smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682446 958255570 /nfs/dbraw/zinc/25/55/70/958255570.db2.gz BOESTUALCGQCDR-JTQLQIEISA-N -1 1 299.773 3.727 20 0 CHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000211415558 959685021 /nfs/dbraw/zinc/68/50/21/959685021.db2.gz IXURNVGDDOLQKX-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM CCC[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228162789 959997333 /nfs/dbraw/zinc/99/73/33/959997333.db2.gz PMOKQZGASHDFOD-HNNXBMFYSA-N -1 1 273.332 3.609 20 0 CHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(Cl)c1 ZINC000683181847 1117842704 /nfs/dbraw/zinc/84/27/04/1117842704.db2.gz NVHQPRWCXBJBPA-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM C[C@@H](c1ccccc1F)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315954744 963958264 /nfs/dbraw/zinc/95/82/64/963958264.db2.gz IRVBPAJBZPEXKH-BLLLJJGKSA-N -1 1 299.345 3.571 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000317348694 970350535 /nfs/dbraw/zinc/35/05/35/970350535.db2.gz ADARMQKOBSIWMW-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1ccc(C[N@@H+](Cc2ccoc2C(=O)[O-])C(C)C)s1 ZINC000567280182 974631992 /nfs/dbraw/zinc/63/19/92/974631992.db2.gz SLXNEKHOAZPPOS-UHFFFAOYSA-N -1 1 293.388 3.758 20 0 CHADMM CC(C)[C@H]1C[C@@H](NCc2cc(C(=O)[O-])co2)c2ccccc21 ZINC001591910343 976317130 /nfs/dbraw/zinc/31/71/30/976317130.db2.gz CODXEHFHLDZDJZ-IAGOWNOFSA-N -1 1 299.370 3.952 20 0 CHADMM C[C@H](c1nc(C(=O)[O-])co1)N(C)C[C@@H](C)C1CCCCC1 ZINC001592578838 978486482 /nfs/dbraw/zinc/48/64/82/978486482.db2.gz HUULCRRNNCSHCD-VXGBXAGGSA-N -1 1 294.395 3.582 20 0 CHADMM CCC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000902072946 980721188 /nfs/dbraw/zinc/72/11/88/980721188.db2.gz WHWBKKSHYHJWCC-HNNXBMFYSA-N -1 1 287.359 3.917 20 0 CHADMM Cc1cc(CN[C@H](C)c2cccc(C)c2C)oc1C(=O)[O-] ZINC000902267862 980808931 /nfs/dbraw/zinc/80/89/31/980808931.db2.gz GMMUXUOLJYEHSX-CYBMUJFWSA-N -1 1 287.359 3.754 20 0 CHADMM CC(C)(C)c1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000902329254 980835480 /nfs/dbraw/zinc/83/54/80/980835480.db2.gz JKMGIQJLOROLGN-UHFFFAOYSA-N -1 1 293.388 3.627 20 0 CHADMM CC1=CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902450263 980892863 /nfs/dbraw/zinc/89/28/63/980892863.db2.gz IZOBNVUMGDLGEX-UHFFFAOYSA-N -1 1 299.292 3.556 20 0 CHADMM CC1(C)C(C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000091492372 1118829340 /nfs/dbraw/zinc/82/93/40/1118829340.db2.gz CSJIEBUUNJSCGL-UHFFFAOYSA-N -1 1 267.756 3.666 20 0 CHADMM CCc1oc(CN2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC001597798608 989369537 /nfs/dbraw/zinc/36/95/37/989369537.db2.gz DGLBEOXZXKPQDL-GFCCVEGCSA-N -1 1 299.370 3.660 20 0 CHADMM CC(C)N(Cc1occc1C(=O)[O-])Cc1cccc(F)c1 ZINC001591600880 992833794 /nfs/dbraw/zinc/83/37/94/992833794.db2.gz YVERMXOGOBCVPG-UHFFFAOYSA-N -1 1 291.322 3.528 20 0 CHADMM C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1cc(C(=O)[O-])co1 ZINC001593234275 994400227 /nfs/dbraw/zinc/40/02/27/994400227.db2.gz XQCIXKLPLCQYIL-OHUAYANFSA-N -1 1 285.343 3.562 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(Cl)c(F)c1 ZINC001175205848 1121208053 /nfs/dbraw/zinc/20/80/53/1121208053.db2.gz VZWLMCFKXABKAZ-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM CCCO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000844084662 1131529188 /nfs/dbraw/zinc/52/91/88/1131529188.db2.gz FKJPCKJLHGUSQM-GFCCVEGCSA-N -1 1 289.297 3.657 20 0 CHADMM [O-]c1cc(Nc2ccc(Cl)cc2O)cc(F)c1F ZINC001214411768 1134536573 /nfs/dbraw/zinc/53/65/73/1134536573.db2.gz LYPXJXJFUHLLOB-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Fc1ccc([N-]c2nonc2C2CC2)c(Cl)c1F ZINC001215401566 1134624503 /nfs/dbraw/zinc/62/45/03/1134624503.db2.gz NOPPTYXNTGVLJN-UHFFFAOYSA-N -1 1 271.654 3.622 20 0 CHADMM CSc1cc(F)cc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001215902856 1134713768 /nfs/dbraw/zinc/71/37/68/1134713768.db2.gz VFCOTBSGAQMLOO-UHFFFAOYSA-N -1 1 297.380 3.509 20 0 CHADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1csc(Cl)c1 ZINC001227383969 1135828271 /nfs/dbraw/zinc/82/82/71/1135828271.db2.gz VAMGLVQLNPGXMC-YFKPBYRVSA-N -1 1 290.772 3.759 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCC12CC2 ZINC000885679862 1125620739 /nfs/dbraw/zinc/62/07/39/1125620739.db2.gz HUHJHGLQKSDRIP-MRVPVSSYSA-N -1 1 283.730 3.704 20 0 CHADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)C(C)(C)O1 ZINC000887296646 1125787190 /nfs/dbraw/zinc/78/71/90/1125787190.db2.gz IJTMECFMDPUBPT-GXTWGEPZSA-N -1 1 292.423 3.501 20 0 CHADMM CC(C)(CCNC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000819149547 1131233166 /nfs/dbraw/zinc/23/31/66/1131233166.db2.gz IBINFGYNYXJXSQ-UHFFFAOYSA-N -1 1 281.783 3.602 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001202767677 1126772727 /nfs/dbraw/zinc/77/27/27/1126772727.db2.gz JDZJOCVUOAZUTG-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CCC[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908712724 1127013080 /nfs/dbraw/zinc/01/30/80/1127013080.db2.gz KVEVCIDARXZBBN-QMMMGPOBSA-N -1 1 286.169 3.529 20 0 CHADMM CCC[C@@](C)(CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986220 1127042421 /nfs/dbraw/zinc/04/24/21/1127042421.db2.gz DACLWQFHLVECTO-CQSZACIVSA-N -1 1 271.307 3.825 20 0 CHADMM CCCC(C)(C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986205 1127042443 /nfs/dbraw/zinc/04/24/43/1127042443.db2.gz CPUIABHFJPKBKI-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM CC(C)(CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986072 1127075915 /nfs/dbraw/zinc/07/59/15/1127075915.db2.gz HJYKXTQEKWHHNJ-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM CC(C)[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668864927 1127079925 /nfs/dbraw/zinc/07/99/25/1127079925.db2.gz NTKZHTPGDRBEDL-HNNXBMFYSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1cc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])ccc1O ZINC000913527846 1127136220 /nfs/dbraw/zinc/13/62/20/1127136220.db2.gz ATLNNCSSWDJOAT-UHFFFAOYSA-N -1 1 299.370 3.806 20 0 CHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C)CCC2)c1 ZINC000351575932 1127195191 /nfs/dbraw/zinc/19/51/91/1127195191.db2.gz VCDWZDJXHGPDSP-UHFFFAOYSA-N -1 1 298.180 3.592 20 0 CHADMM CCN(Cc1ccoc1)Cc1cccc([O-])c1Cl ZINC000646071557 1127213898 /nfs/dbraw/zinc/21/38/98/1127213898.db2.gz RODWXFILCZGOCR-UHFFFAOYSA-N -1 1 265.740 3.661 20 0 CHADMM [O-]c1c(F)cc(CN2CCCC3(CCC3)C2)cc1Cl ZINC001237996217 1131159683 /nfs/dbraw/zinc/15/96/83/1131159683.db2.gz XJYJCWMCNQKKGC-UHFFFAOYSA-N -1 1 283.774 3.951 20 0 CHADMM CC(C)CCC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306151 1127252413 /nfs/dbraw/zinc/25/24/13/1127252413.db2.gz OZYSTHHQPSWRSD-LLVKDONJSA-N -1 1 283.799 3.990 20 0 CHADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289101570 1127373724 /nfs/dbraw/zinc/37/37/24/1127373724.db2.gz CCFXERBMLDZCLW-QWRGUYRKSA-N -1 1 297.345 3.615 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@H](C)C1 ZINC000359273004 1127456033 /nfs/dbraw/zinc/45/60/33/1127456033.db2.gz ZKMUFZFNJKTCIL-DZGCQCFKSA-N -1 1 290.407 3.608 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C1CC1 ZINC000362014433 1127606367 /nfs/dbraw/zinc/60/63/67/1127606367.db2.gz TXEVRYOMYNZLPB-MRXNPFEDSA-N -1 1 281.355 3.560 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1ccco1 ZINC000362189058 1127618325 /nfs/dbraw/zinc/61/83/25/1127618325.db2.gz VFQTUPCMOPWRIS-UHFFFAOYSA-N -1 1 265.309 3.783 20 0 CHADMM C[C@]1(F)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000295489191 1127644798 /nfs/dbraw/zinc/64/47/98/1127644798.db2.gz JFYMGGNCKUQLGU-KRWDZBQOSA-N -1 1 287.334 3.510 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C(F)(F)F)CCC1 ZINC000295611203 1127648454 /nfs/dbraw/zinc/64/84/54/1127648454.db2.gz VIBQBXDRLRPTHO-UHFFFAOYSA-N -1 1 293.672 3.717 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)ccc1F ZINC000605440443 1127737172 /nfs/dbraw/zinc/73/71/72/1127737172.db2.gz RQDDRDHCEJKPKE-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CC(C)c1nc(=NCCCCCOC2CCCCC2)o[n-]1 ZINC000605694013 1127746618 /nfs/dbraw/zinc/74/66/18/1127746618.db2.gz DFDXGFXYRBVRIZ-UHFFFAOYSA-N -1 1 295.427 3.546 20 0 CHADMM [O-]c1cccc(CN2CCC[C@@H](F)C(F)(F)C2)c1Cl ZINC001232784749 1127853220 /nfs/dbraw/zinc/85/32/20/1127853220.db2.gz SWHNFVIPZOXSFI-LLVKDONJSA-N -1 1 293.716 3.615 20 0 CHADMM CC[C@H](CC(=O)Nc1c([O-])cccc1F)C(C)C ZINC000608366366 1127862325 /nfs/dbraw/zinc/86/23/25/1127862325.db2.gz SWYYJBVBBDTAAA-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM CC[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001298058373 1127973043 /nfs/dbraw/zinc/97/30/43/1127973043.db2.gz IHRAYXUWGXCWNJ-QWHCGFSZSA-N -1 1 295.810 3.531 20 0 CHADMM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000669940736 1128079180 /nfs/dbraw/zinc/07/91/80/1128079180.db2.gz HXVKZILQBPMTCC-NSHDSACASA-N -1 1 279.355 3.572 20 0 CHADMM COc1ccc(/C=C\C(=O)c2cc(C)ccc2[O-])cc1 ZINC000032171407 1128236199 /nfs/dbraw/zinc/23/61/99/1128236199.db2.gz SPPILPVAQGFXJM-POHAHGRESA-N -1 1 268.312 3.605 20 0 CHADMM COc1cccc([C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000561815342 1128354994 /nfs/dbraw/zinc/35/49/94/1128354994.db2.gz SJMJCQXHTKTMJP-LLVKDONJSA-N -1 1 290.388 3.661 20 0 CHADMM CCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCCC1 ZINC000561988040 1128369231 /nfs/dbraw/zinc/36/92/31/1128369231.db2.gz PSSVVPAMBWNUCW-UHFFFAOYSA-N -1 1 297.345 3.761 20 0 CHADMM CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000763388353 1128431034 /nfs/dbraw/zinc/43/10/34/1128431034.db2.gz VLYGWSPFNJYLDW-UHFFFAOYSA-N -1 1 289.762 3.708 20 0 CHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000124655967 1128445349 /nfs/dbraw/zinc/44/53/49/1128445349.db2.gz ATAQCYHNYKZTPI-GXTWGEPZSA-N -1 1 283.371 3.949 20 0 CHADMM CN(CC1CCCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000070158374 1128558529 /nfs/dbraw/zinc/55/85/29/1128558529.db2.gz RHYHGMBOLSUHIW-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000129652872 1128546685 /nfs/dbraw/zinc/54/66/85/1128546685.db2.gz HPVGZJMCYNWVGA-CMPLNLGQSA-N -1 1 297.782 3.579 20 0 CHADMM C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000070410756 1128563321 /nfs/dbraw/zinc/56/33/21/1128563321.db2.gz BGXPBSJEMMOBEH-CYBMUJFWSA-N -1 1 283.371 3.950 20 0 CHADMM CCc1nc(SC[C@@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000567628068 1128568855 /nfs/dbraw/zinc/56/88/55/1128568855.db2.gz IQPFUSSNPBXSFB-VIFPVBQESA-N -1 1 288.363 3.581 20 0 CHADMM CCc1nc(SCc2ccccc2Cl)[n-]c(=O)c1C ZINC000570739625 1128631144 /nfs/dbraw/zinc/63/11/44/1128631144.db2.gz DCBMMERAPBLMNX-UHFFFAOYSA-N -1 1 294.807 3.999 20 0 CHADMM Cc1ccncc1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000572930645 1128649567 /nfs/dbraw/zinc/64/95/67/1128649567.db2.gz QDGZVVYYOXCJEI-UHFFFAOYSA-N -1 1 292.338 3.525 20 0 CHADMM Cc1cccc(Cl)c1CC(=O)Nc1c([O-])cccc1F ZINC000683114538 1117774133 /nfs/dbraw/zinc/77/41/33/1117774133.db2.gz JPJGEXZOOCPZHV-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402389 1117820134 /nfs/dbraw/zinc/82/01/34/1117820134.db2.gz XLJHJKAVRUBGMF-CMDGGOBGSA-N -1 1 267.756 3.977 20 0 CHADMM Cc1cnc(F)c([N-]c2nc3ccc(F)cc3o2)c1 ZINC001211493527 1117848187 /nfs/dbraw/zinc/84/81/87/1117848187.db2.gz AXDZBQIRHOEEQE-UHFFFAOYSA-N -1 1 261.231 3.553 20 0 CHADMM CCCCc1oc2ccccc2c1CN(CC)CC(=O)[O-] ZINC000901427060 1128741288 /nfs/dbraw/zinc/74/12/88/1128741288.db2.gz ZXANLKXUHNOAKJ-UHFFFAOYSA-N -1 1 289.375 3.682 20 0 CHADMM CCCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000655238874 1117919644 /nfs/dbraw/zinc/91/96/44/1117919644.db2.gz MVXSWUGFIRPMIS-UHFFFAOYSA-N -1 1 289.297 3.672 20 0 CHADMM Cc1ccc(-c2ncc(C(=O)[N-]c3cnoc3)s2)c(C)c1 ZINC000623938855 1117958226 /nfs/dbraw/zinc/95/82/26/1117958226.db2.gz MLPOZEMAQXZGOU-UHFFFAOYSA-N -1 1 299.355 3.667 20 0 CHADMM CCCN(C(=O)c1cncc([O-])c1)[C@@H](CC)c1ccccc1 ZINC000339833459 1117982094 /nfs/dbraw/zinc/98/20/94/1117982094.db2.gz HRRIHHBYGVWPQK-KRWDZBQOSA-N -1 1 298.386 3.791 20 0 CHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1c1ccsc1 ZINC001625853697 1118046612 /nfs/dbraw/zinc/04/66/12/1118046612.db2.gz CHSYCZAVMSAZSZ-LBPRGKRZSA-N -1 1 291.347 3.570 20 0 CHADMM Cc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1O ZINC001209975227 1118124633 /nfs/dbraw/zinc/12/46/33/1118124633.db2.gz LVHIYLAWHNDCPG-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1cccs1 ZINC000051361599 1118221358 /nfs/dbraw/zinc/22/13/58/1118221358.db2.gz FCPXYJIZGURKHR-VIFPVBQESA-N -1 1 279.361 3.541 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(-n2cccc2)c1 ZINC001648847801 1118253637 /nfs/dbraw/zinc/25/36/37/1118253637.db2.gz VUSUCBAWDGRNER-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM Cc1cc(F)cc(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001648851179 1118257829 /nfs/dbraw/zinc/25/78/29/1118257829.db2.gz XQZXPYJILSXRFQ-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cccc2cccc(O)c21 ZINC001648851086 1118258149 /nfs/dbraw/zinc/25/81/49/1118258149.db2.gz UNWZBTSKWCVTQM-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000683668746 1118270192 /nfs/dbraw/zinc/27/01/92/1118270192.db2.gz ILRCTSASQNOJAP-AWEZNQCLSA-N -1 1 299.345 3.931 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000075913492 1118282553 /nfs/dbraw/zinc/28/25/53/1118282553.db2.gz AEPBZLYNMZBVRC-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM CC(C)OCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000063816242 1118321677 /nfs/dbraw/zinc/32/16/77/1118321677.db2.gz UHMJILGNQBJQGR-UHFFFAOYSA-N -1 1 285.343 3.570 20 0 CHADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000616104646 1128776369 /nfs/dbraw/zinc/77/63/69/1128776369.db2.gz BXKUZKALUJJBBY-QWHCGFSZSA-N -1 1 298.386 3.591 20 0 CHADMM CCc1c(C)sc([N-]c2nccs2)c1C(=O)OC ZINC001210989481 1118435442 /nfs/dbraw/zinc/43/54/42/1118435442.db2.gz IZXKOIPPMPAYHL-UHFFFAOYSA-N -1 1 282.390 3.606 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655364101 1118469426 /nfs/dbraw/zinc/46/94/26/1118469426.db2.gz ZFMKOUBWENXYDW-CQSZACIVSA-N -1 1 291.366 3.716 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3cccnc3c2)cc1F ZINC001211340049 1118505553 /nfs/dbraw/zinc/50/55/53/1118505553.db2.gz RZHZXEBLSUWTBA-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3ncccc32)cc1F ZINC001211350889 1118506367 /nfs/dbraw/zinc/50/63/67/1118506367.db2.gz XEYHBFJZNLZHSZ-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3[nH]c(=S)[nH]c3c2)cc1F ZINC001211351827 1118507450 /nfs/dbraw/zinc/50/74/50/1118507450.db2.gz FARARJIQJKAGNZ-UHFFFAOYSA-N -1 1 278.283 3.502 20 0 CHADMM [O-]c1c(F)cccc1-c1cccnc1C(F)(F)F ZINC000706765039 1118520563 /nfs/dbraw/zinc/52/05/63/1118520563.db2.gz LYWFEDXUMJCPSA-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM CCCC[C@@H](CC)C(=O)Nc1c([O-])cccc1F ZINC000684163649 1118548571 /nfs/dbraw/zinc/54/85/71/1118548571.db2.gz SNGYNAIMFBLTFW-SNVBAGLBSA-N -1 1 253.317 3.686 20 0 CHADMM CC(C)=CCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000657260476 1118942002 /nfs/dbraw/zinc/94/20/02/1118942002.db2.gz ZEGMWMKIYVUKKJ-UHFFFAOYSA-N -1 1 260.309 3.568 20 0 CHADMM CCc1nc(SC[C@H](C)c2ccccc2)[n-]c(=O)c1C ZINC000657264959 1118944601 /nfs/dbraw/zinc/94/46/01/1118944601.db2.gz VMIVNZFYZSLDSG-NSHDSACASA-N -1 1 288.416 3.949 20 0 CHADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876192 1119085249 /nfs/dbraw/zinc/08/52/49/1119085249.db2.gz QBTJVJWVHKVHBX-BDAKNGLRSA-N -1 1 289.297 3.575 20 0 CHADMM CCC(C)(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000342668656 1119119844 /nfs/dbraw/zinc/11/98/44/1119119844.db2.gz NXXCZVZHJJSLTR-UHFFFAOYSA-N -1 1 287.363 3.547 20 0 CHADMM Cc1cnc(S[C@H]2CCCc3ccccc32)[n-]c1=O ZINC000583511219 1119370335 /nfs/dbraw/zinc/37/03/35/1119370335.db2.gz UPCKKBKXOJRKRY-ZDUSSCGKSA-N -1 1 272.373 3.660 20 0 CHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599134 1119417684 /nfs/dbraw/zinc/41/76/84/1119417684.db2.gz BPXNFJDEEVBZQQ-UHFFFAOYSA-N -1 1 299.305 3.532 20 0 CHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C(=O)[O-])cc1C ZINC001211620767 1119575090 /nfs/dbraw/zinc/57/50/90/1119575090.db2.gz FPKALURNKVBRJL-UHFFFAOYSA-N -1 1 299.305 3.532 20 0 CHADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685435748 1119606774 /nfs/dbraw/zinc/60/67/74/1119606774.db2.gz VTRYXRYMLHFPPS-WDEREUQCSA-N -1 1 297.345 3.617 20 0 CHADMM Cc1occc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000181283006 1128860022 /nfs/dbraw/zinc/86/00/22/1128860022.db2.gz DRVXRJPUNLXANL-UHFFFAOYSA-N -1 1 288.324 3.692 20 0 CHADMM O=C(Nc1cccc(O)c1)c1cc2ccccc2cc1[O-] ZINC000002379417 1119747785 /nfs/dbraw/zinc/74/77/85/1119747785.db2.gz ZLPDIQADHBAPKL-UHFFFAOYSA-N -1 1 279.295 3.503 20 0 CHADMM CCC1(CC)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612200944 1119748374 /nfs/dbraw/zinc/74/83/74/1119748374.db2.gz CISJDPDXMMKYFH-UHFFFAOYSA-N -1 1 298.386 3.593 20 0 CHADMM CC1(C)CCN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000685863804 1119891864 /nfs/dbraw/zinc/89/18/64/1119891864.db2.gz HRKDQAOQCBNLOY-UHFFFAOYSA-N -1 1 299.345 3.859 20 0 CHADMM CC(C)(C)c1nnc([N-]c2ccc3c(c2)CCCC3=O)o1 ZINC001213100998 1119947819 /nfs/dbraw/zinc/94/78/19/1119947819.db2.gz ALMABTBCTZHERG-UHFFFAOYSA-N -1 1 285.347 3.630 20 0 CHADMM CCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000085204514 1120046415 /nfs/dbraw/zinc/04/64/15/1120046415.db2.gz CVQMLACYCGGBFQ-UHFFFAOYSA-N -1 1 281.764 3.922 20 0 CHADMM Cc1csc([C@@H](C)NCc2cccc([O-])c2Cl)n1 ZINC000336897727 1129234619 /nfs/dbraw/zinc/23/46/19/1129234619.db2.gz PLTGZDCBZNBMTR-SECBINFHSA-N -1 1 282.796 3.661 20 0 CHADMM [O-]c1c(F)cc(CN2CC[C@@H]2c2ccccc2)cc1F ZINC001140990577 1120165093 /nfs/dbraw/zinc/16/50/93/1120165093.db2.gz HUKIQDCJAHCBOF-OAHLLOKOSA-N -1 1 275.298 3.617 20 0 CHADMM N#CC(=C([O-])C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988312 1128896455 /nfs/dbraw/zinc/89/64/55/1128896455.db2.gz ZIGUWWZIZODZJO-AWEZNQCLSA-N -1 1 291.354 3.697 20 0 CHADMM CC(C)(C)CCc1noc(-c2ccc([O-])cc2F)n1 ZINC000387590574 1120191947 /nfs/dbraw/zinc/19/19/47/1120191947.db2.gz HWXKKGRSXKPTQA-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM Cc1cnc(S[C@H](C)CCc2ccccc2)[n-]c1=O ZINC000565240696 1120207137 /nfs/dbraw/zinc/20/71/37/1120207137.db2.gz BFPSQOJOVRJECG-GFCCVEGCSA-N -1 1 274.389 3.604 20 0 CHADMM Nc1ccc(Cl)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001212437778 1120216951 /nfs/dbraw/zinc/21/69/51/1120216951.db2.gz SXQLHLOCHIALRR-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2ccccc2-c2ccccc2)S1 ZINC000115661935 1120234687 /nfs/dbraw/zinc/23/46/87/1120234687.db2.gz SVAYYQDNKOKQHP-UVTDQMKNSA-N -1 1 281.336 3.678 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc(Cl)c1 ZINC001625894009 1120234960 /nfs/dbraw/zinc/23/49/60/1120234960.db2.gz OCPQCINNACQIRT-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cc1cnc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)s1 ZINC000416412636 1120329121 /nfs/dbraw/zinc/32/91/21/1120329121.db2.gz NQCHVAAZLXYVDT-UHFFFAOYSA-N -1 1 285.372 3.891 20 0 CHADMM Cc1cnc([C@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000631024212 1120504271 /nfs/dbraw/zinc/50/42/71/1120504271.db2.gz OYJAXYXKQRNJFI-VIFPVBQESA-N -1 1 291.376 3.518 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2n[nH]cc2c1 ZINC000191371559 1128921062 /nfs/dbraw/zinc/92/10/62/1128921062.db2.gz ZVZDGYBCZQFKBT-UHFFFAOYSA-N -1 1 291.713 3.673 20 0 CHADMM CC(C)(C)c1coc(CNCc2ccc([O-])c(Cl)c2)n1 ZINC000922328873 1120514348 /nfs/dbraw/zinc/51/43/48/1120514348.db2.gz VFSALMZZDRREAE-UHFFFAOYSA-N -1 1 294.782 3.621 20 0 CHADMM CN(CCC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000399827631 1120543893 /nfs/dbraw/zinc/54/38/93/1120543893.db2.gz WFURRSWFQXSKGH-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM CCO[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000901535201 1128928033 /nfs/dbraw/zinc/92/80/33/1128928033.db2.gz NQFQVUTXEKVFOY-NSHDSACASA-N -1 1 290.388 3.632 20 0 CHADMM COCc1ccc(SCC(=O)c2ccc([O-])cc2)cc1 ZINC000673891395 1120689002 /nfs/dbraw/zinc/68/90/02/1120689002.db2.gz LDZHFTBRADMPIT-UHFFFAOYSA-N -1 1 288.368 3.514 20 0 CHADMM Cc1cc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c(C)s1 ZINC000132871880 1120702113 /nfs/dbraw/zinc/70/21/13/1120702113.db2.gz JJPVIDCSFZRWKW-VIFPVBQESA-N -1 1 293.363 3.701 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC=CCCC1 ZINC000909373393 1120800628 /nfs/dbraw/zinc/80/06/28/1120800628.db2.gz XJYNICTYWYDZOI-SNVBAGLBSA-N -1 1 281.302 3.745 20 0 CHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000662032686 1120861166 /nfs/dbraw/zinc/86/11/66/1120861166.db2.gz DZWIRIDKJPHZDF-GFCCVEGCSA-N -1 1 283.371 3.949 20 0 CHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC12CCCC2 ZINC000652568485 1120885654 /nfs/dbraw/zinc/88/56/54/1120885654.db2.gz GJSPAQVENRPRHP-UHFFFAOYSA-N -1 1 299.292 3.570 20 0 CHADMM [O-]c1cc(Nc2cccc(O)c2)c(F)cc1Cl ZINC001174893628 1121081983 /nfs/dbraw/zinc/08/19/83/1121081983.db2.gz JVZGENHLDBSLNQ-UHFFFAOYSA-N -1 1 253.660 3.634 20 0 CHADMM COc1cccc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001174994610 1121122091 /nfs/dbraw/zinc/12/20/91/1121122091.db2.gz USIAUFSWMZZDRT-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Fc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1F ZINC001175025949 1121143852 /nfs/dbraw/zinc/14/38/52/1121143852.db2.gz OQTJYCSORXIFFQ-UHFFFAOYSA-N -1 1 282.143 3.854 20 0 CHADMM Fc1ccc(F)c([N-]c2cc(-c3ccccn3)no2)c1F ZINC001175026808 1121148749 /nfs/dbraw/zinc/14/87/49/1121148749.db2.gz ZNDZLYRAQRTZBR-UHFFFAOYSA-N -1 1 291.232 3.898 20 0 CHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc(O)cc1 ZINC001175046311 1121158536 /nfs/dbraw/zinc/15/85/36/1121158536.db2.gz QHWLQKSQMQAELP-UHFFFAOYSA-N -1 1 298.111 3.743 20 0 CHADMM Fc1ccc([N-]c2nonc2C2CC2)c(C(F)(F)F)c1 ZINC001175100954 1121164668 /nfs/dbraw/zinc/16/46/68/1121164668.db2.gz JNFCGKVQCQUWGZ-UHFFFAOYSA-N -1 1 287.216 3.849 20 0 CHADMM Cc1nsc([N-]c2cccc(C(F)(F)F)c2F)n1 ZINC001175132344 1121196407 /nfs/dbraw/zinc/19/64/07/1121196407.db2.gz OFPKPGWESAEQGP-UHFFFAOYSA-N -1 1 277.246 3.748 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1c1ccccc1 ZINC000436532928 1121228407 /nfs/dbraw/zinc/22/84/07/1121228407.db2.gz YKFCTEMQHSMXBG-QGZVFWFLSA-N -1 1 299.345 3.899 20 0 CHADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1 ZINC001175324295 1121282998 /nfs/dbraw/zinc/28/29/98/1121282998.db2.gz QPHYLIGPBVTHDP-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1c([O-])cccc1F ZINC000675522747 1121323730 /nfs/dbraw/zinc/32/37/30/1121323730.db2.gz CZBMTPHOWDLKSG-LLVKDONJSA-N -1 1 295.354 3.598 20 0 CHADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)c(Cl)c1 ZINC000675600979 1121328652 /nfs/dbraw/zinc/32/86/52/1121328652.db2.gz PPNJDGGSIWQZJR-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cccc(CO)c1 ZINC001175512423 1121355111 /nfs/dbraw/zinc/35/51/11/1121355111.db2.gz CAPLVIXWBQPPTC-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2occc2s1 ZINC000676056322 1121399946 /nfs/dbraw/zinc/39/99/46/1121399946.db2.gz XYMIVHGQNMVCGS-UHFFFAOYSA-N -1 1 277.276 3.591 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cnn(C3CCC3)c2)n1 ZINC001175754597 1121452500 /nfs/dbraw/zinc/45/25/00/1121452500.db2.gz JCQRCTGCVLBRJO-UHFFFAOYSA-N -1 1 277.397 3.501 20 0 CHADMM CCCc1c(C)[n-]n(-c2cccc(Br)c2)c1=O ZINC000614184645 1121510043 /nfs/dbraw/zinc/51/00/43/1121510043.db2.gz BQKSWZWRPHLGKZ-LBPRGKRZSA-N -1 1 295.180 3.588 20 0 CHADMM CCCc1c(C)[n-]n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000614188429 1121517909 /nfs/dbraw/zinc/51/79/09/1121517909.db2.gz BRAFOMJQDDYRTJ-ZDUSSCGKSA-N -1 1 298.308 3.840 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])c(F)c2)c(F)cc1F ZINC001176110238 1121553502 /nfs/dbraw/zinc/55/35/02/1121553502.db2.gz ZJQULRVPLIXCRG-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@@H]1CCC(C)(C)C1 ZINC000614288583 1121600459 /nfs/dbraw/zinc/60/04/59/1121600459.db2.gz SDNNDJCGQFTZBA-CYBMUJFWSA-N -1 1 298.386 3.591 20 0 CHADMM Oc1ccc2cc([N-]c3nnc(-c4ccco4)o3)ccc2c1 ZINC001176386038 1121608489 /nfs/dbraw/zinc/60/84/89/1121608489.db2.gz BBBMVGDKGDKZJX-UHFFFAOYSA-N -1 1 293.282 3.932 20 0 CHADMM Cc1cc(Cl)nc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663622 1121669671 /nfs/dbraw/zinc/66/96/71/1121669671.db2.gz GOXRKMUTOQDQOG-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM Cc1cnc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663501 1121669756 /nfs/dbraw/zinc/66/97/56/1121669756.db2.gz HFUFSDYVHHIVQN-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176670098 1121670883 /nfs/dbraw/zinc/67/08/83/1121670883.db2.gz RBPPSIFHHPHMNH-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1nc(Cl)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664606 1121671081 /nfs/dbraw/zinc/67/10/81/1121671081.db2.gz RVQHYVWUSJPJCL-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM CSc1cc(Nc2c(F)cc(F)c([O-])c2F)ccn1 ZINC001176669130 1121671358 /nfs/dbraw/zinc/67/13/58/1121671358.db2.gz DRXNFGVFNMRWSP-UHFFFAOYSA-N -1 1 286.278 3.670 20 0 CHADMM C[C@H](O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670525 1121671569 /nfs/dbraw/zinc/67/15/69/1121671569.db2.gz XNNQLMNKLIEPKZ-ZETCQYMHSA-N -1 1 283.249 3.606 20 0 CHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C)c1 ZINC001176669664 1121671806 /nfs/dbraw/zinc/67/18/06/1121671806.db2.gz JQZSOQNLNQZDRP-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM CCOc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176672846 1121672570 /nfs/dbraw/zinc/67/25/70/1121672570.db2.gz LHWHYXACEMBQKZ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCc1ccc(O)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672497 1121673317 /nfs/dbraw/zinc/67/33/17/1121673317.db2.gz YHGOLHPDFUUFEE-UHFFFAOYSA-N -1 1 283.249 3.821 20 0 CHADMM Cc1nc(Nc2c(F)cc(F)c([O-])c2F)sc1C ZINC001176662405 1121678770 /nfs/dbraw/zinc/67/87/70/1121678770.db2.gz OOFKUDABRKJPIU-UHFFFAOYSA-N -1 1 274.267 3.626 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(C2CCC2)n1 ZINC001176662837 1121678867 /nfs/dbraw/zinc/67/88/67/1121678867.db2.gz ADEWTTYJPBZKHF-UHFFFAOYSA-N -1 1 297.280 3.783 20 0 CHADMM CC(C)Oc1ncccc1Nc1c([O-])cc(F)cc1F ZINC001176732338 1121684632 /nfs/dbraw/zinc/68/46/32/1121684632.db2.gz ODMUYEOOLJQJLV-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM COCOc1ccc(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001176720756 1121692968 /nfs/dbraw/zinc/69/29/68/1121692968.db2.gz YXKFYPAYBIKTHF-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CCc1ccc([C@@H](C)C(=O)[N-]OCc2ccccc2)cc1 ZINC000727728467 1121737010 /nfs/dbraw/zinc/73/70/10/1121737010.db2.gz OZZNVTZLVJXMAW-CQSZACIVSA-N -1 1 283.371 3.601 20 0 CHADMM CCCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(OC)cc1 ZINC000729372108 1121784131 /nfs/dbraw/zinc/78/41/31/1121784131.db2.gz OJFMDOVXBWWWBE-GFCCVEGCSA-N -1 1 289.297 3.605 20 0 CHADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2CC)c1 ZINC000433805018 1121812736 /nfs/dbraw/zinc/81/27/36/1121812736.db2.gz KQEUJYXUFKOCMG-UHFFFAOYSA-N -1 1 289.400 3.612 20 0 CHADMM Clc1cc2[n-]c(OC3CCCC3)nc2c(Cl)n1 ZINC001231044528 1121948201 /nfs/dbraw/zinc/94/82/01/1121948201.db2.gz JWGOEJGDGQHONS-UHFFFAOYSA-N -1 1 272.135 3.586 20 0 CHADMM Clc1cc2nc(OC3CCCC3)[n-]c2c(Cl)n1 ZINC001231044528 1121948206 /nfs/dbraw/zinc/94/82/06/1121948206.db2.gz JWGOEJGDGQHONS-UHFFFAOYSA-N -1 1 272.135 3.586 20 0 CHADMM O=c1[nH]ccc(Nc2cc(Cl)c([O-])cc2F)c1Cl ZINC001250023467 1122085145 /nfs/dbraw/zinc/08/51/45/1122085145.db2.gz KOBXADWJOCBCIR-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM Cc1cc(N)c(Nc2cc(Cl)c([O-])cc2F)cc1F ZINC001250023870 1122086012 /nfs/dbraw/zinc/08/60/12/1122086012.db2.gz FYPLGAZWMKUZKT-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001185258061 1122329342 /nfs/dbraw/zinc/32/93/42/1122329342.db2.gz MXKHVVFXIZRRIU-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cn1nc(C(C)(C)C)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250228985 1122374691 /nfs/dbraw/zinc/37/46/91/1122374691.db2.gz RJWHSYZRYGHUKG-UHFFFAOYSA-N -1 1 297.761 3.959 20 0 CHADMM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC001186234602 1122380549 /nfs/dbraw/zinc/38/05/49/1122380549.db2.gz VXIBXCMWGBIMCD-BMIGLBTASA-N -1 1 285.318 3.510 20 0 CHADMM O=C(Nc1cccc2cc(O)ccc21)c1ccc([O-])cc1F ZINC001186328518 1122382715 /nfs/dbraw/zinc/38/27/15/1122382715.db2.gz FJWNPYWXGJERHS-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM Cc1ccc(Nc2c(F)ccc([O-])c2Cl)cc1CO ZINC001250236033 1122385058 /nfs/dbraw/zinc/38/50/58/1122385058.db2.gz FOTHZLAYYCBLNW-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM Clc1ccccc1-c1cc([N-]c2cnoc2)on1 ZINC001203233182 1122448397 /nfs/dbraw/zinc/44/83/97/1122448397.db2.gz RZBNVKZTUIGSQM-UHFFFAOYSA-N -1 1 261.668 3.727 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1F ZINC001187989766 1122449412 /nfs/dbraw/zinc/44/94/12/1122449412.db2.gz NWXVIEDLQHVDAK-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cc(C)c(NC(=O)c2nc(C(F)(F)F)c[n-]2)cc1C ZINC001188289644 1122460077 /nfs/dbraw/zinc/46/00/77/1122460077.db2.gz ZWAFNAUEJMUCGF-UHFFFAOYSA-N -1 1 297.280 3.606 20 0 CHADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H]1CCC(C)(C)C1 ZINC000632818073 1129056413 /nfs/dbraw/zinc/05/64/13/1129056413.db2.gz QCVSTJFSRUEGJT-LBPRGKRZSA-N -1 1 295.810 3.625 20 0 CHADMM Cc1nc(S[C@@H](C)c2c(F)cccc2F)[n-]c(=O)c1C ZINC001189061474 1122488540 /nfs/dbraw/zinc/48/85/40/1122488540.db2.gz PDEXMIRSCSLGBX-VIFPVBQESA-N -1 1 296.342 3.931 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001189061786 1122488602 /nfs/dbraw/zinc/48/86/02/1122488602.db2.gz VKQCBAMUDLSOOJ-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CCC(CC)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC001189892968 1122518961 /nfs/dbraw/zinc/51/89/61/1122518961.db2.gz XKWLGBFKFVKQMK-UHFFFAOYSA-N -1 1 266.410 3.896 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000436474914 1122553834 /nfs/dbraw/zinc/55/38/34/1122553834.db2.gz ADCMFALFUBLRIR-UHFFFAOYSA-N -1 1 293.775 3.784 20 0 CHADMM CCC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436590706 1122563975 /nfs/dbraw/zinc/56/39/75/1122563975.db2.gz ZPWZYTJVPCJEGA-LLVKDONJSA-N -1 1 281.783 3.698 20 0 CHADMM CCCCC[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436606932 1122565655 /nfs/dbraw/zinc/56/56/55/1122565655.db2.gz RHCVNRJQXZUEMV-CYBMUJFWSA-N -1 1 279.355 3.716 20 0 CHADMM Cc1cccc(CNC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001190998878 1122566130 /nfs/dbraw/zinc/56/61/30/1122566130.db2.gz SLBSNTPZNXQUBH-UHFFFAOYSA-N -1 1 290.750 3.676 20 0 CHADMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([O-])cc1F ZINC000436704218 1122574186 /nfs/dbraw/zinc/57/41/86/1122574186.db2.gz JKXNVKKLFDNIFQ-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1 ZINC000436705536 1122574214 /nfs/dbraw/zinc/57/42/14/1122574214.db2.gz PCHXTPSJPLQVOV-MEDUHNTESA-N -1 1 293.794 3.698 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000436722767 1122575925 /nfs/dbraw/zinc/57/59/25/1122575925.db2.gz PJSIJVDHGLKJET-AWEZNQCLSA-N -1 1 295.382 3.808 20 0 CHADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])cc1F)CCC2 ZINC000436729704 1122576828 /nfs/dbraw/zinc/57/68/28/1122576828.db2.gz BOSGUKAJDNJSLO-QGZVFWFLSA-N -1 1 299.345 3.647 20 0 CHADMM CC[C@@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763947 1122578787 /nfs/dbraw/zinc/57/87/87/1122578787.db2.gz NUOMATOILZRDKE-SECBINFHSA-N -1 1 289.297 3.529 20 0 CHADMM CC(C)c1ccc(C(=O)N2CCOc3ccccc32)c([O-])c1 ZINC000436757212 1122580252 /nfs/dbraw/zinc/58/02/52/1122580252.db2.gz UDFFMNPKINHEDE-UHFFFAOYSA-N -1 1 297.354 3.555 20 0 CHADMM O=C(Nc1cc(F)c(F)cc1[O-])NC1CCCCCC1 ZINC001191269939 1122587803 /nfs/dbraw/zinc/58/78/03/1122587803.db2.gz CPFLYSCFNHQPHG-UHFFFAOYSA-N -1 1 284.306 3.515 20 0 CHADMM [O-]c1ccc(-c2noc(-c3csc(Cl)c3)n2)cc1F ZINC000436871259 1122589678 /nfs/dbraw/zinc/58/96/78/1122589678.db2.gz GUVWITJDYNWBJM-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM C[C@@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436873164 1122590323 /nfs/dbraw/zinc/59/03/23/1122590323.db2.gz MATBYUUXNMENDL-NXEZZACHSA-N -1 1 276.311 3.560 20 0 CHADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000436878719 1122590833 /nfs/dbraw/zinc/59/08/33/1122590833.db2.gz HGYWKQUUGRQGBE-QGZVFWFLSA-N -1 1 299.345 3.817 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436882056 1122591443 /nfs/dbraw/zinc/59/14/43/1122591443.db2.gz ZYYPCZOSCRCCNO-JTQLQIEISA-N -1 1 284.290 3.733 20 0 CHADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881223 1122591459 /nfs/dbraw/zinc/59/14/59/1122591459.db2.gz RKBGHWVFXPVRBF-AXAPSJFSSA-N -1 1 293.382 3.722 20 0 CHADMM Cc1oc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2c1C ZINC000436943357 1122597723 /nfs/dbraw/zinc/59/77/23/1122597723.db2.gz LVCUXDXCHGBCFJ-UHFFFAOYSA-N -1 1 297.310 3.713 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001191411086 1122598091 /nfs/dbraw/zinc/59/80/91/1122598091.db2.gz ZIYNSOOSHKLIIB-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CC(C)(C)c1ccc(C(=O)Nc2ccccc2O)c([O-])c1 ZINC001192322492 1122638823 /nfs/dbraw/zinc/63/88/23/1122638823.db2.gz AVPLRUFCPHOKGQ-UHFFFAOYSA-N -1 1 285.343 3.648 20 0 CHADMM C[C@@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC001192553261 1122651083 /nfs/dbraw/zinc/65/10/83/1122651083.db2.gz ZGDYWRDYIGXFTB-ZJUUUORDSA-N -1 1 297.345 3.615 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N(CCC1CC1)CC1CC1 ZINC000620628613 1129068965 /nfs/dbraw/zinc/06/89/65/1129068965.db2.gz HBNLHNRPAJBPLC-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CC(C)CCC[C@@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192678422 1122654873 /nfs/dbraw/zinc/65/48/73/1122654873.db2.gz AMIULGFJEQXWBF-SNVBAGLBSA-N -1 1 285.334 3.615 20 0 CHADMM O=C(Nc1cc(F)c(F)cc1[O-])Oc1ccc(Cl)cc1 ZINC001194061477 1122744295 /nfs/dbraw/zinc/74/42/95/1122744295.db2.gz LCLSMBAECKZEMU-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM CCCCCCOC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194185989 1122752883 /nfs/dbraw/zinc/75/28/83/1122752883.db2.gz ZNAJKQWFPNZDTI-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM O=C(Nc1cc([O-])c(Cl)cc1F)Oc1ccccc1 ZINC001194251398 1122761748 /nfs/dbraw/zinc/76/17/48/1122761748.db2.gz KFRCDAMRPPZQND-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM Cc1ccc(OC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001194463331 1122776432 /nfs/dbraw/zinc/77/64/32/1122776432.db2.gz WVOQLGYKNCZKTD-UHFFFAOYSA-N -1 1 277.707 3.965 20 0 CHADMM CCC(CC)COC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194713338 1122796997 /nfs/dbraw/zinc/79/69/97/1122796997.db2.gz UVALEPYTIBEWEO-UHFFFAOYSA-N -1 1 273.279 3.655 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Oc1ccc(F)cc1 ZINC001195035865 1122834024 /nfs/dbraw/zinc/83/40/24/1122834024.db2.gz DGMQFZGXQUTXQB-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2cccs2)cc1C ZINC000426787477 1122915955 /nfs/dbraw/zinc/91/59/55/1122915955.db2.gz FADNGVNFUNAQAY-OAHLLOKOSA-N -1 1 289.400 3.589 20 0 CHADMM CCc1ccc([C@H](NCc2sccc2C)C(=O)[O-])cc1 ZINC000426812140 1122916920 /nfs/dbraw/zinc/91/69/20/1122916920.db2.gz PUASONHYVJXFRO-HNNXBMFYSA-N -1 1 289.400 3.534 20 0 CHADMM Cc1ccc(NC(=S)Nc2ccc([O-])c(F)c2F)cc1 ZINC001197923582 1122974163 /nfs/dbraw/zinc/97/41/63/1122974163.db2.gz WUOSBPSUBIKWJE-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1ccc(NC(=S)Nc2cccc(F)c2[O-])c(C)c1 ZINC001197987420 1122978290 /nfs/dbraw/zinc/97/82/90/1122978290.db2.gz XVTSTIOQYDMMTC-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001198435096 1122993599 /nfs/dbraw/zinc/99/35/99/1122993599.db2.gz JXFXIBXVKBUJHG-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM [O-]c1cc(F)ccc1NC(=S)NC1CCCCCC1 ZINC001199969618 1123049913 /nfs/dbraw/zinc/04/99/13/1123049913.db2.gz ZKWBDAZTJUFSPO-UHFFFAOYSA-N -1 1 282.384 3.541 20 0 CHADMM Cc1ccccc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001202187514 1123183912 /nfs/dbraw/zinc/18/39/12/1123183912.db2.gz WAHGZELJIUZVNI-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1ccc(F)cc1[O-] ZINC001202208865 1123187649 /nfs/dbraw/zinc/18/76/49/1123187649.db2.gz ZQAGYVIFIWUKHQ-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM CCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1CC ZINC000507885809 1123245454 /nfs/dbraw/zinc/24/54/54/1123245454.db2.gz FTTLDIUTYCVNBJ-UHFFFAOYSA-N -1 1 295.429 3.674 20 0 CHADMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)ccn1C(C)C ZINC000335213879 1123322808 /nfs/dbraw/zinc/32/28/08/1123322808.db2.gz CUAUBELQRGIVGM-UHFFFAOYSA-N -1 1 294.301 3.614 20 0 CHADMM O=C(CSc1ccc2ccccc2n1)c1ccc([O-])cc1 ZINC000015651649 1123351737 /nfs/dbraw/zinc/35/17/37/1123351737.db2.gz RMSJSTREGHWHBO-UHFFFAOYSA-N -1 1 295.363 3.915 20 0 CHADMM C[C@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCCC2 ZINC000634601237 1129120894 /nfs/dbraw/zinc/12/08/94/1129120894.db2.gz GKXWINAOZWUHKJ-ZWNOBZJWSA-N -1 1 276.767 3.789 20 0 CHADMM O=C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000005328418 1123475633 /nfs/dbraw/zinc/47/56/33/1123475633.db2.gz XFVPYGPXIXBGLZ-UHFFFAOYSA-N -1 1 281.233 3.663 20 0 CHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)oc1C ZINC000157281990 1129125784 /nfs/dbraw/zinc/12/57/84/1129125784.db2.gz ZKUXGJRONVJFMS-UHFFFAOYSA-N -1 1 265.696 3.508 20 0 CHADMM CC(C)c1nsc([N-]c2cnn(C3CCCC3)c2)n1 ZINC000895887230 1123525793 /nfs/dbraw/zinc/52/57/93/1123525793.db2.gz RQCGTJOTKOCJAW-UHFFFAOYSA-N -1 1 277.397 3.717 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCC(F)CC1 ZINC000856080758 1123546586 /nfs/dbraw/zinc/54/65/86/1123546586.db2.gz OCIAZXKBQXRPTB-WHXUTIOJSA-N -1 1 299.773 3.692 20 0 CHADMM CC(C)c1ncsc1NC(=O)c1c(F)ccc([O-])c1F ZINC000857527186 1123604806 /nfs/dbraw/zinc/60/48/06/1123604806.db2.gz WMWXDFDNSTXKOD-UHFFFAOYSA-N -1 1 298.314 3.503 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C2CC2)cn1 ZINC000339006872 1123619263 /nfs/dbraw/zinc/61/92/63/1123619263.db2.gz GHHVPOBHURPAQQ-UHFFFAOYSA-N -1 1 288.734 3.570 20 0 CHADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CCC(C(C)(C)C)CC1 ZINC000858353611 1123647423 /nfs/dbraw/zinc/64/74/23/1123647423.db2.gz MJJJZFVUFLRDKS-UHFFFAOYSA-N -1 1 297.830 3.877 20 0 CHADMM CCC[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227387287 1123760643 /nfs/dbraw/zinc/76/06/43/1123760643.db2.gz VVTDZPONHBHFGM-LBPRGKRZSA-N -1 1 278.352 3.825 20 0 CHADMM CN(CC1CCCCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042340331 1123783032 /nfs/dbraw/zinc/78/30/32/1123783032.db2.gz QNSPHQHRPBXSHM-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000042355425 1123785114 /nfs/dbraw/zinc/78/51/14/1123785114.db2.gz AQCAGUPVMZUTNC-PWSUYJOCSA-N -1 1 281.783 3.696 20 0 CHADMM O=C([N-][C@@H](Cc1ccccc1)c1ccccc1)C(F)(F)F ZINC000195526968 1129146292 /nfs/dbraw/zinc/14/62/92/1129146292.db2.gz ZCWKWZXYPMMDKF-AWEZNQCLSA-N -1 1 293.288 3.649 20 0 CHADMM CCc1nc(SCCC(F)=C(F)F)[n-]c(=O)c1C ZINC000863345532 1123862249 /nfs/dbraw/zinc/86/22/49/1123862249.db2.gz BHEBRLLRPABJOQ-UHFFFAOYSA-N -1 1 278.299 3.613 20 0 CHADMM FC(F)C[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000301603428 1123917274 /nfs/dbraw/zinc/91/72/74/1123917274.db2.gz XCOVDKYZBZNDIV-UHFFFAOYSA-N -1 1 294.088 3.720 20 0 CHADMM CC(C)=CC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000864529244 1123933728 /nfs/dbraw/zinc/93/37/28/1123933728.db2.gz XNIBTUBVCFSABR-INIZCTEOSA-N -1 1 299.370 3.846 20 0 CHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897299857 1123993593 /nfs/dbraw/zinc/99/35/93/1123993593.db2.gz ATWPKABCKRQZQG-DGCLKSJQSA-N -1 1 299.370 3.654 20 0 CHADMM CCC(CC)(CNc1cc(Cl)[n-]c(=O)n1)C(F)(F)F ZINC000866134018 1124034220 /nfs/dbraw/zinc/03/42/20/1124034220.db2.gz JWZCSHQRNPSRQH-UHFFFAOYSA-N -1 1 297.708 3.616 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)c1 ZINC000445459785 1124085670 /nfs/dbraw/zinc/08/56/70/1124085670.db2.gz HKZKELXUXRBSQR-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM CC(C)CCSCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480555 1124086881 /nfs/dbraw/zinc/08/68/81/1124086881.db2.gz ZWEGRSFTEAZAAH-UHFFFAOYSA-N -1 1 296.367 3.861 20 0 CHADMM CC1(C)CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445478080 1124086895 /nfs/dbraw/zinc/08/68/95/1124086895.db2.gz PUEQQSZEUCAYCG-JTQLQIEISA-N -1 1 276.311 3.875 20 0 CHADMM O=c1cc(CC2CCC2)[n-]n1-c1ccc(Cl)c(F)c1 ZINC001245935732 1131255483 /nfs/dbraw/zinc/25/54/83/1131255483.db2.gz ADTXGMJDYNSKEO-UHFFFAOYSA-N -1 1 280.730 3.713 20 0 CHADMM CCCc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CC ZINC000871964501 1124655414 /nfs/dbraw/zinc/65/54/14/1124655414.db2.gz RDXVSUHSOPLNED-KBPBESRZSA-N -1 1 292.423 3.503 20 0 CHADMM O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCCCCC2 ZINC000871964210 1124655958 /nfs/dbraw/zinc/65/59/58/1124655958.db2.gz YYKZJMOAUUIYQQ-NWDGAFQWSA-N -1 1 284.350 3.590 20 0 CHADMM CCCC1(CCC)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000872765798 1124728053 /nfs/dbraw/zinc/72/80/53/1124728053.db2.gz CFPIKGAQUATHJY-UHFFFAOYSA-N -1 1 283.803 3.775 20 0 CHADMM Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000025064596 1125325342 /nfs/dbraw/zinc/32/53/42/1125325342.db2.gz BJXZXYSFSRXKTF-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM O=C(CCc1cccc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC000532620833 1125428989 /nfs/dbraw/zinc/42/89/89/1125428989.db2.gz SBNBOMZNMVACCH-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM CCCOc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000622305674 1129245784 /nfs/dbraw/zinc/24/57/84/1129245784.db2.gz TYCWGODCFQYSDB-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM CCCCC[C@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000734552520 1129313863 /nfs/dbraw/zinc/31/38/63/1129313863.db2.gz GCSIERPXGHMRPD-AWEZNQCLSA-N -1 1 278.396 3.512 20 0 CHADMM [O-]c1ccc(-c2cncc(-c3cccs3)n2)cc1F ZINC001240786634 1129354118 /nfs/dbraw/zinc/35/41/18/1129354118.db2.gz XRXQDUNFLCLWAZ-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM Cc1cc(/C(C#N)=C/c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000091541240 1129363888 /nfs/dbraw/zinc/36/38/88/1129363888.db2.gz QVKJLQIRGJKZBD-NTEUORMPSA-N -1 1 280.283 3.673 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2ccc(CCO)cc2)c1Cl ZINC001212930711 1129401901 /nfs/dbraw/zinc/40/19/01/1129401901.db2.gz OJUVIQMIFILYPP-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM CC(C)[S@@](=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241120765 1129457959 /nfs/dbraw/zinc/45/79/59/1129457959.db2.gz KBHKZXRMUAQTKH-HXUWFJFHSA-N -1 1 296.338 3.853 20 0 CHADMM CCCCCC[C@](C)(CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000742607122 1129490582 /nfs/dbraw/zinc/49/05/82/1129490582.db2.gz UKEFCPSHRNRWNQ-ZBFHGGJFSA-N -1 1 285.428 3.948 20 0 CHADMM CCN(CCC(F)(F)F)Cc1cccc([O-])c1Cl ZINC000646069333 1129520447 /nfs/dbraw/zinc/52/04/47/1129520447.db2.gz LMPWUXHTAVCFLI-UHFFFAOYSA-N -1 1 281.705 3.820 20 0 CHADMM CC[C@H](C)C[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743720210 1129535453 /nfs/dbraw/zinc/53/54/53/1129535453.db2.gz VCDFNUCKOALZMF-UWVGGRQHSA-N -1 1 269.772 3.600 20 0 CHADMM CC1(C)Cc2ccccc2N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000646752484 1129543067 /nfs/dbraw/zinc/54/30/67/1129543067.db2.gz GLNVYNKXOIYAHM-UHFFFAOYSA-N -1 1 299.345 3.760 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](c2ccccc2)C1 ZINC000647072359 1129549842 /nfs/dbraw/zinc/54/98/42/1129549842.db2.gz FHYRKQDSNSQOSU-OAHLLOKOSA-N -1 1 299.345 3.551 20 0 CHADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137550223 1129605842 /nfs/dbraw/zinc/60/58/42/1129605842.db2.gz FMGXOCKUPSGLTH-BZNIZROVSA-N -1 1 299.370 3.560 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@H]1C1CCC1 ZINC000648706095 1129623048 /nfs/dbraw/zinc/62/30/48/1129623048.db2.gz ZRNCJOHDKRSDGC-AWEZNQCLSA-N -1 1 293.794 3.840 20 0 CHADMM O=C1CCc2cccc(Nc3ccc(Cl)c([O-])c3)c21 ZINC001212593517 1129744123 /nfs/dbraw/zinc/74/41/23/1129744123.db2.gz VQFVOBZQUVNLPX-UHFFFAOYSA-N -1 1 273.719 3.918 20 0 CHADMM CC[C@](C)(NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000768030310 1129827253 /nfs/dbraw/zinc/82/72/53/1129827253.db2.gz ISSOYMIHUNZKER-KRWDZBQOSA-N -1 1 287.334 3.587 20 0 CHADMM CCCC[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000800276340 1129862103 /nfs/dbraw/zinc/86/21/03/1129862103.db2.gz LEUYULJWOIBLFH-LBPRGKRZSA-N -1 1 292.375 3.507 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900561586 1129886602 /nfs/dbraw/zinc/88/66/02/1129886602.db2.gz FIZUYGCLNZNKBU-VXGBXAGGSA-N -1 1 299.370 3.654 20 0 CHADMM CC(C)[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769874171 1129930421 /nfs/dbraw/zinc/93/04/21/1129930421.db2.gz ZNRYLIDKLXEXNT-GFCCVEGCSA-N -1 1 281.783 3.696 20 0 CHADMM CCCCC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901724547 1129946261 /nfs/dbraw/zinc/94/62/61/1129946261.db2.gz BGBWTQBDUAUXBR-BNOWGMLFSA-N -1 1 279.380 3.526 20 0 CHADMM CC(C)c1ccc(CNCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000902108419 1129980695 /nfs/dbraw/zinc/98/06/95/1129980695.db2.gz KEKAPKBWXACSDV-MDZDMXLPSA-N -1 1 299.370 3.791 20 0 CHADMM O=C([O-])/C=C/c1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000902129235 1129983342 /nfs/dbraw/zinc/98/33/42/1129983342.db2.gz FWWOIIUVKVNOHT-DOJUMQAQSA-N -1 1 297.354 3.618 20 0 CHADMM CC[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(C)cc1 ZINC000902214826 1129989404 /nfs/dbraw/zinc/98/94/04/1129989404.db2.gz SIKDVVRVIIHWPU-MQNTZWLQSA-N -1 1 299.370 3.927 20 0 CHADMM CC[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(C)cc1 ZINC000902214829 1129989762 /nfs/dbraw/zinc/98/97/62/1129989762.db2.gz SIKDVVRVIIHWPU-SXSDINLZSA-N -1 1 299.370 3.927 20 0 CHADMM CCc1oc(CN(C)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902508795 1130018557 /nfs/dbraw/zinc/01/85/57/1130018557.db2.gz UJBDDUULWIPRAO-LBPRGKRZSA-N -1 1 287.359 3.733 20 0 CHADMM [O-]c1cccc(-c2cnc3ccncc3c2)c1Cl ZINC001242802259 1130056332 /nfs/dbraw/zinc/05/63/32/1130056332.db2.gz CYGWYWNYNIBIBY-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM COc1cccc(-c2ccnc(-c3ccc([O-])cc3F)n2)c1 ZINC001206036875 1130257790 /nfs/dbraw/zinc/25/77/90/1130257790.db2.gz AASFLZLQRKGHHG-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CC(C)(C)C1 ZINC000753030144 1130258212 /nfs/dbraw/zinc/25/82/12/1130258212.db2.gz NPVICEWLTUNTJE-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM Cc1nc2cccc(-c3cccc(C=CC(=O)[O-])c3)c2[nH]1 ZINC001240549757 1130352430 /nfs/dbraw/zinc/35/24/30/1130352430.db2.gz CZCPFOLWAYZOHY-CMDGGOBGSA-N -1 1 278.311 3.636 20 0 CHADMM CCOc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342319 1130388792 /nfs/dbraw/zinc/38/87/92/1130388792.db2.gz GQMDIUWIWDPGAS-UHFFFAOYSA-N -1 1 250.244 3.736 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2ccccc2)cnn1 ZINC001240693274 1130420910 /nfs/dbraw/zinc/42/09/10/1130420910.db2.gz KQVKJQQZDAQKED-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(F)cc1-c1cnc(OCc2ccccc2)cn1 ZINC001240694213 1130420970 /nfs/dbraw/zinc/42/09/70/1130420970.db2.gz QSGDFAIRXRAETD-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM COc1cc(F)cc2ccc(-c3cc(F)ccc3[O-])nc21 ZINC001240693864 1130421066 /nfs/dbraw/zinc/42/10/66/1130421066.db2.gz JYSPHUBVBZWMMK-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM COc1ccc(-c2cc(-c3cc(F)ccc3[O-])ncn2)cc1 ZINC001240695277 1130422107 /nfs/dbraw/zinc/42/21/07/1130422107.db2.gz GOVJVVKUBBFFJJ-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM COc1ccccc1-c1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240695785 1130422132 /nfs/dbraw/zinc/42/21/32/1130422132.db2.gz RTTDOAMLBNCZRG-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM CSc1nc2ccccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240781754 1130467413 /nfs/dbraw/zinc/46/74/13/1130467413.db2.gz HZOJKYBQIAQPCA-UHFFFAOYSA-N -1 1 286.331 3.863 20 0 CHADMM CCCCCCc1nnc(-c2ccc(F)c([O-])c2)o1 ZINC001256390843 1130674126 /nfs/dbraw/zinc/67/41/26/1130674126.db2.gz JKAFJPPDLDMRSE-UHFFFAOYSA-N -1 1 264.300 3.704 20 0 CHADMM Cc1ccc(C(F)(F)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000780646900 1130686321 /nfs/dbraw/zinc/68/63/21/1130686321.db2.gz VTGZOWVPKPVZPG-UHFFFAOYSA-N -1 1 295.260 3.570 20 0 CHADMM CC(C)OCCON=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000812489273 1130697231 /nfs/dbraw/zinc/69/72/31/1130697231.db2.gz WPRUWSMMNQYZLT-UHFFFAOYSA-N -1 1 298.692 3.522 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(O)c1C ZINC000780992535 1130698575 /nfs/dbraw/zinc/69/85/75/1130698575.db2.gz ZUAWUHSKKHOHSD-UHFFFAOYSA-N -1 1 291.734 3.620 20 0 CHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H]2CCCC[C@H]12 ZINC000782810639 1130789913 /nfs/dbraw/zinc/78/99/13/1130789913.db2.gz PQKKGWFNPOQERY-WZRBSPASSA-N -1 1 293.794 3.696 20 0 CHADMM COC(=O)c1nc2cc(-c3cccc(C4CC4)c3)ccc2[n-]1 ZINC001236083762 1130852508 /nfs/dbraw/zinc/85/25/08/1130852508.db2.gz CWNCABQRWDMBPU-UHFFFAOYSA-N -1 1 292.338 3.894 20 0 CHADMM COC(=O)c1nc2ccc(-c3cccc(C4CC4)c3)cc2[n-]1 ZINC001236083762 1130852514 /nfs/dbraw/zinc/85/25/14/1130852514.db2.gz CWNCABQRWDMBPU-UHFFFAOYSA-N -1 1 292.338 3.894 20 0 CHADMM Cc1nsc2nc(-c3c(F)ccc(C)c3[O-])ccc12 ZINC001236389801 1130925269 /nfs/dbraw/zinc/92/52/69/1130925269.db2.gz GPZYINXQAXVFBJ-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM Cc1ccc2c(c1)ncnc2-c1c(F)ccc(C)c1[O-] ZINC001236394579 1130926441 /nfs/dbraw/zinc/92/64/41/1130926441.db2.gz ZESBICBOAWMMBF-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2nc(C(C)C)nc3[nH]ccc32)c1[O-] ZINC001236393035 1130926647 /nfs/dbraw/zinc/92/66/47/1130926647.db2.gz SOBUJOZBWYLBCH-UHFFFAOYSA-N -1 1 285.322 3.853 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2C(F)F)c1[O-] ZINC001236391659 1130926918 /nfs/dbraw/zinc/92/69/18/1130926918.db2.gz PZQBFZZBQADAKC-UHFFFAOYSA-N -1 1 253.223 3.839 20 0 CHADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)ccc2C)c1 ZINC001135435271 1131062160 /nfs/dbraw/zinc/06/21/60/1131062160.db2.gz GHLDXJRCJZCNHG-UHFFFAOYSA-N -1 1 287.384 3.983 20 0 CHADMM Cc1ccccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135498750 1131075121 /nfs/dbraw/zinc/07/51/21/1131075121.db2.gz VNHRGYXMAJVNDQ-UHFFFAOYSA-N -1 1 275.735 3.535 20 0 CHADMM Cc1ncccc1CN(C)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237993634 1131159645 /nfs/dbraw/zinc/15/96/45/1131159645.db2.gz UJCMMBQNAXFHBV-UHFFFAOYSA-N -1 1 294.757 3.520 20 0 CHADMM C[C@@H]1CN(Cc2cc(Cl)c([O-])cc2F)C2(CC2)C1 ZINC001238154765 1131175877 /nfs/dbraw/zinc/17/58/77/1131175877.db2.gz LOHNVOOYMCTJDD-VIFPVBQESA-N -1 1 269.747 3.559 20 0 CHADMM C[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)[C@H]1C ZINC001238153144 1131176355 /nfs/dbraw/zinc/17/63/55/1131176355.db2.gz XNJJMIGRZYSQGL-UWVGGRQHSA-N -1 1 271.763 3.805 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](C2CCCC2)C1 ZINC000817637074 1131176578 /nfs/dbraw/zinc/17/65/78/1131176578.db2.gz WQYCVYBLJXDMBU-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM COc1cc(C)c(-c2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001245832627 1131202101 /nfs/dbraw/zinc/20/21/01/1131202101.db2.gz QYZSQLGWHVENMM-UHFFFAOYSA-N -1 1 281.714 3.872 20 0 CHADMM CSc1ccc([O-])c(C(=O)Nc2cccc(F)c2C)c1 ZINC001136973951 1131493736 /nfs/dbraw/zinc/49/37/36/1131493736.db2.gz LUEPWBZOMAABEC-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM CCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000844085428 1131530518 /nfs/dbraw/zinc/53/05/18/1131530518.db2.gz NVCIQJAMNXCNMS-QMMMGPOBSA-N -1 1 276.163 3.555 20 0 CHADMM CCOc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1 ZINC001202906215 1131593995 /nfs/dbraw/zinc/59/39/95/1131593995.db2.gz LQHYVKYIBKMGBK-UHFFFAOYSA-N -1 1 290.294 3.574 20 0 CHADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)C1CCCC1 ZINC001227883600 1131759588 /nfs/dbraw/zinc/75/95/88/1131759588.db2.gz BGOMTGPCMFSVFM-SECBINFHSA-N -1 1 275.377 3.645 20 0 CHADMM C[C@@H]1CCC[C@H](Oc2[n-]c(=S)nc3cnccc32)[C@@H]1C ZINC001227885690 1131759668 /nfs/dbraw/zinc/75/96/68/1131759668.db2.gz OALQARYFSNDHFI-BREBYQMCSA-N -1 1 289.404 3.891 20 0 CHADMM Cc1cnc(C(=O)N[C@H](C)CCC2CCCCC2)c([O-])c1 ZINC001146539044 1131790508 /nfs/dbraw/zinc/79/05/08/1131790508.db2.gz NXUCRKKBOUAPJX-CYBMUJFWSA-N -1 1 290.407 3.574 20 0 CHADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1Cl ZINC001146713327 1131796885 /nfs/dbraw/zinc/79/68/85/1131796885.db2.gz ZAFYIAROVHVZDC-RYUDHWBXSA-N -1 1 295.810 3.992 20 0 CHADMM O=C(N[C@H]1CCCC12CCCCC2)c1cccc([O-])c1F ZINC001147255270 1131815569 /nfs/dbraw/zinc/81/55/69/1131815569.db2.gz KXWCBROTSVDKAL-AWEZNQCLSA-N -1 1 291.366 3.764 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@H]1C=CCC1 ZINC001228186876 1131826089 /nfs/dbraw/zinc/82/60/89/1131826089.db2.gz VMCPAESBDVMPGP-HNNXBMFYSA-N -1 1 280.323 3.721 20 0 CHADMM CC[C@H](C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228182964 1131826245 /nfs/dbraw/zinc/82/62/45/1131826245.db2.gz IHZMOALFWHFGNO-LBPRGKRZSA-N -1 1 270.328 3.801 20 0 CHADMM O=C(N[C@H]1C[C@@H]1C1CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873246 1131875721 /nfs/dbraw/zinc/87/57/21/1131875721.db2.gz YRIXGJFBKWBZGK-SJORKVTESA-N -1 1 293.366 3.588 20 0 CHADMM CCCC[C@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553429 1131909582 /nfs/dbraw/zinc/90/95/82/1131909582.db2.gz CBQXDTOUWUSDFO-JTQLQIEISA-N -1 1 266.337 3.648 20 0 CHADMM CC[C@@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140836353 1131941364 /nfs/dbraw/zinc/94/13/64/1131941364.db2.gz WZNHAYNGVRRQBY-SECBINFHSA-N -1 1 274.191 3.931 20 0 CHADMM C[C@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834870 1131942082 /nfs/dbraw/zinc/94/20/82/1131942082.db2.gz GJEXFZMVNGLDEV-QMMMGPOBSA-N -1 1 260.164 3.541 20 0 CHADMM CN(Cc1cccc(Cl)c1)Cc1ccc([O-])c(F)c1F ZINC001140890311 1131959470 /nfs/dbraw/zinc/95/94/70/1131959470.db2.gz CEPCUZGHSKUMDA-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CC(C)(CNC(=O)Cc1ccc([O-])c(Cl)c1)C1CCC1 ZINC001140935544 1131965593 /nfs/dbraw/zinc/96/55/93/1131965593.db2.gz OGCGBMFSIXKQBJ-UHFFFAOYSA-N -1 1 295.810 3.531 20 0 CHADMM [O-]c1c(F)cc(CN2CCCC[C@H]2C(F)(F)F)cc1F ZINC001140990112 1131980119 /nfs/dbraw/zinc/98/01/19/1131980119.db2.gz MDHCVFFIFZQIRB-NSHDSACASA-N -1 1 295.251 3.587 20 0 CHADMM C[C@@H]1CC(Oc2cc([O-])cc3oc(=O)ccc23)C[C@@H](C)C1 ZINC001229133736 1132024317 /nfs/dbraw/zinc/02/43/17/1132024317.db2.gz AXMOBTPJTCZNOD-QWRGUYRKSA-N -1 1 288.343 3.702 20 0 CHADMM CC[C@@H]1CCCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134197 1132024782 /nfs/dbraw/zinc/02/47/82/1132024782.db2.gz GHEPNKBIXHFUIK-BXUZGUMPSA-N -1 1 288.343 3.846 20 0 CHADMM CCCCC[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229132588 1132024799 /nfs/dbraw/zinc/02/47/99/1132024799.db2.gz UQXAPGWLZUHRRK-NSHDSACASA-N -1 1 276.332 3.846 20 0 CHADMM Cc1ccc([C@H](C)Oc2cc([O-])cc3oc(=O)ccc23)cc1 ZINC001229134671 1132024970 /nfs/dbraw/zinc/02/49/70/1132024970.db2.gz HUBRRCLLHMZLOA-LBPRGKRZSA-N -1 1 296.322 3.947 20 0 CHADMM C[C@H](Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001229293504 1132050938 /nfs/dbraw/zinc/05/09/38/1132050938.db2.gz DRJUUWYPZVGVHI-NSHDSACASA-N -1 1 298.338 3.506 20 0 CHADMM O=C1CCCC[C@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229405927 1132063591 /nfs/dbraw/zinc/06/35/91/1132063591.db2.gz DPWAQPLADMKHEA-LLVKDONJSA-N -1 1 275.131 3.590 20 0 CHADMM C[C@H]1CC[C@@H](COc2cc([O-])c(Cl)cc2Cl)O1 ZINC001229409103 1132064549 /nfs/dbraw/zinc/06/45/49/1132064549.db2.gz BXZORVAFVSPJNA-YUMQZZPRSA-N -1 1 277.147 3.645 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1ccncc1 ZINC001229474380 1132072630 /nfs/dbraw/zinc/07/26/30/1132072630.db2.gz DAJHOFLDUIUKKZ-LLVKDONJSA-N -1 1 271.316 3.520 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)Cc1ccccc1 ZINC001229474965 1132072746 /nfs/dbraw/zinc/07/27/46/1132072746.db2.gz NTMHQIPMNYMOLT-CYBMUJFWSA-N -1 1 284.355 3.995 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001229474885 1132073402 /nfs/dbraw/zinc/07/34/02/1132073402.db2.gz MAWXJWJDCUPFIB-FIXISWKDSA-N -1 1 260.333 3.552 20 0 CHADMM CCCOc1c(F)cc(F)c([N-]c2nc(C)co2)c1F ZINC001212647063 1132144569 /nfs/dbraw/zinc/14/45/69/1132144569.db2.gz JFUAMLCMMXRLMI-UHFFFAOYSA-N -1 1 286.253 3.933 20 0 CHADMM C[C@]1(C(=O)[N-]OC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000839732659 1132231758 /nfs/dbraw/zinc/23/17/58/1132231758.db2.gz XBNGKYMMQNBIRY-WBVHZDCISA-N -1 1 273.376 3.561 20 0 CHADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1(C)C ZINC001141831373 1132253315 /nfs/dbraw/zinc/25/33/15/1132253315.db2.gz MKDBNZUPIKKOGE-LKFCYVNXSA-N -1 1 295.329 3.847 20 0 CHADMM C[C@H]1CCC[C@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231200672 1132272060 /nfs/dbraw/zinc/27/20/60/1132272060.db2.gz RYZLIPUKGJSBSY-STQMWFEESA-N -1 1 284.359 3.807 20 0 CHADMM Cc1cc(C)c(NC(=O)c2ccc(F)c([O-])c2)c(C)c1 ZINC001142011268 1132293409 /nfs/dbraw/zinc/29/34/09/1132293409.db2.gz DVTKCEHCCDSNHO-UHFFFAOYSA-N -1 1 273.307 3.709 20 0 CHADMM O=c1ccn(-c2ccc(Nc3cccnc3C3CC3)cc2)[n-]1 ZINC001212741507 1132499948 /nfs/dbraw/zinc/49/99/48/1132499948.db2.gz DVNZLSYBHHSYCW-UHFFFAOYSA-N -1 1 292.342 3.594 20 0 CHADMM [O-]c1cccc(CN2CCC[C@H]2c2nccs2)c1Cl ZINC001232789126 1132522378 /nfs/dbraw/zinc/52/23/78/1132522378.db2.gz WKRIQEWTEFCGMO-NSHDSACASA-N -1 1 294.807 3.839 20 0 CHADMM Cc1cccc2c1CCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232930907 1132546097 /nfs/dbraw/zinc/54/60/97/1132546097.db2.gz GKTVVXOGKPXYRL-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM C[C@@H]1Cc2ccccc2CN1Cc1cc([O-])c(F)c(F)c1 ZINC001232975746 1132556613 /nfs/dbraw/zinc/55/66/13/1132556613.db2.gz OGSVXKGEHSSUGB-LLVKDONJSA-N -1 1 289.325 3.617 20 0 CHADMM [O-]c1c(Cl)cc(Br)cc1Nc1cccnc1 ZINC001173858577 1132560502 /nfs/dbraw/zinc/56/05/02/1132560502.db2.gz LUESNRGCQIGAOE-UHFFFAOYSA-N -1 1 299.555 3.947 20 0 CHADMM C[C@]1(NC(=O)c2cc(F)ccc2[O-])CCCc2ccccc21 ZINC001152107110 1132577344 /nfs/dbraw/zinc/57/73/44/1132577344.db2.gz UJULUEKXSULVFO-SFHVURJKSA-N -1 1 299.345 3.513 20 0 CHADMM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001153076173 1132590030 /nfs/dbraw/zinc/59/00/30/1132590030.db2.gz IMPQGRYBHUGLRF-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM O=C(N[C@@H]1CCCC[C@H]1F)c1c([O-])ccc2ccccc21 ZINC001153504334 1132595599 /nfs/dbraw/zinc/59/55/99/1132595599.db2.gz KUMCUIHWKXZEQH-ZIAGYGMSSA-N -1 1 287.334 3.556 20 0 CHADMM O=C(Nc1ccsc1)c1c(O)cc2ccccc2c1[O-] ZINC001154022781 1132605903 /nfs/dbraw/zinc/60/59/03/1132605903.db2.gz DMVUIACZFYIMPV-UHFFFAOYSA-N -1 1 285.324 3.565 20 0 CHADMM CCC(CC)[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001154105515 1132607687 /nfs/dbraw/zinc/60/76/87/1132607687.db2.gz FGMKRYGCYIUNKB-SNVBAGLBSA-N -1 1 283.799 3.734 20 0 CHADMM CC[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC001154105976 1132607891 /nfs/dbraw/zinc/60/78/91/1132607891.db2.gz VFCNNHUXXMDXHQ-GFCCVEGCSA-N -1 1 283.799 3.734 20 0 CHADMM C[C@@H](CCNC(=O)c1c([O-])cccc1F)CC(C)(C)C ZINC001154335491 1132613523 /nfs/dbraw/zinc/61/35/23/1132613523.db2.gz GLNUSHPWDATSKF-NSHDSACASA-N -1 1 281.371 3.724 20 0 CHADMM COc1cccc(OC)c1Nc1cc([O-])c(Cl)cc1F ZINC001173921606 1132615718 /nfs/dbraw/zinc/61/57/18/1132615718.db2.gz KYIBJYVDQCNQTM-UHFFFAOYSA-N -1 1 297.713 3.946 20 0 CHADMM [O-]c1c(Br)c(F)ccc1Nc1ccoc1 ZINC001173937766 1132649805 /nfs/dbraw/zinc/64/98/05/1132649805.db2.gz KRADTFQGWDENBU-UHFFFAOYSA-N -1 1 272.073 3.630 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccn1 ZINC001233650630 1132656592 /nfs/dbraw/zinc/65/65/92/1132656592.db2.gz NMHKJDSNEKGBAB-LBPRGKRZSA-N -1 1 285.343 3.910 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)C(F)(F)F ZINC001233650487 1132656910 /nfs/dbraw/zinc/65/69/10/1132656910.db2.gz KXJNSDWWTPYIOU-MRVPVSSYSA-N -1 1 276.254 3.705 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)CCC ZINC001233649884 1132657142 /nfs/dbraw/zinc/65/71/42/1132657142.db2.gz FGLBYZRHWAGALS-NSHDSACASA-N -1 1 250.338 3.942 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)Cc1ccco1 ZINC001233650479 1132657687 /nfs/dbraw/zinc/65/76/87/1132657687.db2.gz KUQZABVPAFYEGZ-GFCCVEGCSA-N -1 1 288.343 3.978 20 0 CHADMM Cc1ncoc1-c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC001156052760 1132679486 /nfs/dbraw/zinc/67/94/86/1132679486.db2.gz DSBMPIMBEXBGRE-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)c1 ZINC001174023775 1132698378 /nfs/dbraw/zinc/69/83/78/1132698378.db2.gz PGWQWRNAOMRIFZ-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM COCc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174095104 1132712607 /nfs/dbraw/zinc/71/26/07/1132712607.db2.gz WRWKIXXKBCYTSM-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM CC(C)(C)OCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC001157717388 1132738959 /nfs/dbraw/zinc/73/89/59/1132738959.db2.gz YCSVGKMYHAJJQZ-UHFFFAOYSA-N -1 1 299.370 3.960 20 0 CHADMM Cc1nnc([N-]c2cc(F)ccc2OCc2ccccc2)o1 ZINC001174119513 1132751989 /nfs/dbraw/zinc/75/19/89/1132751989.db2.gz AIMXFIXTWXXRHX-UHFFFAOYSA-N -1 1 299.305 3.840 20 0 CHADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC001158375512 1132772852 /nfs/dbraw/zinc/77/28/52/1132772852.db2.gz AEULZMLTCMXLJX-WDEREUQCSA-N -1 1 281.783 3.602 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1c(Cl)cccc1CO ZINC001159491155 1132855708 /nfs/dbraw/zinc/85/57/08/1132855708.db2.gz XYGWXYOLKDXYMH-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(N2CCCC2)c1 ZINC001174487404 1132859156 /nfs/dbraw/zinc/85/91/56/1132859156.db2.gz WQLXPRVJMNDXJQ-UHFFFAOYSA-N -1 1 289.766 3.784 20 0 CHADMM CCn1cc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001174570737 1132913955 /nfs/dbraw/zinc/91/39/55/1132913955.db2.gz ZPMQZAJGWKMOPD-UHFFFAOYSA-N -1 1 272.135 3.659 20 0 CHADMM Cc1c(F)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001174668966 1132956678 /nfs/dbraw/zinc/95/66/78/1132956678.db2.gz SCWNNSQIKSWOJL-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1cc(C)cc(C)n1 ZINC001163109560 1133130775 /nfs/dbraw/zinc/13/07/75/1133130775.db2.gz FPQIKZNOJGUAMF-UHFFFAOYSA-N -1 1 294.358 3.642 20 0 CHADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC001165752235 1133250257 /nfs/dbraw/zinc/25/02/57/1133250257.db2.gz WOJBFWIKKDJOLC-SECBINFHSA-N -1 1 293.725 3.927 20 0 CHADMM CC(C)n1ccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001203158991 1133303328 /nfs/dbraw/zinc/30/33/28/1133303328.db2.gz OQEIKDYLVBRZHV-UHFFFAOYSA-N -1 1 284.315 3.625 20 0 CHADMM Cc1c(Cl)cc(NC=CC(C)(C)O)c([O-])c1Cl ZINC001203224979 1133306577 /nfs/dbraw/zinc/30/65/77/1133306577.db2.gz VFXDUNMZLYQUHR-SNAWJCMRSA-N 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[O-]c1c(F)c(F)ccc1Nc1cc(Cl)ccc1O ZINC001216403648 1134885045 /nfs/dbraw/zinc/88/50/45/1134885045.db2.gz UFETXBYFUQSCLB-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cc(Cl)cc(CO)c1 ZINC001216437200 1134896862 /nfs/dbraw/zinc/89/68/62/1134896862.db2.gz ZGJLIYPTQWENMR-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM CC(C)(O)c1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001216492120 1134907518 /nfs/dbraw/zinc/90/75/18/1134907518.db2.gz PUJVFNNODKALIH-UHFFFAOYSA-N -1 1 297.276 3.781 20 0 CHADMM COc1c(F)cc(SC)cc1[N-]c1nonc1C1CC1 ZINC001216581461 1134922977 /nfs/dbraw/zinc/92/29/77/1134922977.db2.gz GXZZTKMAGSSJPU-UHFFFAOYSA-N -1 1 295.339 3.560 20 0 CHADMM Cc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1C ZINC000405076925 1134957513 /nfs/dbraw/zinc/95/75/13/1134957513.db2.gz IGOCBWNMTKKNOV-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM COc1cccc([O-])c1C(=O)Nc1cccc2ccsc21 ZINC000405428598 1134971447 /nfs/dbraw/zinc/97/14/47/1134971447.db2.gz AHHQYGAGKJNIKU-UHFFFAOYSA-N -1 1 299.351 3.868 20 0 CHADMM [O-]c1c2ccsc2ccc1-c1nc(-c2cccnc2)no1 ZINC001217514212 1134981396 /nfs/dbraw/zinc/98/13/96/1134981396.db2.gz LOSQGYFPTNYEDG-UHFFFAOYSA-N -1 1 295.323 3.719 20 0 CHADMM CCOc1c(F)cccc1-c1cc(F)c([O-])cc1F ZINC001222082281 1135190368 /nfs/dbraw/zinc/19/03/68/1135190368.db2.gz BPLROCMAOYZMBV-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-c3c[nH]cn3)cc2)cc1F ZINC001222082731 1135190442 /nfs/dbraw/zinc/19/04/42/1135190442.db2.gz GTRSAQRSKSFQCB-UHFFFAOYSA-N -1 1 272.254 3.728 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001225616091 1135595782 /nfs/dbraw/zinc/59/57/82/1135595782.db2.gz GBZCHBAQIKMSMY-MISXGVKJSA-N -1 1 262.349 3.798 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CC2CCC1CC2 ZINC001225616338 1135596035 /nfs/dbraw/zinc/59/60/35/1135596035.db2.gz ISEWPVIVMZDCRI-QOZQQMKHSA-N -1 1 260.333 3.552 20 0 CHADMM CCC[C@H](Oc1cc([O-])cc(O)c1C(C)=O)C(C)C ZINC001225678324 1135607692 /nfs/dbraw/zinc/60/76/92/1135607692.db2.gz GWZNDYOJNCDXCX-ZDUSSCGKSA-N -1 1 266.337 3.504 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccc(O[C@@H]2C=CCC2)cc1 ZINC001225807270 1135625791 /nfs/dbraw/zinc/62/57/91/1135625791.db2.gz GZFZIZZMNUKHQC-MRXNPFEDSA-N -1 1 280.323 3.721 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(OC3CCC(C)CC3)c12 ZINC001226484824 1135702996 /nfs/dbraw/zinc/70/29/96/1135702996.db2.gz HQWRMVYZDJXSIJ-UHFFFAOYSA-N -1 1 288.343 3.765 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCC[C@@H](C)C3)c12 ZINC001226484608 1135703276 /nfs/dbraw/zinc/70/32/76/1135703276.db2.gz GHRLTYZGSZBTTJ-ZWNOBZJWSA-N -1 1 288.343 3.765 20 0 CHADMM CC[C@H](C)[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486611 1135703517 /nfs/dbraw/zinc/70/35/17/1135703517.db2.gz SKVOCCAVTWNEEB-ONGXEEELSA-N -1 1 276.332 3.620 20 0 CHADMM CCCCC[C@H](Oc1cnc[n-]c1=O)c1ccccc1 ZINC001227051416 1135778669 /nfs/dbraw/zinc/77/86/69/1135778669.db2.gz JPWSLAOTHLEUSK-AWEZNQCLSA-N -1 1 272.348 3.883 20 0 CHADMM CCCCC[C@@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227169701 1135794019 /nfs/dbraw/zinc/79/40/19/1135794019.db2.gz 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Cc1cc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c(C)o1 ZINC000044731494 330331453 /nfs/dbraw/zinc/33/14/53/330331453.db2.gz XTQWFARRIUXDTD-SECBINFHSA-N -1 1 293.750 3.746 20 0 CHADMM CC/C=C(\C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449094 330374263 /nfs/dbraw/zinc/37/42/63/330374263.db2.gz NNCUHDOVMSEGLB-XBXARRHUSA-N -1 1 264.712 3.909 20 0 CHADMM O=C(Nc1ccc2ccoc2c1)c1c(F)ccc([O-])c1F ZINC000515019079 330469087 /nfs/dbraw/zinc/46/90/87/330469087.db2.gz NIXHSLGXHKEZAT-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2[O-])[C@H]1c1ccccc1 ZINC000435799898 330663317 /nfs/dbraw/zinc/66/33/17/330663317.db2.gz RHJHLKXYBVDQOV-AMKSKSKJSA-N -1 1 285.318 3.520 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000436509698 330678860 /nfs/dbraw/zinc/67/88/60/330678860.db2.gz FSEMTMZHFFCWHR-MNOVXSKESA-N -1 1 281.783 3.554 20 0 CHADMM CC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436693532 330682796 /nfs/dbraw/zinc/68/27/96/330682796.db2.gz BFWNSTUZUJZNKN-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/21/64/91/331216491.db2.gz LDRVFRZSNMZZNG-SECBINFHSA-N -1 1 299.798 3.609 20 0 CHADMM CCC[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000458331961 331249134 /nfs/dbraw/zinc/24/91/34/331249134.db2.gz FVZMIHIWHFMKEH-HNNXBMFYSA-N -1 1 279.355 3.620 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc(F)c1F ZINC000476373588 331663020 /nfs/dbraw/zinc/66/30/20/331663020.db2.gz FMIGHLONMFNSAU-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM [O-]c1cc(F)cc(/C=C/c2nc3ccccc3o2)c1 ZINC000184751119 333131995 /nfs/dbraw/zinc/13/19/95/333131995.db2.gz IIFAFEOTRXFSCR-AATRIKPKSA-N -1 1 255.248 3.843 20 0 CHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000185335742 333139007 /nfs/dbraw/zinc/13/90/07/333139007.db2.gz WVDDYAHNEKILNZ-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM Cc1cc(C)nc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192267279 333233659 /nfs/dbraw/zinc/23/36/59/333233659.db2.gz OQBSIUCAGLBIAV-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM CC1(C)CCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000229009406 333300015 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334027969 /nfs/dbraw/zinc/02/79/69/334027969.db2.gz UOJPXRIQQAULHO-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CCOc1cc(C(=O)NCCC(C)(C)C)cc(Cl)c1[O-] ZINC000546584745 334038903 /nfs/dbraw/zinc/03/89/03/334038903.db2.gz XEQOBDKFKRARAZ-UHFFFAOYSA-N -1 1 299.798 3.610 20 0 CHADMM CC[C@@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000134722655 334101847 /nfs/dbraw/zinc/10/18/47/334101847.db2.gz WXAWZDMXZJZBGR-GFCCVEGCSA-N -1 1 281.783 3.840 20 0 CHADMM CC[C@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000134722676 334101929 /nfs/dbraw/zinc/10/19/29/334101929.db2.gz WXAWZDMXZJZBGR-LBPRGKRZSA-N -1 1 281.783 3.840 20 0 CHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000080717653 334173005 /nfs/dbraw/zinc/17/30/05/334173005.db2.gz XWKFGRDINBSDIJ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM [O-]c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1Cl ZINC000154707331 334703202 /nfs/dbraw/zinc/70/32/02/334703202.db2.gz UTFHMAPARWQYNE-UHFFFAOYSA-N -1 1 280.114 3.637 20 0 CHADMM Cc1cc([C@@H](C)N2CCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710129 335238475 /nfs/dbraw/zinc/23/84/75/335238475.db2.gz AZZKWDQYHGHPMN-NEPJUHHUSA-N -1 1 289.331 3.777 20 0 CHADMM Cc1cnc(S[C@@H]2CCc3c2cccc3Cl)[n-]c1=O ZINC000581022692 335998250 /nfs/dbraw/zinc/99/82/50/335998250.db2.gz FETLPGMCEOZZCH-GFCCVEGCSA-N -1 1 292.791 3.924 20 0 CHADMM [O-]c1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1Cl ZINC000380868892 336038161 /nfs/dbraw/zinc/03/81/61/336038161.db2.gz XYSODAVCFAODSV-JTQLQIEISA-N -1 1 293.716 3.820 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(F)(F)F ZINC000336179505 534133873 /nfs/dbraw/zinc/13/38/73/534133873.db2.gz JKTZICQDUQHDKA-YFKPBYRVSA-N -1 1 292.644 3.761 20 0 CHADMM CCOc1cc(-c2noc(C(C)C)n2)cc(Cl)c1[O-] ZINC000277941256 520613972 /nfs/dbraw/zinc/61/39/72/520613972.db2.gz NZQRUCCAVUXBCK-UHFFFAOYSA-N -1 1 282.727 3.618 20 0 CHADMM CCOc1cc(-c2noc(C3CCC3)n2)cc(Cl)c1[O-] ZINC000278054593 520614133 /nfs/dbraw/zinc/61/41/33/520614133.db2.gz LMCIKXIMZBWBJM-UHFFFAOYSA-N -1 1 294.738 3.762 20 0 CHADMM C[C@H](CCC(C)(C)C)NC(=O)c1c(F)ccc([O-])c1F ZINC000289687494 524128572 /nfs/dbraw/zinc/12/85/72/524128572.db2.gz ZYULCCHRLIFMJF-SECBINFHSA-N -1 1 285.334 3.615 20 0 CHADMM O=C(CCCC1CCOCC1)Nc1ccc([O-])c(Cl)c1 ZINC000282588659 526421789 /nfs/dbraw/zinc/42/17/89/526421789.db2.gz CSIFSENHPFSESA-UHFFFAOYSA-N -1 1 297.782 3.581 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccccc2o1 ZINC000340329560 527213519 /nfs/dbraw/zinc/21/35/19/527213519.db2.gz WZSMITLSMMYGFA-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000043585441 527597847 /nfs/dbraw/zinc/59/78/47/527597847.db2.gz VBYXKUBZLDVZBE-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000043585440 527600859 /nfs/dbraw/zinc/60/08/59/527600859.db2.gz VBYXKUBZLDVZBE-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000087846492 597207661 /nfs/dbraw/zinc/20/76/61/597207661.db2.gz JNVYLNHWHQUQQZ-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM O=C([O-])c1cccc(CN(Cc2ccccc2F)C2CC2)c1 ZINC000740221610 600070893 /nfs/dbraw/zinc/07/08/93/600070893.db2.gz VOMBQJZVYYVFBT-UHFFFAOYSA-N -1 1 299.345 3.689 20 0 CHADMM Cc1cccc([C@@H](C)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000832966325 601002212 /nfs/dbraw/zinc/00/22/12/601002212.db2.gz NJKKIIWQLVHLES-CYBMUJFWSA-N -1 1 281.355 3.770 20 0 CHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000828410723 601045098 /nfs/dbraw/zinc/04/50/98/601045098.db2.gz CAPPDWIWKJUMTP-XOKHGSTOSA-N -1 1 281.355 3.505 20 0 CHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000828410726 601045123 /nfs/dbraw/zinc/04/51/23/601045123.db2.gz CAPPDWIWKJUMTP-XYPHTWIQSA-N -1 1 281.355 3.505 20 0 CHADMM C[C@@H]1c2ccccc2CN1[C@@H](C(=O)[O-])c1ccccc1F ZINC000828526839 601116476 /nfs/dbraw/zinc/11/64/76/601116476.db2.gz DZZZSRCSUJAWKX-BDJLRTHQSA-N -1 1 285.318 3.528 20 0 CHADMM C[C@H]1c2ccccc2CN1[C@H](C(=O)[O-])c1ccccc1F ZINC000828526842 601116786 /nfs/dbraw/zinc/11/67/86/601116786.db2.gz DZZZSRCSUJAWKX-ZBEGNZNMSA-N -1 1 285.318 3.528 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN1CC[C@H]1c1ccccc1 ZINC000833032649 601642341 /nfs/dbraw/zinc/64/23/41/601642341.db2.gz KGPPBSZRYNVZCC-AWEZNQCLSA-N -1 1 287.384 3.702 20 0 CHADMM C[C@@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])s1 ZINC000109602097 601938251 /nfs/dbraw/zinc/93/82/51/601938251.db2.gz NZKOHUQGVYSVRF-SECBINFHSA-N -1 1 293.413 3.627 20 0 CHADMM CC(C)c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000820196875 606410741 /nfs/dbraw/zinc/41/07/41/606410741.db2.gz DXIVHSZTNAGARQ-UHFFFAOYSA-N -1 1 299.403 3.664 20 0 CHADMM C[C@H](c1ccccc1F)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000062015316 948948819 /nfs/dbraw/zinc/94/88/19/948948819.db2.gz RQUAWPOBAFPALJ-GFCCVEGCSA-N -1 1 287.334 3.717 20 0 CHADMM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1c(Cl)oc2ccccc21 ZINC001573646533 959645477 /nfs/dbraw/zinc/64/54/77/959645477.db2.gz XZIJEBFQEFKXFF-HNNXBMFYSA-N -1 1 293.750 3.525 20 0 CHADMM C[C@@]1(C(=O)[O-])CCCN1Cc1c(Cl)oc2ccccc21 ZINC001573646533 959645484 /nfs/dbraw/zinc/64/54/84/959645484.db2.gz XZIJEBFQEFKXFF-HNNXBMFYSA-N -1 1 293.750 3.525 20 0 CHADMM C[C@@H](c1cccc(Cl)c1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001573750108 960549394 /nfs/dbraw/zinc/54/93/94/960549394.db2.gz ZLORGNPMFINEGN-OUAUKWLOSA-N -1 1 299.773 3.583 20 0 CHADMM Cc1cc(CN2CCC[C@H]2c2ccsc2)oc1C(=O)[O-] ZINC000652390039 975518525 /nfs/dbraw/zinc/51/85/25/975518525.db2.gz YMFUSUIYHRNQJH-ZDUSSCGKSA-N -1 1 291.372 3.685 20 0 CHADMM Cc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000652454341 975539531 /nfs/dbraw/zinc/53/95/31/975539531.db2.gz NWAIFFCXZDECKT-UHFFFAOYSA-N -1 1 293.388 3.597 20 0 CHADMM CC(C)c1[nH]c(CN2CCC[C@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001591912402 976343203 /nfs/dbraw/zinc/34/32/03/976343203.db2.gz MCXWPASQAMNBCI-IUODEOHRSA-N -1 1 290.407 3.601 20 0 CHADMM CCCC[C@H](C(=O)[O-])N1CC(C)(C)[C@@H]1c1cccs1 ZINC001595629036 981794898 /nfs/dbraw/zinc/79/48/98/981794898.db2.gz USQQBKALCPFNDG-YPMHNXCESA-N -1 1 281.421 3.774 20 0 CHADMM CC(C)[C@@H]1CN([C@@H](C)c2ncc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC001591093363 991657538 /nfs/dbraw/zinc/65/75/38/991657538.db2.gz RHQXABRNOBBBRB-GMXVVIOVSA-N -1 1 296.436 3.515 20 0 CHADMM CCCC[C@@H](CCC)NC(=O)c1cc(F)ccc1[O-] ZINC000226038099 1120245872 /nfs/dbraw/zinc/24/58/72/1120245872.db2.gz PUCAEZCLSBOGRD-GFCCVEGCSA-N -1 1 267.344 3.620 20 0 CHADMM C[C@H](NC1(c2ccccc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593210803 994254653 /nfs/dbraw/zinc/25/46/53/994254653.db2.gz RYRWSBOFZWHOMQ-LBPRGKRZSA-N -1 1 285.343 3.708 20 0 CHADMM C[C@H](NCc1csc(C(=O)[O-])c1)c1cccc(F)c1F ZINC001593311079 994776771 /nfs/dbraw/zinc/77/67/71/994776771.db2.gz BOJPIJOYFBXJJY-QMMMGPOBSA-N -1 1 297.326 3.575 20 0 CHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000048652551 1120836647 /nfs/dbraw/zinc/83/66/47/1120836647.db2.gz CVUCDGUPRFBHFP-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCOc1cc(C(=O)N[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000186808233 1121501864 /nfs/dbraw/zinc/50/18/64/1121501864.db2.gz HSHZCHCJPISZLU-SECBINFHSA-N -1 1 299.798 3.609 20 0 CHADMM CCC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271898768 1122181504 /nfs/dbraw/zinc/18/15/04/1122181504.db2.gz VTESUJCLFZZBES-VIFPVBQESA-N -1 1 289.297 3.672 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2cc(F)ccc2Cl)n1 ZINC000436202137 1122521859 /nfs/dbraw/zinc/52/18/59/1122521859.db2.gz KHFZORZDYSSHJD-UHFFFAOYSA-N -1 1 298.770 3.829 20 0 CHADMM CC[C@H](C)OC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001195133728 1122846957 /nfs/dbraw/zinc/84/69/57/1122846957.db2.gz XDBDGVPRUQGCED-ZETCQYMHSA-N -1 1 277.242 3.758 20 0 CHADMM CCCCCCNC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001200954956 1123068789 /nfs/dbraw/zinc/06/87/89/1123068789.db2.gz PVXHFWRGWOBDNG-UHFFFAOYSA-N -1 1 288.363 3.537 20 0 CHADMM CC(C)c1[nH]ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336380110 1123766589 /nfs/dbraw/zinc/76/65/89/1123766589.db2.gz OEYHEMGJLQTWCB-UHFFFAOYSA-N -1 1 278.739 3.749 20 0 CHADMM [O-]c1c(Cl)cc(CN2CC3CC(C3)C2)cc1Cl ZINC001140836177 1131941415 /nfs/dbraw/zinc/94/14/15/1131941415.db2.gz PFCDNDSJWYJYRO-UHFFFAOYSA-N -1 1 272.175 3.541 20 0 CHADMM CC(C)[N@@H+]1CC[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411671 1132063228 /nfs/dbraw/zinc/06/32/28/1132063228.db2.gz UZXFIEAQTSTXSZ-SECBINFHSA-N -1 1 290.190 3.561 20 0 CHADMM [O-]c1cc(CN2CCc3ccsc3C2)ccc1Cl ZINC001231734019 1132349595 /nfs/dbraw/zinc/34/95/95/1132349595.db2.gz OBMUQMFKUPFHHG-UHFFFAOYSA-N -1 1 279.792 3.665 20 0 CHADMM [O-]c1cccc(CN2CCCC(F)(F)[C@H](F)C2)c1Cl ZINC001232784398 1132520088 /nfs/dbraw/zinc/52/00/88/1132520088.db2.gz LTGPCKGSXBAXCY-LLVKDONJSA-N -1 1 293.716 3.615 20 0 CHADMM [O-]c1c(F)ccc(CN2CCCC[C@@H]2C(F)(F)F)c1F ZINC001232935531 1132543425 /nfs/dbraw/zinc/54/34/25/1132543425.db2.gz RSGSHTLFXBXFQO-SNVBAGLBSA-N -1 1 295.251 3.587 20 0 CHADMM Cc1nn(C)cc1Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001174336701 1132797675 /nfs/dbraw/zinc/79/76/75/1132797675.db2.gz VLEZJIJPLXHKEV-UHFFFAOYSA-N -1 1 286.162 3.793 20 0 CHADMM Cc1c(Cl)cc(Nc2ccc[nH]c2=O)c([O-])c1Cl ZINC001206470854 1133706284 /nfs/dbraw/zinc/70/62/84/1133706284.db2.gz NRXKVZLYHRWRQB-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM Cc1csc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214477401 1134542695 /nfs/dbraw/zinc/54/26/95/1134542695.db2.gz LQVLKSWXCDGZEF-UHFFFAOYSA-N -1 1 258.705 3.693 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(Cl)c(CO)c2)cc1F ZINC001215575973 1134646138 /nfs/dbraw/zinc/64/61/38/1134646138.db2.gz IEGMBAGYWPAJAS-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM O=C(/C=C\c1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000216427506 1125593893 /nfs/dbraw/zinc/59/38/93/1125593893.db2.gz YUVSAGZGYNZJEZ-XQRVVYSFSA-N -1 1 279.748 3.759 20 0 CHADMM CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325305 1125629459 /nfs/dbraw/zinc/62/94/59/1125629459.db2.gz VUHDMXQPTMCDOA-UHFFFAOYSA-N -1 1 283.799 3.990 20 0 CHADMM O=C(/C=C/c1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000067738971 1125718092 /nfs/dbraw/zinc/71/80/92/1125718092.db2.gz GJGWJSOTMWTDBJ-QPJJXVBHSA-N -1 1 291.709 3.837 20 0 CHADMM CCc1ccc(F)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001295292686 1126729755 /nfs/dbraw/zinc/72/97/55/1126729755.db2.gz YCMJIJLVYIJGTG-UHFFFAOYSA-N -1 1 293.725 3.999 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000668037787 1126755085 /nfs/dbraw/zinc/75/50/85/1126755085.db2.gz ILPIQXLETASIOE-OCCSQVGLSA-N -1 1 293.382 3.818 20 0 CHADMM CC[C@@H](C)N(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000037113689 1126887374 /nfs/dbraw/zinc/88/73/74/1126887374.db2.gz DXXHPTNRFJXBEZ-GFCCVEGCSA-N -1 1 271.360 3.806 20 0 CHADMM Cc1cnc([C@H](C)NCc2cccc([O-])c2Cl)s1 ZINC000293556347 1129211879 /nfs/dbraw/zinc/21/18/79/1129211879.db2.gz LSYHEZSGXOXGGD-VIFPVBQESA-N -1 1 282.796 3.661 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(F)cc1C ZINC000905726355 1126913333 /nfs/dbraw/zinc/91/33/33/1126913333.db2.gz AMXLDFBBVGQGRQ-SNVBAGLBSA-N -1 1 291.322 3.585 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C2CC2)CCC1 ZINC000907097563 1126971945 /nfs/dbraw/zinc/97/19/45/1126971945.db2.gz TZUXYZLLVBDBKW-UHFFFAOYSA-N -1 1 265.740 3.564 20 0 CHADMM C[C@H]1CC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908710382 1127013114 /nfs/dbraw/zinc/01/31/14/1127013114.db2.gz PGNXIOKGYDHPSZ-DTWKUNHWSA-N -1 1 298.180 3.529 20 0 CHADMM O=C(C=C1CCCC1)Nc1cccc([O-])c1Br ZINC000908716741 1127013995 /nfs/dbraw/zinc/01/39/95/1127013995.db2.gz MKSOXTMUZXVWBB-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM CCCCS[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979748 1127042263 /nfs/dbraw/zinc/04/22/63/1127042263.db2.gz UHWFRVCDMCQBPP-MRVPVSSYSA-N -1 1 289.347 3.531 20 0 CHADMM CC[C@H](C)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351348814 1127188130 /nfs/dbraw/zinc/18/81/30/1127188130.db2.gz DJLKLTFQEDQBRZ-NSHDSACASA-N -1 1 287.363 3.547 20 0 CHADMM Cc1oc(C[N@@H+](C)CC/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000572250145 1127195601 /nfs/dbraw/zinc/19/56/01/1127195601.db2.gz HUHKCNAOZSGJRS-UXBLZVDNSA-N -1 1 299.370 3.822 20 0 CHADMM CC1(C)CCC(C)(CNC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001299418266 1127218791 /nfs/dbraw/zinc/21/87/91/1127218791.db2.gz ANERYBATGVJMIW-UHFFFAOYSA-N -1 1 293.382 3.868 20 0 CHADMM CC[C@]1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669334547 1127228568 /nfs/dbraw/zinc/22/85/68/1127228568.db2.gz IAOLZNZFJWJSGR-GOSISDBHSA-N -1 1 298.386 3.593 20 0 CHADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000817355266 1131153961 /nfs/dbraw/zinc/15/39/61/1131153961.db2.gz WQOXTDKQNUDIIE-QMMMGPOBSA-N -1 1 288.174 3.555 20 0 CHADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000817355264 1131154417 /nfs/dbraw/zinc/15/44/17/1131154417.db2.gz WQOXTDKQNUDIIE-MRVPVSSYSA-N -1 1 288.174 3.555 20 0 CHADMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)c(C)c1 ZINC000057306944 1127253064 /nfs/dbraw/zinc/25/30/64/1127253064.db2.gz RDMWIVVVZMXDMM-UHFFFAOYSA-N -1 1 289.762 3.592 20 0 CHADMM CC(C)Oc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591727067 1127315818 /nfs/dbraw/zinc/31/58/18/1127315818.db2.gz VUMZNEBQEZWYDL-UHFFFAOYSA-N -1 1 298.317 3.516 20 0 CHADMM CC(C)(C)[C@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355333231 1127333597 /nfs/dbraw/zinc/33/35/97/1127333597.db2.gz KMTBBSBQHVEJSR-HNNXBMFYSA-N -1 1 296.370 3.577 20 0 CHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1C1CC1 ZINC000359076188 1127448305 /nfs/dbraw/zinc/44/83/05/1127448305.db2.gz BAEWMTCITVVAMD-UHFFFAOYSA-N -1 1 287.384 3.673 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000615223136 1127480018 /nfs/dbraw/zinc/48/00/18/1127480018.db2.gz ZSYFMGDZZXKTKR-PLNGDYQASA-N -1 1 299.374 3.589 20 0 CHADMM C[C@H](c1ccncc1)N(C)Cc1cccc([O-])c1Cl ZINC000293583257 1127506742 /nfs/dbraw/zinc/50/67/42/1127506742.db2.gz JWFLAUUTPKGRIJ-LLVKDONJSA-N -1 1 276.767 3.634 20 0 CHADMM CCc1nc([C@H](C)NCc2cccc([O-])c2Cl)cs1 ZINC000293728314 1127515669 /nfs/dbraw/zinc/51/56/69/1127515669.db2.gz ZBPKUPBUGDOIEI-VIFPVBQESA-N -1 1 296.823 3.915 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C1CC1 ZINC000362007565 1127606019 /nfs/dbraw/zinc/60/60/19/1127606019.db2.gz ACSJDOCXSSIAKT-INIZCTEOSA-N -1 1 281.355 3.560 20 0 CHADMM CCc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605438190 1127736076 /nfs/dbraw/zinc/73/60/76/1127736076.db2.gz RYTMWSUDRBWXHQ-UHFFFAOYSA-N -1 1 287.334 3.665 20 0 CHADMM CC/C=C\CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000469552375 1128046555 /nfs/dbraw/zinc/04/65/55/1128046555.db2.gz RGWAYGKGRTUIQY-ARJAWSKDSA-N -1 1 294.420 3.512 20 0 CHADMM CC(C)CC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000761601928 1128163253 /nfs/dbraw/zinc/16/32/53/1128163253.db2.gz HOGHGXQPBQSRQA-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2c([O-])cccc2F)C[C@H]1C ZINC000648940662 1128387427 /nfs/dbraw/zinc/38/74/27/1128387427.db2.gz YHXPDSXSBSWAEO-GMTAPVOTSA-N -1 1 265.328 3.542 20 0 CHADMM O=C(Cc1ccccc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000067739039 1128487511 /nfs/dbraw/zinc/48/75/11/1128487511.db2.gz RGYJQFCLYIJSCA-UHFFFAOYSA-N -1 1 296.153 3.880 20 0 CHADMM CC(C)=C(C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778448457 1128516562 /nfs/dbraw/zinc/51/65/62/1128516562.db2.gz YOFXEAGJXPSCQX-UHFFFAOYSA-N -1 1 298.180 3.758 20 0 CHADMM CCc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1C ZINC000565241268 1128522369 /nfs/dbraw/zinc/52/23/69/1128522369.db2.gz BQCMKKGYJNOIFC-NSHDSACASA-N -1 1 274.389 3.906 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000565898254 1128534175 /nfs/dbraw/zinc/53/41/75/1128534175.db2.gz OPRYDIJJEKWGEP-SNVBAGLBSA-N -1 1 291.322 3.618 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccnc(Cl)c1Cl ZINC001212234819 1128560250 /nfs/dbraw/zinc/56/02/50/1128560250.db2.gz WYGDHRJSZCPZBK-UHFFFAOYSA-N -1 1 290.537 3.886 20 0 CHADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129529774 1128543087 /nfs/dbraw/zinc/54/30/87/1128543087.db2.gz YLXFRHGKFKWAMM-QMTHXVAHSA-N -1 1 297.782 3.579 20 0 CHADMM Cc1nc(SC2CC3(CCC3)C2)[n-]c(=O)c1C1CC1 ZINC000918462426 1128546592 /nfs/dbraw/zinc/54/65/92/1128546592.db2.gz HDZHISHZFPURHL-UHFFFAOYSA-N -1 1 276.405 3.793 20 0 CHADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000571007127 1128636197 /nfs/dbraw/zinc/63/61/97/1128636197.db2.gz YLZIJKLLFMSYRR-SNVBAGLBSA-N -1 1 297.345 3.569 20 0 CHADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000570903384 1128634120 /nfs/dbraw/zinc/63/41/20/1128634120.db2.gz YHVFRLGMMUBRGR-ZJUUUORDSA-N -1 1 283.318 3.825 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000570903381 1128634283 /nfs/dbraw/zinc/63/42/83/1128634283.db2.gz YHVFRLGMMUBRGR-NXEZZACHSA-N -1 1 283.318 3.825 20 0 CHADMM Cc1ccc(F)c(-c2ccc(OC(F)(F)F)cn2)c1[O-] ZINC001236390990 1128745832 /nfs/dbraw/zinc/74/58/32/1128745832.db2.gz HOGKMNGXLHRXSR-UHFFFAOYSA-N -1 1 287.212 3.800 20 0 CHADMM Cc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000340265633 1118127617 /nfs/dbraw/zinc/12/76/17/1118127617.db2.gz USQCZVVOGOWTLK-UHFFFAOYSA-N -1 1 297.314 3.507 20 0 CHADMM CCC(CC)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000750951295 1118131689 /nfs/dbraw/zinc/13/16/89/1118131689.db2.gz AGPRBSGGCZFSHH-UHFFFAOYSA-N -1 1 278.373 3.920 20 0 CHADMM Cc1cccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001210037571 1118140061 /nfs/dbraw/zinc/14/00/61/1118140061.db2.gz OKPCEQRMVZICGI-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1cccc(CC(=O)Nc2cccc(F)c2[O-])c1Cl ZINC001648850764 1118258039 /nfs/dbraw/zinc/25/80/39/1118258039.db2.gz LFAJBZZXNIUUEQ-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM O=c1[nH]cc(Nc2ccc(Cl)c(Cl)c2[O-])cc1F ZINC001210606275 1118347819 /nfs/dbraw/zinc/34/78/19/1118347819.db2.gz BOSQFZHECSIIBL-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM CCCc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000116602881 1118355893 /nfs/dbraw/zinc/35/58/93/1118355893.db2.gz FIUDKAUBAZDJIV-UHFFFAOYSA-N -1 1 270.254 3.549 20 0 CHADMM CC=C(C)Nc1ccc(F)c(Br)c1[O-] ZINC001210795360 1118389996 /nfs/dbraw/zinc/38/99/96/1118389996.db2.gz FHPSZABNQLPADG-ZZXKWVIFSA-N -1 1 260.106 3.629 20 0 CHADMM CSc1ccc(Nc2cc(=O)[n-]c(SC)n2)c(F)c1 ZINC001210870491 1118412768 /nfs/dbraw/zinc/41/27/68/1118412768.db2.gz YWVHPYPGNDEKDN-UHFFFAOYSA-N -1 1 297.380 3.509 20 0 CHADMM [O-]c1c(Cl)cc(Nc2cncc(F)c2)cc1Cl ZINC001210924859 1118424468 /nfs/dbraw/zinc/42/44/68/1118424468.db2.gz UZGGVERSPRRVQT-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM CCCc1cc(=O)n(-c2ccc(Cl)cc2C)[n-]1 ZINC000196208548 1118445662 /nfs/dbraw/zinc/44/56/62/1118445662.db2.gz RGPYSHLUJJIYGW-UHFFFAOYSA-N -1 1 250.729 3.541 20 0 CHADMM CC(C)Oc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001211338404 1118504580 /nfs/dbraw/zinc/50/45/80/1118504580.db2.gz DUUIJLKSWTUWNS-UHFFFAOYSA-N -1 1 265.259 3.520 20 0 CHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1Cl ZINC000684058141 1118505625 /nfs/dbraw/zinc/50/56/25/1118505625.db2.gz VFFDRIMEZQETFI-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM COc1cc(-c2cc(F)c([O-])cc2F)cc2ncccc21 ZINC001211351756 1118507107 /nfs/dbraw/zinc/50/71/07/1118507107.db2.gz BXCWRWIMTQPNBJ-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM O=C(Cc1cccc(C(F)F)c1)Nc1c([O-])cccc1F ZINC000684136918 1118536496 /nfs/dbraw/zinc/53/64/96/1118536496.db2.gz OFZXPPTZJVTQOU-UHFFFAOYSA-N -1 1 295.260 3.650 20 0 CHADMM CC[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000684163685 1118548330 /nfs/dbraw/zinc/54/83/30/1118548330.db2.gz UCDOIONWCZRNAD-GFCCVEGCSA-N -1 1 273.307 3.664 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1csc2ccccc12 ZINC000605436643 1118622655 /nfs/dbraw/zinc/62/26/55/1118622655.db2.gz LJKKXJXLPFPTFF-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM COCc1ccc(C)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001213578408 1118724679 /nfs/dbraw/zinc/72/46/79/1118724679.db2.gz JAQZMXOUESKEJO-UHFFFAOYSA-N -1 1 279.286 3.869 20 0 CHADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000684471134 1118742884 /nfs/dbraw/zinc/74/28/84/1118742884.db2.gz RSKHEIOECZCVEH-WDEREUQCSA-N -1 1 265.328 3.686 20 0 CHADMM O=C(Nc1ccc(F)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000128604875 1118749458 /nfs/dbraw/zinc/74/94/58/1118749458.db2.gz CGZKGFIYBSCOEB-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@@H](CC(=O)[O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000657203225 1118922538 /nfs/dbraw/zinc/92/25/38/1118922538.db2.gz NRCJVVFXWKLZHK-QMMMGPOBSA-N -1 1 298.264 3.674 20 0 CHADMM CC(C)CCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870778 1119080397 /nfs/dbraw/zinc/08/03/97/1119080397.db2.gz PERPDHJSCMBVRJ-UHFFFAOYSA-N -1 1 289.297 3.577 20 0 CHADMM CC[C@@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874787 1119083943 /nfs/dbraw/zinc/08/39/43/1119083943.db2.gz YEQOECZKMDEXNF-SECBINFHSA-N -1 1 289.297 3.529 20 0 CHADMM CSc1c(F)cccc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000617275888 1128827540 /nfs/dbraw/zinc/82/75/40/1128827540.db2.gz NPVSPIVIXGKNQZ-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM [O-]c1cccc(CNc2ccc3c(c2)CCOC3)c1Cl ZINC000657679991 1119242981 /nfs/dbraw/zinc/24/29/81/1119242981.db2.gz HMNMRDBIHYFCGW-UHFFFAOYSA-N -1 1 289.762 3.730 20 0 CHADMM CCCOCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233136 1128832484 /nfs/dbraw/zinc/83/24/84/1128832484.db2.gz ISMKMJPOVNOPTI-UHFFFAOYSA-N -1 1 293.750 3.564 20 0 CHADMM Cc1ccc(/C=C/CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000092551457 1119341560 /nfs/dbraw/zinc/34/15/60/1119341560.db2.gz TVSZUUXKDOINOI-DUXPYHPUSA-N -1 1 285.318 3.882 20 0 CHADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000583873020 1119428464 /nfs/dbraw/zinc/42/84/64/1119428464.db2.gz AJELZCHAPPWPTR-DIFFPNOSSA-N -1 1 299.374 3.547 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685435745 1119606838 /nfs/dbraw/zinc/60/68/38/1119606838.db2.gz VTRYXRYMLHFPPS-GHMZBOCLSA-N -1 1 297.345 3.617 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1 ZINC000190811824 1119666579 /nfs/dbraw/zinc/66/65/79/1119666579.db2.gz VAXUUZBXEMJRIE-UHFFFAOYSA-N -1 1 251.688 3.797 20 0 CHADMM COc1cccc2c1CN(Cc1cccc([O-])c1Cl)C2 ZINC000628463009 1128863870 /nfs/dbraw/zinc/86/38/70/1128863870.db2.gz PTYWALKEJQVHMK-UHFFFAOYSA-N -1 1 289.762 3.570 20 0 CHADMM C#Cc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191557224 1119736221 /nfs/dbraw/zinc/73/62/21/1119736221.db2.gz TTWBOQQDMZRAAG-UHFFFAOYSA-N -1 1 275.710 3.778 20 0 CHADMM CC(C)CC1(CNC(=O)c2c(F)ccc([O-])c2F)CCC1 ZINC000343814965 1119768434 /nfs/dbraw/zinc/76/84/34/1119768434.db2.gz RHBFAFJXZPBHLF-UHFFFAOYSA-N -1 1 297.345 3.617 20 0 CHADMM COc1cccc(C2CC2)c1[N-]c1nnc(C(C)C)o1 ZINC001213811867 1119811909 /nfs/dbraw/zinc/81/19/09/1119811909.db2.gz AJVHZCXOWMEAGE-UHFFFAOYSA-N -1 1 273.336 3.823 20 0 CHADMM [O-]c1ccc(CN2CC[C@H]2c2ccccc2)c(F)c1F ZINC001140893579 1120080999 /nfs/dbraw/zinc/08/09/99/1120080999.db2.gz UFQDVYSTFRXVRH-ZDUSSCGKSA-N -1 1 275.298 3.617 20 0 CHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628960198 1128889335 /nfs/dbraw/zinc/88/93/35/1128889335.db2.gz KACAYLJQUNLRHR-VHSXEESVSA-N -1 1 265.328 3.542 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1cncc(F)c1 ZINC000362179635 1120116969 /nfs/dbraw/zinc/11/69/69/1120116969.db2.gz GNLILFHPQNCZIJ-UHFFFAOYSA-N -1 1 294.326 3.724 20 0 CHADMM [O-]c1c(F)cc(CN2CC[C@H]2c2ccccc2)cc1F ZINC001140990576 1120164787 /nfs/dbraw/zinc/16/47/87/1120164787.db2.gz HUKIQDCJAHCBOF-HNNXBMFYSA-N -1 1 275.298 3.617 20 0 CHADMM Cc1oc([C@@H](C)[N@@H+](C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000565102354 1120181560 /nfs/dbraw/zinc/18/15/60/1120181560.db2.gz HDAAQMKXBMTZFN-SNVBAGLBSA-N -1 1 291.322 3.618 20 0 CHADMM Cc1oc([C@@H](C)N(C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000565102354 1120181562 /nfs/dbraw/zinc/18/15/62/1120181562.db2.gz HDAAQMKXBMTZFN-SNVBAGLBSA-N -1 1 291.322 3.618 20 0 CHADMM Cc1oc([C@H](C)[N@@H+](C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000565102352 1120181599 /nfs/dbraw/zinc/18/15/99/1120181599.db2.gz HDAAQMKXBMTZFN-JTQLQIEISA-N -1 1 291.322 3.618 20 0 CHADMM Cc1oc([C@H](C)N(C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000565102352 1120181602 /nfs/dbraw/zinc/18/16/02/1120181602.db2.gz HDAAQMKXBMTZFN-JTQLQIEISA-N -1 1 291.322 3.618 20 0 CHADMM Cc1c(=O)[n-]c(SC[C@H]2C[C@H]2C)nc1-c1ccccc1 ZINC000629174910 1128900316 /nfs/dbraw/zinc/90/03/16/1128900316.db2.gz ZSMZSHNGOCLAJV-ZWNOBZJWSA-N -1 1 286.400 3.906 20 0 CHADMM [O-]c1cccnc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212481036 1120359093 /nfs/dbraw/zinc/35/90/93/1120359093.db2.gz WWQRZILRQOOKIJ-UHFFFAOYSA-N -1 1 295.323 3.719 20 0 CHADMM O=C(N[C@H]1CCCC12CCCCC2)c1ccc([O-])cc1F ZINC000312983049 1120380637 /nfs/dbraw/zinc/38/06/37/1120380637.db2.gz LBHAOGMMVVNUIM-HNNXBMFYSA-N -1 1 291.366 3.764 20 0 CHADMM COc1c(F)ccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001212503561 1120413024 /nfs/dbraw/zinc/41/30/24/1120413024.db2.gz ORPMFSMCXPHAQH-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1ccc2oc(C[N-]c3nnc(C(F)F)o3)cc2c1 ZINC000682527184 1120418358 /nfs/dbraw/zinc/41/83/58/1120418358.db2.gz IKENOQQWBPXXRW-UHFFFAOYSA-N -1 1 279.246 3.674 20 0 CHADMM C[C@@H](C(=O)[N-]Oc1ccc(F)cc1)[C@H](C)C(C)(C)C ZINC001641058378 1128918969 /nfs/dbraw/zinc/91/89/69/1128918969.db2.gz AJBMLZJCEPSGPZ-MNOVXSKESA-N -1 1 267.344 3.554 20 0 CHADMM COC1(c2noc(-c3ccc4ccccc4c3[O-])n2)CCC1 ZINC000388377733 1120537884 /nfs/dbraw/zinc/53/78/84/1120537884.db2.gz WKQUNUVKUMBSJC-UHFFFAOYSA-N -1 1 296.326 3.621 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC2(CCCCC2)CC1 ZINC000227685929 1120540638 /nfs/dbraw/zinc/54/06/38/1120540638.db2.gz XOPJKVQOVOSHEB-UHFFFAOYSA-N -1 1 291.366 3.718 20 0 CHADMM Cc1ccccc1C1(NC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000652515712 1120874729 /nfs/dbraw/zinc/87/47/29/1120874729.db2.gz KRTNJQOTIIIELE-UHFFFAOYSA-N -1 1 299.345 3.649 20 0 CHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC12CCCC2 ZINC000652571447 1120887572 /nfs/dbraw/zinc/88/75/72/1120887572.db2.gz VBFIEAHDISRGTA-UHFFFAOYSA-N -1 1 299.292 3.570 20 0 CHADMM Cc1ccc2[nH]c(SCC(=O)c3ccc([O-])cc3)nc2c1 ZINC000007061320 1120970317 /nfs/dbraw/zinc/97/03/17/1120970317.db2.gz IVTUTAANOKPFKQ-UHFFFAOYSA-N -1 1 298.367 3.552 20 0 CHADMM Cc1ccc2nc(SCC(=O)c3ccc([O-])cc3)[nH]c2c1 ZINC000007061320 1120970320 /nfs/dbraw/zinc/97/03/20/1120970320.db2.gz IVTUTAANOKPFKQ-UHFFFAOYSA-N -1 1 298.367 3.552 20 0 CHADMM CCCCCC[C@@H](CC)CN(C)C(=O)c1ccc([O-])cn1 ZINC001167821511 1120987794 /nfs/dbraw/zinc/98/77/94/1120987794.db2.gz CEEOVPIPKDFGMM-CQSZACIVSA-N -1 1 292.423 3.856 20 0 CHADMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001167822814 1120992330 /nfs/dbraw/zinc/99/23/30/1120992330.db2.gz KFPGTRABAKXCCL-INIZCTEOSA-N -1 1 299.345 3.647 20 0 CHADMM CC(C)Oc1ccc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001174764210 1121023574 /nfs/dbraw/zinc/02/35/74/1121023574.db2.gz FQYAPHNGTRCSKG-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM Cc1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001174884113 1121058856 /nfs/dbraw/zinc/05/88/56/1121058856.db2.gz HPCVZIGRIQJBST-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COc1cc(F)c(Nc2cc(F)c([O-])cc2F)cc1F ZINC001174931369 1121083647 /nfs/dbraw/zinc/08/36/47/1121083647.db2.gz RLNBVOWTXOEAJQ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COc1c(C)cc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001174998126 1121125378 /nfs/dbraw/zinc/12/53/78/1121125378.db2.gz OEVAGMQRUVBWPX-UHFFFAOYSA-N -1 1 278.739 3.810 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])cc2F)ccc1C ZINC001175018087 1121136610 /nfs/dbraw/zinc/13/66/10/1121136610.db2.gz QHUMYLBQFHVBIT-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM Cc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c2ccccc12 ZINC001174986614 1121142833 /nfs/dbraw/zinc/14/28/33/1121142833.db2.gz GKOIRQAXWLJYDY-UHFFFAOYSA-N -1 1 289.338 3.775 20 0 CHADMM Cc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)c2ccccc12 ZINC001174986297 1121142871 /nfs/dbraw/zinc/14/28/71/1121142871.db2.gz BHESLUBWJRKJCC-UHFFFAOYSA-N -1 1 289.338 3.775 20 0 CHADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000085069736 1121175467 /nfs/dbraw/zinc/17/54/67/1121175467.db2.gz OIRXPYFIJLCRJI-CMPLNLGQSA-N -1 1 281.783 3.744 20 0 CHADMM Cc1cscc1-c1nc2cccc(F)c2c(=O)[n-]1 ZINC000674767857 1121179085 /nfs/dbraw/zinc/17/90/85/1121179085.db2.gz YGKZBOBMVCEISM-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1coc(-c2cccc(NC(=O)c3ccccc3[O-])c2)n1 ZINC000163422159 1121179329 /nfs/dbraw/zinc/17/93/29/1121179329.db2.gz LJJVNKGUJQXKBP-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM CCOc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001175092340 1121182024 /nfs/dbraw/zinc/18/20/24/1121182024.db2.gz GCFQQGCZYASCGF-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM CC(=O)c1ccc(C)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175097077 1121184624 /nfs/dbraw/zinc/18/46/24/1121184624.db2.gz OCLXXVPDJAXCOP-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM COc1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001175120708 1121190924 /nfs/dbraw/zinc/19/09/24/1121190924.db2.gz VEOBZWXWASPBIM-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000010163039 1121195218 /nfs/dbraw/zinc/19/52/18/1121195218.db2.gz DMCIIUSGTPLPRG-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CCOc1cccc(F)c1Nc1c([O-])cc(F)cc1F ZINC001175225126 1121232091 /nfs/dbraw/zinc/23/20/91/1121232091.db2.gz XSWPHWPVVRNUFZ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001175232621 1121234600 /nfs/dbraw/zinc/23/46/00/1121234600.db2.gz NZAYKTBZHXXVPG-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])c(C)c1 ZINC001175242430 1121242041 /nfs/dbraw/zinc/24/20/41/1121242041.db2.gz GHFWNSYFEQSGEW-UHFFFAOYSA-N -1 1 278.739 3.891 20 0 CHADMM CCOc1c(F)cccc1[N-]c1noc(C(C)(C)C)n1 ZINC001212533445 1121242771 /nfs/dbraw/zinc/24/27/71/1121242771.db2.gz KETHXENRWXIBRM-UHFFFAOYSA-N -1 1 279.315 3.649 20 0 CHADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2)c(F)c1 ZINC001175248302 1121245434 /nfs/dbraw/zinc/24/54/34/1121245434.db2.gz KFRIGLZWTAVYSH-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1cc(F)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001175290421 1121257195 /nfs/dbraw/zinc/25/71/95/1121257195.db2.gz BMRKYAUXTQGYFY-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)c(F)c1 ZINC001175268560 1121269351 /nfs/dbraw/zinc/26/93/51/1121269351.db2.gz UCFFPBMOWSQHCG-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc2ncccc2c1 ZINC001175375815 1121304237 /nfs/dbraw/zinc/30/42/37/1121304237.db2.gz YYDMRARRTFNRPT-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM COc1ncc([N-]c2cc(-c3ccc(F)cc3)no2)s1 ZINC001175387474 1121310581 /nfs/dbraw/zinc/31/05/81/1121310581.db2.gz XRYSQZXPNYCBCV-UHFFFAOYSA-N -1 1 291.307 3.689 20 0 CHADMM COc1ncc([N-]c2cc(C3CCCCC3)no2)s1 ZINC001175387535 1121310849 /nfs/dbraw/zinc/31/08/49/1121310849.db2.gz VMVIWVNKBPJZFY-UHFFFAOYSA-N -1 1 279.365 3.931 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cccc(CO)c1 ZINC001175518543 1121359195 /nfs/dbraw/zinc/35/91/95/1121359195.db2.gz NZZAVIFCXFQUPA-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM CCc1cc(C(=O)Nc2c([O-])cccc2F)oc1CC ZINC000676050896 1121402381 /nfs/dbraw/zinc/40/23/81/1121402381.db2.gz DUYQSEMTOWOBQJ-UHFFFAOYSA-N -1 1 277.295 3.501 20 0 CHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000676698254 1121456107 /nfs/dbraw/zinc/45/61/07/1121456107.db2.gz SEZIOBNRGAUXPD-UWVGGRQHSA-N -1 1 291.347 3.643 20 0 CHADMM Fc1ccc(-c2cc([N-]c3cscn3)on2)cc1 ZINC001175941804 1121490844 /nfs/dbraw/zinc/49/08/44/1121490844.db2.gz FNPMLCFARVVESS-UHFFFAOYSA-N -1 1 261.281 3.681 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cscn1 ZINC001175943769 1121490931 /nfs/dbraw/zinc/49/09/31/1121490931.db2.gz CENROVXYZZABDK-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccccc2Br)c1=O ZINC000614184540 1121509726 /nfs/dbraw/zinc/50/97/26/1121509726.db2.gz BUXOAQIABWPHQS-JTQLQIEISA-N -1 1 295.180 3.588 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccccc2C(F)(F)F)c1=O ZINC000614185915 1121514202 /nfs/dbraw/zinc/51/42/02/1121514202.db2.gz ZRRXRCRQGSKZGM-JTQLQIEISA-N -1 1 284.281 3.844 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])cc2F)c(F)cc1F ZINC001176110729 1121554350 /nfs/dbraw/zinc/55/43/50/1121554350.db2.gz AVVDJPKGCZWKCP-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC000773564476 1121593579 /nfs/dbraw/zinc/59/35/79/1121593579.db2.gz FIYRHBYMNKRIQR-SECBINFHSA-N -1 1 278.254 3.588 20 0 CHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1c(F)cccc1F ZINC000773574141 1121607282 /nfs/dbraw/zinc/60/72/82/1121607282.db2.gz AJUXVNZSQRFWLX-MRVPVSSYSA-N -1 1 296.244 3.728 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000773576298 1121614222 /nfs/dbraw/zinc/61/42/22/1121614222.db2.gz NPTAUYHIEMXTBW-QMMMGPOBSA-N -1 1 296.244 3.728 20 0 CHADMM CCOc1cc([N-]c2nnc(C(C)(C)C)s2)c(F)cn1 ZINC001176600820 1121669246 /nfs/dbraw/zinc/66/92/46/1121669246.db2.gz KGVMSZLHJAXPDW-UHFFFAOYSA-N -1 1 296.371 3.512 20 0 CHADMM C[C@H](O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671008 1121670817 /nfs/dbraw/zinc/67/08/17/1121670817.db2.gz QOQRJYYTJDSRFD-ZETCQYMHSA-N -1 1 283.249 3.606 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2Cl)c1F ZINC001176663816 1121672080 /nfs/dbraw/zinc/67/20/80/1121672080.db2.gz JAFWZYJJNUHXTR-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)[C@H](O)CC3)c1F ZINC001176672564 1121672627 /nfs/dbraw/zinc/67/26/27/1121672627.db2.gz MRXMUWHGTGRZOM-GFCCVEGCSA-N -1 1 295.260 3.533 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)c(C)cc1N ZINC001176672890 1121672775 /nfs/dbraw/zinc/67/27/75/1121672775.db2.gz NGXBSPXXADKZQS-UHFFFAOYSA-N -1 1 282.265 3.752 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3nnsc3c2)c1F ZINC001176674191 1121672788 /nfs/dbraw/zinc/67/27/88/1121672788.db2.gz RWJTYOKJTQJAGU-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C ZINC001176672469 1121673627 /nfs/dbraw/zinc/67/36/27/1121673627.db2.gz XBFVSLBAOYOPQG-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Cc1cc(C)nc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176662590 1121678660 /nfs/dbraw/zinc/67/86/60/1121678660.db2.gz SPAMCIDNPHTGOK-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(C(C)C)n1 ZINC001176663062 1121678695 /nfs/dbraw/zinc/67/86/95/1121678695.db2.gz AYVYRJCIQYXELA-UHFFFAOYSA-N -1 1 285.269 3.639 20 0 CHADMM COCOc1ccc(F)cc1Nc1c([O-])cc(F)cc1F ZINC001176718749 1121691662 /nfs/dbraw/zinc/69/16/62/1121691662.db2.gz UEJLYXAWDNBVNQ-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2cnc3[nH]ccc3c2)c([O-])c1 ZINC001177490509 1121733298 /nfs/dbraw/zinc/73/32/98/1121733298.db2.gz XFTMOCPTVZVOJG-UHFFFAOYSA-N -1 1 295.342 3.596 20 0 CHADMM O=C(Nc1ccccc1O)c1ccc2ccccc2c1[O-] ZINC000028649079 1121777507 /nfs/dbraw/zinc/77/75/07/1121777507.db2.gz DJWVHMWOWWLJIF-UHFFFAOYSA-N -1 1 279.295 3.503 20 0 CHADMM Cc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179655985 1121895308 /nfs/dbraw/zinc/89/53/08/1121895308.db2.gz LQEGNAWXBSYWDB-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM O=C(Cc1cccc(F)c1)Nc1cc(F)c([O-])cc1Cl ZINC001179656573 1121895445 /nfs/dbraw/zinc/89/54/45/1121895445.db2.gz TUVBVJHANCTWNA-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3c2OCO3)cc1Cl ZINC001250022032 1122081465 /nfs/dbraw/zinc/08/14/65/1122081465.db2.gz DGTBDOJPCGMXAV-UHFFFAOYSA-N -1 1 281.670 3.657 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](C2CCCC2)C1 ZINC000421657550 1122147171 /nfs/dbraw/zinc/14/71/71/1122147171.db2.gz TZXIAAVGUDQJOM-LBPRGKRZSA-N -1 1 293.794 3.698 20 0 CHADMM CN(CC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271833156 1122177889 /nfs/dbraw/zinc/17/78/89/1122177889.db2.gz GFTDEHSAKFNPLB-UHFFFAOYSA-N -1 1 289.297 3.529 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000031665461 1122293788 /nfs/dbraw/zinc/29/37/88/1122293788.db2.gz MTECKYOCPGWIHZ-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CCCCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185391754 1122335504 /nfs/dbraw/zinc/33/55/04/1122335504.db2.gz NZGYRFMCCNHJPK-UHFFFAOYSA-N -1 1 295.429 3.892 20 0 CHADMM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185391364 1122336063 /nfs/dbraw/zinc/33/60/63/1122336063.db2.gz HVDQMRGTIGUVFS-UHFFFAOYSA-N -1 1 299.392 3.811 20 0 CHADMM O=C(Nc1cc2ccccc2cc1O)c1ccc([O-])cc1F ZINC001186329321 1122386236 /nfs/dbraw/zinc/38/62/36/1122386236.db2.gz PUTCGPYOCFBBKK-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)c([O-])c(F)c1)C1CCCCC1 ZINC001186343637 1122387825 /nfs/dbraw/zinc/38/78/25/1122387825.db2.gz UUFQDKRJKUSXEZ-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM O=C(NCC1CCCCC1)Nc1ccc(Cl)cc1[O-] ZINC001186880882 1122411071 /nfs/dbraw/zinc/41/10/71/1122411071.db2.gz MWORIJCCJFWIIC-UHFFFAOYSA-N -1 1 282.771 3.747 20 0 CHADMM O=C(Nc1ccc(F)c(Cl)c1)Nc1c([O-])cccc1F ZINC001187696081 1122439749 /nfs/dbraw/zinc/43/97/49/1122439749.db2.gz KAFMIVPXTFMATF-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1F ZINC001187961492 1122448546 /nfs/dbraw/zinc/44/85/46/1122448546.db2.gz CMLVUMROSZWXEC-UHFFFAOYSA-N -1 1 295.701 3.532 20 0 CHADMM CCN(C(=O)c1ccc2ccccc2c1[O-])C1CCC1 ZINC000436527933 1122558882 /nfs/dbraw/zinc/55/88/82/1122558882.db2.gz JKTRFZQNJSBXCI-UHFFFAOYSA-N -1 1 269.344 3.560 20 0 CHADMM CC(C)c1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1 ZINC000436594468 1122563411 /nfs/dbraw/zinc/56/34/11/1122563411.db2.gz JAOXXYOHERPTGP-UHFFFAOYSA-N -1 1 299.345 3.858 20 0 CHADMM CCOc1cc(Cl)ccc1NC(=O)c1ccccc1[O-] ZINC000436586896 1122564031 /nfs/dbraw/zinc/56/40/31/1122564031.db2.gz NSMKEUMIXUUFKP-UHFFFAOYSA-N -1 1 291.734 3.697 20 0 CHADMM C[C@@H](Cc1noc(-c2ccc([O-])cc2F)n1)c1ccccc1 ZINC000436685803 1122571800 /nfs/dbraw/zinc/57/18/00/1122571800.db2.gz BXSDBRAZJDMHSM-NSHDSACASA-N -1 1 298.317 3.928 20 0 CHADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC12CCC2 ZINC000436720451 1122574857 /nfs/dbraw/zinc/57/48/57/1122574857.db2.gz JXBUNHZSIYSDTM-NSHDSACASA-N -1 1 293.794 3.698 20 0 CHADMM Cc1ccccc1CN(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436761396 1122578207 /nfs/dbraw/zinc/57/82/07/1122578207.db2.gz ZHQVDGGNSAUXIP-UHFFFAOYSA-N -1 1 299.345 3.645 20 0 CHADMM CCN(CC(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751723 1122579524 /nfs/dbraw/zinc/57/95/24/1122579524.db2.gz NLBOIFHOVZRWDD-UHFFFAOYSA-N -1 1 289.297 3.529 20 0 CHADMM CC(=O)c1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436831588 1122585896 /nfs/dbraw/zinc/58/58/96/1122585896.db2.gz XOZGOESEMMRNFZ-UHFFFAOYSA-N -1 1 297.354 3.971 20 0 CHADMM CC1(Cc2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000436872797 1122590461 /nfs/dbraw/zinc/59/04/61/1122590461.db2.gz LCQQHEKPIIBXKG-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877427 1122591588 /nfs/dbraw/zinc/59/15/88/1122591588.db2.gz GJGNGGMUKSKVJT-ABAIWWIYSA-N -1 1 276.311 3.731 20 0 CHADMM CCc1ccccc1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000436888493 1122592249 /nfs/dbraw/zinc/59/22/49/1122592249.db2.gz NIFTUVQWPXIIJT-UHFFFAOYSA-N -1 1 296.326 3.680 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCC2)c2ccccc21 ZINC000436891640 1122592679 /nfs/dbraw/zinc/59/26/79/1122592679.db2.gz YAKKURRTDACNRP-UHFFFAOYSA-N -1 1 297.329 3.613 20 0 CHADMM CC[C@]1(C)Oc2ccc(NC(=O)c3ccccc3[O-])cc2O1 ZINC000436911562 1122593671 /nfs/dbraw/zinc/59/36/71/1122593671.db2.gz SZPWSZWVVRDBQD-QGZVFWFLSA-N -1 1 299.326 3.542 20 0 CHADMM CC(C)CC1(C)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436922918 1122594273 /nfs/dbraw/zinc/59/42/73/1122594273.db2.gz RNWKONYUQHKKSK-UHFFFAOYSA-N -1 1 293.382 3.820 20 0 CHADMM Cc1cc(O)ccc1-c1nc2ccc(C(C)C)cc2c(=O)[n-]1 ZINC000436924587 1122595909 /nfs/dbraw/zinc/59/59/09/1122595909.db2.gz XFPQRDGJMHOOIQ-UHFFFAOYSA-N -1 1 294.354 3.728 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000436924231 1122596168 /nfs/dbraw/zinc/59/61/68/1122596168.db2.gz WFPSSCWVSCBTFH-HNNXBMFYSA-N -1 1 295.382 3.808 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001191411271 1122599114 /nfs/dbraw/zinc/59/91/14/1122599114.db2.gz JDWHILDUMXZXTC-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cccc(O)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436950709 1122599260 /nfs/dbraw/zinc/59/92/60/1122599260.db2.gz OJDRUTAJQSNVAH-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM Cc1cccc(C)c1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436976154 1122600410 /nfs/dbraw/zinc/60/04/10/1122600410.db2.gz BCXKVQXPYNZGON-LBPRGKRZSA-N -1 1 287.334 3.639 20 0 CHADMM Cc1cc(NC(=O)Nc2cc([O-])c(F)cc2F)ccc1F ZINC001192391410 1122644958 /nfs/dbraw/zinc/64/49/58/1122644958.db2.gz GJKQLTNMEOGNFK-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N(CCC1CC1)CC1CC1 ZINC000620628696 1129069212 /nfs/dbraw/zinc/06/92/12/1129069212.db2.gz KMOWBZQKKNSOEX-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CC1(C)CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000438487581 1122703557 /nfs/dbraw/zinc/70/35/57/1122703557.db2.gz JTHABVHSVSWJJR-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])oc1C ZINC000153718828 1129075483 /nfs/dbraw/zinc/07/54/83/1129075483.db2.gz LEIXXEHYMUJVFA-UHFFFAOYSA-N -1 1 265.696 3.508 20 0 CHADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000439072102 1122751588 /nfs/dbraw/zinc/75/15/88/1122751588.db2.gz QKBMCECNCXCEAA-YPMHNXCESA-N -1 1 299.374 3.547 20 0 CHADMM [O-]c1c(F)cc(F)cc1NC(=S)Nc1ccccc1F ZINC001195784343 1122888812 /nfs/dbraw/zinc/88/88/12/1122888812.db2.gz JKVUFIHFWHAZAC-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CCc1ccc([C@@H](NCc2sccc2C)C(=O)[O-])cc1 ZINC000426812141 1122916850 /nfs/dbraw/zinc/91/68/50/1122916850.db2.gz PUASONHYVJXFRO-OAHLLOKOSA-N -1 1 289.400 3.534 20 0 CHADMM CC[C@H](F)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000440604963 1123021034 /nfs/dbraw/zinc/02/10/34/1123021034.db2.gz XUEXRTRGGTWWMG-LBPRGKRZSA-N -1 1 292.379 3.998 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cncc(O)c1 ZINC001201642164 1123135383 /nfs/dbraw/zinc/13/53/83/1123135383.db2.gz NYOFXDOVJPGRGK-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Nc1c(F)cccc1F ZINC001202041670 1123172762 /nfs/dbraw/zinc/17/27/62/1123172762.db2.gz GEJMOZZUZIEOMP-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCOc1ccccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001202145356 1123177975 /nfs/dbraw/zinc/17/79/75/1123177975.db2.gz SZSWUWSBKRWQNI-UHFFFAOYSA-N -1 1 290.294 3.574 20 0 CHADMM C[C@H](CCNC(=O)c1ccc([O-])cc1F)CC(C)(C)C ZINC000443396285 1123395357 /nfs/dbraw/zinc/39/53/57/1123395357.db2.gz WSENDRMFRZOGEZ-LLVKDONJSA-N -1 1 281.371 3.724 20 0 CHADMM CCc1[n-]n(-c2nccc3sccc32)c(=O)c1C(C)C ZINC000634596980 1129120300 /nfs/dbraw/zinc/12/03/00/1129120300.db2.gz XZQFEDRCAPGUTB-CYBMUJFWSA-N -1 1 287.388 3.681 20 0 CHADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCCCC2 ZINC000634632164 1129122452 /nfs/dbraw/zinc/12/24/52/1129122452.db2.gz LATNLNURQVLXKF-BBRMVZONSA-N -1 1 286.350 3.592 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1C[C@H]1C1CCC1 ZINC000885680571 1123486525 /nfs/dbraw/zinc/48/65/25/1123486525.db2.gz UTKVLMHJMCJHGZ-DTWKUNHWSA-N -1 1 283.730 3.559 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC(C2CCC2)CC1 ZINC000855437501 1123521055 /nfs/dbraw/zinc/52/10/55/1123521055.db2.gz FZRSSTBOZQAVDE-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CCCc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000011869754 1123615009 /nfs/dbraw/zinc/61/50/09/1123615009.db2.gz YEFQSZCNRTVEGN-UHFFFAOYSA-N -1 1 285.343 3.606 20 0 CHADMM CC(C)CC[C@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389564 1123650194 /nfs/dbraw/zinc/65/01/94/1123650194.db2.gz XLMIITSIVJQHPW-GHMZBOCLSA-N -1 1 283.803 3.852 20 0 CHADMM O=c1nc(Cl)cc(Oc2cccc3c2CCCC3)[n-]1 ZINC000858432882 1123653743 /nfs/dbraw/zinc/65/37/43/1123653743.db2.gz OGTOSQUWLWTKIE-UHFFFAOYSA-N -1 1 276.723 3.507 20 0 CHADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1CC(C)(C)C1 ZINC000395391527 1123661075 /nfs/dbraw/zinc/66/10/75/1123661075.db2.gz AIEHYNYGJRFVEP-UHFFFAOYSA-N -1 1 283.371 3.806 20 0 CHADMM CCC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858568962 1123663123 /nfs/dbraw/zinc/66/31/23/1123663123.db2.gz TYBCKFHDRMCGKG-JTQLQIEISA-N -1 1 269.776 3.606 20 0 CHADMM C[C@H](NC(=O)Nc1cccc([O-])c1Cl)c1ccccc1 ZINC001202506774 1123820712 /nfs/dbraw/zinc/82/07/12/1123820712.db2.gz GHCYQJSOKRXAMH-JTQLQIEISA-N -1 1 290.750 3.928 20 0 CHADMM O=C1CCC(Oc2cc(Cl)c([O-])cc2Cl)CC1 ZINC001227641549 1123836399 /nfs/dbraw/zinc/83/63/99/1123836399.db2.gz PCUNVXFBBVJYQX-UHFFFAOYSA-N -1 1 275.131 3.590 20 0 CHADMM CC(C)Cc1nsc([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000302442253 1123968361 /nfs/dbraw/zinc/96/83/61/1123968361.db2.gz QSBSQJUFVNHOSV-JTQLQIEISA-N -1 1 291.424 3.648 20 0 CHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897299859 1123993318 /nfs/dbraw/zinc/99/33/18/1123993318.db2.gz ATWPKABCKRQZQG-WCQYABFASA-N -1 1 299.370 3.654 20 0 CHADMM Cc1cc2cc[nH]c2cc1NC(=O)c1cc(F)ccc1[O-] ZINC000444450503 1124035358 /nfs/dbraw/zinc/03/53/58/1124035358.db2.gz PWEJELYANLZCJK-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([O-])cc1F ZINC000444456708 1124037221 /nfs/dbraw/zinc/03/72/21/1124037221.db2.gz XFCCYAZDRAVHGH-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1F ZINC000445464961 1124083642 /nfs/dbraw/zinc/08/36/42/1124083642.db2.gz WQFTZWWKWSLRPE-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@@H]1CC[C@@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445469439 1124083825 /nfs/dbraw/zinc/08/38/25/1124083825.db2.gz HYDMVOYGRJQXKE-NXEZZACHSA-N -1 1 276.311 3.560 20 0 CHADMM CCC[C@@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455607 1124084622 /nfs/dbraw/zinc/08/46/22/1124084622.db2.gz FGPZNGOCKZJDQZ-SECBINFHSA-N -1 1 264.300 3.560 20 0 CHADMM CC(C)(C)CCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445471653 1124084741 /nfs/dbraw/zinc/08/47/41/1124084741.db2.gz HWCMLGFAZZIKMF-UHFFFAOYSA-N -1 1 278.327 3.950 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(F)cc3F)n2)c(F)c1 ZINC000445452409 1124084979 /nfs/dbraw/zinc/08/49/79/1124084979.db2.gz CJRCCZRWFDVSCV-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM C[C@H]1CC[C@@H](Cc2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445453702 1124085036 /nfs/dbraw/zinc/08/50/36/1124085036.db2.gz CGWZXQQVCFNRGV-VHSXEESVSA-N -1 1 276.311 3.560 20 0 CHADMM Cc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445483051 1124086873 /nfs/dbraw/zinc/08/68/73/1124086873.db2.gz UVMSJPHCGYZCTF-UHFFFAOYSA-N -1 1 290.319 3.542 20 0 CHADMM [O-]c1ccc(-c2noc(CC3CCCCC3)n2)cc1F ZINC000445474329 1124087060 /nfs/dbraw/zinc/08/70/60/1124087060.db2.gz QHTOHPHRARQREF-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM CSc1nc(O[C@H](C)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC001228092163 1124135043 /nfs/dbraw/zinc/13/50/43/1124135043.db2.gz AQUTYOLVIUCGDS-MRVPVSSYSA-N -1 1 296.779 3.698 20 0 CHADMM CCCCCc1nnc([N-]C(=O)c2sccc2F)s1 ZINC000339078442 1124452465 /nfs/dbraw/zinc/45/24/65/1124452465.db2.gz YVNMMLTXVQTBMF-UHFFFAOYSA-N -1 1 299.396 3.724 20 0 CHADMM COc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000526943034 1124532059 /nfs/dbraw/zinc/53/20/59/1124532059.db2.gz ZIVSUMXHGIQBBM-VIFPVBQESA-N -1 1 299.798 3.561 20 0 CHADMM Cc1c(Cl)ccc2c1C[N@@H+](CCCCCC(=O)[O-])CC2 ZINC000872165975 1124697088 /nfs/dbraw/zinc/69/70/88/1124697088.db2.gz PVSVGNCLBHDDSD-UHFFFAOYSA-N -1 1 295.810 3.652 20 0 CHADMM COC(=O)c1nc2ccc(-c3coc4ccccc43)cc2[n-]1 ZINC001239060045 1131297184 /nfs/dbraw/zinc/29/71/84/1131297184.db2.gz DXDVUZOGTRYKTR-UHFFFAOYSA-N -1 1 292.294 3.763 20 0 CHADMM COC(=O)c1nc2cc(-c3coc4ccccc43)ccc2[n-]1 ZINC001239060045 1131297188 /nfs/dbraw/zinc/29/71/88/1131297188.db2.gz DXDVUZOGTRYKTR-UHFFFAOYSA-N -1 1 292.294 3.763 20 0 CHADMM CC(C)C(CNC(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000229572950 1124817936 /nfs/dbraw/zinc/81/79/36/1124817936.db2.gz GAGORPKSUHCSFE-UHFFFAOYSA-N -1 1 283.799 3.704 20 0 CHADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)[C@H]1c1ccccc1 ZINC001136401290 1131313237 /nfs/dbraw/zinc/31/32/37/1131313237.db2.gz NYTRJLYCHACBHU-INIZCTEOSA-N -1 1 299.345 3.755 20 0 CHADMM COc1cnc(C=Cc2csc3ccccc23)[n-]c1=O ZINC000821008076 1131318381 /nfs/dbraw/zinc/31/83/81/1131318381.db2.gz NERJOKXUNXQPOR-SREVYHEPSA-N -1 1 284.340 3.576 20 0 CHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395919 1124944004 /nfs/dbraw/zinc/94/40/04/1124944004.db2.gz SDOVZCBTQSBBHU-ZYHUDNBSSA-N -1 1 296.798 3.518 20 0 CHADMM CC[C@H](OC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539757 1124985801 /nfs/dbraw/zinc/98/58/01/1124985801.db2.gz TXUNHUYCRNYTGB-ZDUSSCGKSA-N -1 1 293.750 3.562 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCc2sccc21 ZINC000530006485 1125109075 /nfs/dbraw/zinc/10/90/75/1125109075.db2.gz SQFOSEQGHLVXRE-SNVBAGLBSA-N -1 1 291.347 3.651 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)s1 ZINC000024070706 1125165404 /nfs/dbraw/zinc/16/54/04/1125165404.db2.gz QQNRYFRLBWQUKJ-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc(F)c(F)c1 ZINC000532267156 1125245550 /nfs/dbraw/zinc/24/55/50/1125245550.db2.gz FKVBXAJQSTVUMX-QMMMGPOBSA-N -1 1 295.260 3.552 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccsc2)nn1 ZINC001240696219 1129321200 /nfs/dbraw/zinc/32/12/00/1129321200.db2.gz HZMPEAPVMPFTRZ-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM CC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000735326669 1129338855 /nfs/dbraw/zinc/33/88/55/1129338855.db2.gz LVKMFVORXWAZEZ-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM Cc1cc2[nH]c(C(=O)Nc3c([O-])cccc3F)cc2c(C)c1 ZINC000735925002 1129361353 /nfs/dbraw/zinc/36/13/53/1129361353.db2.gz LEVDTJQXTYORNH-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM CCn1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccc1=O ZINC001212913368 1129394184 /nfs/dbraw/zinc/39/41/84/1129394184.db2.gz BLUBXBUVYRQNRL-UHFFFAOYSA-N -1 1 299.157 3.624 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(F)c3cc[nH]c32)c(F)c1 ZINC001241122288 1129461091 /nfs/dbraw/zinc/46/10/91/1129461091.db2.gz LKLJHWCYAIHYOP-UHFFFAOYSA-N -1 1 263.218 3.958 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC2(C1)CCCCC2 ZINC000743702611 1129534527 /nfs/dbraw/zinc/53/45/27/1129534527.db2.gz QVJIDXPXJBHNGB-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743720212 1129535359 /nfs/dbraw/zinc/53/53/59/1129535359.db2.gz VCDFNUCKOALZMF-ZJUUUORDSA-N -1 1 269.772 3.600 20 0 CHADMM O=C([O-])c1cccc(CNC2(c3ccccc3F)CCC2)c1 ZINC000647466051 1129578650 /nfs/dbraw/zinc/57/86/50/1129578650.db2.gz LUSIZIWXXGAUMR-UHFFFAOYSA-N -1 1 299.345 3.693 20 0 CHADMM CCCCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744768761 1129585970 /nfs/dbraw/zinc/58/59/70/1129585970.db2.gz HLDOFSLANKQXGP-UHFFFAOYSA-N -1 1 292.375 3.651 20 0 CHADMM CCOC(=O)c1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242217603 1129684075 /nfs/dbraw/zinc/68/40/75/1129684075.db2.gz GISFMLLDOOONSU-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM [O-]c1cc(F)ccc1-c1ccc(OC(F)F)cc1F ZINC001242220709 1129696434 /nfs/dbraw/zinc/69/64/34/1129696434.db2.gz MHEIARJNGWMLBL-UHFFFAOYSA-N -1 1 272.197 3.939 20 0 CHADMM Nc1cc2nn(-c3ccc(Cl)c([O-])c3)cc2cc1Cl ZINC001212595518 1129759889 /nfs/dbraw/zinc/75/98/89/1129759889.db2.gz XNXRWJCGCJWABK-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM O=C(NCc1ccc2ccccc2c1)c1ccc([O-])c(F)c1 ZINC000767297814 1129784902 /nfs/dbraw/zinc/78/49/02/1129784902.db2.gz CBQQQEWMJMXGEW-UHFFFAOYSA-N -1 1 295.313 3.615 20 0 CHADMM C[C@H]1C(=O)Nc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364140 1129797171 /nfs/dbraw/zinc/79/71/71/1129797171.db2.gz DIWQBMPXTDSZLZ-MRVPVSSYSA-N -1 1 273.719 3.768 20 0 CHADMM CCOc1ccc(-c2cccc(Cl)c2[O-])c(OCC)n1 ZINC001242368155 1129799677 /nfs/dbraw/zinc/79/96/77/1129799677.db2.gz ZBBYVQRACAVLEA-UHFFFAOYSA-N -1 1 293.750 3.905 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)C1CCCCCCC1 ZINC000767930938 1129822207 /nfs/dbraw/zinc/82/22/07/1129822207.db2.gz MAVOKCPXDMPWSB-UHFFFAOYSA-N -1 1 279.355 3.716 20 0 CHADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000654308868 1129823601 /nfs/dbraw/zinc/82/36/01/1129823601.db2.gz HUOJEVXBYQBPDU-SKDRFNHKSA-N -1 1 295.329 3.847 20 0 CHADMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000654308864 1129823957 /nfs/dbraw/zinc/82/39/57/1129823957.db2.gz HUOJEVXBYQBPDU-CABZTGNLSA-N -1 1 295.329 3.847 20 0 CHADMM Cc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000768143734 1129833073 /nfs/dbraw/zinc/83/30/73/1129833073.db2.gz JRZVAEHFEIGGGB-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](F)c1ccccc1 ZINC000768985115 1129884822 /nfs/dbraw/zinc/88/48/22/1129884822.db2.gz QLFPNEWAEANZJU-ZDUSSCGKSA-N -1 1 279.698 3.695 20 0 CHADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900561584 1129887072 /nfs/dbraw/zinc/88/70/72/1129887072.db2.gz FIZUYGCLNZNKBU-TXEJJXNPSA-N -1 1 299.370 3.654 20 0 CHADMM C[C@@H](N(C)C(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000769667847 1129920977 /nfs/dbraw/zinc/92/09/77/1129920977.db2.gz UEZRLKJVSDEOJJ-SECBINFHSA-N -1 1 269.772 3.552 20 0 CHADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769918218 1129929742 /nfs/dbraw/zinc/92/97/42/1129929742.db2.gz OETFDGBVEMCNET-MNOVXSKESA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(-c3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018088 1129971668 /nfs/dbraw/zinc/97/16/68/1129971668.db2.gz TXFXLBCXWJASTK-CJNGLKHVSA-N -1 1 299.370 3.632 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(-c3ccccc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018089 1129971709 /nfs/dbraw/zinc/97/17/09/1129971709.db2.gz TXFXLBCXWJASTK-CZUORRHYSA-N -1 1 299.370 3.632 20 0 CHADMM Cc1ccc([C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000771223951 1129975168 /nfs/dbraw/zinc/97/51/68/1129975168.db2.gz NBAFLNKWWOCOHX-VIFPVBQESA-N -1 1 288.278 3.635 20 0 CHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC000902215380 1129989835 /nfs/dbraw/zinc/98/98/35/1129989835.db2.gz YEZXYWNTULGYPS-INIZCTEOSA-N -1 1 287.359 3.836 20 0 CHADMM Cc1cccc([C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000902272663 1129995555 /nfs/dbraw/zinc/99/55/55/1129995555.db2.gz WQMVUUMSUWXGRA-CFYYFVFUSA-N -1 1 299.370 3.845 20 0 CHADMM Cc1oc(CN[C@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000902329816 1130000968 /nfs/dbraw/zinc/00/09/68/1130000968.db2.gz NUNBARYTRHRUTH-SFHVURJKSA-N -1 1 299.370 3.701 20 0 CHADMM CC[C@@](C)(NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000902338159 1130001255 /nfs/dbraw/zinc/00/12/55/1130001255.db2.gz 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20 0 CHADMM CCOc1cc(C[N@@H+]2CC=C(C)CC2)cc(Cl)c1O ZINC000459349990 331277547 /nfs/dbraw/zinc/27/75/47/331277547.db2.gz RYEDVXMDWOCSQM-UHFFFAOYSA-N -1 1 281.783 3.596 20 0 CHADMM Cc1c(F)ccc(Cl)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000476490090 331665149 /nfs/dbraw/zinc/66/51/49/331665149.db2.gz NNZKWHPUTNHIIE-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM CCC[C@H](C(=O)Nc1ccc(F)cc1[O-])C(C)C ZINC000493946834 332458980 /nfs/dbraw/zinc/45/89/80/332458980.db2.gz MDUUSGFSRPQXDG-NSHDSACASA-N -1 1 253.317 3.542 20 0 CHADMM Cc1ccc2cccc(NC(=O)c3ccc([O-])cc3F)c2n1 ZINC000154857334 334705928 /nfs/dbraw/zinc/70/59/28/334705928.db2.gz TWQNOYADWYNDQH-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184678792 333131384 /nfs/dbraw/zinc/13/13/84/333131384.db2.gz SKDQFGOJFRBWIL-ZJUUUORDSA-N -1 1 267.756 3.810 20 0 CHADMM CCN(C(=O)c1cncc([O-])c1)c1cccc2ccccc21 ZINC000315747187 333383365 /nfs/dbraw/zinc/38/33/65/333383365.db2.gz WKWJQYSFNJAGJX-UHFFFAOYSA-N -1 1 292.338 3.607 20 0 CHADMM CCC[C@H](C(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000530007099 333517979 /nfs/dbraw/zinc/51/79/79/333517979.db2.gz WLIMJDGKBFLGMY-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM CC(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328502551 333533536 /nfs/dbraw/zinc/53/35/36/333533536.db2.gz YALGSLCVNFBWCX-UHFFFAOYSA-N -1 1 290.750 3.616 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccccc1C ZINC000132862500 334008125 /nfs/dbraw/zinc/00/81/25/334008125.db2.gz DCLPMIACDWFPSP-UHFFFAOYSA-N -1 1 273.307 3.506 20 0 CHADMM Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccc1F ZINC000132982548 334012315 /nfs/dbraw/zinc/01/23/15/334012315.db2.gz ZVJMSSIMXGPNHF-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CC(C)CCc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000553729583 334397194 /nfs/dbraw/zinc/39/71/94/334397194.db2.gz VIHMKOUYGMGOLO-UHFFFAOYSA-N -1 1 299.370 3.939 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)c(Cl)c1 ZINC000567600562 334738777 /nfs/dbraw/zinc/73/87/77/334738777.db2.gz HCZNXGALTGGWSU-OPRDCNLKSA-N -1 1 290.750 3.999 20 0 CHADMM C[C@@H]1CCCC[C@@H]1c1noc(-c2cc(F)ccc2[O-])n1 ZINC000384959447 336135037 /nfs/dbraw/zinc/13/50/37/336135037.db2.gz HDSNQPNDNFPPTP-KOLCDFICSA-N -1 1 276.311 3.875 20 0 CHADMM CCCC[C@H](C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000386337476 336171329 /nfs/dbraw/zinc/17/13/29/336171329.db2.gz LAQHKNLGJYMIJL-JTQLQIEISA-N -1 1 269.772 3.696 20 0 CHADMM CC(C)(C)c1ncc(C=C2SC(=S)[N-]C2=O)s1 ZINC000078007482 519107272 /nfs/dbraw/zinc/10/72/72/519107272.db2.gz JBWWKIQCEOILMC-DAXSKMNVSA-N -1 1 284.431 3.770 20 0 CHADMM CC1(C)CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000063072966 520333848 /nfs/dbraw/zinc/33/38/48/520333848.db2.gz WNDZWMREUFMPFX-UHFFFAOYSA-N -1 1 269.344 3.560 20 0 CHADMM CCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000080924133 521785976 /nfs/dbraw/zinc/78/59/76/521785976.db2.gz JLYHNCHXIQRQCB-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM COCCc1ccccc1NCc1cccc([O-])c1Cl ZINC000293289440 522024451 /nfs/dbraw/zinc/02/44/51/522024451.db2.gz ORISCQLEDXFTCG-UHFFFAOYSA-N -1 1 291.778 3.847 20 0 CHADMM Cc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000277098211 524808257 /nfs/dbraw/zinc/80/82/57/524808257.db2.gz YPDKUGBHWJDRNA-AWEZNQCLSA-N -1 1 293.363 3.501 20 0 CHADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc([O-])c1Cl ZINC000293119838 525070815 /nfs/dbraw/zinc/07/08/15/525070815.db2.gz ZCGXJPYFPFGAQJ-QLJPJBMISA-N -1 1 289.762 3.657 20 0 CHADMM C[C@H](C1CC1)n1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000339359463 526209249 /nfs/dbraw/zinc/20/92/49/526209249.db2.gz LNLZYFMZPLJKHU-SNVBAGLBSA-N -1 1 291.782 3.825 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1F ZINC000223570125 598180898 /nfs/dbraw/zinc/18/08/98/598180898.db2.gz HRAHJUYNCMZCCS-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM C[C@@H](c1ccccc1)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000736726054 599849587 /nfs/dbraw/zinc/84/95/87/599849587.db2.gz XIDJWDSFRCBMSJ-LBPRGKRZSA-N -1 1 285.343 3.703 20 0 CHADMM CN(Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])cc1 ZINC000037918875 599966886 /nfs/dbraw/zinc/96/68/86/599966886.db2.gz APULPBSSSSYDLE-UHFFFAOYSA-N -1 1 295.791 3.732 20 0 CHADMM Cc1ccc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738582640 600968875 /nfs/dbraw/zinc/96/88/75/600968875.db2.gz MAYONAZMXAPTTI-CYBMUJFWSA-N -1 1 289.331 3.606 20 0 CHADMM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828457076 601178887 /nfs/dbraw/zinc/17/88/87/601178887.db2.gz QQBCEMHPPFQYOR-PXAZEXFGSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@@H]1c2ccsc2CCN1Cc1ccsc1C(=O)[O-] ZINC000110956437 601805306 /nfs/dbraw/zinc/80/53/06/601805306.db2.gz IKXVDLNNZOOBSE-SECBINFHSA-N -1 1 293.413 3.627 20 0 CHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C2CC2)s1 ZINC000103926806 601940281 /nfs/dbraw/zinc/94/02/81/601940281.db2.gz BRFSJGDAWZWVTN-UHFFFAOYSA-N -1 1 293.413 3.672 20 0 CHADMM C[C@H](c1ccc(F)cc1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833547212 604847398 /nfs/dbraw/zinc/84/73/98/604847398.db2.gz BHZXHJMNNMCWQJ-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548573 605104210 /nfs/dbraw/zinc/10/42/10/605104210.db2.gz PFXCBDAKKPCPAT-SNVBAGLBSA-N -1 1 292.766 3.559 20 0 CHADMM CC[C@H](Sc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000825160304 607901474 /nfs/dbraw/zinc/90/14/74/607901474.db2.gz ZEHALYPCGHNUKD-ZDUSSCGKSA-N -1 1 297.387 3.505 20 0 CHADMM CC[C@H](Sc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000825160304 607901475 /nfs/dbraw/zinc/90/14/75/607901475.db2.gz ZEHALYPCGHNUKD-ZDUSSCGKSA-N -1 1 297.387 3.505 20 0 CHADMM CCCC[C@@H](CCC)NC(=O)c1c(F)ccc([O-])c1F ZINC000450105447 728641366 /nfs/dbraw/zinc/64/13/66/728641366.db2.gz OVASSQJRMCVJBU-SNVBAGLBSA-N -1 1 285.334 3.759 20 0 CHADMM O=C([O-])[C@@H]1CN([C@@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082083 950807468 /nfs/dbraw/zinc/80/74/68/950807468.db2.gz XRBUQXMRJHPLAW-NVXWUHKLSA-N -1 1 285.387 3.559 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccsc1 ZINC000381761709 971776534 /nfs/dbraw/zinc/77/65/34/971776534.db2.gz XEJOJLJFWRURNG-VIFPVBQESA-N -1 1 295.791 3.951 20 0 CHADMM CC[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000557144963 953586150 /nfs/dbraw/zinc/58/61/50/953586150.db2.gz YMTVROYTXAXGOY-CYBMUJFWSA-N -1 1 293.750 3.553 20 0 CHADMM Cc1cc(CN(Cc2cccs2)C(C)C)oc1C(=O)[O-] ZINC000049029906 957472398 /nfs/dbraw/zinc/47/23/98/957472398.db2.gz WDVHYRWHKZMFLV-UHFFFAOYSA-N -1 1 293.388 3.758 20 0 CHADMM Cc1oc(CN(C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000049727612 957480929 /nfs/dbraw/zinc/48/09/29/957480929.db2.gz BTXRQAOGUJEZFC-SECBINFHSA-N -1 1 279.361 3.541 20 0 CHADMM CCCCCC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267921 1125467044 /nfs/dbraw/zinc/46/70/44/1125467044.db2.gz ZZZZNYPDJSUKSJ-NSHDSACASA-N -1 1 267.344 3.620 20 0 CHADMM CSc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000071380955 957721350 /nfs/dbraw/zinc/72/13/50/957721350.db2.gz ANUZWWSUZWZUFG-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC000211415635 959685413 /nfs/dbraw/zinc/68/54/13/959685413.db2.gz IXURNVGDDOLQKX-OAHLLOKOSA-N -1 1 289.762 3.564 20 0 CHADMM CC(C)C[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228162010 959996757 /nfs/dbraw/zinc/99/67/57/959996757.db2.gz GKMXRWDIJILSDA-INIZCTEOSA-N -1 1 287.359 3.855 20 0 CHADMM CCC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228162777 959997012 /nfs/dbraw/zinc/99/70/12/959997012.db2.gz PMOKQZGASHDFOD-OAHLLOKOSA-N -1 1 273.332 3.609 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000235518084 960448072 /nfs/dbraw/zinc/44/80/72/960448072.db2.gz LHJNDESHQPWQAF-NSHDSACASA-N -1 1 289.762 3.889 20 0 CHADMM Cc1cc(CN(C)Cc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000565902411 974590587 /nfs/dbraw/zinc/59/05/87/974590587.db2.gz SKPJCDPCMJOPNS-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM Cc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000573733745 974770615 /nfs/dbraw/zinc/77/06/15/974770615.db2.gz KBNOSBNTSJRXLM-NSHDSACASA-N -1 1 291.322 3.618 20 0 CHADMM CCc1cccc2cc(CN[C@@H](CC(C)C)C(=O)[O-])oc21 ZINC000656565756 975664068 /nfs/dbraw/zinc/66/40/68/975664068.db2.gz SUDSVGDFYLCVLB-HNNXBMFYSA-N -1 1 289.375 3.584 20 0 CHADMM CCc1nc(SCc2ccccc2C)[n-]c(=O)c1C ZINC000568273193 1118453111 /nfs/dbraw/zinc/45/31/11/1118453111.db2.gz MJWZHJLUUQJQAA-UHFFFAOYSA-N -1 1 274.389 3.654 20 0 CHADMM Cc1c(F)c(F)ccc1-c1cc(F)c([O-])cc1F ZINC001211349408 1118506299 /nfs/dbraw/zinc/50/62/99/1118506299.db2.gz FPUWNEMDSSWTKB-UHFFFAOYSA-N -1 1 256.198 3.924 20 0 CHADMM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)s1 ZINC001595305535 980448269 /nfs/dbraw/zinc/44/82/69/980448269.db2.gz RAPCEADSQZNYPI-VIFPVBQESA-N -1 1 299.779 3.934 20 0 CHADMM CCc1oc(CN(CC)Cc2cccs2)cc1C(=O)[O-] ZINC000902074252 980721837 /nfs/dbraw/zinc/72/18/37/980721837.db2.gz VXSHDAALESZFFG-UHFFFAOYSA-N -1 1 293.388 3.624 20 0 CHADMM CSc1ccccc1[C@H](C)NCc1ccoc1C(=O)[O-] ZINC000902380806 980863754 /nfs/dbraw/zinc/86/37/54/980863754.db2.gz LGPGFUHHFZBOIB-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM CCC[C@@](C)(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000905790268 981151607 /nfs/dbraw/zinc/15/16/07/981151607.db2.gz PUKXSVJLKNFDJJ-QGZVFWFLSA-N -1 1 287.359 3.783 20 0 CHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1F ZINC001599901211 984832207 /nfs/dbraw/zinc/83/22/07/984832207.db2.gz ZKTPSMLCERWGJJ-ISVAXAHUSA-N -1 1 297.326 3.503 20 0 CHADMM CC(C)(C)n1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001212571252 1121608793 /nfs/dbraw/zinc/60/87/93/1121608793.db2.gz GKDRNFMKCSZTSV-UHFFFAOYSA-N -1 1 283.734 3.880 20 0 CHADMM CCCC[C@H](CC)COC(=O)Nc1ncccc1[O-] ZINC001193945460 1122735994 /nfs/dbraw/zinc/73/59/94/1122735994.db2.gz UMZSIPMESNBASB-NSHDSACASA-N -1 1 266.341 3.552 20 0 CHADMM CC(C)=Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450906 1124082775 /nfs/dbraw/zinc/08/27/75/1124082775.db2.gz YEVFYCAOPHQFHA-UHFFFAOYSA-N -1 1 250.685 3.519 20 0 CHADMM Cc1cncc(Nc2cc([O-])c(Cl)cc2F)c1C ZINC001213530801 1134461046 /nfs/dbraw/zinc/46/10/46/1134461046.db2.gz LZOBLIAZHRJSRV-UHFFFAOYSA-N -1 1 266.703 3.940 20 0 CHADMM Cc1cc(Cl)c(N)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001216091973 1134774930 /nfs/dbraw/zinc/77/49/30/1134774930.db2.gz LWMQQZJYSQGSJJ-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(Cl)ccc2O)cc1F ZINC001216400967 1134883834 /nfs/dbraw/zinc/88/38/34/1134883834.db2.gz IRKAWROAYLHRSY-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cccs1 ZINC001225616057 1135596260 /nfs/dbraw/zinc/59/62/60/1135596260.db2.gz FJMONKTXMQHGBC-SNVBAGLBSA-N -1 1 262.330 3.796 20 0 CHADMM C[C@@H]1COCC[C@H]1Oc1cc(Cl)c([O-])cc1Cl ZINC001227645557 1135852521 /nfs/dbraw/zinc/85/25/21/1135852521.db2.gz JRGUTQDQUHVURT-RDDDGLTNSA-N -1 1 277.147 3.503 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1C ZINC001202703885 1125519608 /nfs/dbraw/zinc/51/96/08/1125519608.db2.gz GHHRCTFDGNVXEZ-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C(F)F)CCC1 ZINC000885680097 1125620827 /nfs/dbraw/zinc/62/08/27/1125620827.db2.gz LNRLFLPYNVKPLK-UHFFFAOYSA-N -1 1 293.672 3.559 20 0 CHADMM CCC1CCC(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000110325353 1125629673 /nfs/dbraw/zinc/62/96/73/1125629673.db2.gz RKVZIQLFCQOCLK-UHFFFAOYSA-N -1 1 295.810 3.992 20 0 CHADMM CC(C)C[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769742852 1129923996 /nfs/dbraw/zinc/92/39/96/1129923996.db2.gz IQZRCFZQWWJQSR-LLVKDONJSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H]2CCCC[C@H]12 ZINC001136200510 1131238037 /nfs/dbraw/zinc/23/80/37/1131238037.db2.gz ZZMWGEHZUCHPFQ-KFNAQCHYSA-N -1 1 291.366 3.572 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cccc(F)c2[O-])c1 ZINC001202767693 1126772132 /nfs/dbraw/zinc/77/21/32/1126772132.db2.gz GYVYAUCGXPJVBT-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM CC/C(C)=C(\C)C(=O)Nc1cccc([O-])c1Br ZINC000908709418 1127012845 /nfs/dbraw/zinc/01/28/45/1127012845.db2.gz JSKIVFKFOZEPOS-CMDGGOBGSA-N -1 1 298.180 3.840 20 0 CHADMM O=C(/C=C\C1CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909981274 1127043014 /nfs/dbraw/zinc/04/30/14/1127043014.db2.gz OAQKNQBAYGBOER-SREVYHEPSA-N -1 1 281.302 3.745 20 0 CHADMM CC[C@H](CC(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988078 1127043574 /nfs/dbraw/zinc/04/35/74/1127043574.db2.gz UKCRNKAUNSBDTC-SECBINFHSA-N -1 1 271.307 3.681 20 0 CHADMM CC[C@@H](CC(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988079 1127043803 /nfs/dbraw/zinc/04/38/03/1127043803.db2.gz UKCRNKAUNSBDTC-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM CCCC(CCC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985042 1127041617 /nfs/dbraw/zinc/04/16/17/1127041617.db2.gz WLAMNJZZIWNILS-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C2CCCCC2)CC1 ZINC000909970961 1127042116 /nfs/dbraw/zinc/04/21/16/1127042116.db2.gz BVHOSRIXHBEJCF-UHFFFAOYSA-N -1 1 295.329 3.969 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(F)cn1 ZINC000362184591 1127618122 /nfs/dbraw/zinc/61/81/22/1127618122.db2.gz SEGIDHZXFQORFJ-UHFFFAOYSA-N -1 1 294.326 3.724 20 0 CHADMM Cc1[nH]c2ccc(C(=O)Nc3c([O-])cccc3F)cc2c1C ZINC000605436932 1127736443 /nfs/dbraw/zinc/73/64/43/1127736443.db2.gz NORZTKRIBVAFPN-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccsc1 ZINC000608342432 1127860468 /nfs/dbraw/zinc/86/04/68/1127860468.db2.gz GYJILUTZEQOOIT-UHFFFAOYSA-N -1 1 295.429 3.674 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)c1nccs1 ZINC001233649623 1128007277 /nfs/dbraw/zinc/00/72/77/1128007277.db2.gz BAWKWQAMHYNEMR-JTQLQIEISA-N -1 1 291.372 3.972 20 0 CHADMM Cc1nc(SCc2ccc(CF)cc2)[n-]c(=O)c1C ZINC000777538089 1128116193 /nfs/dbraw/zinc/11/61/93/1128116193.db2.gz DFPHHKOBPKYBES-UHFFFAOYSA-N -1 1 278.352 3.561 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc(F)cc(F)c1[O-] ZINC000168797771 1128173656 /nfs/dbraw/zinc/17/36/56/1128173656.db2.gz WNTANSOXQJIIIW-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000670083923 1128187798 /nfs/dbraw/zinc/18/77/98/1128187798.db2.gz JSFWMOIDUFBKTK-UONOGXRCSA-N -1 1 299.345 3.836 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000928780255 1128248644 /nfs/dbraw/zinc/24/86/44/1128248644.db2.gz KIKFALMOVXSQQC-UHFFFAOYSA-N -1 1 291.351 3.644 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1sccc1F 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CC[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000085069733 1121175212 /nfs/dbraw/zinc/17/52/12/1121175212.db2.gz OIRXPYFIJLCRJI-PWSUYJOCSA-N -1 1 281.783 3.744 20 0 CHADMM CCOc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001175093585 1121182916 /nfs/dbraw/zinc/18/29/16/1121182916.db2.gz WAJVNNAJGDMCEL-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM CCOc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001175093793 1121183236 /nfs/dbraw/zinc/18/32/36/1121183236.db2.gz HTRCGEYHBOQPES-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM CCC(CC)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC001307352414 1121188662 /nfs/dbraw/zinc/18/86/62/1121188662.db2.gz KEPREQXHJGUSGX-UHFFFAOYSA-N -1 1 262.325 3.648 20 0 CHADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000773463689 1121194412 /nfs/dbraw/zinc/19/44/12/1121194412.db2.gz DXWJITCVBOYMGN-QLFBSQMISA-N -1 1 273.376 3.703 20 0 CHADMM CC(C)(C)c1nnc([N-]c2ccc(Cl)c(F)c2)o1 ZINC001175204188 1121206847 /nfs/dbraw/zinc/20/68/47/1121206847.db2.gz CKOVHCLPLYCLKF-UHFFFAOYSA-N -1 1 269.707 3.903 20 0 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/nfs/dbraw/zinc/50/27/18/1122502718.db2.gz GWCVSRNTIWCBAR-UHFFFAOYSA-N -1 1 268.426 3.971 20 0 CHADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436511040 1122557421 /nfs/dbraw/zinc/55/74/21/1122557421.db2.gz HXFKLRNCZSATHT-GHMZBOCLSA-N -1 1 281.783 3.554 20 0 CHADMM CCC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000436526115 1122558698 /nfs/dbraw/zinc/55/86/98/1122558698.db2.gz IJGJKVFKFVRACC-UHFFFAOYSA-N -1 1 279.355 3.622 20 0 CHADMM CC(C)C[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436576233 1122560312 /nfs/dbraw/zinc/56/03/12/1122560312.db2.gz OSLMGQVKMKUJLT-ZDUSSCGKSA-N -1 1 279.355 3.572 20 0 CHADMM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436565430 1122562397 /nfs/dbraw/zinc/56/23/97/1122562397.db2.gz JNDBWLTWWSQOHB-WDEREUQCSA-N -1 1 279.355 3.571 20 0 CHADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000436609951 1122565124 /nfs/dbraw/zinc/56/51/24/1122565124.db2.gz WSQQWLMWTGDTKC-UHFFFAOYSA-N -1 1 287.746 3.510 20 0 CHADMM CCCC1CCC(N(C)C(=O)c2ccc([O-])cc2F)CC1 ZINC000436612707 1122565739 /nfs/dbraw/zinc/56/57/39/1122565739.db2.gz YPJVFKHYROTVBH-UHFFFAOYSA-N -1 1 293.382 3.962 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2C[C@H]2c2ccccc2)no1 ZINC000436621280 1122567958 /nfs/dbraw/zinc/56/79/58/1122567958.db2.gz XRNYTCDRRSXFDB-QWHCGFSZSA-N -1 1 296.301 3.852 20 0 CHADMM CC(C)c1ccoc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436775099 1122580971 /nfs/dbraw/zinc/58/09/71/1122580971.db2.gz OSTMPAUPPOPGCX-UHFFFAOYSA-N -1 1 288.278 3.965 20 0 CHADMM CCC(CC)c1cc(C(=O)Nc2ccc(F)cc2[O-])on1 ZINC000436805211 1122584347 /nfs/dbraw/zinc/58/43/47/1122584347.db2.gz DCOGJBNWDLRDJE-UHFFFAOYSA-N -1 1 292.310 3.675 20 0 CHADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000436804490 1122584609 /nfs/dbraw/zinc/58/46/09/1122584609.db2.gz BHWGWDBCXDWZBN-RAXLEYEMSA-N -1 1 299.345 3.707 20 0 CHADMM CCc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)c([O-])c1 ZINC000436822816 1122586923 /nfs/dbraw/zinc/58/69/23/1122586923.db2.gz QUHBLTGQNAXZPS-CYBMUJFWSA-N -1 1 295.382 3.794 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000436856690 1122588053 /nfs/dbraw/zinc/58/80/53/1122588053.db2.gz YXQXSRAAOCHJSW-AWEZNQCLSA-N -1 1 299.345 3.551 20 0 CHADMM CCc1occc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436869395 1122589169 /nfs/dbraw/zinc/58/91/69/1122589169.db2.gz DBLWVIIAKDJBPO-UHFFFAOYSA-N -1 1 290.706 3.918 20 0 CHADMM CCCc1occc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877076 1122589721 /nfs/dbraw/zinc/58/97/21/1122589721.db2.gz DCVWDRAXDQQENG-UHFFFAOYSA-N -1 1 288.278 3.794 20 0 CHADMM C[C@H]1CCC[C@H]1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436873166 1122589783 /nfs/dbraw/zinc/58/97/83/1122589783.db2.gz MATBYUUXNMENDL-UWVGGRQHSA-N -1 1 276.311 3.560 20 0 CHADMM CC(C)[C@@]1(C)C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877511 1122591018 /nfs/dbraw/zinc/59/10/18/1122591018.db2.gz GYNIGAYHHRAZAB-MEBBXXQBSA-N -1 1 276.311 3.731 20 0 CHADMM C[C@@H](c1noc(-c2cc(F)ccc2[O-])n1)C(C)(C)C ZINC000436935046 1122597008 /nfs/dbraw/zinc/59/70/08/1122597008.db2.gz ZJSRXKLTPSQDIL-QMMMGPOBSA-N -1 1 264.300 3.731 20 0 CHADMM CC(C)C1CCC(N(C)C(=O)c2ccc([O-])cc2F)CC1 ZINC000436948625 1122598146 /nfs/dbraw/zinc/59/81/46/1122598146.db2.gz KAFIIVDFSRTYBT-UHFFFAOYSA-N -1 1 293.382 3.818 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cccc(F)c1[O-] ZINC001191411275 1122598760 /nfs/dbraw/zinc/59/87/60/1122598760.db2.gz JKWCGSOSVDJRAQ-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436956436 1122598914 /nfs/dbraw/zinc/59/89/14/1122598914.db2.gz RBWSIRWMGFXYIF-ZDUSSCGKSA-N -1 1 295.382 3.950 20 0 CHADMM CCCCCCNC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001191980700 1122626860 /nfs/dbraw/zinc/62/68/60/1122626860.db2.gz WUXCAXPZNUSILQ-UHFFFAOYSA-N -1 1 288.750 3.887 20 0 CHADMM Cc1c[nH]c(C)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193357740 1122685774 /nfs/dbraw/zinc/68/57/74/1122685774.db2.gz KPXDUBFLKVFZCN-UHFFFAOYSA-N -1 1 298.264 3.608 20 0 CHADMM CCCCOC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193707363 1122713915 /nfs/dbraw/zinc/71/39/15/1122713915.db2.gz QOIZLRRHKWOSSQ-UHFFFAOYSA-N -1 1 277.242 3.760 20 0 CHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000438799329 1122724401 /nfs/dbraw/zinc/72/44/01/1122724401.db2.gz HRJQEEIDQPQOOP-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000153631545 1129073870 /nfs/dbraw/zinc/07/38/70/1129073870.db2.gz MVLFEWIXXUNIFL-UHFFFAOYSA-N -1 1 294.738 3.583 20 0 CHADMM CO[C@H](C)c1nc(=NCC(C)(C)C2CCCCC2)s[n-]1 ZINC000509582522 1122735934 /nfs/dbraw/zinc/73/59/34/1122735934.db2.gz IBYADPYNIMMSIT-LLVKDONJSA-N -1 1 297.468 3.686 20 0 CHADMM CCCCOC(=O)Nc1ccc([O-])c(Br)c1 ZINC000142899591 1122742503 /nfs/dbraw/zinc/74/25/03/1122742503.db2.gz BQLLIAUBYODMDO-UHFFFAOYSA-N -1 1 288.141 3.503 20 0 CHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194602955 1122785052 /nfs/dbraw/zinc/78/50/52/1122785052.db2.gz KQEDWFTXSUZOGU-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CC[C@@H](C)OC(=O)Nc1ccc(Br)cc1[O-] ZINC001195118698 1122844726 /nfs/dbraw/zinc/84/47/26/1122844726.db2.gz UIECPCRDEWCRLG-SSDOTTSWSA-N -1 1 288.141 3.502 20 0 CHADMM Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000048743217 1122863674 /nfs/dbraw/zinc/86/36/74/1122863674.db2.gz WWWSJKLGQWYSMM-VIFPVBQESA-N -1 1 295.791 3.907 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2C)o1 ZINC000426799475 1122916865 /nfs/dbraw/zinc/91/68/65/1122916865.db2.gz KZSADGSUNNABTK-OAHLLOKOSA-N -1 1 287.359 3.510 20 0 CHADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1ccc(F)cc1 ZINC001196941201 1122939650 /nfs/dbraw/zinc/93/96/50/1122939650.db2.gz JQWLSAFHFLWVTO-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM [O-]c1ccc(NC(=S)Nc2cccc(F)c2)c(F)c1F ZINC001197638764 1122965714 /nfs/dbraw/zinc/96/57/14/1122965714.db2.gz VCDWHGKHVMFJJA-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc([O-])c(F)cc1F ZINC001198427887 1122991780 /nfs/dbraw/zinc/99/17/80/1122991780.db2.gz UAWSOCBLSJFGOR-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cc(NC(=S)Nc2cccc(F)c2[O-])ccc1F ZINC001201038685 1123071721 /nfs/dbraw/zinc/07/17/21/1123071721.db2.gz ZYRXWEIPGOCUPF-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Nc1ccc(F)cc1F ZINC001202023253 1123166338 /nfs/dbraw/zinc/16/63/38/1123166338.db2.gz QKBBFZLQKINZFZ-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)Nc1c(F)cccc1F ZINC001202043057 1123173616 /nfs/dbraw/zinc/17/36/16/1123173616.db2.gz ITLQXYCVDLGTGG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCOc1ccccc1NC(=O)Nc1cccc(F)c1[O-] ZINC001202147705 1123178136 /nfs/dbraw/zinc/17/81/36/1123178136.db2.gz HRXATEZXQQCCLX-UHFFFAOYSA-N -1 1 290.294 3.574 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001202185391 1123182998 /nfs/dbraw/zinc/18/29/98/1123182998.db2.gz VWBVICDRHNFSOF-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1cccc(NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001202317662 1123198999 /nfs/dbraw/zinc/19/89/99/1123198999.db2.gz NRRBJGFPFBLNSB-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC001202354770 1123201123 /nfs/dbraw/zinc/20/11/23/1123201123.db2.gz GABXRYNTLSSLAE-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001202432104 1123210535 /nfs/dbraw/zinc/21/05/35/1123210535.db2.gz UYQLEXISSMIZQV-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CC(C)(C)C(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335219870 1123323640 /nfs/dbraw/zinc/32/36/40/1123323640.db2.gz SXJXMSPRRNKTBQ-UHFFFAOYSA-N -1 1 271.307 3.681 20 0 CHADMM COc1cc(-c2nc(C3CCCC3)no2)cc(Cl)c1[O-] ZINC000443082159 1123356080 /nfs/dbraw/zinc/35/60/80/1123356080.db2.gz AGVGSFYOGRROOM-UHFFFAOYSA-N -1 1 294.738 3.762 20 0 CHADMM CCC[C@@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674163 1123477735 /nfs/dbraw/zinc/47/77/35/1123477735.db2.gz JBVVYASSGNBTIA-MRVPVSSYSA-N -1 1 273.735 3.950 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCC(F)(F)C1 ZINC000885678766 1123484341 /nfs/dbraw/zinc/48/43/41/1123484341.db2.gz VPSDCNRGSRWRAC-LURJTMIESA-N -1 1 293.672 3.559 20 0 CHADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C(C)(C)C1 ZINC000896809083 1123629223 /nfs/dbraw/zinc/62/92/23/1123629223.db2.gz DHCHLQCKIOETCB-LLVKDONJSA-N -1 1 299.370 3.512 20 0 CHADMM CCC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389262 1123650293 /nfs/dbraw/zinc/65/02/93/1123650293.db2.gz DOSIJJCRWNMRKB-ZJUUUORDSA-N -1 1 269.776 3.606 20 0 CHADMM CCCC[C@@H](CCC)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858441910 1123654634 /nfs/dbraw/zinc/65/46/34/1123654634.db2.gz XDWIFPLRMKYDKD-SNVBAGLBSA-N -1 1 271.792 3.854 20 0 CHADMM CCCC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858442369 1123654833 /nfs/dbraw/zinc/65/48/33/1123654833.db2.gz GUFZTMQHNXLGQB-JTQLQIEISA-N -1 1 269.776 3.606 20 0 CHADMM CC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCCC1 ZINC000858469732 1123656834 /nfs/dbraw/zinc/65/68/34/1123656834.db2.gz YXZWVYIRWMESSD-UHFFFAOYSA-N -1 1 269.776 3.608 20 0 CHADMM O=C1Nc2ccccc2/C1=C\c1ccc([O-])c(Cl)c1 ZINC000194854597 1129139789 /nfs/dbraw/zinc/13/97/89/1129139789.db2.gz JEBAVFLNWSKZNE-YRNVUSSQSA-N -1 1 271.703 3.538 20 0 CHADMM C[C@@H](N(C)C(=O)c1ccc2ccc(O)cc2c1[O-])C1(C)CC1 ZINC000896895377 1123721386 /nfs/dbraw/zinc/72/13/86/1123721386.db2.gz QXEFXDMFZUUWJC-LLVKDONJSA-N -1 1 299.370 3.512 20 0 CHADMM CC(C)n1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000315250975 1129143749 /nfs/dbraw/zinc/14/37/49/1129143749.db2.gz WGAYTNLPUUARKO-UHFFFAOYSA-N -1 1 295.342 3.575 20 0 CHADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCC1 ZINC000896959683 1123791662 /nfs/dbraw/zinc/79/16/62/1123791662.db2.gz OLURBCLYXAAKLD-UHFFFAOYSA-N -1 1 299.370 3.656 20 0 CHADMM COc1c(Nc2cc(F)c([O-])cc2F)ccc(F)c1F ZINC001211898596 1123989062 /nfs/dbraw/zinc/98/90/62/1123989062.db2.gz KBRXKPKPRSLFGD-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCC[C@H](C(=O)[N-]OC[C@H](C)CC)c1ccccc1 ZINC000794872862 1124023115 /nfs/dbraw/zinc/02/31/15/1124023115.db2.gz XQBBDRPGOCBLTF-HIFRSBDPSA-N -1 1 263.381 3.664 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3F)n2)c(F)c1 ZINC000445453578 1124084560 /nfs/dbraw/zinc/08/45/60/1124084560.db2.gz BTEXJGJFKBBQCD-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM Cc1scc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C ZINC000445478310 1124086918 /nfs/dbraw/zinc/08/69/18/1124086918.db2.gz GMRCMPKZVWRBRH-UHFFFAOYSA-N -1 1 290.319 3.927 20 0 CHADMM CC(C)CCc1cc(=O)n(-c2ccnc3ccccc32)[n-]1 ZINC000871950197 1124654555 /nfs/dbraw/zinc/65/45/55/1124654555.db2.gz BEPTYEWDQKZYHJ-UHFFFAOYSA-N -1 1 281.359 3.764 20 0 CHADMM CCCc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CC ZINC000871964504 1124655685 /nfs/dbraw/zinc/65/56/85/1124655685.db2.gz RDXVSUHSOPLNED-ZIAGYGMSSA-N -1 1 292.423 3.503 20 0 CHADMM COc1cnc(C=Cc2csc3ccccc23)[n-]c1=O ZINC000821008085 1131318295 /nfs/dbraw/zinc/31/82/95/1131318295.db2.gz NERJOKXUNXQPOR-VOTSOKGWSA-N -1 1 284.340 3.576 20 0 CHADMM CCO[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538577 1124991810 /nfs/dbraw/zinc/99/18/10/1124991810.db2.gz FUQGZTRNAKEDOW-SECBINFHSA-N -1 1 293.750 3.562 20 0 CHADMM CC(=O)c1[n-]c(=N[C@H]2CCCc3sccc32)sc1C ZINC000450447757 1125028598 /nfs/dbraw/zinc/02/85/98/1125028598.db2.gz XQVVXRJWWUNHQN-NSHDSACASA-N -1 1 292.429 3.627 20 0 CHADMM Cc1cccc(C2(C(=O)Nc3cccc(F)c3[O-])CCC2)c1 ZINC000530005256 1125113731 /nfs/dbraw/zinc/11/37/31/1125113731.db2.gz HRZPKHUVRJNMHU-UHFFFAOYSA-N -1 1 299.345 3.900 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc(F)ccc2o1 ZINC000532267125 1125245653 /nfs/dbraw/zinc/24/56/53/1125245653.db2.gz DMVMKTSSPKFFLW-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM CSCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000610339870 1125312890 /nfs/dbraw/zinc/31/28/90/1125312890.db2.gz YBUCCWANRNXGIQ-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM C[C@H]1CCCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897427254 1125344195 /nfs/dbraw/zinc/34/41/95/1125344195.db2.gz XHNBTTNGJICCEV-LBPRGKRZSA-N -1 1 299.370 3.513 20 0 CHADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])CC(F)F ZINC000648470090 1125347678 /nfs/dbraw/zinc/34/76/78/1125347678.db2.gz HARJCLKGPVBRME-SNVBAGLBSA-N -1 1 293.313 3.567 20 0 CHADMM Cc1c(Cl)cc(Nc2cccc(=O)[nH]2)c([O-])c1Cl ZINC001212792554 1125375673 /nfs/dbraw/zinc/37/56/73/1125375673.db2.gz YRQJBEFIFLEGGD-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM C[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136511400 1131353281 /nfs/dbraw/zinc/35/32/81/1131353281.db2.gz DGHOMDMMWUDVAR-AAEUAGOBSA-N -1 1 295.810 3.531 20 0 CHADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000532620830 1125428716 /nfs/dbraw/zinc/42/87/16/1125428716.db2.gz RPJWIWOUJADBDW-VIFPVBQESA-N -1 1 293.725 3.927 20 0 CHADMM CCCC[C@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135598 1125431529 /nfs/dbraw/zinc/43/15/29/1125431529.db2.gz NXASQXFLNHKHDD-LBPRGKRZSA-N -1 1 276.332 3.846 20 0 CHADMM COc1cc(-c2nnc(CCC(C)C)o2)cc(Cl)c1[O-] ZINC001258357372 1129260894 /nfs/dbraw/zinc/26/08/94/1129260894.db2.gz UFZOFWZMBSAWMK-UHFFFAOYSA-N -1 1 296.754 3.693 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N(C1CC1)C1CCCCC1 ZINC000642061789 1129403549 /nfs/dbraw/zinc/40/35/49/1129403549.db2.gz SNZMDRLZWLZZFO-UHFFFAOYSA-N -1 1 293.794 3.983 20 0 CHADMM COC(=O)c1cc(C)c(-c2c(F)cc([O-])cc2F)cc1C ZINC001241125043 1129461363 /nfs/dbraw/zinc/46/13/63/1129461363.db2.gz QNUFLTRTOVTESB-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM Cc1cc2cc[nH]c2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291140 1129507817 /nfs/dbraw/zinc/50/78/17/1129507817.db2.gz GBLMBQHCKXXYPE-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM CC(F)(F)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000645926924 1129513516 /nfs/dbraw/zinc/51/35/16/1129513516.db2.gz RVSJDSRGPRWYMW-UHFFFAOYSA-N -1 1 295.260 3.895 20 0 CHADMM C/C(=C/C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000743416943 1129523469 /nfs/dbraw/zinc/52/34/69/1129523469.db2.gz UJOIDCVIPDDGSB-KHPPLWFESA-N -1 1 271.291 3.573 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c([O-])cccc1Cl ZINC000743712153 1129534888 /nfs/dbraw/zinc/53/48/88/1129534888.db2.gz LKJCEGJKEMZHBH-IJLUTSLNSA-N -1 1 293.794 3.744 20 0 CHADMM CC1(C)Cc2ccccc2N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000646756181 1129542999 /nfs/dbraw/zinc/54/29/99/1129542999.db2.gz FFAXTDUZKWFSKL-UHFFFAOYSA-N -1 1 299.345 3.760 20 0 CHADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940626 1129630017 /nfs/dbraw/zinc/63/00/17/1129630017.db2.gz SWXNSBRUDBYHLL-MNOVXSKESA-N -1 1 265.328 3.686 20 0 CHADMM [O-]c1ccc(-c2nc3ccccc3[nH]2)cc1Br ZINC000041004998 1129634406 /nfs/dbraw/zinc/63/44/06/1129634406.db2.gz YHCQKLPXLJWCLZ-UHFFFAOYSA-N -1 1 289.132 3.698 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N1CCCCc2ccccc21 ZINC001136604547 1131388832 /nfs/dbraw/zinc/38/88/32/1131388832.db2.gz ITECTHYEJDKIIM-UHFFFAOYSA-N -1 1 285.318 3.514 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000650419585 1129708898 /nfs/dbraw/zinc/70/88/98/1129708898.db2.gz FJGDGZNEOZFPMR-LLVKDONJSA-N -1 1 299.345 3.900 20 0 CHADMM CCCCCCC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000767088384 1129776905 /nfs/dbraw/zinc/77/69/05/1129776905.db2.gz MKIFJOJXNUKWIM-UHFFFAOYSA-N -1 1 294.420 3.691 20 0 CHADMM CCCCCC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000767291458 1129784933 /nfs/dbraw/zinc/78/49/33/1129784933.db2.gz DJULJTTYAYZCMN-NSHDSACASA-N -1 1 267.344 3.620 20 0 CHADMM [O-]c1c(F)cccc1-c1cnc(-c2ccccc2)nc1 ZINC001242351688 1129791873 /nfs/dbraw/zinc/79/18/73/1129791873.db2.gz OXTKCBROIGVNGA-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM C[C@H](c1ccccc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769632814 1129918679 /nfs/dbraw/zinc/91/86/79/1129918679.db2.gz CDLFEVZLHOFITH-LLVKDONJSA-N -1 1 289.762 3.879 20 0 CHADMM C[C@H]1CCC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000769674431 1129920927 /nfs/dbraw/zinc/92/09/27/1129920927.db2.gz NWHFCTGBQJMZOU-QWRGUYRKSA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)COCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616853 1129939625 /nfs/dbraw/zinc/93/96/25/1129939625.db2.gz RMYOZLVIPZVGJE-UHFFFAOYSA-N -1 1 290.388 3.571 20 0 CHADMM Cc1cc(CNCc2ccc(C)c(Cl)c2)oc1C(=O)[O-] ZINC000901942995 1129967122 /nfs/dbraw/zinc/96/71/22/1129967122.db2.gz RSPLEERHWIZOPS-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM Cc1cc(C)c(/C=C\CNCc2cc(C(=O)[O-])co2)c(C)c1 ZINC000901952011 1129967801 /nfs/dbraw/zinc/96/78/01/1129967801.db2.gz IAFHRFRYUPWXBY-PLNGDYQASA-N -1 1 299.370 3.706 20 0 CHADMM Cc1oc(CN[C@H](c2ccc(C)cc2)C2CC2)cc1C(=O)[O-] ZINC000902088666 1129978970 /nfs/dbraw/zinc/97/89/70/1129978970.db2.gz VIXXHDSGBHKLQY-QGZVFWFLSA-N -1 1 299.370 3.836 20 0 CHADMM O=C([O-])/C=C\c1ccc(CN[C@@H](c2ccccc2)C2CC2)o1 ZINC000902129237 1129983160 /nfs/dbraw/zinc/98/31/60/1129983160.db2.gz FWWOIIUVKVNOHT-LENZSSGSSA-N -1 1 297.354 3.618 20 0 CHADMM [O-]c1cccc(-c2ncc3sccc3n2)c1Cl ZINC001242798623 1130052865 /nfs/dbraw/zinc/05/28/65/1130052865.db2.gz MSRRLXRDHQYEDH-UHFFFAOYSA-N -1 1 262.721 3.717 20 0 CHADMM COC(=O)c1c(F)cc(-c2cccc([O-])c2Cl)cc1F ZINC001242799748 1130051267 /nfs/dbraw/zinc/05/12/67/1130051267.db2.gz AGJLXWZZAQGPHK-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM O=C(C/C=C\c1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000677647664 1130320033 /nfs/dbraw/zinc/32/00/33/1130320033.db2.gz VXZAPKUJEVFVFH-IWQZZHSRSA-N -1 1 289.281 3.712 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccsc3C)ccc2[n-]1 ZINC001240501519 1130331770 /nfs/dbraw/zinc/33/17/70/1130331770.db2.gz CXOWPJLCPNMOEA-UHFFFAOYSA-N -1 1 286.356 3.777 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccsc3C)cc2[n-]1 ZINC001240501519 1130331777 /nfs/dbraw/zinc/33/17/77/1130331777.db2.gz CXOWPJLCPNMOEA-UHFFFAOYSA-N -1 1 286.356 3.777 20 0 CHADMM [O-]c1ccc(-c2cnc3sccc3c2)c(F)c1F ZINC001243343359 1130387399 /nfs/dbraw/zinc/38/73/99/1130387399.db2.gz ACFBYYCNUTWFOU-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM COC[C@H]([N-]c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000678312435 1130399455 /nfs/dbraw/zinc/39/94/55/1130399455.db2.gz UQMXOWKSGOJNLY-HNNXBMFYSA-N -1 1 295.342 3.536 20 0 CHADMM Cc1ccc(/C=C\CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000678374619 1130409437 /nfs/dbraw/zinc/40/94/37/1130409437.db2.gz TVSZUUXKDOINOI-RQOWECAXSA-N -1 1 285.318 3.882 20 0 CHADMM CSc1nc2ccnc(-c3cc(F)ccc3[O-])c2s1 ZINC001240693514 1130421218 /nfs/dbraw/zinc/42/12/18/1130421218.db2.gz STWDLNXBYCJBGR-UHFFFAOYSA-N -1 1 292.360 3.925 20 0 CHADMM COc1ccc2c(ccnc2-c2cc(F)ccc2[O-])c1 ZINC001240693517 1130421396 /nfs/dbraw/zinc/42/13/96/1130421396.db2.gz SWRZUSLJAVILIN-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM COc1cc2ccnc(-c3cc(F)ccc3[O-])c2cc1OC ZINC001240694202 1130421577 /nfs/dbraw/zinc/42/15/77/1130421577.db2.gz QDGOHHNFUOUULL-UHFFFAOYSA-N -1 1 299.301 3.764 20 0 CHADMM CSc1nc2ccccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693743 1130421645 /nfs/dbraw/zinc/42/16/45/1130421645.db2.gz HNNVXPPCDCCRIA-UHFFFAOYSA-N -1 1 286.331 3.863 20 0 CHADMM CC(C)n1ccc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240696069 1130422053 /nfs/dbraw/zinc/42/20/53/1130422053.db2.gz YLMIEHXVQRRAHU-UHFFFAOYSA-N -1 1 271.295 3.524 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(Cc2ccncc2)n1 ZINC001240696304 1130422240 /nfs/dbraw/zinc/42/22/40/1130422240.db2.gz MBBYZZFSRPNNGF-UHFFFAOYSA-N -1 1 280.302 3.579 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccnc(Cc2ccccc2)n1 ZINC001240695724 1130422769 /nfs/dbraw/zinc/42/27/69/1130422769.db2.gz OUQOIHOQOWXWAO-UHFFFAOYSA-N -1 1 280.302 3.579 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccccc2F)nn1 ZINC001240695573 1130422854 /nfs/dbraw/zinc/42/28/54/1130422854.db2.gz MTOJDJPMQKSFMH-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM [O-]c1ccc(-c2ncc3c(n2)-c2ccccc2OC3)cc1F ZINC001240783240 1130468411 /nfs/dbraw/zinc/46/84/11/1130468411.db2.gz QMSRYDHEXYAMGG-UHFFFAOYSA-N -1 1 294.285 3.548 20 0 CHADMM [O-]c1ccc(-c2cc(OCc3ccccc3)cnn2)cc1F ZINC001240782326 1130468584 /nfs/dbraw/zinc/46/85/84/1130468584.db2.gz VYDREQKGDQATII-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM O=C([N-]OCC(F)(F)F)C1=C(c2ccccc2)CCCC1 ZINC000827244559 1130524568 /nfs/dbraw/zinc/52/45/68/1130524568.db2.gz YRWYNEIQTGARQR-UHFFFAOYSA-N -1 1 299.292 3.624 20 0 CHADMM Cc1ccc(C(=O)[O-])cc1-c1ccc(CN(C)C)c(F)c1 ZINC001241004695 1130561583 /nfs/dbraw/zinc/56/15/83/1130561583.db2.gz FHWWZGYGSMXJHM-UHFFFAOYSA-N -1 1 287.334 3.561 20 0 CHADMM FC(F)(F)[C@@H](Oc1nc2sccc2[n-]1)c1cccnc1 ZINC001234848394 1130681310 /nfs/dbraw/zinc/68/13/10/1130681310.db2.gz PJWSNXVLNGGRLR-VIFPVBQESA-N -1 1 299.277 3.702 20 0 CHADMM CCCCC[C@@](C)(CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000780536048 1130682552 /nfs/dbraw/zinc/68/25/52/1130682552.db2.gz MOJQJQQVOLLJRD-DZGCQCFKSA-N -1 1 271.401 3.557 20 0 CHADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC2CCC2)c1 ZINC000812794026 1130718963 /nfs/dbraw/zinc/71/89/63/1130718963.db2.gz NPEKTCHOYASXQR-CYBMUJFWSA-N -1 1 275.392 3.589 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(C(C)(C)C)n1 ZINC001236390738 1130924877 /nfs/dbraw/zinc/92/48/77/1130924877.db2.gz ICMHPZGRVIKTQN-UHFFFAOYSA-N -1 1 274.339 3.903 20 0 CHADMM Cc1ccc2ncnc(-c3c(F)ccc(C)c3[O-])c2c1 ZINC001236390829 1130925590 /nfs/dbraw/zinc/92/55/90/1130925590.db2.gz GGJYBAROSDHABW-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM Cc1cc2cc[nH]c2c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390858 1130925638 /nfs/dbraw/zinc/92/56/38/1130925638.db2.gz GPBSZOJGALROGS-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2ncncc2-c2ccccc2)c1[O-] ZINC001236393924 1130926544 /nfs/dbraw/zinc/92/65/44/1130926544.db2.gz YXHQHDSYVAIKKK-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1ccc(F)c(-c2nc(C)nc3ccccc32)c1[O-] ZINC001236392462 1130926749 /nfs/dbraw/zinc/92/67/49/1130926749.db2.gz OOIDXRBVNPOHOO-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM CCCCCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000798157724 1131026633 /nfs/dbraw/zinc/02/66/33/1131026633.db2.gz JUGWMSKSZJBHSN-JTQLQIEISA-N -1 1 285.334 3.759 20 0 CHADMM C[C@H]1CCCCN1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990732 1131158710 /nfs/dbraw/zinc/15/87/10/1131158710.db2.gz PYYSLLIUMXOYLC-VIFPVBQESA-N -1 1 257.736 3.559 20 0 CHADMM O=C(Nc1ccc(Br)c([O-])c1)C1=CCCCC1 ZINC001116888275 1131168889 /nfs/dbraw/zinc/16/88/89/1131168889.db2.gz YLOCHEGGAXNKKQ-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM C[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238146710 1131174660 /nfs/dbraw/zinc/17/46/60/1131174660.db2.gz MAQFGQBXAUHUNH-JTQLQIEISA-N -1 1 271.763 3.807 20 0 CHADMM C[C@H]1CCCCN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238143940 1131174940 /nfs/dbraw/zinc/17/49/40/1131174940.db2.gz RLBMNEYUNQKHOS-JTQLQIEISA-N -1 1 271.763 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277.314 3.611 20 0 CHADMM CN(Cc1ccccc1Cl)Cc1c(F)cc([O-])cc1F ZINC001144553342 1131655236 /nfs/dbraw/zinc/65/52/36/1131655236.db2.gz AGFOTWSGLLHKEU-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM [O-]c1cc(F)c(CN2CC[C@@H]2c2ccccc2)c(F)c1 ZINC001144558700 1131659332 /nfs/dbraw/zinc/65/93/32/1131659332.db2.gz AMTLQAMJNMSHIY-MRXNPFEDSA-N -1 1 275.298 3.617 20 0 CHADMM Cc1cccc2c1CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144646665 1131673535 /nfs/dbraw/zinc/67/35/35/1131673535.db2.gz GCRIRSZBUGXXHS-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CCc1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144658125 1131674909 /nfs/dbraw/zinc/67/49/09/1131674909.db2.gz RNBATQZIRWRUCS-UHFFFAOYSA-N -1 1 291.341 3.865 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2ccccc2o1 ZINC001140653109 1131847394 /nfs/dbraw/zinc/84/73/94/1131847394.db2.gz VUVUDILQPWNPDN-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc([O-])cc1F ZINC001148582066 1131865569 /nfs/dbraw/zinc/86/55/69/1131865569.db2.gz 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ZINC000520419463 265811756 /nfs/dbraw/zinc/81/17/56/265811756.db2.gz UGAPUZDNPKXIEE-UHFFFAOYSA-N -1 1 297.763 3.504 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000378835665 327760815 /nfs/dbraw/zinc/76/08/15/327760815.db2.gz MEIMGRNXBXMMRI-WBMJQRKESA-N -1 1 281.355 3.560 20 0 CHADMM CC(C)C(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000570534040 327598701 /nfs/dbraw/zinc/59/87/01/327598701.db2.gz KQBYAWADIRCFDK-UHFFFAOYSA-N -1 1 271.360 3.710 20 0 CHADMM Cc1cc(C)cc(CCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000536221950 328661931 /nfs/dbraw/zinc/66/19/31/328661931.db2.gz ZIEUQKJUWDZJQZ-UHFFFAOYSA-N -1 1 287.334 3.719 20 0 CHADMM O=C(NCCc1ccsc1)c1cc2ccccc2cc1[O-] ZINC000042373224 328767264 /nfs/dbraw/zinc/76/72/64/328767264.db2.gz MDIXTCVOEVVURO-UHFFFAOYSA-N -1 1 297.379 3.579 20 0 CHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(Cl)c2)n1 ZINC000193538948 329058825 /nfs/dbraw/zinc/05/88/25/329058825.db2.gz XLNKNAZQHZFGCY-QMMMGPOBSA-N -1 1 296.779 3.703 20 0 CHADMM CN(C[C@H]1CC=CCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000402655169 332849641 /nfs/dbraw/zinc/84/96/41/332849641.db2.gz MGTOEPSLQQAUMF-AWEZNQCLSA-N -1 1 295.382 3.974 20 0 CHADMM C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186178294 329339091 /nfs/dbraw/zinc/33/90/91/329339091.db2.gz YNIQGVGGOZMZFA-LLVKDONJSA-N -1 1 277.314 3.863 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCCC2 ZINC000509168765 332860784 /nfs/dbraw/zinc/86/07/84/332860784.db2.gz HDLDCSRUZQBJMF-JTQLQIEISA-N -1 1 265.740 3.564 20 0 CHADMM CS(=O)(=O)[N-]c1ccccc1Oc1ccccc1Cl ZINC000514702372 329756332 /nfs/dbraw/zinc/75/63/32/329756332.db2.gz KYSCZZGJEARCLG-UHFFFAOYSA-N -1 1 297.763 3.504 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000421657549 329966370 /nfs/dbraw/zinc/96/63/70/329966370.db2.gz TZXIAAVGUDQJOM-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H](F)C3)n2)c(F)c1 ZINC000424362941 330347447 /nfs/dbraw/zinc/34/74/47/330347447.db2.gz YHFUKBGVYJIERP-BDAKNGLRSA-N -1 1 280.274 3.577 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)c(F)c1 ZINC000424362942 330347532 /nfs/dbraw/zinc/34/75/32/330347532.db2.gz YHFUKBGVYJIERP-DTWKUNHWSA-N -1 1 280.274 3.577 20 0 CHADMM C[C@@H]1CCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443197 330353648 /nfs/dbraw/zinc/35/36/48/330353648.db2.gz BJACXYSBHMJDHK-SCZZXKLOSA-N -1 1 278.739 3.999 20 0 CHADMM C[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445444800 330356892 /nfs/dbraw/zinc/35/68/92/330356892.db2.gz GZLGZSRGFLKEPH-RKDXNWHRSA-N -1 1 278.739 3.999 20 0 CHADMM CC(C)=C(F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447405 330362583 /nfs/dbraw/zinc/36/25/83/330362583.db2.gz OVGMAZSOIVSZFO-UHFFFAOYSA-N -1 1 268.675 3.816 20 0 CHADMM CCc1noc(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000120963009 330393802 /nfs/dbraw/zinc/39/38/02/330393802.db2.gz QPGLSOLHEFNSNW-UHFFFAOYSA-N -1 1 296.326 3.657 20 0 CHADMM Cc1cccc(C)c1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445458889 330498054 /nfs/dbraw/zinc/49/80/54/330498054.db2.gz VTZRVBZSBCTWBJ-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM CCCC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000445459019 330498160 /nfs/dbraw/zinc/49/81/60/330498160.db2.gz WSVIBVFKVQRWKU-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM CCc1ccc(C(=O)Nc2nc(C3CC3)cs2)c([O-])c1 ZINC000436810809 330685618 /nfs/dbraw/zinc/68/56/18/330685618.db2.gz YRMZIYMSFLWEGS-UHFFFAOYSA-N -1 1 288.372 3.541 20 0 CHADMM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000436819417 330685940 /nfs/dbraw/zinc/68/59/40/330685940.db2.gz NFSPLBNWGPIKOZ-HNNXBMFYSA-N -1 1 299.345 3.508 20 0 CHADMM Cc1ccc2nc(C(=O)Nc3ccc(F)cc3[O-])ccc2c1 ZINC000436820823 330685954 /nfs/dbraw/zinc/68/59/54/330685954.db2.gz SOYPNRLXXNHRRE-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(Nc1ccnc(-c2ccccc2)c1)c1ccccc1[O-] ZINC000436850159 330686774 /nfs/dbraw/zinc/68/67/74/330686774.db2.gz YYRFLKCSEPTQPU-UHFFFAOYSA-N -1 1 290.322 3.707 20 0 CHADMM CCCN(CC(C)C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442854228 330787221 /nfs/dbraw/zinc/78/72/21/330787221.db2.gz KOVYVFXUSJVWAK-UHFFFAOYSA-N -1 1 299.798 3.562 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccnc(C4CC4)c3)n2)cc1F ZINC000445481794 330829624 /nfs/dbraw/zinc/82/96/24/330829624.db2.gz QIUBZWVAYPWIBR-UHFFFAOYSA-N -1 1 297.289 3.521 20 0 CHADMM CC(C)(C)C1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000457334974 331219365 /nfs/dbraw/zinc/21/93/65/331219365.db2.gz XQQVYNSEOPNLMT-UHFFFAOYSA-N -1 1 283.371 3.664 20 0 CHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167037702 331307821 /nfs/dbraw/zinc/30/78/21/331307821.db2.gz WNZXWGVECYJPPM-GFCCVEGCSA-N -1 1 299.773 3.698 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167044732 331307878 /nfs/dbraw/zinc/30/78/78/331307878.db2.gz VXKMXDLHNCQRFA-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM Cc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000511636422 332937717 /nfs/dbraw/zinc/93/77/17/332937717.db2.gz NSJPUUURGPYVIJ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)c1 ZINC000176670465 333045517 /nfs/dbraw/zinc/04/55/17/333045517.db2.gz RUJCCWVKFXCCFB-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000088707552 333091447 /nfs/dbraw/zinc/09/14/47/333091447.db2.gz IMGPQLXHPSURHF-QWHCGFSZSA-N -1 1 283.371 3.806 20 0 CHADMM CC[C@@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)C(C)C ZINC000517096495 333092713 /nfs/dbraw/zinc/09/27/13/333092713.db2.gz BUENIXUYNYMKPB-NSHDSACASA-N -1 1 291.420 3.571 20 0 CHADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000088845518 333092886 /nfs/dbraw/zinc/09/28/86/333092886.db2.gz LZFABMYRCFXMFV-INIZCTEOSA-N -1 1 283.371 3.806 20 0 CHADMM CC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000232484655 333337286 /nfs/dbraw/zinc/33/72/86/333337286.db2.gz MVSKSOMTFOOYFD-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM CCC(CC)[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004799 333517723 /nfs/dbraw/zinc/51/77/23/333517723.db2.gz GVDQGQJYMUVIGF-SECBINFHSA-N -1 1 253.317 3.542 20 0 CHADMM [O-]c1cccc(CNc2cccc(CCCO)c2)c1Cl ZINC000328478031 333533494 /nfs/dbraw/zinc/53/34/94/333533494.db2.gz PBMYYWXHMSWPMH-UHFFFAOYSA-N -1 1 291.778 3.583 20 0 CHADMM Cc1nc(SCCCCC(F)(F)F)[n-]c(=O)c1C ZINC000538516196 333602647 /nfs/dbraw/zinc/60/26/47/333602647.db2.gz OSXLQFFLRXLWJU-UHFFFAOYSA-N -1 1 280.315 3.624 20 0 CHADMM CCN(Cc1ccccc1C)C(=O)c1cc(F)ccc1[O-] ZINC000135254698 334121799 /nfs/dbraw/zinc/12/17/99/334121799.db2.gz MGPQZGNDRFAATG-UHFFFAOYSA-N -1 1 287.334 3.502 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2cccc(F)c2Cl)n1 ZINC000555052563 334466558 /nfs/dbraw/zinc/46/65/58/334466558.db2.gz BSOCRYQWLCLNMN-UHFFFAOYSA-N -1 1 298.770 3.829 20 0 CHADMM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000576709059 335238330 /nfs/dbraw/zinc/23/83/30/335238330.db2.gz MCNXEJRBLSXGOO-MGCOHNPYSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1ccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574712 335288059 /nfs/dbraw/zinc/28/80/59/335288059.db2.gz HYMRTVREKRYQQI-GOEBONIOSA-N -1 1 285.343 3.551 20 0 CHADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000581648430 336117513 /nfs/dbraw/zinc/11/75/13/336117513.db2.gz NPGIDLONVUWSPH-UHFFFAOYSA-N -1 1 296.436 3.527 20 0 CHADMM CC(C)CCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280720105 519648206 /nfs/dbraw/zinc/64/82/06/519648206.db2.gz HGMJDHBORVLEPK-JTQLQIEISA-N -1 1 285.334 3.615 20 0 CHADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000094904179 520233526 /nfs/dbraw/zinc/23/35/26/520233526.db2.gz YTFTVQOGFTXECG-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000008699010 534531362 /nfs/dbraw/zinc/53/13/62/534531362.db2.gz AOIXFODDSPISJL-LBPRGKRZSA-N -1 1 288.174 3.605 20 0 CHADMM CCCc1nc(-c2nc(=O)c3cc(CC)sc3[n-]2)co1 ZINC000280893559 521466750 /nfs/dbraw/zinc/46/67/50/521466750.db2.gz DHKGHWMDJUGKPR-UHFFFAOYSA-N -1 1 289.360 3.567 20 0 CHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnc2ccccc12 ZINC000340327614 525656552 /nfs/dbraw/zinc/65/65/52/525656552.db2.gz ACDMOISFYMXZIO-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CCN(CCC(F)(F)F)Cc1cc(C(=O)[O-])sc1C ZINC000652405528 601624860 /nfs/dbraw/zinc/62/48/60/601624860.db2.gz KGPULPYRSQCXST-UHFFFAOYSA-N -1 1 295.326 3.529 20 0 CHADMM C[C@H]1c2c(F)cccc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000736838763 600441314 /nfs/dbraw/zinc/44/13/14/600441314.db2.gz TVRIKLCFOJERPQ-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000569111471 600862124 /nfs/dbraw/zinc/86/21/24/600862124.db2.gz UCUGCMMIPGMREH-DGCLKSJQSA-N -1 1 289.331 3.544 20 0 CHADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2ccco2)s1 ZINC000833313078 601958508 /nfs/dbraw/zinc/95/85/08/601958508.db2.gz NZHLHFFIXSDSFB-GFCCVEGCSA-N -1 1 291.372 3.767 20 0 CHADMM C[C@H](c1ccco1)N(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000568060124 601962806 /nfs/dbraw/zinc/96/28/06/601962806.db2.gz RKIVUEMUZKJFSO-SNVBAGLBSA-N -1 1 291.372 3.765 20 0 CHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC000381915264 971788111 /nfs/dbraw/zinc/78/81/11/971788111.db2.gz NRQSFDGABJNPHB-LLVKDONJSA-N -1 1 289.762 3.889 20 0 CHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000062015237 957597219 /nfs/dbraw/zinc/59/72/19/957597219.db2.gz DACFXSAGRSKGCF-JTQLQIEISA-N -1 1 293.750 3.824 20 0 CHADMM C[C@H](c1ccccc1F)N(C)Cc1ccccc1C(=O)[O-] ZINC000062015338 957597606 /nfs/dbraw/zinc/59/76/06/957597606.db2.gz LLUUXZDRRUHJQB-GFCCVEGCSA-N -1 1 287.334 3.717 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN(C)Cc1ccc(F)cc1 ZINC000122741455 958485908 /nfs/dbraw/zinc/48/59/08/958485908.db2.gz YWUNVZKYZKBEGC-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM Cc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000235195100 960396321 /nfs/dbraw/zinc/39/63/21/960396321.db2.gz GIGBJTSQUQODGM-SNVBAGLBSA-N -1 1 279.361 3.507 20 0 CHADMM Cc1cc([C@H](C)NCc2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000235517809 960448813 /nfs/dbraw/zinc/44/88/13/960448813.db2.gz LZBLEDWQOWUBLH-JTQLQIEISA-N -1 1 291.322 3.585 20 0 CHADMM CC(C)(C)c1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC001588741253 961169520 /nfs/dbraw/zinc/16/95/20/961169520.db2.gz XHIPLCAUFUSBQZ-UHFFFAOYSA-N -1 1 293.388 3.627 20 0 CHADMM CCS[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000111667234 1125483306 /nfs/dbraw/zinc/48/33/06/1125483306.db2.gz HXXRXJYKOUUSHW-LBPRGKRZSA-N -1 1 287.812 3.762 20 0 CHADMM CCCC[C@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000656565704 975663838 /nfs/dbraw/zinc/66/38/38/975663838.db2.gz RFEWIMJBIJQCIU-HNNXBMFYSA-N -1 1 289.375 3.728 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CC1CCC(F)(F)CC1)C2 ZINC000659790970 975878468 /nfs/dbraw/zinc/87/84/68/975878468.db2.gz WNYVNKMEZDXTGX-UHFFFAOYSA-N -1 1 295.329 3.526 20 0 CHADMM C[N@@H+](CCCCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000680017079 976052166 /nfs/dbraw/zinc/05/21/66/976052166.db2.gz QAZWGLYWHBPUPB-UHFFFAOYSA-N -1 1 290.190 3.680 20 0 CHADMM CN(CCCCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000680017079 976052175 /nfs/dbraw/zinc/05/21/75/976052175.db2.gz QAZWGLYWHBPUPB-UHFFFAOYSA-N -1 1 290.190 3.680 20 0 CHADMM C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000712341233 977580542 /nfs/dbraw/zinc/58/05/42/977580542.db2.gz OIIPJSIOINGPHZ-SECBINFHSA-N -1 1 293.413 3.627 20 0 CHADMM CC[C@@](NCc1csc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000901655213 980430630 /nfs/dbraw/zinc/43/06/30/980430630.db2.gz ZFXSGFRVKMJCMH-INIZCTEOSA-N -1 1 289.400 3.536 20 0 CHADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901848600 980572845 /nfs/dbraw/zinc/57/28/45/980572845.db2.gz GEKSAINNZWFQQJ-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM Cc1ccoc1CN(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902244982 980797132 /nfs/dbraw/zinc/79/71/32/980797132.db2.gz DFBXTSOFCGETFF-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM CSc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000902382721 980865193 /nfs/dbraw/zinc/86/51/93/980865193.db2.gz UFVBDAFFQVTOCS-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM C[C@H](CC(C)(C)CC(=O)[O-])NCC(F)(F)C(C)(C)C ZINC000902469909 980902220 /nfs/dbraw/zinc/90/22/20/980902220.db2.gz CJTAIHRVWXAYPW-SNVBAGLBSA-N -1 1 279.371 3.537 20 0 CHADMM C[C@@H](c1cccs1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902511557 980915419 /nfs/dbraw/zinc/91/54/19/980915419.db2.gz JPDBNQLMBVIFJR-TVRMLOFPSA-N -1 1 291.372 3.632 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CC[C@H]1CCCC1(F)F)C2 ZINC000903607458 980988458 /nfs/dbraw/zinc/98/84/58/980988458.db2.gz BVIYHOXUNZXEGQ-CQSZACIVSA-N -1 1 295.329 3.526 20 0 CHADMM CC[C@@](C)(NCc1occc1C(=O)[O-])c1ccc(F)cc1 ZINC001594852998 982103489 /nfs/dbraw/zinc/10/34/89/982103489.db2.gz BXADKIYRMSZWJL-MRXNPFEDSA-N -1 1 291.322 3.532 20 0 CHADMM COc1ccc(C)c(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001214631339 1125494620 /nfs/dbraw/zinc/49/46/20/1125494620.db2.gz WUZCZCSBNWHRIJ-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM C[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001594536642 986155917 /nfs/dbraw/zinc/15/59/17/986155917.db2.gz FFRHCKHSZHQHTA-OCEKKPHPSA-N -1 1 297.354 3.570 20 0 CHADMM CC[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC001597291568 987379593 /nfs/dbraw/zinc/37/95/93/987379593.db2.gz MARAHEBWQHHUCD-BLIJAFNYSA-N -1 1 285.343 3.618 20 0 CHADMM CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001597349767 987487819 /nfs/dbraw/zinc/48/78/19/987487819.db2.gz YGXFTFYMWVVXOL-FZMZJTMJSA-N -1 1 273.332 3.780 20 0 CHADMM CC(C)[C@@H]1CN([C@@H](C)c2ncc(C(=O)[O-])s2)[C@H]1C(C)C ZINC001591093364 991657502 /nfs/dbraw/zinc/65/75/02/991657502.db2.gz RHQXABRNOBBBRB-GVXVVHGQSA-N -1 1 296.436 3.515 20 0 CHADMM Cc1c(O)cccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489692 1120312276 /nfs/dbraw/zinc/31/22/76/1120312276.db2.gz HOBCASFIVKSEGA-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM C[C@@H](NC1(c2ccccc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593210801 994254856 /nfs/dbraw/zinc/25/48/56/994254856.db2.gz RYRWSBOFZWHOMQ-GFCCVEGCSA-N -1 1 285.343 3.708 20 0 CHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593317653 994821464 /nfs/dbraw/zinc/82/14/64/994821464.db2.gz SEYSEZRQMSOXFJ-QMMMGPOBSA-N -1 1 297.713 3.621 20 0 CHADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c(F)c1 ZINC001175324624 1121283589 /nfs/dbraw/zinc/28/35/89/1121283589.db2.gz CZEMTCGXIQPCNQ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc(C)c2Cl)cc1 ZINC001227111369 1123554451 /nfs/dbraw/zinc/55/44/51/1123554451.db2.gz KOROIEOUNOGLOZ-SNVBAGLBSA-N -1 1 278.739 3.592 20 0 CHADMM CSc1nc(O[C@@H](C)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC001228092168 1124135051 /nfs/dbraw/zinc/13/50/51/1124135051.db2.gz AQUTYOLVIUCGDS-QMMMGPOBSA-N -1 1 296.779 3.698 20 0 CHADMM CCN(Cc1cccs1)Cc1cc(F)c([O-])cc1F ZINC001144659596 1131678856 /nfs/dbraw/zinc/67/88/56/1131678856.db2.gz MLYMQBMCMZMEHQ-UHFFFAOYSA-N -1 1 283.343 3.754 20 0 CHADMM CCOc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001173850219 1132553435 /nfs/dbraw/zinc/55/34/35/1132553435.db2.gz KNHASSZBWCEWSA-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(C)c1 ZINC001174023520 1132698493 /nfs/dbraw/zinc/69/84/93/1132698493.db2.gz IUQSCGYWEQQZHX-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM CSc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC001165918470 1133254774 /nfs/dbraw/zinc/25/47/74/1133254774.db2.gz ZGDOIIPHLMVVGK-UHFFFAOYSA-N -1 1 292.429 3.813 20 0 CHADMM [O-]c1c(F)cc(Nc2nc(F)ccc2F)cc1Cl ZINC001214484402 1134543476 /nfs/dbraw/zinc/54/34/76/1134543476.db2.gz JHFBWUDUZRPNRN-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CCc1cccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214484655 1134544327 /nfs/dbraw/zinc/54/43/27/1134544327.db2.gz OVBNHOYROCCGCP-UHFFFAOYSA-N -1 1 266.703 3.886 20 0 CHADMM C[C@@H]1C[C@H](Oc2cc(Cl)c([O-])cc2Cl)CCO1 ZINC001227644740 1135852155 /nfs/dbraw/zinc/85/21/55/1135852155.db2.gz CYGRTSJWFLYFAS-HTQZYQBOSA-N -1 1 277.147 3.645 20 0 CHADMM CC[C@@H](COC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641483 1135852535 /nfs/dbraw/zinc/85/25/35/1135852535.db2.gz NTQXSEWIVRDWLS-ZETCQYMHSA-N -1 1 265.136 3.503 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001202700995 1125518552 /nfs/dbraw/zinc/51/85/52/1125518552.db2.gz KIURJGADFDZQQX-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CCCCOC[C@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229474637 1125584618 /nfs/dbraw/zinc/58/46/18/1125584618.db2.gz ITJZLGVBGDTBKM-LBPRGKRZSA-N -1 1 280.364 3.569 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C2CC2)CCC1 ZINC000885682483 1125620240 /nfs/dbraw/zinc/62/02/40/1125620240.db2.gz QGWGNQFHQMQHSD-UHFFFAOYSA-N -1 1 283.730 3.704 20 0 CHADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325043 1125627927 /nfs/dbraw/zinc/62/79/27/1125627927.db2.gz ZXGKKKQUOJBNKH-GWCFXTLKSA-N -1 1 281.783 3.744 20 0 CHADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000110325289 1125629219 /nfs/dbraw/zinc/62/92/19/1125629219.db2.gz KBOYTLBIZBXGNV-MNOVXSKESA-N -1 1 281.783 3.602 20 0 CHADMM COC(=O)c1cccc(C)c1-c1cccc(Cl)c1[O-] ZINC001242366443 1129798235 /nfs/dbraw/zinc/79/82/35/1129798235.db2.gz MQDBNQRUOVLIOR-UHFFFAOYSA-N -1 1 276.719 3.808 20 0 CHADMM CC[C@H]1CCCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769908892 1129929702 /nfs/dbraw/zinc/92/97/02/1129929702.db2.gz ZZVOFHWWLYVQBQ-NSHDSACASA-N -1 1 281.783 3.840 20 0 CHADMM C[C@H](CC(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908716154 1127012900 /nfs/dbraw/zinc/01/29/00/1127012900.db2.gz FGCNSKJOTPVJFD-MRVPVSSYSA-N -1 1 298.180 3.529 20 0 CHADMM O=C(Nc1cccc([O-])c1Br)C1=CCCCC1 ZINC000908709941 1127013443 /nfs/dbraw/zinc/01/34/43/1127013443.db2.gz NYGFGVSXRCONSP-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM CCCc1nc(C)c(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000269082525 1127034882 /nfs/dbraw/zinc/03/48/82/1127034882.db2.gz WPAFGRNPAKOKIU-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM CC(C)(CC(=O)Nc1cc([O-])c(F)cc1F)C(F)(F)F ZINC000909986698 1127043001 /nfs/dbraw/zinc/04/30/01/1127043001.db2.gz SLEKPCICWMPPRZ-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM CCC[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273927533 1127102900 /nfs/dbraw/zinc/10/29/00/1127102900.db2.gz HFTFQUIIYBSTAO-SNVBAGLBSA-N -1 1 299.798 3.705 20 0 CHADMM CCSCC[C@H](C)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000351767304 1127208747 /nfs/dbraw/zinc/20/87/47/1127208747.db2.gz UTVPFIQYPHWKLJ-JTQLQIEISA-N -1 1 289.391 3.634 20 0 CHADMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000057307739 1127252951 /nfs/dbraw/zinc/25/29/51/1127252951.db2.gz IVTLAWZQRSWBBO-NSHDSACASA-N -1 1 289.762 3.845 20 0 CHADMM C[C@H]1CN(Cc2cc(Cl)c([O-])cc2F)C2(CC2)C1 ZINC001238154760 1131176026 /nfs/dbraw/zinc/17/60/26/1131176026.db2.gz LOHNVOOYMCTJDD-SECBINFHSA-N -1 1 269.747 3.559 20 0 CHADMM CC(C)Oc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591726238 1127314474 /nfs/dbraw/zinc/31/44/74/1127314474.db2.gz GUXQAWVEROCWFF-UHFFFAOYSA-N -1 1 298.317 3.929 20 0 CHADMM Cc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1F ZINC000591726286 1127314585 /nfs/dbraw/zinc/31/45/85/1127314585.db2.gz HHNVAEIQOOXWRJ-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CCCC1(C(=O)Nc2ccc(Br)c([O-])c2)CC1 ZINC001117996590 1131207161 /nfs/dbraw/zinc/20/71/61/1131207161.db2.gz KVKCSTCSVQXHAN-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM Cc1cc(C[N@@H+](C)Cc2csc(C(=O)[O-])c2)ccc1F ZINC000573617420 1127320255 /nfs/dbraw/zinc/32/02/55/1127320255.db2.gz UYKOTHLZRZEYFU-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM Cc1cc(CN(C)Cc2csc(C(=O)[O-])c2)ccc1F ZINC000573617420 1127320257 /nfs/dbraw/zinc/32/02/57/1127320257.db2.gz UYKOTHLZRZEYFU-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM CCCC[C@@H](CC)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019277 1127322404 /nfs/dbraw/zinc/32/24/04/1127322404.db2.gz VKKMEMLWTGEEAQ-KGLIPLIRSA-N -1 1 294.372 3.956 20 0 CHADMM CC(C)(C)C1CCC(OCCCC[P@](=O)([O-])O)CC1 ZINC001225023611 1127325929 /nfs/dbraw/zinc/32/59/29/1127325929.db2.gz ZBZZVFFAJLSYGJ-UHFFFAOYSA-N -1 1 292.356 3.566 20 0 CHADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1cccc(C)c1C ZINC000298380016 1127721300 /nfs/dbraw/zinc/72/13/00/1127721300.db2.gz BJIZVNJREMOXKA-UHFFFAOYSA-N -1 1 299.370 3.684 20 0 CHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC12CCC2 ZINC000365631686 1127736510 /nfs/dbraw/zinc/73/65/10/1127736510.db2.gz YMUYMGAQPSXQJB-UHFFFAOYSA-N -1 1 299.292 3.570 20 0 CHADMM CC[C@H](Cc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000608366352 1127862595 /nfs/dbraw/zinc/86/25/95/1127862595.db2.gz SPHVJODHMYSHLD-CYBMUJFWSA-N -1 1 287.334 3.739 20 0 CHADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000608366218 1127863223 /nfs/dbraw/zinc/86/32/23/1127863223.db2.gz PJCXFCBGIXNGMX-VIFPVBQESA-N -1 1 293.725 3.927 20 0 CHADMM CCc1cc(=O)[n-]c(SCCCC(C)(C)C)n1 ZINC000539709706 1127936867 /nfs/dbraw/zinc/93/68/67/1127936867.db2.gz MEOXJIYVLZZCJI-UHFFFAOYSA-N -1 1 254.399 3.663 20 0 CHADMM O=C(Nc1cccc(O)c1F)c1ccc2ccccc2c1[O-] ZINC000539865627 1127950379 /nfs/dbraw/zinc/95/03/79/1127950379.db2.gz ZCNLWRRRAPFTSR-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM Cc1noc(C)c1[C@H](C)NCc1cccc([O-])c1Cl ZINC000328341876 1128077937 /nfs/dbraw/zinc/07/79/37/1128077937.db2.gz LKIRHXUOJGXXPK-QMMMGPOBSA-N -1 1 280.755 3.501 20 0 CHADMM O=C(/C=C\C1CCCCC1)Nc1ccc([O-])c(F)c1F ZINC000493711365 1128147874 /nfs/dbraw/zinc/14/78/74/1128147874.db2.gz DEKODLJDTSGMBF-TWGQIWQCSA-N -1 1 281.302 3.745 20 0 CHADMM Cc1ccccc1[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000784514978 1128237234 /nfs/dbraw/zinc/23/72/34/1128237234.db2.gz BIMBKJQIWZRMDF-NSHDSACASA-N -1 1 274.291 3.758 20 0 CHADMM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001290763270 1128275341 /nfs/dbraw/zinc/27/53/41/1128275341.db2.gz NNFDSIGYVSHTOI-GFCCVEGCSA-N -1 1 287.334 3.673 20 0 CHADMM CCc1ccc([C@H](C)C(=O)[N-]OC2CCCCC2)cc1 ZINC000777956952 1128348241 /nfs/dbraw/zinc/34/82/41/1128348241.db2.gz APFBJLSIFKWVEN-ZDUSSCGKSA-N -1 1 275.392 3.733 20 0 CHADMM CCc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000032532004 1128391249 /nfs/dbraw/zinc/39/12/49/1128391249.db2.gz QOJLYCWFPYRKEG-UHFFFAOYSA-N -1 1 295.429 3.728 20 0 CHADMM Cc1ccc(NCc2cccc([O-])c2Cl)c(C)n1 ZINC000328196275 1128409032 /nfs/dbraw/zinc/40/90/32/1128409032.db2.gz DZBDPNIGOTWDGD-UHFFFAOYSA-N -1 1 262.740 3.670 20 0 CHADMM COc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328338169 1128427674 /nfs/dbraw/zinc/42/76/74/1128427674.db2.gz KRDZIDBFOJAXEK-UHFFFAOYSA-N -1 1 263.724 3.666 20 0 CHADMM O=C(Cc1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000067738954 1128487200 /nfs/dbraw/zinc/48/72/00/1128487200.db2.gz OGOCOWQNQDPWAY-UHFFFAOYSA-N -1 1 296.153 3.880 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000565898250 1128534200 /nfs/dbraw/zinc/53/42/00/1128534200.db2.gz OPRYDIJJEKWGEP-JTQLQIEISA-N -1 1 291.322 3.618 20 0 CHADMM CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000566284746 1128541175 /nfs/dbraw/zinc/54/11/75/1128541175.db2.gz XPOVRVURACHBGY-NSHDSACASA-N -1 1 263.312 3.606 20 0 CHADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129529524 1128543230 /nfs/dbraw/zinc/54/32/30/1128543230.db2.gz YLXFRHGKFKWAMM-HZMBPMFUSA-N -1 1 297.782 3.579 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)c(Cl)c1 ZINC000567600559 1128567624 /nfs/dbraw/zinc/56/76/24/1128567624.db2.gz HCZNXGALTGGWSU-AEJSXWLSSA-N -1 1 290.750 3.999 20 0 CHADMM Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)n1 ZINC000131563884 1128627780 /nfs/dbraw/zinc/62/77/80/1128627780.db2.gz IHUGVPSYKXAEEP-LLVKDONJSA-N -1 1 292.329 3.567 20 0 CHADMM O=C(NCCCC1CCCC1)c1c([O-])cccc1Cl ZINC000920443587 1128682237 /nfs/dbraw/zinc/68/22/37/1128682237.db2.gz JWPVDEDZZOVENW-UHFFFAOYSA-N -1 1 281.783 3.746 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2cccc3c2CCO3)c([O-])c1 ZINC000622572729 1117746176 /nfs/dbraw/zinc/74/61/76/1117746176.db2.gz UBVYWKCDGBJLDL-UHFFFAOYSA-N -1 1 297.354 3.703 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3ccc(F)cc32)c1[O-] ZINC001236389500 1128745003 /nfs/dbraw/zinc/74/50/03/1128745003.db2.gz FLHBDWMXXQDJBY-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM Cc1cccc(CCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000579551447 1128751496 /nfs/dbraw/zinc/75/14/96/1128751496.db2.gz LXCGRWDIUXCGTM-UHFFFAOYSA-N -1 1 298.317 3.675 20 0 CHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1c1ccsc1 ZINC001625853696 1118046004 /nfs/dbraw/zinc/04/60/04/1118046004.db2.gz CHSYCZAVMSAZSZ-GFCCVEGCSA-N -1 1 291.347 3.570 20 0 CHADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397158221 1118077539 /nfs/dbraw/zinc/07/75/39/1118077539.db2.gz QEKPJWYKEPCERL-CRAIPNDOSA-N -1 1 283.371 3.710 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000683593994 1118209065 /nfs/dbraw/zinc/20/90/65/1118209065.db2.gz SCBDPTQTDBRJIT-SECBINFHSA-N -1 1 276.311 3.875 20 0 CHADMM Nc1ccc2cn(-c3cccc(Cl)c3[O-])nc2c1Cl ZINC001210222544 1118211779 /nfs/dbraw/zinc/21/17/79/1118211779.db2.gz NKGDEXNNOJQDCJ-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1sccc1C1CC1 ZINC001648846532 1118252747 /nfs/dbraw/zinc/25/27/47/1118252747.db2.gz ANFOURWKFSLQTO-UHFFFAOYSA-N -1 1 277.320 3.723 20 0 CHADMM COCOc1ccc(C)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001214369004 1118256270 /nfs/dbraw/zinc/25/62/70/1118256270.db2.gz UMXXMDJAEQHFQK-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM CC[C@@H](C)Oc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000065709834 1118337473 /nfs/dbraw/zinc/33/74/73/1118337473.db2.gz AFZAMHQZRDNLJU-GFCCVEGCSA-N -1 1 285.343 3.822 20 0 CHADMM O=C(C/C=C/c1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000089541392 1118436709 /nfs/dbraw/zinc/43/67/09/1118436709.db2.gz VXZAPKUJEVFVFH-HNQUOIGGSA-N -1 1 289.281 3.712 20 0 CHADMM CCOc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001211050288 1118446878 /nfs/dbraw/zinc/44/68/78/1118446878.db2.gz GBNYHXUGNAPMFH-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM [O-]c1cc(F)c(-c2cc(F)c(F)c(F)c2)cc1F ZINC001211340241 1118505763 /nfs/dbraw/zinc/50/57/63/1118505763.db2.gz UQJAUTPHHGQWPF-UHFFFAOYSA-N -1 1 260.161 3.755 20 0 CHADMM COc1cc(-c2cc(F)c([O-])cc2F)cc2[nH]ccc21 ZINC001211351716 1118506816 /nfs/dbraw/zinc/50/68/16/1118506816.db2.gz BFCZRQLFNKNQPI-UHFFFAOYSA-N -1 1 275.254 3.827 20 0 CHADMM COc1cccc2cc(-c3cc(F)c([O-])cc3F)cnc21 ZINC001211351646 1118506992 /nfs/dbraw/zinc/50/69/92/1118506992.db2.gz AKIMQLYQCSUGTO-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000395419311 1118828560 /nfs/dbraw/zinc/82/85/60/1118828560.db2.gz JKEJBHGARFYLIU-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CC[C@H](C)N(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616978014 1128805464 /nfs/dbraw/zinc/80/54/64/1128805464.db2.gz RUGVUPWIHHCARC-VIFPVBQESA-N -1 1 289.297 3.672 20 0 CHADMM CCCC[C@@H](CC)CSc1ncc(C)c(=O)[n-]1 ZINC000657261588 1118941836 /nfs/dbraw/zinc/94/18/36/1118941836.db2.gz HCPGIBUEPQNTNV-LLVKDONJSA-N -1 1 254.399 3.799 20 0 CHADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([O-])cc1F ZINC000226715892 1119304568 /nfs/dbraw/zinc/30/45/68/1119304568.db2.gz WNZBEVIONPWFBY-JTQLQIEISA-N -1 1 291.297 3.504 20 0 CHADMM CCc1cccc(O)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213390702 1119386841 /nfs/dbraw/zinc/38/68/41/1119386841.db2.gz PNVSNTQENQLKII-UHFFFAOYSA-N -1 1 265.259 3.682 20 0 CHADMM CCC(CC)CN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000047910601 1119407643 /nfs/dbraw/zinc/40/76/43/1119407643.db2.gz KYFCQDAGJDYAHK-UHFFFAOYSA-N -1 1 283.799 3.944 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC2(CCCC2)CC1 ZINC000617563334 1128850792 /nfs/dbraw/zinc/85/07/92/1128850792.db2.gz OLYLAOFAUHEAKK-UHFFFAOYSA-N -1 1 291.366 3.718 20 0 CHADMM Cc1nn(C)c2cc(Nc3cc(F)c([O-])cc3F)ccc12 ZINC001213762172 1119518461 /nfs/dbraw/zinc/51/84/61/1119518461.db2.gz AAOHLGNKXLPJHK-UHFFFAOYSA-N -1 1 289.285 3.609 20 0 CHADMM O=C(Nc1ccc(C2CC2)cc1)c1c(F)ccc([O-])c1F ZINC000685459123 1119610080 /nfs/dbraw/zinc/61/00/80/1119610080.db2.gz QIPSWSMXFBTKBU-UHFFFAOYSA-N -1 1 289.281 3.800 20 0 CHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C12CC(C1)C2 ZINC000628233497 1119659025 /nfs/dbraw/zinc/65/90/25/1119659025.db2.gz GPDMKYSIBVPVDZ-UHFFFAOYSA-N -1 1 287.746 3.937 20 0 CHADMM Cc1csc([C@H](C)NCc2cccc([O-])c2Cl)n1 ZINC000336897729 1129234346 /nfs/dbraw/zinc/23/43/46/1129234346.db2.gz PLTGZDCBZNBMTR-VIFPVBQESA-N -1 1 282.796 3.661 20 0 CHADMM Cc1ccncc1NCc1c([O-])ccc(Cl)c1F ZINC000191556189 1119735423 /nfs/dbraw/zinc/73/54/23/1119735423.db2.gz XQPOKGSEFKNDFL-UHFFFAOYSA-N -1 1 266.703 3.500 20 0 CHADMM Nc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1F ZINC001212340013 1128868580 /nfs/dbraw/zinc/86/85/80/1128868580.db2.gz WZLYOBOCLGJBOL-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(C2CCC2)CC1 ZINC000617773812 1128869666 /nfs/dbraw/zinc/86/96/66/1128869666.db2.gz BJJPPVQZSBXOIB-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCC2(CC2)C1 ZINC000612759223 1119821436 /nfs/dbraw/zinc/82/14/36/1119821436.db2.gz GICWRSROIOCHCC-JTQLQIEISA-N -1 1 279.767 3.955 20 0 CHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000181080970 1120101579 /nfs/dbraw/zinc/10/15/79/1120101579.db2.gz YAQGNZWILLQFKJ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cc2ccccc2o1 ZINC000181061513 1120101641 /nfs/dbraw/zinc/10/16/41/1120101641.db2.gz UTJFUODSSUZVOT-SNVBAGLBSA-N -1 1 299.301 3.769 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000181091911 1120102684 /nfs/dbraw/zinc/10/26/84/1120102684.db2.gz KVAQGILWWFBABZ-MRXNPFEDSA-N -1 1 285.318 3.509 20 0 CHADMM CCCCC[C@@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000659803067 1120113281 /nfs/dbraw/zinc/11/32/81/1120113281.db2.gz AXZSWWDWVVCWEM-GFCCVEGCSA-N -1 1 296.436 3.776 20 0 CHADMM N#CC(=C([O-])C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001326 1128897397 /nfs/dbraw/zinc/89/73/97/1128897397.db2.gz WAAGTQCVTVFLNL-AUECHBEKSA-N -1 1 299.333 3.519 20 0 CHADMM Cc1c(=O)[n-]c(SC[C@@H]2C[C@H]2C)nc1-c1ccccc1 ZINC000629174909 1128900214 /nfs/dbraw/zinc/90/02/14/1128900214.db2.gz ZSMZSHNGOCLAJV-MFKMUULPSA-N -1 1 286.400 3.906 20 0 CHADMM CCC1(CC)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000314585032 1120302684 /nfs/dbraw/zinc/30/26/84/1120302684.db2.gz RYHLWLYFVMSPLG-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM CC(=O)Nc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214488366 1120302957 /nfs/dbraw/zinc/30/29/57/1120302957.db2.gz DUCYIJVWEPKQTO-UHFFFAOYSA-N -1 1 294.713 3.887 20 0 CHADMM Nc1ccc(-c2nc(CCC3CCCCC3)no2)c([O-])c1 ZINC000843184175 1120324117 /nfs/dbraw/zinc/32/41/17/1120324117.db2.gz RGSORGMYPIZGBR-UHFFFAOYSA-N -1 1 287.363 3.537 20 0 CHADMM COc1ccc(C(=O)Nc2cccc(Cl)c2C)c([O-])c1 ZINC000019838247 1120528937 /nfs/dbraw/zinc/52/89/37/1120528937.db2.gz LUTXANMGYRUCSW-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000019840050 1120529664 /nfs/dbraw/zinc/52/96/64/1120529664.db2.gz BIBOMTKKSMOVPS-CHWSQXEVSA-N -1 1 283.371 3.664 20 0 CHADMM Cc1ccnc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000019844296 1120531864 /nfs/dbraw/zinc/53/18/64/1120531864.db2.gz MMNCESAMABLVSS-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c(C)c1 ZINC000432198140 1120674470 /nfs/dbraw/zinc/67/44/70/1120674470.db2.gz JYEXJGNITUHRLB-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM O=C(OCC1CCC(F)(F)CC1)c1ccc([O-])cc1F ZINC000837613357 1120751459 /nfs/dbraw/zinc/75/14/59/1120751459.db2.gz UQNUHSBDDWSJCH-UHFFFAOYSA-N -1 1 288.265 3.514 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1Cl ZINC000048652228 1120836600 /nfs/dbraw/zinc/83/66/00/1120836600.db2.gz NGWLRGFAINIEOK-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(C)n1 ZINC000221745084 1120902345 /nfs/dbraw/zinc/90/23/45/1120902345.db2.gz UKZMJUQGNQPYIM-UHFFFAOYSA-N -1 1 292.338 3.810 20 0 CHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1occc1C(=O)[O-] ZINC000062015260 1120919716 /nfs/dbraw/zinc/91/97/16/1120919716.db2.gz XQEILTOTVIEDCR-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM O=C(Nc1ccccc1-c1cccs1)c1cncc([O-])c1 ZINC000111776340 1121100006 /nfs/dbraw/zinc/10/00/06/1121100006.db2.gz AEWQZZQSLFIPKT-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000674275616 1121111255 /nfs/dbraw/zinc/11/12/55/1121111255.db2.gz NNOKVHQEIAFCPE-SECBINFHSA-N -1 1 267.756 3.810 20 0 CHADMM CCOc1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001175050671 1121160290 /nfs/dbraw/zinc/16/02/90/1121160290.db2.gz XJGPXPBNGGMHHB-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CCOc1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001175052963 1121162412 /nfs/dbraw/zinc/16/24/12/1121162412.db2.gz QLLMUONUNSMSNW-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM O=C1CCc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175100013 1121164916 /nfs/dbraw/zinc/16/49/16/1121164916.db2.gz MWCAPYMFUFULTC-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CC[C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000085069770 1121174704 /nfs/dbraw/zinc/17/47/04/1121174704.db2.gz KLMFORLDALDDEU-JQWIXIFHSA-N -1 1 281.783 3.744 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(F)c(F)cc1F ZINC001175085793 1121177610 /nfs/dbraw/zinc/17/76/10/1121177610.db2.gz SUMKVCZINZNVIT-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM Cc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000235906405 1121190785 /nfs/dbraw/zinc/19/07/85/1121190785.db2.gz OVIKMNIVDFCCQK-ZDUSSCGKSA-N -1 1 293.363 3.501 20 0 CHADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000436701871 1121239010 /nfs/dbraw/zinc/23/90/10/1121239010.db2.gz BZIHCXYQAKVLNJ-SJKOYZFVSA-N -1 1 299.345 3.755 20 0 CHADMM CCOc1cc(F)ccc1Nc1c([O-])cc(F)cc1F ZINC001175290885 1121258740 /nfs/dbraw/zinc/25/87/40/1121258740.db2.gz GXSBGJQHAIGRSS-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1c(F)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001212537016 1121263263 /nfs/dbraw/zinc/26/32/63/1121263263.db2.gz QNLSJHNAFFEHRK-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1c(F)cccc1Nc1cc(F)c([O-])cc1F ZINC001212537919 1121264648 /nfs/dbraw/zinc/26/46/48/1121264648.db2.gz QUIRRGQWTRDCDQ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1sccc1Nc1c(F)ccc([O-])c1F ZINC001175265172 1121266866 /nfs/dbraw/zinc/26/68/66/1121266866.db2.gz CWUADZCPTCYNQU-UHFFFAOYSA-N -1 1 269.272 3.678 20 0 CHADMM CC(=O)c1ccc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175270306 1121271093 /nfs/dbraw/zinc/27/10/93/1121271093.db2.gz XFLMOOQMAYKKOX-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CN(C)c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001175346326 1121273778 /nfs/dbraw/zinc/27/37/78/1121273778.db2.gz SWCXLPNUEJKGMM-UHFFFAOYSA-N -1 1 298.173 3.904 20 0 CHADMM CCC[C@H](C)c1cc([N-]c2cnc(OC)s2)on1 ZINC001175386506 1121309676 /nfs/dbraw/zinc/30/96/76/1121309676.db2.gz AFGRVTGITSLERO-QMMMGPOBSA-N -1 1 267.354 3.787 20 0 CHADMM Cc1nc(SCCCCCF)[n-]c(=O)c1C1CC1 ZINC000631023739 1128979048 /nfs/dbraw/zinc/97/90/48/1128979048.db2.gz VTBCKENVYBEERO-UHFFFAOYSA-N -1 1 270.373 3.600 20 0 CHADMM CCCOc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001175600713 1121381686 /nfs/dbraw/zinc/38/16/86/1121381686.db2.gz LRNOSSBGPFDPBC-UHFFFAOYSA-N -1 1 278.739 3.973 20 0 CHADMM CC1(C)CCC(C(=O)Nc2c([O-])cccc2F)CC1 ZINC000676151343 1121409571 /nfs/dbraw/zinc/40/95/71/1121409571.db2.gz LETJVZRDXJJTEW-UHFFFAOYSA-N -1 1 265.328 3.686 20 0 CHADMM COc1cc(Nc2ccc3n[nH]c(C)c3c2)ccc1[S-] ZINC001175703267 1121433732 /nfs/dbraw/zinc/43/37/32/1121433732.db2.gz ZNHRVYISIRECKT-UHFFFAOYSA-N -1 1 285.372 3.912 20 0 CHADMM COc1cc(F)c(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001175722686 1121438878 /nfs/dbraw/zinc/43/88/78/1121438878.db2.gz YRXFFXCISFIGCQ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cnn(-c2ccccc2)c1 ZINC001175792151 1121466681 /nfs/dbraw/zinc/46/66/81/1121466681.db2.gz GWXLOHLEHZSHQA-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM CCCn1nc(C)cc1Nc1cc([O-])c(Cl)cc1F ZINC001175804180 1121472703 /nfs/dbraw/zinc/47/27/03/1121472703.db2.gz TUUIAKZYAYWJLR-UHFFFAOYSA-N -1 1 283.734 3.843 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnn(C2CC2)c1 ZINC001175961487 1121504848 /nfs/dbraw/zinc/50/48/48/1121504848.db2.gz GQTYTXZNTMVGIJ-UHFFFAOYSA-N -1 1 284.146 3.974 20 0 CHADMM C[C@H]1C[N@H+](Cc2sc(=O)[nH]c2Cl)Cc2ccccc21 ZINC001237159593 1128991876 /nfs/dbraw/zinc/99/18/76/1128991876.db2.gz CUXOMTGICJUSQN-VIFPVBQESA-N -1 1 294.807 3.621 20 0 CHADMM O=c1ccc(Nc2c(Cl)ccc([O-])c2Cl)c[nH]1 ZINC001176131956 1121546975 /nfs/dbraw/zinc/54/69/75/1121546975.db2.gz LFIJCYPHMUVZJR-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM Cc1ccc2ccc(F)c([N-]c3noc4cccnc34)c2n1 ZINC001176113728 1121555346 /nfs/dbraw/zinc/55/53/46/1121555346.db2.gz MWXOBOMPQUCTCT-UHFFFAOYSA-N -1 1 294.289 3.962 20 0 CHADMM COC(=O)c1cc(Cl)sc1[N-]c1c(C)noc1C ZINC001176178774 1121564641 /nfs/dbraw/zinc/56/46/41/1121564641.db2.gz YGNMDPDYZMYREU-UHFFFAOYSA-N -1 1 286.740 3.537 20 0 CHADMM O=C1CCc2cc(Nc3cc([O-])c(F)cc3F)ccc21 ZINC001176234102 1121582727 /nfs/dbraw/zinc/58/27/27/1121582727.db2.gz SRWGTURWEFLRGS-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM O=C(OCc1cc2ccccc2o1)c1ccc([O-])cc1F ZINC000773563745 1121593682 /nfs/dbraw/zinc/59/36/82/1121593682.db2.gz DKNNAHWQAJIBSK-UHFFFAOYSA-N -1 1 286.258 3.635 20 0 CHADMM [O-]c1cc(Cl)c(Nc2ccc3nonc3c2)cc1Cl ZINC001176325582 1121596377 /nfs/dbraw/zinc/59/63/77/1121596377.db2.gz GBCWYESAOLTLON-UHFFFAOYSA-N -1 1 296.113 3.979 20 0 CHADMM O=C(OCc1c(F)cccc1Cl)c1ccc([O-])cc1F ZINC000773567262 1121605489 /nfs/dbraw/zinc/60/54/89/1121605489.db2.gz IMUGSGDHALFXSC-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM O=C(OCc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000773571575 1121614199 /nfs/dbraw/zinc/61/41/99/1121614199.db2.gz XEIAYLCAACUPDQ-UHFFFAOYSA-N -1 1 280.682 3.542 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3ocnc3c2)c1F ZINC001176670226 1121671280 /nfs/dbraw/zinc/67/12/80/1121671280.db2.gz VDGZHZNISNXABX-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2COC3)c1F ZINC001176670787 1121671444 /nfs/dbraw/zinc/67/14/44/1121671444.db2.gz KUFCHKSUGBFZFU-UHFFFAOYSA-N -1 1 281.233 3.583 20 0 CHADMM CCc1nccc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176669146 1121671513 /nfs/dbraw/zinc/67/15/13/1121671513.db2.gz DXPSMCMAFCZXQI-UHFFFAOYSA-N -1 1 282.265 3.819 20 0 CHADMM Cc1cc(Cl)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664143 1121671850 /nfs/dbraw/zinc/67/18/50/1121671850.db2.gz UECRVCQZHOMYOD-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1O ZINC001176669867 1121672048 /nfs/dbraw/zinc/67/20/48/1121672048.db2.gz NICBAEBDWXTBFU-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM Cc1cn2cccc(Nc3c(F)cc(F)c([O-])c3F)c2n1 ZINC001176663227 1121678720 /nfs/dbraw/zinc/67/87/20/1121678720.db2.gz DAZMUQUSVFDKKT-UHFFFAOYSA-N -1 1 293.248 3.509 20 0 CHADMM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993665 1121706165 /nfs/dbraw/zinc/70/61/65/1121706165.db2.gz IVZCDKAYLQUPPA-QWHCGFSZSA-N -1 1 295.810 3.878 20 0 CHADMM O=C([N-][C@@H](c1ccccc1)C1CCCC1)C(F)(F)F ZINC000729326173 1121776815 /nfs/dbraw/zinc/77/68/15/1121776815.db2.gz JMBYOMMCZZGBMB-LBPRGKRZSA-N -1 1 271.282 3.596 20 0 CHADMM CC1(C)CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000149995697 1121864436 /nfs/dbraw/zinc/86/44/36/1121864436.db2.gz DHVJYBQUDQLOFJ-NSHDSACASA-N -1 1 281.783 3.744 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)c([O-])c1 ZINC000731604817 1121876328 /nfs/dbraw/zinc/87/63/28/1121876328.db2.gz MYTPEAMDIQNJGW-UHFFFAOYSA-N -1 1 298.386 3.834 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCC[C@H](F)C1 ZINC001119996408 1121937903 /nfs/dbraw/zinc/93/79/03/1121937903.db2.gz YMYTYGMFNIPSLN-YUMQZZPRSA-N -1 1 289.709 3.652 20 0 CHADMM CCC1(C(=O)Nc2nc(Cl)ccc2[O-])CCCCC1 ZINC001183217375 1122211775 /nfs/dbraw/zinc/21/17/75/1122211775.db2.gz BGHGNMGEOFAPAI-UHFFFAOYSA-N -1 1 282.771 3.740 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1coc2ccccc12 ZINC001203147099 1122310060 /nfs/dbraw/zinc/31/00/60/1122310060.db2.gz ZXAREFRLJYKMRO-UHFFFAOYSA-N -1 1 293.278 3.988 20 0 CHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cccc([O-])c1Cl ZINC001185098255 1122316017 /nfs/dbraw/zinc/31/60/17/1122316017.db2.gz UTYDBZUBNVQIDM-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1nc(Cc2c(Cl)ccc([O-])c2F)cs1 ZINC001250198426 1122354420 /nfs/dbraw/zinc/35/44/20/1122354420.db2.gz OAGHHXNETQAOND-UHFFFAOYSA-N -1 1 257.717 3.540 20 0 CHADMM O=C(NCc1cccc(F)c1)Nc1cccc([O-])c1Cl ZINC001185825232 1122361809 /nfs/dbraw/zinc/36/18/09/1122361809.db2.gz GWIOOTTZQSXQDH-UHFFFAOYSA-N -1 1 294.713 3.506 20 0 CHADMM C=Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836515 1122362162 /nfs/dbraw/zinc/36/21/62/1122362162.db2.gz OUJPJJLRSYYWFE-UHFFFAOYSA-N -1 1 291.347 3.578 20 0 CHADMM CC(=O)c1ccncc1Nc1c(F)ccc([O-])c1Cl ZINC001250228434 1122375633 /nfs/dbraw/zinc/37/56/33/1122375633.db2.gz AXIKLWSUCKWCHR-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM [O-]c1ccc(F)c(Nc2ccc(O)c(F)c2)c1Cl ZINC001250233523 1122378870 /nfs/dbraw/zinc/37/88/70/1122378870.db2.gz QJRXXATWAVSTHO-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cc1cc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2[nH]1 ZINC001186236677 1122380350 /nfs/dbraw/zinc/38/03/50/1122380350.db2.gz LBGJYTIRKJUIQM-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM O=C(Nc1cc2ccccc2cc1O)c1ccc([O-])c(F)c1 ZINC001186226965 1122380440 /nfs/dbraw/zinc/38/04/40/1122380440.db2.gz WKMAOPVIKTYADE-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM Cc1[nH]c2c(cccc2NC(=O)c2ccc([O-])cc2F)c1C ZINC001186329794 1122386117 /nfs/dbraw/zinc/38/61/17/1122386117.db2.gz WBFJOJJVQQIKPG-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM [O-]c1ccc(CNc2nc3ccc(F)cc3o2)cc1Cl ZINC001187509896 1122428786 /nfs/dbraw/zinc/42/87/86/1122428786.db2.gz NSILLQNUNHLNGT-UHFFFAOYSA-N -1 1 292.697 3.938 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001187641130 1122435640 /nfs/dbraw/zinc/43/56/40/1122435640.db2.gz JSLLXCRTBZKDGI-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM O=S(=O)([N-]c1cc(-c2ccccc2)cs1)C1CCC1 ZINC001188105266 1122452659 /nfs/dbraw/zinc/45/26/59/1122452659.db2.gz SRGFXAVEKQVDRN-UHFFFAOYSA-N -1 1 293.413 3.709 20 0 CHADMM CSc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001188109397 1122454731 /nfs/dbraw/zinc/45/47/31/1122454731.db2.gz BBHMGJCSTVZIOL-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM O=C(Nc1ccsc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188563947 1122466709 /nfs/dbraw/zinc/46/67/09/1122466709.db2.gz PLGCFXUZTOLOPW-UHFFFAOYSA-N -1 1 287.262 3.725 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001189052044 1122487147 /nfs/dbraw/zinc/48/71/47/1122487147.db2.gz VGDAZWZHNONRJA-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM C[C@H]1CC(NC(=O)c2cc(Cl)ccc2[O-])C[C@H](C)C1 ZINC000084978908 1122529053 /nfs/dbraw/zinc/52/90/53/1122529053.db2.gz TVFVPSUOFBRHRD-NXEZZACHSA-N -1 1 281.783 3.600 20 0 CHADMM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436567017 1122561880 /nfs/dbraw/zinc/56/18/80/1122561880.db2.gz WLXMWJXPABFAFF-AWEZNQCLSA-N -1 1 293.382 3.962 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCCC[C@@H]1C ZINC000436570210 1122562293 /nfs/dbraw/zinc/56/22/93/1122562293.db2.gz NTSGTBJPTQTWLW-FZMZJTMJSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1nc(C)c(NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000436588538 1122563991 /nfs/dbraw/zinc/56/39/91/1122563991.db2.gz NJZUWZJRCGSURI-UHFFFAOYSA-N -1 1 298.367 3.871 20 0 CHADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc(F)ccc1[O-] ZINC000436615562 1122567042 /nfs/dbraw/zinc/56/70/42/1122567042.db2.gz GAPDTLMKABRTCW-UHFFFAOYSA-N -1 1 296.301 3.779 20 0 CHADMM CC[C@H](C)Oc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436676878 1122572025 /nfs/dbraw/zinc/57/20/25/1122572025.db2.gz AFZAMHQZRDNLJU-LBPRGKRZSA-N -1 1 285.343 3.822 20 0 CHADMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000436703381 1122574139 /nfs/dbraw/zinc/57/41/39/1122574139.db2.gz GUBTUBSDNRYRIB-DZGCQCFKSA-N -1 1 299.345 3.597 20 0 CHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([O-])cc1F ZINC000436783834 1122583385 /nfs/dbraw/zinc/58/33/85/1122583385.db2.gz UQQIIKOGNIROJP-UHFFFAOYSA-N -1 1 289.281 3.800 20 0 CHADMM COc1ccc(C(=O)N(C)c2ccccc2C(C)C)c([O-])c1 ZINC000436852570 1122588989 /nfs/dbraw/zinc/58/89/89/1122588989.db2.gz APQVPBWNHZAMFD-UHFFFAOYSA-N -1 1 299.370 3.801 20 0 CHADMM CCCC[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876914 1122590042 /nfs/dbraw/zinc/59/00/42/1122590042.db2.gz CJGCRUDJAYSHFY-VIFPVBQESA-N -1 1 264.300 3.875 20 0 CHADMM CC[C@@H](C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436879013 1122590960 /nfs/dbraw/zinc/59/09/60/1122590960.db2.gz LWZBMSUZSARMHK-SECBINFHSA-N -1 1 264.300 3.560 20 0 CHADMM [O-]c1ccc(-c2noc(C3=CCCCCC3)n2)cc1F ZINC000436877775 1122591463 /nfs/dbraw/zinc/59/14/63/1122591463.db2.gz HPFFXYPYJZPJOW-UHFFFAOYSA-N -1 1 274.295 3.929 20 0 CHADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3[O-])cc2O1 ZINC000436911560 1122593915 /nfs/dbraw/zinc/59/39/15/1122593915.db2.gz SZPWSZWVVRDBQD-KRWDZBQOSA-N -1 1 299.326 3.542 20 0 CHADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436919233 1122594408 /nfs/dbraw/zinc/59/44/08/1122594408.db2.gz MXCSLEPQDMJCES-NSHDSACASA-N -1 1 295.810 3.944 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001191419876 1122598521 /nfs/dbraw/zinc/59/85/21/1122598521.db2.gz HHUKTJSQJHBMOA-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cc(NC(=O)Nc2cccc(F)c2[O-])ccc1F ZINC001192391740 1122644802 /nfs/dbraw/zinc/64/48/02/1122644802.db2.gz LYOAIPFYARWQTJ-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1ccccc1C(F)F)c1c(F)ccc([O-])c1F ZINC001192541007 1122652330 /nfs/dbraw/zinc/65/23/30/1122652330.db2.gz SMZSYPXGBNGOSE-UHFFFAOYSA-N -1 1 299.223 3.860 20 0 CHADMM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(F)c2F)CC(C)(C)C1 ZINC001192679491 1122654681 /nfs/dbraw/zinc/65/46/81/1122654681.db2.gz VPZYEYRGTQARID-NXEZZACHSA-N -1 1 297.345 3.615 20 0 CHADMM CC(C)CCC[C@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192678421 1122654804 /nfs/dbraw/zinc/65/48/04/1122654804.db2.gz AMIULGFJEQXWBF-JTQLQIEISA-N -1 1 285.334 3.615 20 0 CHADMM C=Cc1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192665610 1122655833 /nfs/dbraw/zinc/65/58/33/1122655833.db2.gz QCVKDLJMFCZXAE-UHFFFAOYSA-N -1 1 275.254 3.566 20 0 CHADMM O=C(Nc1c([O-])cccc1Cl)OC1CCCC1 ZINC001193562868 1122697987 /nfs/dbraw/zinc/69/79/87/1122697987.db2.gz OZTKHVMFWDUPPV-UHFFFAOYSA-N -1 1 255.701 3.537 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)OC1CCCCC1 ZINC001193629392 1122702492 /nfs/dbraw/zinc/70/24/92/1122702492.db2.gz KSCNWINBYYWCPB-UHFFFAOYSA-N -1 1 271.263 3.552 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1C2CCCC1CCC2 ZINC000607867966 1122710071 /nfs/dbraw/zinc/71/00/71/1122710071.db2.gz JQHPEJSRPLGANE-UHFFFAOYSA-N -1 1 279.767 3.593 20 0 CHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC[C@@H]1C ZINC000153763766 1129076583 /nfs/dbraw/zinc/07/65/83/1129076583.db2.gz HSWBGNCYCUKVSM-STQMWFEESA-N -1 1 283.371 3.664 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Oc1ccc(F)cc1 ZINC001195036267 1122833836 /nfs/dbraw/zinc/83/38/36/1122833836.db2.gz LNNWPRIHCCZOQA-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM CSc1ccc([O-])c(-c2nc([C@@H]3CCCS3)no2)c1 ZINC000664800402 1122841083 /nfs/dbraw/zinc/84/10/83/1122841083.db2.gz SFUJWDCDFBVWNG-NSHDSACASA-N -1 1 294.401 3.732 20 0 CHADMM Cc1ccc2cccc(NC(=O)c3cc(F)ccc3[O-])c2n1 ZINC000388767715 1122848729 /nfs/dbraw/zinc/84/87/29/1122848729.db2.gz FOILZUMKTNUKMK-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CSc1ccc([O-])c(-c2nc([C@H](C)C3CC3)no2)c1 ZINC000664814947 1122858525 /nfs/dbraw/zinc/85/85/25/1122858525.db2.gz USJHVSCTPBLZED-MRVPVSSYSA-N -1 1 276.361 3.678 20 0 CHADMM O=C([O-])C[C@@H](NCc1ccccc1Cl)c1ccsc1 ZINC000426694591 1122908826 /nfs/dbraw/zinc/90/88/26/1122908826.db2.gz DLXJDGOPXBSGSA-CYBMUJFWSA-N -1 1 295.791 3.707 20 0 CHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000426754753 1122913703 /nfs/dbraw/zinc/91/37/03/1122913703.db2.gz SUAXRNVMSUYBHD-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2coc3ccccc23)o1 ZINC000426792573 1122915747 /nfs/dbraw/zinc/91/57/47/1122915747.db2.gz MXIFGDDXPTZXSZ-AWEZNQCLSA-N -1 1 299.326 3.640 20 0 CHADMM CN(Cc1ccc(F)c(F)c1)Cc1cccc([O-])c1Cl ZINC000507189136 1122935192 /nfs/dbraw/zinc/93/51/92/1122935192.db2.gz TVFHPRGGGHCSPL-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM C[C@@H](C1CC1)N(C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000633845004 1129091837 /nfs/dbraw/zinc/09/18/37/1129091837.db2.gz IMGPJQXNONGBBA-LBPRGKRZSA-N -1 1 297.354 3.543 20 0 CHADMM O=C(Nc1ccc(F)cc1)Nc1cccc([O-])c1Cl ZINC001202354363 1123200844 /nfs/dbraw/zinc/20/08/44/1123200844.db2.gz HJVDWJKWBBJKOX-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1ccc(NC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001202430399 1123210891 /nfs/dbraw/zinc/21/08/91/1123210891.db2.gz SCQCFPHTZBUWHU-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM CCc1c(C)[n-]n(-c2nc3ccc(Cl)cc3s2)c1=O ZINC000634595803 1129119821 /nfs/dbraw/zinc/11/98/21/1129119821.db2.gz NFDFAODLQBIIAL-VIFPVBQESA-N -1 1 293.779 3.698 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccc(SC)cc2)c1=O ZINC000634594113 1129119945 /nfs/dbraw/zinc/11/99/45/1129119945.db2.gz LLYRWUZKEVAUAV-CYBMUJFWSA-N -1 1 262.378 3.547 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1Cl)CCCC2 ZINC000634623850 1129121714 /nfs/dbraw/zinc/12/17/14/1129121714.db2.gz QABYNRUJVHIHFD-SNVBAGLBSA-N -1 1 297.185 3.882 20 0 CHADMM O=c1c2c([n-]n1[C@@H]1CCc3c1cccc3F)CCCCC2 ZINC000634632167 1129122236 /nfs/dbraw/zinc/12/22/36/1129122236.db2.gz LATNLNURQVLXKF-XJKSGUPXSA-N -1 1 286.350 3.592 20 0 CHADMM Cc1cccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])c1 ZINC000042354552 1123785311 /nfs/dbraw/zinc/78/53/11/1123785311.db2.gz HVXNVRDNPKQYNX-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM COc1c(Nc2c([O-])cc(F)cc2F)ccc(F)c1F ZINC001211895242 1123833197 /nfs/dbraw/zinc/83/31/97/1123833197.db2.gz SKTFGEPJFXEWEP-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c([O-])cc1F)c1ccccc1 ZINC001202511091 1123901814 /nfs/dbraw/zinc/90/18/14/1123901814.db2.gz XZPZABACKNRUHJ-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM CC[C@@H](CC(C)C)C(=O)Nc1c([O-])cccc1F ZINC000665783954 1124010201 /nfs/dbraw/zinc/01/02/01/1124010201.db2.gz KRDDYYZLKGEAGM-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM CC(C)(C)/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457388 1124085452 /nfs/dbraw/zinc/08/54/52/1124085452.db2.gz NACHZVSDRZQQLF-VOTSOKGWSA-N -1 1 262.284 3.641 20 0 CHADMM CCC1(c2noc(-c3cc(F)ccc3[O-])n2)CCCC1 ZINC000445791412 1124100335 /nfs/dbraw/zinc/10/03/35/1124100335.db2.gz VFUDCLQSNXYVOD-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM CC(C)(C)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000447130356 1124134619 /nfs/dbraw/zinc/13/46/19/1124134619.db2.gz VLEQBDVOQGZQPE-UHFFFAOYSA-N -1 1 284.384 3.949 20 0 CHADMM Cc1ccc(-c2nnc(-c3ccc(F)c([O-])c3)o2)cc1 ZINC001252685647 1124492958 /nfs/dbraw/zinc/49/29/58/1124492958.db2.gz DTYCPTSRFGGWJR-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1cc(-c2nc3ccc(C)c(C)c3c(=O)[n-]2)c(C)o1 ZINC000871600886 1124619757 /nfs/dbraw/zinc/61/97/57/1124619757.db2.gz FUVBTGJLAHTYSR-UHFFFAOYSA-N -1 1 268.316 3.829 20 0 CHADMM Cc1ccc(-c2cccc(C=C3SC(=O)[N-]C3=O)c2)cc1 ZINC000874929295 1124871140 /nfs/dbraw/zinc/87/11/40/1124871140.db2.gz YKFLSEIWAGHXRK-GDNBJRDFSA-N -1 1 295.363 3.986 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2ccc(C3CCCC3)cc2)S1 ZINC000874928779 1124871340 /nfs/dbraw/zinc/87/13/40/1124871340.db2.gz SIQZXXKUQBXRHD-UKTHLTGXSA-N -1 1 273.357 3.668 20 0 CHADMM CC[C@H](C)CN(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394591 1124944085 /nfs/dbraw/zinc/94/40/85/1124944085.db2.gz YIHMPYMPWASWTC-NSHDSACASA-N -1 1 298.814 3.623 20 0 CHADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@H](C)C(C)C ZINC000876394661 1124944428 /nfs/dbraw/zinc/94/44/28/1124944428.db2.gz LZAMNJJGHIMYFO-LLVKDONJSA-N -1 1 298.814 3.622 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC[C@H]1C1CC1 ZINC000530006493 1125109775 /nfs/dbraw/zinc/10/97/75/1125109775.db2.gz UBRUOSRNRZFHGN-NWDGAFQWSA-N -1 1 277.339 3.686 20 0 CHADMM CCC1(C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC001136499765 1131345579 /nfs/dbraw/zinc/34/55/79/1131345579.db2.gz NQOTXXJKGANOJN-UHFFFAOYSA-N -1 1 295.810 3.627 20 0 CHADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000666170762 1125305737 /nfs/dbraw/zinc/30/57/37/1125305737.db2.gz ZOKRBHSESZJSAA-OCCSQVGLSA-N -1 1 298.386 3.591 20 0 CHADMM CO[C@H]1CC=C(Nc2cc([O-])c(Cl)cc2F)CC1 ZINC001212879432 1129304797 /nfs/dbraw/zinc/30/47/97/1129304797.db2.gz AGMARTAJYNFRGO-VIFPVBQESA-N -1 1 271.719 3.679 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3ccsc3)nn2)cc1F ZINC001240786408 1129352703 /nfs/dbraw/zinc/35/27/03/1129352703.db2.gz QZQOEUAPGLOYMF-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM Cc1cccc2ncc(-c3c(F)ccc([O-])c3F)nc12 ZINC001241290668 1129508138 /nfs/dbraw/zinc/50/81/38/1129508138.db2.gz AICMYHPYHWJQOQ-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CCCc1cc(=O)[n-]c(SC/C(Cl)=C\Cl)n1 ZINC000746143422 1129627535 /nfs/dbraw/zinc/62/75/35/1129627535.db2.gz LANDFYHLZXKCMH-FNORWQNLSA-N -1 1 279.192 3.546 20 0 CHADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940627 1129629978 /nfs/dbraw/zinc/62/99/78/1129629978.db2.gz SWXNSBRUDBYHLL-QWRGUYRKSA-N -1 1 265.328 3.686 20 0 CHADMM CCc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)c([O-])c1 ZINC000804321839 1129726765 /nfs/dbraw/zinc/72/67/65/1129726765.db2.gz KEMZLCUYXHKUBN-UHFFFAOYSA-N -1 1 295.382 3.774 20 0 CHADMM Nc1cc2c(cnn2-c2ccc(Cl)c([O-])c2)c(Cl)c1 ZINC001212593752 1129749746 /nfs/dbraw/zinc/74/97/46/1129749746.db2.gz IOKARGLFBAABPR-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM O=c1cc(C2CC2)nc(SCc2ccc(CF)cc2)[n-]1 ZINC000767088360 1129776935 /nfs/dbraw/zinc/77/69/35/1129776935.db2.gz LFUPMRDHXVILDB-UHFFFAOYSA-N -1 1 290.363 3.821 20 0 CHADMM COc1cc(F)c(F)cc1-c1cccc(Cl)c1[O-] ZINC001242364483 1129796282 /nfs/dbraw/zinc/79/62/82/1129796282.db2.gz KIWPVLVNXSBXHX-UHFFFAOYSA-N -1 1 270.662 3.999 20 0 CHADMM CCCCN(C(=O)c1ccc([O-])c(F)c1)[C@@H](C)CC ZINC000768032339 1129825464 /nfs/dbraw/zinc/82/54/64/1129825464.db2.gz BKZXXAXDWXMVEJ-NSHDSACASA-N -1 1 267.344 3.572 20 0 CHADMM CCc1ccc(N(CC)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000769684504 1129919537 /nfs/dbraw/zinc/91/95/37/1129919537.db2.gz NBBAHFPZOVWORA-UHFFFAOYSA-N -1 1 287.334 3.760 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]1c1ccccc1 ZINC000769687825 1129920309 /nfs/dbraw/zinc/92/03/09/1129920309.db2.gz BJXNMRJZEQUKOI-ZDUSSCGKSA-N -1 1 287.746 3.633 20 0 CHADMM CC[C@@](NCc1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000901653984 1129941386 /nfs/dbraw/zinc/94/13/86/1129941386.db2.gz WDDZJMLIMUPSPH-INIZCTEOSA-N -1 1 289.400 3.536 20 0 CHADMM O=C(/C=C/c1ccc(Cl)s1)Nc1c([O-])cccc1F ZINC000770862467 1129959900 /nfs/dbraw/zinc/95/99/00/1129959900.db2.gz PFJVWQPZAXQFNK-FNORWQNLSA-N -1 1 297.738 3.898 20 0 CHADMM Cc1ccc([C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000771211870 1129975145 /nfs/dbraw/zinc/97/51/45/1129975145.db2.gz OXTVZYARTIFGOQ-SECBINFHSA-N -1 1 288.278 3.635 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(F)F)cc1 ZINC000902283404 1129996506 /nfs/dbraw/zinc/99/65/06/1129996506.db2.gz DBCVJGOTHOFWLW-UHFFFAOYSA-N -1 1 295.285 3.514 20 0 CHADMM Cc1cc(CNC(C)(C)c2cccc(C)c2)oc1C(=O)[O-] ZINC000902286254 1129996732 /nfs/dbraw/zinc/99/67/32/1129996732.db2.gz LSYFFLSNYQLPPV-UHFFFAOYSA-N -1 1 287.359 3.620 20 0 CHADMM CC(C)[C@@H]1C[C@H](NCc2cc(C(=O)[O-])co2)c2ccccc21 ZINC000902462137 1130013763 /nfs/dbraw/zinc/01/37/63/1130013763.db2.gz CODXEHFHLDZDJZ-IRXDYDNUSA-N -1 1 299.370 3.952 20 0 CHADMM Cc1ccc(Cl)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050745 1130288046 /nfs/dbraw/zinc/28/80/46/1130288046.db2.gz IDEPFZRBOAJXFF-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM O=C([N-]c1ccccc1SC1CCCC1)c1cnco1 ZINC000677515638 1130315044 /nfs/dbraw/zinc/31/50/44/1130315044.db2.gz YLKCSJXPBOIPTK-UHFFFAOYSA-N -1 1 288.372 3.962 20 0 CHADMM CCSCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000791433352 1130372956 /nfs/dbraw/zinc/37/29/56/1130372956.db2.gz VFQIJYNQZPWHNB-UHFFFAOYSA-N -1 1 292.429 3.960 20 0 CHADMM CCOCc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243341531 1130383587 /nfs/dbraw/zinc/38/35/87/1130383587.db2.gz SGFHJAKKYAPNKL-UHFFFAOYSA-N -1 1 264.271 3.874 20 0 CHADMM [O-]c1ccc(-c2cccc(N3CCCC3)c2)c(F)c1F ZINC001243343158 1130386882 /nfs/dbraw/zinc/38/68/82/1130386882.db2.gz XXHMMBBQQCZNOC-UHFFFAOYSA-N -1 1 275.298 3.938 20 0 CHADMM CSc1nc2sccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240694098 1130421458 /nfs/dbraw/zinc/42/14/58/1130421458.db2.gz LUNZHTSTPFXVLD-UHFFFAOYSA-N -1 1 292.360 3.925 20 0 CHADMM CCCc1cc(-c2cc(F)ccc2[O-])nc(CCC)n1 ZINC001240695292 1130422389 /nfs/dbraw/zinc/42/23/89/1130422389.db2.gz HATNILMKSUFXEF-UHFFFAOYSA-N -1 1 274.339 3.893 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncccc1C(F)(F)F ZINC001240694849 1130422402 /nfs/dbraw/zinc/42/24/02/1130422402.db2.gz YACPHAPHGIEVKZ-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM CC(C)(C)C(=O)Nc1cccnc1-c1cc(F)ccc1[O-] ZINC001240696955 1130423729 /nfs/dbraw/zinc/42/37/29/1130423729.db2.gz VWOFAICXDCQANE-UHFFFAOYSA-N -1 1 288.322 3.578 20 0 CHADMM CCOC(=O)c1nc2cc(-c3cccc(F)c3C)ccc2[n-]1 ZINC001240732170 1130444743 /nfs/dbraw/zinc/44/47/43/1130444743.db2.gz HDBIBKIMHMQBNP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3cccc(F)c3C)cc2[n-]1 ZINC001240732170 1130444747 /nfs/dbraw/zinc/44/47/47/1130444747.db2.gz HDBIBKIMHMQBNP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM COc1cccc(-c2ccnc(-c3ccc([O-])c(F)c3)n2)c1 ZINC001240781731 1130467436 /nfs/dbraw/zinc/46/74/36/1130467436.db2.gz GTZMBMANDGDAPU-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM Cc1csc2cnc(-c3ccc([O-])c(F)c3)nc12 ZINC001240783487 1130468338 /nfs/dbraw/zinc/46/83/38/1130468338.db2.gz UYLPYIMUXHMMQW-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM [O-]c1ccc(-c2cc3c(nn2)-c2ccccc2OC3)cc1F ZINC001240785687 1130470179 /nfs/dbraw/zinc/47/01/79/1130470179.db2.gz AYSWGWGXABGEEF-UHFFFAOYSA-N -1 1 294.285 3.548 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccc(-c2cnco2)cc1 ZINC001243501734 1130515140 /nfs/dbraw/zinc/51/51/40/1130515140.db2.gz ACIAKAOMGPAKCO-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM CCOC(=O)c1c(F)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243503238 1130516597 /nfs/dbraw/zinc/51/65/97/1130516597.db2.gz DYKUSKDNMJPTKU-UHFFFAOYSA-N -1 1 296.244 3.653 20 0 CHADMM COc1cc(-c2cc(F)cc(F)c2[O-])ccc1C ZINC001243506178 1130518495 /nfs/dbraw/zinc/51/84/95/1130518495.db2.gz ZCKGKYMZISOITR-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM C[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2F)C[C@@H](C)C1 ZINC000679560870 1130540215 /nfs/dbraw/zinc/54/02/15/1130540215.db2.gz ROFUVDICAIOPEW-URLYPYJESA-N -1 1 265.328 3.542 20 0 CHADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccncc1 ZINC000679642694 1130548060 /nfs/dbraw/zinc/54/80/60/1130548060.db2.gz BKQSZAARTRCACT-SNVBAGLBSA-N -1 1 290.750 3.573 20 0 CHADMM Cc1ccc(C(=O)[O-])cc1-c1cc(N2CCCCC2)ccn1 ZINC001241000532 1130558227 /nfs/dbraw/zinc/55/82/27/1130558227.db2.gz OOBVTGHBKKWKLD-UHFFFAOYSA-N -1 1 296.370 3.746 20 0 CHADMM Cc1nc2ccc(-c3cc(C(=O)[O-])ccc3C)cc2[nH]1 ZINC001241000702 1130558597 /nfs/dbraw/zinc/55/85/97/1130558597.db2.gz JHWDCSCGJKLWLU-UHFFFAOYSA-N -1 1 266.300 3.545 20 0 CHADMM CCCCc1nc(C)cc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390759 1130924888 /nfs/dbraw/zinc/92/48/88/1130924888.db2.gz JIFFLXJHGUOVAZ-UHFFFAOYSA-N -1 1 274.339 3.948 20 0 CHADMM CSc1cc(-c2c(F)ccc(C)c2[O-])ncc1F ZINC001236390088 1130925623 /nfs/dbraw/zinc/92/56/23/1130925623.db2.gz CNYRTTULDQRHRS-UHFFFAOYSA-N -1 1 267.300 3.763 20 0 CHADMM Cc1ccc(F)c(-c2nc(C)nc3ccc(F)cc32)c1[O-] ZINC001236390268 1130925689 /nfs/dbraw/zinc/92/56/89/1130925689.db2.gz DZHWQTGNYRNDFK-UHFFFAOYSA-N -1 1 286.281 3.897 20 0 CHADMM Cc1ccc(F)c(-c2cc(C(F)F)ccn2)c1[O-] ZINC001236393284 1130926562 /nfs/dbraw/zinc/92/65/62/1130926562.db2.gz RHUNRYCSHRGWHS-UHFFFAOYSA-N -1 1 253.223 3.839 20 0 CHADMM Cc1ccc(F)c(-c2nc3cnccc3cc2C)c1[O-] ZINC001236394251 1130926658 /nfs/dbraw/zinc/92/66/58/1130926658.db2.gz YWJGQHKQAYCWNO-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM COc1cc(C)c2ncnc(-c3c(F)ccc(C)c3[O-])c2c1 ZINC001236401831 1130928657 /nfs/dbraw/zinc/92/86/57/1130928657.db2.gz FNJRAEHZGDOLHM-UHFFFAOYSA-N -1 1 298.317 3.767 20 0 CHADMM Cc1ccc(F)c(-c2ccc(-c3cccn3C)cn2)c1[O-] ZINC001236402148 1130928734 /nfs/dbraw/zinc/92/87/34/1130928734.db2.gz HOWNLODSNGDDBT-UHFFFAOYSA-N -1 1 282.318 3.907 20 0 CHADMM CN(Cc1ccc(Cl)nc1)Cc1cccc([O-])c1Cl ZINC000816483744 1131098634 /nfs/dbraw/zinc/09/86/34/1131098634.db2.gz COJPCJMGEMDAHJ-UHFFFAOYSA-N -1 1 297.185 3.726 20 0 CHADMM C[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2F)[C@H](C)C1 ZINC001238150898 1131173872 /nfs/dbraw/zinc/17/38/72/1131173872.db2.gz DFDCLZVUHBHTSH-NXEZZACHSA-N -1 1 271.763 3.805 20 0 CHADMM CC[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150454 1131174674 /nfs/dbraw/zinc/17/46/74/1131174674.db2.gz VBWIGZYEOYPCSX-SNVBAGLBSA-N -1 1 271.763 3.807 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc([O-])cc1F ZINC001136019436 1131184130 /nfs/dbraw/zinc/18/41/30/1131184130.db2.gz PKEYDZFASCZKLA-FRRDWIJNSA-N -1 1 291.366 3.620 20 0 CHADMM CCC(CC)(CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136835940 1131459020 /nfs/dbraw/zinc/45/90/20/1131459020.db2.gz LPGLXQBSPROBAX-UHFFFAOYSA-N -1 1 283.799 3.673 20 0 CHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1C1CC1 ZINC001138409539 1131500538 /nfs/dbraw/zinc/50/05/38/1131500538.db2.gz ZXSODKMFJQBRDB-UHFFFAOYSA-N -1 1 285.318 3.969 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001202849717 1131530456 /nfs/dbraw/zinc/53/04/56/1131530456.db2.gz WANNUKPMDGXMRH-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1cccc(CN(C)Cc2c(F)cc([O-])cc2F)c1 ZINC001144542442 1131653352 /nfs/dbraw/zinc/65/33/52/1131653352.db2.gz XWIWLEDKGJAPNL-UHFFFAOYSA-N 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ZINC001211360335 1134412520 /nfs/dbraw/zinc/41/25/20/1134412520.db2.gz RMPYVHNOFRUPTP-UHFFFAOYSA-N -1 1 277.270 3.521 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3c4c(ccnc24)CCO3)cc1F ZINC001211353358 1134412694 /nfs/dbraw/zinc/41/26/94/1134412694.db2.gz VFEYWPJVEVEYKJ-UHFFFAOYSA-N -1 1 299.276 3.821 20 0 CHADMM CCc1ccc(Nc2cc(F)c([O-])c(F)c2)c(O)c1 ZINC001213384464 1134445867 /nfs/dbraw/zinc/44/58/67/1134445867.db2.gz NQGDBGPJPHKMGT-UHFFFAOYSA-N -1 1 265.259 3.682 20 0 CHADMM Nc1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1Cl ZINC001213390682 1134446138 /nfs/dbraw/zinc/44/61/38/1134446138.db2.gz OQWCXVZUTHMHCM-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM COCc1ccc(C)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001213580166 1134465480 /nfs/dbraw/zinc/46/54/80/1134465480.db2.gz AIJHEESZZMDMPZ-UHFFFAOYSA-N -1 1 279.286 3.869 20 0 CHADMM COCOc1ccc(C)cc1Nc1cc(F)c([O-])cc1F ZINC001214245769 1134525716 /nfs/dbraw/zinc/52/57/16/1134525716.db2.gz KETALIOTTAPJMG-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(C)n1 ZINC001214480165 1134541809 /nfs/dbraw/zinc/54/18/09/1134541809.db2.gz MZCNYOWHQDKAOJ-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM CC(=O)c1ncccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484188 1134543857 /nfs/dbraw/zinc/54/38/57/1134543857.db2.gz CSVQAYBYJGUFEV-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM CCOC(=O)c1occc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484166 1134543932 /nfs/dbraw/zinc/54/39/32/1134543932.db2.gz BVEDTLDCOUUJKS-UHFFFAOYSA-N -1 1 299.685 3.698 20 0 CHADMM C[C@H](O)c1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214492095 1134545246 /nfs/dbraw/zinc/54/52/46/1134545246.db2.gz QMWDGORHVKDIDV-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM COc1c(C)ccc(F)c1Nc1ccc(F)c(F)c1[O-] ZINC001214536773 1134547825 /nfs/dbraw/zinc/54/78/25/1134547825.db2.gz PNGAKJGUFUFJDT-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM COc1cccc([O-])c1-c1nc(-c2ccc(C)c(C)c2)no1 ZINC001215322591 1134617837 /nfs/dbraw/zinc/61/78/37/1134617837.db2.gz XHPOGWJRSXRWOY-UHFFFAOYSA-N -1 1 296.326 3.735 20 0 CHADMM CC(=O)c1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001215573686 1134644364 /nfs/dbraw/zinc/64/43/64/1134644364.db2.gz NSOMBCLLMVHFJS-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CP(C)(=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215573449 1134644651 /nfs/dbraw/zinc/64/46/51/1134644651.db2.gz KBPWUGFDEATXJE-UHFFFAOYSA-N -1 1 297.241 3.662 20 0 CHADMM CCc1cccc(O)c1Nc1cc(F)c([O-])cc1F ZINC001215576760 1134646021 /nfs/dbraw/zinc/64/60/21/1134646021.db2.gz HLHBZXPGJQZGEY-UHFFFAOYSA-N -1 1 265.259 3.682 20 0 CHADMM O=c1ccc2cc(Nc3cc(F)c([O-])cc3F)ccc2o1 ZINC001215577117 1134646047 /nfs/dbraw/zinc/64/60/47/1134646047.db2.gz UXUIDOVKAHWSAV-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM Cc1ccc(CCCO)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215576176 1134646084 /nfs/dbraw/zinc/64/60/84/1134646084.db2.gz MLHACZOLHDTSOO-UHFFFAOYSA-N -1 1 293.313 3.647 20 0 CHADMM CCOC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001215574098 1134646113 /nfs/dbraw/zinc/64/61/13/1134646113.db2.gz XAGINAYCURIHDV-UHFFFAOYSA-N -1 1 293.269 3.591 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CHADMM [O-]c1cccc(-c2nc(-c3cc(F)cc(F)c3)no2)c1F ZINC001215984279 1134740789 /nfs/dbraw/zinc/74/07/89/1134740789.db2.gz NSCUHPHODUJXOH-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM Cc1ccc(F)c(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215984442 1134741000 /nfs/dbraw/zinc/74/10/00/1134741000.db2.gz RCVISGSPKQBAAP-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM Cc1cc(F)ccc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215984536 1134741193 /nfs/dbraw/zinc/74/11/93/1134741193.db2.gz UYTUNMRIMRSEMK-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM [O-]c1cccc(-c2nc(-c3ccc4occc4c3)no2)c1F ZINC001215989083 1134743498 /nfs/dbraw/zinc/74/34/98/1134743498.db2.gz PYKSGIBUJLMBMC-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM Fc1ccc([N-]c2nnco2)cc1-c1ccccc1 ZINC001215994698 1134744856 /nfs/dbraw/zinc/74/48/56/1134744856.db2.gz SVRJKMQBDZGPPS-UHFFFAOYSA-N -1 1 255.252 3.619 20 0 CHADMM Cc1cc(C)c(N)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001216102200 1134778546 /nfs/dbraw/zinc/77/85/46/1134778546.db2.gz XARKMPGNZANRLE-UHFFFAOYSA-N -1 1 294.358 3.521 20 0 CHADMM Cc1cc(Nc2c([O-])cc(F)cc2F)cc(C)c1CO ZINC001216119842 1134784352 /nfs/dbraw/zinc/78/43/52/1134784352.db2.gz GOOGAEDZJPLTDF-UHFFFAOYSA-N -1 1 279.286 3.523 20 0 CHADMM CSc1ncc(C)cc1Nc1c([O-])cc(F)cc1F ZINC001216243055 1134822646 /nfs/dbraw/zinc/82/26/46/1134822646.db2.gz YEPNZCXVXMYKAT-UHFFFAOYSA-N -1 1 282.315 3.839 20 0 CHADMM CCOc1cc([N-]c2cc3c(cccc3F)o2)no1 ZINC001216291518 1134837576 /nfs/dbraw/zinc/83/75/76/1134837576.db2.gz LTJMGGVIRCSRBW-UHFFFAOYSA-N -1 1 262.240 3.702 20 0 CHADMM Cc1ccc(F)c(-c2noc(-c3cc([O-])cc(F)c3)n2)c1 ZINC001216336516 1134859189 /nfs/dbraw/zinc/85/91/89/1134859189.db2.gz VBHZGBMJBGLAJE-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM Cc1noc2ccc(Nc3c([O-])cc(F)cc3F)cc12 ZINC001216641793 1134938949 /nfs/dbraw/zinc/93/89/49/1134938949.db2.gz CTHDUVINAOMUBZ-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM [O-]c1ccc(F)c(-c2nc(-c3ccccc3F)no2)c1F ZINC001216922424 1134954507 /nfs/dbraw/zinc/95/45/07/1134954507.db2.gz OGASFEXQDMAFFI-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCc2cccc(C)c21 ZINC001225616279 1135596048 /nfs/dbraw/zinc/59/60/48/1135596048.db2.gz HMEIWSWWJNVBMX-INIZCTEOSA-N -1 1 282.339 3.970 20 0 CHADMM COc1ccccc1[C@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225617692 1135597467 /nfs/dbraw/zinc/59/74/67/1135597467.db2.gz YVVNZJSZOUATIE-LBPRGKRZSA-N -1 1 286.327 3.743 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccc(N(C)C)c1 ZINC001225618934 1135597556 /nfs/dbraw/zinc/59/75/56/1135597556.db2.gz JTKLMVPCDSFCCL-ZDUSSCGKSA-N -1 1 299.370 3.801 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2ccc(C)cc21 ZINC001225674017 1135607273 /nfs/dbraw/zinc/60/72/73/1135607273.db2.gz BEFOAVHEBMZBLS-MRXNPFEDSA-N -1 1 298.338 3.675 20 0 CHADMM CCCC[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486483 1135703124 /nfs/dbraw/zinc/70/31/24/1135703124.db2.gz QOPSBTOTDZNPQX-NSHDSACASA-N -1 1 276.332 3.765 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)CC(C)C)c12 ZINC001226486968 1135703195 /nfs/dbraw/zinc/70/31/95/1135703195.db2.gz SXIPMKWPTNENJM-LLVKDONJSA-N -1 1 276.332 3.620 20 0 CHADMM Cc1nc(=O)[n-]c(O[C@H](C)c2ccccc2Cl)c1Cl ZINC001227116011 1135787506 /nfs/dbraw/zinc/78/75/06/1135787506.db2.gz IPNIBGRSKMTWGZ-MRVPVSSYSA-N -1 1 299.157 3.937 20 0 CHADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)CCCC(C)C ZINC001227172132 1135794906 /nfs/dbraw/zinc/79/49/06/1135794906.db2.gz MAMUZEPIMQVBAV-ZDUSSCGKSA-N -1 1 294.391 3.815 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC[C@H]1C1CC1 ZINC000574085778 334991323 /nfs/dbraw/zinc/99/13/23/334991323.db2.gz AXTWXGKSIYGLIW-QWRGUYRKSA-N -1 1 295.329 3.825 20 0 CHADMM CC(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000336478100 541318720 /nfs/dbraw/zinc/31/87/20/541318720.db2.gz KHDVDZSXQNRLIS-UHFFFAOYSA-N -1 1 295.747 3.562 20 0 CHADMM CCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000007057480 170264965 /nfs/dbraw/zinc/26/49/65/170264965.db2.gz ZNZANQVOTNRPAO-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c([O-])c1 ZINC000021790643 171323672 /nfs/dbraw/zinc/32/36/72/171323672.db2.gz HQRZJLICQZGXSN-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM CC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000035238820 172077079 /nfs/dbraw/zinc/07/70/79/172077079.db2.gz NQGKCSMZBZKTDU-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000354504943 227016920 /nfs/dbraw/zinc/01/69/20/227016920.db2.gz RFMHQHRGTBTSCG-UHFFFAOYSA-N -1 1 294.738 3.718 20 0 CHADMM CC(C)N(Cc1cccnc1)Cc1cccc([O-])c1Cl ZINC000353514635 263107462 /nfs/dbraw/zinc/10/74/62/263107462.db2.gz COCNKBCQIYNWFU-UHFFFAOYSA-N -1 1 290.794 3.851 20 0 CHADMM CCn1c2ccccc2nc1[C@H](C)[N-]c1nc(C(C)C)no1 ZINC000291039971 263119669 /nfs/dbraw/zinc/11/96/69/263119669.db2.gz ZULYHMYZWFVURY-NSHDSACASA-N -1 1 299.378 3.736 20 0 CHADMM CC(C)(C)n1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000122735661 263805014 /nfs/dbraw/zinc/80/50/14/263805014.db2.gz FLIPLCLNLOKXGL-UHFFFAOYSA-N -1 1 299.403 3.900 20 0 CHADMM CSc1cccc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000094090104 265216237 /nfs/dbraw/zinc/21/62/37/265216237.db2.gz ZFFDQZPMERASGO-UHFFFAOYSA-N -1 1 291.347 3.530 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C1CCC1 ZINC000094105864 265221018 /nfs/dbraw/zinc/22/10/18/265221018.db2.gz ZFDCKBTWKZCRMC-QGZVFWFLSA-N -1 1 295.382 3.950 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000094105844 265221057 /nfs/dbraw/zinc/22/10/57/265221057.db2.gz SRKGGYXCKRKXQZ-QGZVFWFLSA-N -1 1 295.382 3.950 20 0 CHADMM Cc1cc(C)nc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000357069773 266242106 /nfs/dbraw/zinc/24/21/06/266242106.db2.gz UFWALVXMWWRUHI-UHFFFAOYSA-N -1 1 285.734 3.668 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000048652266 328314569 /nfs/dbraw/zinc/31/45/69/328314569.db2.gz YOSWTAFLAFVEGF-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1csc2ccccc12 ZINC000532012249 328389141 /nfs/dbraw/zinc/38/91/41/328389141.db2.gz AXOQZMWNNHXNSD-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM O=C(CC/C=C\c1ccccc1)Nc1ccc(F)cc1[O-] ZINC000532012777 328391230 /nfs/dbraw/zinc/39/12/30/328391230.db2.gz GNCPXBBAUFRZMY-YWEYNIOJSA-N -1 1 285.318 3.963 20 0 CHADMM CC(C)Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000109037136 326822326 /nfs/dbraw/zinc/82/23/26/326822326.db2.gz ICUKPAVWLPEPRW-UHFFFAOYSA-N -1 1 268.316 3.794 20 0 CHADMM C[C@H]1C[C@@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000088055505 327011063 /nfs/dbraw/zinc/01/10/63/327011063.db2.gz PRMRAAJLCNNFHZ-ZANVPECISA-N -1 1 266.300 3.719 20 0 CHADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531010511 327214479 /nfs/dbraw/zinc/21/44/79/327214479.db2.gz YJIQPBWQJQJYJN-RYUDHWBXSA-N -1 1 295.404 3.536 20 0 CHADMM CC(C)(C)/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129652079 327432924 /nfs/dbraw/zinc/43/29/24/327432924.db2.gz OHFOBBXAUJESIX-VOTSOKGWSA-N -1 1 253.729 3.586 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N(CC1CC1)CC1CC1 ZINC000114850548 328658559 /nfs/dbraw/zinc/65/85/59/328658559.db2.gz PBBNXTHGGJTAAV-UHFFFAOYSA-N -1 1 295.382 3.808 20 0 CHADMM CCN(Cc1ccc(OC)cc1)Cc1cc(O)cc(F)c1 ZINC000186183277 329338960 /nfs/dbraw/zinc/33/89/60/329338960.db2.gz LBZLLNZNYUYDRR-UHFFFAOYSA-N -1 1 289.350 3.562 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCC(F)(F)C2)n1 ZINC000509088486 332858820 /nfs/dbraw/zinc/85/88/20/332858820.db2.gz CJWJQHZZUVBSAF-SECBINFHSA-N -1 1 288.363 3.662 20 0 CHADMM C[C@H](CC(F)F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000420495040 329769106 /nfs/dbraw/zinc/76/91/06/329769106.db2.gz SRDRQZYREJDVNY-ZCFIWIBFSA-N -1 1 288.681 3.854 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(C3CC3)c2)o1 ZINC000421815532 330085857 /nfs/dbraw/zinc/08/58/57/330085857.db2.gz MXQLEQDNYLMGKU-INIZCTEOSA-N -1 1 299.370 3.771 20 0 CHADMM O=C(NC[C@@H]1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000044569327 330330501 /nfs/dbraw/zinc/33/05/01/330330501.db2.gz JNANNMICRKQSNM-CYBMUJFWSA-N -1 1 281.355 3.632 20 0 CHADMM Cc1ccc(Cl)c(NC(=O)c2ccccc2[O-])c1 ZINC000045165740 330338949 /nfs/dbraw/zinc/33/89/49/330338949.db2.gz ZGIQNMRSUXIUBZ-UHFFFAOYSA-N -1 1 261.708 3.606 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@@H](F)C3)n2)cc1F ZINC000424352807 330345592 /nfs/dbraw/zinc/34/55/92/330345592.db2.gz DUDIFOUEQUQZPE-VHSXEESVSA-N -1 1 280.274 3.577 20 0 CHADMM Cc1cnccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000107038835 330346050 /nfs/dbraw/zinc/34/60/50/330346050.db2.gz VATOVANLVSHYLS-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CC/C=C(/C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449097 330374257 /nfs/dbraw/zinc/37/42/57/330374257.db2.gz NNCUHDOVMSEGLB-YWEYNIOJSA-N -1 1 264.712 3.909 20 0 CHADMM Cc1nscc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449536 330377803 /nfs/dbraw/zinc/37/78/03/330377803.db2.gz VDACHLKGXZSCJD-UHFFFAOYSA-N -1 1 293.735 3.528 20 0 CHADMM O=c1cc(C2CC2)nc(SCc2ccc(F)c(F)c2)[n-]1 ZINC000436252086 330671765 /nfs/dbraw/zinc/67/17/65/330671765.db2.gz KPCATOVDRMSKAX-UHFFFAOYSA-N -1 1 294.326 3.630 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cccc(C)c1C ZINC000436545001 330679662 /nfs/dbraw/zinc/67/96/62/330679662.db2.gz BCHZHUMLKNUEDW-UHFFFAOYSA-N -1 1 287.334 3.815 20 0 CHADMM CC(C)[C@H](C)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000436721343 330683528 /nfs/dbraw/zinc/68/35/28/330683528.db2.gz XQQPFDJTMNKINY-JTQLQIEISA-N -1 1 281.783 3.695 20 0 CHADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccccc1[O-] ZINC000436737279 330683978 /nfs/dbraw/zinc/68/39/78/330683978.db2.gz IGYWJVHSIBUZBX-UHFFFAOYSA-N -1 1 284.359 3.855 20 0 CHADMM CCc1ccc(C(=O)N(C)c2cc(C)cc(C)c2)c([O-])c1 ZINC000436809256 330685579 /nfs/dbraw/zinc/68/55/79/330685579.db2.gz SBRGYFRNZWIGLZ-UHFFFAOYSA-N -1 1 283.371 3.848 20 0 CHADMM O=c1cc(C=Cc2ccc([O-])c(Cl)c2)nc(C2CC2)[nH]1 ZINC000436932039 330688915 /nfs/dbraw/zinc/68/89/15/330688915.db2.gz MDYGDTKBOSKMGU-ORCRQEGFSA-N -1 1 288.734 3.589 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C ZINC000436958759 330689812 /nfs/dbraw/zinc/68/98/12/330689812.db2.gz KGRQBIFXNIRQSF-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442840670 330786250 /nfs/dbraw/zinc/78/62/50/330786250.db2.gz XNJXRMJGVZNOQP-UHFFFAOYSA-N -1 1 287.340 3.542 20 0 CHADMM CCc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)n1 ZINC000445479716 330829495 /nfs/dbraw/zinc/82/94/95/330829495.db2.gz KGVIQTWKJNGHDO-UHFFFAOYSA-N -1 1 299.305 3.514 20 0 CHADMM CCC[C@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478834 330829622 /nfs/dbraw/zinc/82/96/22/330829622.db2.gz SMBGJOUSAIAXPA-VIFPVBQESA-N -1 1 264.300 3.560 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1F ZINC000445485335 330829654 /nfs/dbraw/zinc/82/96/54/330829654.db2.gz ZGPJSOSTIJYJPW-RMKNXTFCSA-N -1 1 282.274 3.752 20 0 CHADMM CC(C)c1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000445482560 330829720 /nfs/dbraw/zinc/82/97/20/330829720.db2.gz QOYZHXODIQZUMQ-UHFFFAOYSA-N -1 1 299.305 3.767 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(F)c1 ZINC000445484284 330829722 /nfs/dbraw/zinc/82/97/22/330829722.db2.gz YQBXYTSIWHWSLM-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)CC=CCC1 ZINC000453185142 331098470 /nfs/dbraw/zinc/09/84/70/331098470.db2.gz XLYYOCRUNGFBBH-OAHLLOKOSA-N -1 1 274.295 3.579 20 0 CHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H](C)C2 ZINC000163817647 331128586 /nfs/dbraw/zinc/12/85/86/331128586.db2.gz VVFXRKMVUIHQJF-DIFFPNOSSA-N -1 1 299.345 3.503 20 0 CHADMM CC(C)(CC(=O)Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC000456776778 331203009 /nfs/dbraw/zinc/20/30/09/331203009.db2.gz FJWBCDSJCADHDX-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456790068 331204158 /nfs/dbraw/zinc/20/41/58/331204158.db2.gz VJSPFWCWGQEVLM-ZCFIWIBFSA-N -1 1 297.223 3.588 20 0 CHADMM C[C@H](CC1CCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456789619 331204190 /nfs/dbraw/zinc/20/41/90/331204190.db2.gz UUPFDWXBUHYXSK-SECBINFHSA-N -1 1 283.318 3.825 20 0 CHADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000457651087 331230181 /nfs/dbraw/zinc/23/01/81/331230181.db2.gz GFAQJMFNORGCFM-ZETCQYMHSA-N -1 1 277.698 3.666 20 0 CHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1F ZINC000485048732 331908891 /nfs/dbraw/zinc/90/88/91/331908891.db2.gz JPDUQNXKRTUJSU-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCc1csc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000486945824 331951148 /nfs/dbraw/zinc/95/11/48/331951148.db2.gz RTCVQMZWVIGZLR-UHFFFAOYSA-N -1 1 297.767 3.709 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000228832938 333297633 /nfs/dbraw/zinc/29/76/33/333297633.db2.gz ZVIURRFDUNWNIB-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM O=c1cc(C(F)F)nc(SCc2ccc(F)cc2)[n-]1 ZINC000576030378 335143452 /nfs/dbraw/zinc/14/34/52/335143452.db2.gz AKUFEODLTRSKEG-UHFFFAOYSA-N -1 1 286.278 3.551 20 0 CHADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])c(C)n1C(C)C ZINC000530006566 333518100 /nfs/dbraw/zinc/51/81/00/333518100.db2.gz QPAAPUHKGILXRL-UHFFFAOYSA-N -1 1 290.338 3.783 20 0 CHADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000123988542 333555380 /nfs/dbraw/zinc/55/53/80/333555380.db2.gz OGVPQALPWDFWNT-GFCCVEGCSA-N -1 1 295.338 3.972 20 0 CHADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000124061030 333555847 /nfs/dbraw/zinc/55/58/47/333555847.db2.gz OQPQNIJQRMKKQJ-LBPRGKRZSA-N -1 1 293.382 3.820 20 0 CHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000131027607 333894406 /nfs/dbraw/zinc/89/44/06/333894406.db2.gz GAWLBXRHSXCAMF-UHFFFAOYSA-N -1 1 287.793 3.511 20 0 CHADMM CCc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000132982082 334012448 /nfs/dbraw/zinc/01/24/48/334012448.db2.gz IPMSELZPTKRLRQ-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000546719284 334048078 /nfs/dbraw/zinc/04/80/78/334048078.db2.gz LFEJDMMLGQJLBO-YPMHNXCESA-N -1 1 299.374 3.547 20 0 CHADMM Cc1c2ccccc2oc1-c1nc2ccc(C)cc2c(=O)[n-]1 ZINC000077257028 334100258 /nfs/dbraw/zinc/10/02/58/334100258.db2.gz VWTBAMPAVXGISG-UHFFFAOYSA-N -1 1 290.322 3.953 20 0 CHADMM CC(C)Oc1ncccc1NCc1cccc([O-])c1Cl ZINC000336889616 334916945 /nfs/dbraw/zinc/91/69/45/334916945.db2.gz GKWRISFAHLCINP-UHFFFAOYSA-N -1 1 292.766 3.840 20 0 CHADMM O=C(Nc1cccc(O)c1F)c1cc2ccccc2cc1[O-] ZINC000180019118 335541514 /nfs/dbraw/zinc/54/15/14/335541514.db2.gz XPBCERNCQYUWFG-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CO[C@H](C)c1nc(=N[C@@H]2CCCCC23CCCC3)s[n-]1 ZINC000383777774 336117649 /nfs/dbraw/zinc/11/76/49/336117649.db2.gz SNGYBFDYBQPTDE-VXGBXAGGSA-N -1 1 295.452 3.582 20 0 CHADMM CCn1cc(C(=O)Nc2ccc(F)cc2[O-])c2ccccc21 ZINC000340326993 523345760 /nfs/dbraw/zinc/34/57/60/523345760.db2.gz HPDCPXFGCGUMPN-UHFFFAOYSA-N -1 1 298.317 3.758 20 0 CHADMM Cc1ccoc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000277342540 525807055 /nfs/dbraw/zinc/80/70/55/525807055.db2.gz OZDHHMOROSNRLC-ZDUSSCGKSA-N -1 1 293.750 3.547 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000082192628 527236114 /nfs/dbraw/zinc/23/61/14/527236114.db2.gz DOQVYNYJIADBPO-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc([O-])cc1F ZINC000277889351 527506389 /nfs/dbraw/zinc/50/63/89/527506389.db2.gz FOSSICNPWLXHTP-UHFFFAOYSA-N -1 1 292.335 3.508 20 0 CHADMM CCN(Cc1cc(C(=O)[O-])co1)[C@H](C)c1ccc(F)cc1 ZINC000565780051 599848438 /nfs/dbraw/zinc/84/84/38/599848438.db2.gz NEXAYQCJRMKXTD-LLVKDONJSA-N -1 1 291.322 3.700 20 0 CHADMM CC(C)N(Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC000736471647 599848854 /nfs/dbraw/zinc/84/88/54/599848854.db2.gz JSUKIYBTLUAEOW-UHFFFAOYSA-N -1 1 291.322 3.528 20 0 CHADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000566358792 600217787 /nfs/dbraw/zinc/21/77/87/600217787.db2.gz MEKFMGHGCFWKHF-AWEZNQCLSA-N -1 1 289.331 3.525 20 0 CHADMM CCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2)o1 ZINC000737259823 600411251 /nfs/dbraw/zinc/41/12/51/600411251.db2.gz YOHYJUKNXGWVDZ-MRXNPFEDSA-N -1 1 299.370 3.877 20 0 CHADMM CCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])o1 ZINC000737290382 600524647 /nfs/dbraw/zinc/52/46/47/600524647.db2.gz NPRRVWZXOKKOHL-UHFFFAOYSA-N -1 1 299.326 3.576 20 0 CHADMM C[C@H]1c2ccccc2CN1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527805 601117171 /nfs/dbraw/zinc/11/71/71/601117171.db2.gz PCWVAQHQAUEWFP-ZBEGNZNMSA-N -1 1 285.318 3.528 20 0 CHADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000573808409 601118947 /nfs/dbraw/zinc/11/89/47/601118947.db2.gz KLPXPBGWWZTNFM-AWEZNQCLSA-N -1 1 275.348 3.508 20 0 CHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000828424701 601178972 /nfs/dbraw/zinc/17/89/72/601178972.db2.gz RXVKHLBIWSCLQJ-BFQNTYOBSA-N -1 1 285.343 3.732 20 0 CHADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000828455981 601614879 /nfs/dbraw/zinc/61/48/79/601614879.db2.gz HOBNBZPMTCKLIU-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1ccc(CN(Cc2ccsc2C(=O)[O-])C2CC2)o1 ZINC000652387721 601807429 /nfs/dbraw/zinc/80/74/29/601807429.db2.gz NXPVWDZYMLODJJ-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM C[C@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])s1 ZINC000109602100 601938209 /nfs/dbraw/zinc/93/82/09/601938209.db2.gz NZKOHUQGVYSVRF-VIFPVBQESA-N -1 1 293.413 3.627 20 0 CHADMM C/C(=C\c1ccccc1)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833386818 604634214 /nfs/dbraw/zinc/63/42/14/604634214.db2.gz TYMPCRLPEMATSD-NTEUORMPSA-N -1 1 293.366 3.804 20 0 CHADMM C[C@H](c1ccccc1F)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550419 604847834 /nfs/dbraw/zinc/84/78/34/604847834.db2.gz VNCVTNDEUCGHQZ-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000820148536 605139299 /nfs/dbraw/zinc/13/92/99/605139299.db2.gz OEDTULFVMHKTED-SNVBAGLBSA-N -1 1 291.297 3.514 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124454109 949253677 /nfs/dbraw/zinc/25/36/77/949253677.db2.gz GYRNSHJLSYWBBE-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])s1)c1cccc(F)c1F ZINC001589131600 956199703 /nfs/dbraw/zinc/19/97/03/956199703.db2.gz VQNXSYFHMCPREA-QMMMGPOBSA-N -1 1 297.326 3.575 20 0 CHADMM Cc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001594404205 958883368 /nfs/dbraw/zinc/88/33/68/958883368.db2.gz URMFIMYLQCGKTB-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC000211418140 959685223 /nfs/dbraw/zinc/68/52/23/959685223.db2.gz PFWMMJBKRKFPTN-ABAIWWIYSA-N -1 1 289.762 3.817 20 0 CHADMM C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873601 963944805 /nfs/dbraw/zinc/94/48/05/963944805.db2.gz AOXDTZASGBKNLK-MLGOLLRUSA-N -1 1 299.370 3.733 20 0 CHADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000652373639 975516338 /nfs/dbraw/zinc/51/63/38/975516338.db2.gz IMEIQEOPCRWXRQ-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM Cc1cc(CN[C@@H](c2cccs2)C2CC2)oc1C(=O)[O-] ZINC000902084547 980724938 /nfs/dbraw/zinc/72/49/38/980724938.db2.gz NFULWKRDAHZJHM-CYBMUJFWSA-N -1 1 291.372 3.589 20 0 CHADMM Cc1cc2[n-]c(CC3(C)CCCC3)nc(=O)c2s1 ZINC000656491882 1118565222 /nfs/dbraw/zinc/56/52/22/1118565222.db2.gz SBRFFVMWYJTKPZ-UHFFFAOYSA-N -1 1 262.378 3.828 20 0 CHADMM CC[C@@H]1c2ccccc2CCN1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595505152 981281706 /nfs/dbraw/zinc/28/17/06/981281706.db2.gz YSDWCNZGAHGCIB-MRXNPFEDSA-N -1 1 298.386 3.531 20 0 CHADMM CSc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599813105 988372287 /nfs/dbraw/zinc/37/22/87/988372287.db2.gz MYOXQPJLNUABHG-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM CC(C)N(CCC(=O)[O-])Cc1csc(Cl)c1Cl ZINC001591587005 992795184 /nfs/dbraw/zinc/79/51/84/992795184.db2.gz JZAWGIJLYDUJFT-UHFFFAOYSA-N -1 1 296.219 3.740 20 0 CHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593317652 994821560 /nfs/dbraw/zinc/82/15/60/994821560.db2.gz SEYSEZRQMSOXFJ-MRVPVSSYSA-N -1 1 297.713 3.621 20 0 CHADMM COc1cccc(F)c1Nc1ccc(F)c(F)c1[O-] ZINC001174995168 1121123330 /nfs/dbraw/zinc/12/33/30/1121123330.db2.gz OSJLZKLQIDUKHV-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CCCCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000729374902 1121785010 /nfs/dbraw/zinc/78/50/10/1121785010.db2.gz ZZOWHASYJTXMSQ-GFCCVEGCSA-N -1 1 273.298 3.987 20 0 CHADMM CCC(CC)COC(=O)Nc1c([O-])cccc1F ZINC001194706164 1122795571 /nfs/dbraw/zinc/79/55/71/1122795571.db2.gz BHSMMYKZGUKPGB-UHFFFAOYSA-N -1 1 255.289 3.516 20 0 CHADMM CCC[C@H](C(=O)[N-]OC[C@@H](C)CC)c1ccccc1 ZINC000794872864 1124023404 /nfs/dbraw/zinc/02/34/04/1124023404.db2.gz XQBBDRPGOCBLTF-ZFWWWQNUSA-N -1 1 263.381 3.664 20 0 CHADMM CC(C)(CC(=O)Nc1cccc(F)c1[O-])CC(F)(F)F ZINC000880853414 1125294197 /nfs/dbraw/zinc/29/41/97/1125294197.db2.gz DDHWROFXVVAWGQ-UHFFFAOYSA-N -1 1 293.260 3.839 20 0 CHADMM Oc1cccc(C[N@@H+]2CCCCC23CC3)c1Br ZINC001140552653 1131789652 /nfs/dbraw/zinc/78/96/52/1131789652.db2.gz KESCNIWPSVXQGX-UHFFFAOYSA-N -1 1 296.208 3.673 20 0 CHADMM CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC001148790070 1131870982 /nfs/dbraw/zinc/87/09/82/1131870982.db2.gz GURUDQSAUSTBHR-UHFFFAOYSA-N -1 1 289.297 3.670 20 0 CHADMM CC(C)(C)CNC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001247973773 1132009859 /nfs/dbraw/zinc/00/98/59/1132009859.db2.gz MPOQDBIETNZNIT-UHFFFAOYSA-N -1 1 290.791 3.517 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)COC(C)(C)C ZINC001229475529 1132074214 /nfs/dbraw/zinc/07/42/14/1132074214.db2.gz YGNIINRPICQRRM-LLVKDONJSA-N -1 1 280.364 3.567 20 0 CHADMM CN(Cc1ccc([S-])cc1)Cc1ccccc1F ZINC001233261143 1132591074 /nfs/dbraw/zinc/59/10/74/1132591074.db2.gz CWILOGPNTURJTF-UHFFFAOYSA-N -1 1 261.365 3.746 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CCC=CCC1 ZINC000885680788 1125620866 /nfs/dbraw/zinc/62/08/66/1125620866.db2.gz ZGFQTRMWHNJNKN-UHFFFAOYSA-N -1 1 283.730 3.870 20 0 CHADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680079 1125621148 /nfs/dbraw/zinc/62/11/48/1125621148.db2.gz LICDKBOOWAGRMG-RKDXNWHRSA-N -1 1 285.746 3.950 20 0 CHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000110325461 1125629398 /nfs/dbraw/zinc/62/93/98/1125629398.db2.gz JBCDQTRDHBLUGE-SNVBAGLBSA-N -1 1 281.783 3.744 20 0 CHADMM CCC(CC)N(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000614940363 1125697563 /nfs/dbraw/zinc/69/75/63/1125697563.db2.gz ODDCGHYAUDCKKN-UHFFFAOYSA-N -1 1 286.375 3.591 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(Cl)nc(Cl)c1 ZINC001212092032 1125725650 /nfs/dbraw/zinc/72/56/50/1125725650.db2.gz FAIDKHJCACWAMQ-UHFFFAOYSA-N -1 1 290.537 3.886 20 0 CHADMM [O-]c1cccc(CN2CCOC3(CCCCC3)C2)c1Cl ZINC000508758987 1125789098 /nfs/dbraw/zinc/78/90/98/1125789098.db2.gz YDVWFJJGOWQQQA-UHFFFAOYSA-N -1 1 295.810 3.581 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccccc2CF)n1 ZINC000901536836 1129934648 /nfs/dbraw/zinc/93/46/48/1129934648.db2.gz KVMHMNWBJMVAAI-UHFFFAOYSA-N -1 1 278.352 3.506 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001202768046 1126773603 /nfs/dbraw/zinc/77/36/03/1126773603.db2.gz PAWBUHIMLHDVBL-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1cccs1 ZINC000180331993 1126842347 /nfs/dbraw/zinc/84/23/47/1126842347.db2.gz WVHGEMBPUKSDFW-LBPRGKRZSA-N -1 1 291.347 3.570 20 0 CHADMM Cc1ncc([N-]c2cc(-c3cccc(F)c3)no2)s1 ZINC001212130615 1126932391 /nfs/dbraw/zinc/93/23/91/1126932391.db2.gz ZTFWIINTZZDXFK-UHFFFAOYSA-N -1 1 275.308 3.989 20 0 CHADMM CC(C)CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909982729 1127042671 /nfs/dbraw/zinc/04/26/71/1127042671.db2.gz LBAHRLQJQIMKOB-UHFFFAOYSA-N -1 1 283.318 3.825 20 0 CHADMM C/C(=C/C(=O)Nc1cc([O-])c(F)cc1F)C(C)(C)C ZINC000909982338 1127043087 /nfs/dbraw/zinc/04/30/87/1127043087.db2.gz GKSDAIIWBMTSHS-YVMONPNESA-N -1 1 269.291 3.601 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCC2(CC2)C1 ZINC000909988462 1127043334 /nfs/dbraw/zinc/04/33/34/1127043334.db2.gz LLPMJYHMTMXWNU-VIFPVBQESA-N -1 1 281.302 3.579 20 0 CHADMM CCCC[C@@](C)(F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988731 1127043406 /nfs/dbraw/zinc/04/34/06/1127043406.db2.gz YAJFAJWJTCRLGE-CYBMUJFWSA-N -1 1 275.270 3.527 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCC2(CC2)CC1 ZINC000909988357 1127044010 /nfs/dbraw/zinc/04/40/10/1127044010.db2.gz GXASEHVQDLVVDW-UHFFFAOYSA-N -1 1 281.302 3.579 20 0 CHADMM CCCCC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306164 1127252398 /nfs/dbraw/zinc/25/23/98/1127252398.db2.gz VOBKLOSGLZIXTG-JTQLQIEISA-N -1 1 269.772 3.744 20 0 CHADMM [O-]c1c(F)cc(CN2CCC[C@@H](F)CC2)cc1Cl ZINC001237985377 1131158842 /nfs/dbraw/zinc/15/88/42/1131158842.db2.gz WJJALRRYAMEJTR-SNVBAGLBSA-N -1 1 275.726 3.509 20 0 CHADMM COC[C@H]([N-]c1nc(C(C)C)no1)c1cccc(Cl)c1 ZINC000288816794 1127364556 /nfs/dbraw/zinc/36/45/56/1127364556.db2.gz HDUWEMCVCKPESG-LBPRGKRZSA-N -1 1 295.770 3.646 20 0 CHADMM CC1(C)CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000289141374 1127375146 /nfs/dbraw/zinc/37/51/46/1127375146.db2.gz SCWNSHMWPFOBCS-LLVKDONJSA-N -1 1 294.738 3.726 20 0 CHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000761020484 1127385403 /nfs/dbraw/zinc/38/54/03/1127385403.db2.gz BUQJFBLTUAMFHZ-ZETCQYMHSA-N -1 1 295.688 3.506 20 0 CHADMM CCOc1ccc(SCC(=O)c2ccc([O-])cc2)cc1 ZINC000761071536 1127425785 /nfs/dbraw/zinc/42/57/85/1127425785.db2.gz HXWDLUVGCJVEPJ-UHFFFAOYSA-N -1 1 288.368 3.766 20 0 CHADMM CCCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440163 1127737056 /nfs/dbraw/zinc/73/70/56/1127737056.db2.gz LXYDOBKWYKGSOX-UHFFFAOYSA-N -1 1 273.307 3.736 20 0 CHADMM Cc1cccc2[nH]cc(CC(=O)Nc3c([O-])cccc3F)c21 ZINC000608366794 1127862911 /nfs/dbraw/zinc/86/29/11/1127862911.db2.gz ZGOKJKIFELKXOY-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM Cc1ccc2[nH]c(C(=O)Nc3c([O-])cccc3F)cc2c1C ZINC000608366319 1127863089 /nfs/dbraw/zinc/86/30/89/1127863089.db2.gz RGZTXTDUFYHUAQ-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM CCc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000232389693 1127888823 /nfs/dbraw/zinc/88/88/23/1127888823.db2.gz VIIOPUBYLVTZID-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412780114 1127925980 /nfs/dbraw/zinc/92/59/80/1127925980.db2.gz KXYMKARJYZAXKD-LBPRGKRZSA-N -1 1 283.371 3.806 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)sc1C ZINC000494333505 1128170094 /nfs/dbraw/zinc/17/00/94/1128170094.db2.gz OOZHXYXSEYEWFF-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000062927493 1128441633 /nfs/dbraw/zinc/44/16/33/1128441633.db2.gz YWRCXQCKVYOKSQ-CYBMUJFWSA-N -1 1 283.371 3.808 20 0 CHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000124656714 1128445641 /nfs/dbraw/zinc/44/56/41/1128445641.db2.gz ATAQCYHNYKZTPI-OCCSQVGLSA-N -1 1 283.371 3.949 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000124888801 1128446786 /nfs/dbraw/zinc/44/67/86/1128446786.db2.gz KXGALQSNUAHMKH-GUYCJALGSA-N -1 1 295.382 3.950 20 0 CHADMM C[C@@H](CS[C@@H]1COC(C)(C)C1)C(=O)c1ccc([O-])cc1 ZINC000918158497 1128538096 /nfs/dbraw/zinc/53/80/96/1128538096.db2.gz BFRHQDZGVYXHPR-FZMZJTMJSA-N -1 1 294.416 3.512 20 0 CHADMM [O-]c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1Cl ZINC000154866499 1128584257 /nfs/dbraw/zinc/58/42/57/1128584257.db2.gz IUQDPBLZGIEWGF-UHFFFAOYSA-N -1 1 280.114 3.637 20 0 CHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000131010983 1128602480 /nfs/dbraw/zinc/60/24/80/1128602480.db2.gz GPRCJKPYBYPBMI-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCCCN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000570542476 1128625577 /nfs/dbraw/zinc/62/55/77/1128625577.db2.gz PRXNOYJOVVLLGZ-ZIAGYGMSSA-N -1 1 290.407 3.608 20 0 CHADMM CC1CCC(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000920462730 1128682438 /nfs/dbraw/zinc/68/24/38/1128682438.db2.gz JDVHHWTZYRDETB-UHFFFAOYSA-N -1 1 281.783 3.602 20 0 CHADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000920463164 1128682827 /nfs/dbraw/zinc/68/28/27/1128682827.db2.gz AAZFLVKTKWXJPX-MNOVXSKESA-N -1 1 281.783 3.602 20 0 CHADMM Cc1cccc(CC(=O)Nc2c([O-])cccc2F)c1Cl ZINC000683114885 1117773942 /nfs/dbraw/zinc/77/39/42/1117773942.db2.gz QVYICSPKBSQHJF-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM CCc1c(C(C)C)[n-]n([C@@H](C)c2ccccc2)c1=O ZINC000634599110 1118041805 /nfs/dbraw/zinc/04/18/05/1118041805.db2.gz APZFRZZCKVUBKC-JSGCOSHPSA-N -1 1 258.365 3.628 20 0 CHADMM CCCc1ccc(CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000579615820 1128753517 /nfs/dbraw/zinc/75/35/17/1128753517.db2.gz UEHFTOVMWIZRMA-UHFFFAOYSA-N -1 1 274.389 3.735 20 0 CHADMM COc1cc(Cl)ccc1Nc1ccnc(Cl)c1[O-] ZINC001209908503 1118108308 /nfs/dbraw/zinc/10/83/08/1118108308.db2.gz HWSQWQLRCSEMDI-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM Cc1nc2ccc(NC(=O)c3ccccc3[O-])cc2s1 ZINC000010784088 1118159892 /nfs/dbraw/zinc/15/98/92/1118159892.db2.gz DEEXFIHARMFXLB-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM O=C(/C=C\c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000033727109 1118166204 /nfs/dbraw/zinc/16/62/04/1118166204.db2.gz OBRCNWNGFDIALN-TWGQIWQCSA-N -1 1 273.719 3.698 20 0 CHADMM O=C(NCc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000016640590 1118169337 /nfs/dbraw/zinc/16/93/37/1118169337.db2.gz VCFDEWTXYZXDQB-UHFFFAOYSA-N -1 1 295.313 3.615 20 0 CHADMM Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000039285490 1118186675 /nfs/dbraw/zinc/18/66/75/1118186675.db2.gz QIFURBGMYXUKGA-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CCSc1ccccc1C(=O)Nc1cccc(F)c1[O-] ZINC001648846848 1118252446 /nfs/dbraw/zinc/25/24/46/1118252446.db2.gz GLNOZXKPXQGXNX-UHFFFAOYSA-N -1 1 291.347 3.896 20 0 CHADMM O=c1cc(Nc2c(Cl)ccc([O-])c2Cl)cc[nH]1 ZINC001212276405 1128770715 /nfs/dbraw/zinc/77/07/15/1128770715.db2.gz PMOJYHRPAHWZBP-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM O=c1[nH]cc(Nc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC001210601850 1118347568 /nfs/dbraw/zinc/34/75/68/1118347568.db2.gz LKXKYQUBJQIEBA-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM CC(C)(O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001210618219 1118350040 /nfs/dbraw/zinc/35/00/40/1118350040.db2.gz QXTKPRRUHHHRLX-UHFFFAOYSA-N -1 1 279.286 3.641 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCC2(CC2)CC1 ZINC000616102186 1128776232 /nfs/dbraw/zinc/77/62/32/1128776232.db2.gz YJCMBKMTYVLRDQ-UHFFFAOYSA-N -1 1 281.302 3.579 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC2(CC2)C1 ZINC000616102135 1128776372 /nfs/dbraw/zinc/77/63/72/1128776372.db2.gz XXXYKASXPPINKH-SECBINFHSA-N -1 1 281.302 3.579 20 0 CHADMM CC1(C)CCC(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000580801800 1118504616 /nfs/dbraw/zinc/50/46/16/1118504616.db2.gz YLLANRSCWXNMCT-UHFFFAOYSA-N -1 1 297.345 3.617 20 0 CHADMM [O-]c1cc(F)c(-c2cncc(C(F)(F)F)c2)cc1F ZINC001211340758 1118505410 /nfs/dbraw/zinc/50/54/10/1118505410.db2.gz YMXMUFXNDRLANX-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-c3ncco3)cc2)cc1F ZINC001211349880 1118506632 /nfs/dbraw/zinc/50/66/32/1118506632.db2.gz KNIKFTNUBZURDG-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM CCc1nc(SCCCC2CCC2)[n-]c(=O)c1C ZINC000657264117 1118944406 /nfs/dbraw/zinc/94/44/06/1118944406.db2.gz FJMGAGKWUSNMMP-UHFFFAOYSA-N -1 1 266.410 3.725 20 0 CHADMM CSc1c(F)cccc1C(=O)Nc1c([O-])cccc1F ZINC000684770387 1119021772 /nfs/dbraw/zinc/02/17/72/1119021772.db2.gz RAOPXSLJLBTDFT-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM CCC(CC)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873786 1119083611 /nfs/dbraw/zinc/08/36/11/1119083611.db2.gz KZJVZZQSKQXLAC-UHFFFAOYSA-N -1 1 289.297 3.577 20 0 CHADMM CCCCS[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666053 1119086846 /nfs/dbraw/zinc/08/68/46/1119086846.db2.gz FBMNKPGYOPDUIV-SECBINFHSA-N -1 1 287.812 3.906 20 0 CHADMM Cc1sc(NC(=O)c2ccc([O-])cc2F)nc1C(C)C ZINC000617246699 1128825188 /nfs/dbraw/zinc/82/51/88/1128825188.db2.gz MBIPCBDXZVIYEH-UHFFFAOYSA-N -1 1 294.351 3.672 20 0 CHADMM Nc1cc(Cl)ccc1Nc1c([O-])cc(F)cc1F ZINC001213652825 1119210804 /nfs/dbraw/zinc/21/08/04/1119210804.db2.gz MQTUJTZYORDCBK-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM COCOc1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001211562365 1119263116 /nfs/dbraw/zinc/26/31/16/1119263116.db2.gz IHBPCEGNPNWYSX-UHFFFAOYSA-N -1 1 297.713 3.911 20 0 CHADMM Cc1nsc([N-]c2cccc(OC(C)C)c2F)n1 ZINC001212318140 1128841246 /nfs/dbraw/zinc/84/12/46/1128841246.db2.gz PYXHZNNMFBBMHV-UHFFFAOYSA-N -1 1 267.329 3.516 20 0 CHADMM CCC(C)(C)[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617572306 1128848595 /nfs/dbraw/zinc/84/85/95/1128848595.db2.gz FTFNSYWPSLVJOF-VIFPVBQESA-N -1 1 299.798 3.609 20 0 CHADMM Cc1ccc(-c2ccc(CN(CC(=O)[O-])CC3CC3)o2)cc1 ZINC000650797296 1119479619 /nfs/dbraw/zinc/47/96/19/1119479619.db2.gz QRLUZSNKIVNHLM-UHFFFAOYSA-N -1 1 299.370 3.552 20 0 CHADMM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094069454 1119575506 /nfs/dbraw/zinc/57/55/06/1119575506.db2.gz KUYQNWBZMVLMMO-GFCCVEGCSA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)Cc1c[nH]c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000413657213 1119772577 /nfs/dbraw/zinc/77/25/77/1119772577.db2.gz PGMOPDGXHSHVAH-UHFFFAOYSA-N -1 1 292.766 3.825 20 0 CHADMM CC(C)CC1(C)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000685860220 1119886680 /nfs/dbraw/zinc/88/66/80/1119886680.db2.gz QCMOTTFHDHWCSN-UHFFFAOYSA-N -1 1 293.382 3.820 20 0 CHADMM Cc1c(C#N)cccc1NCc1cccc(Cl)c1[O-] ZINC000181456096 1128881002 /nfs/dbraw/zinc/88/10/02/1128881002.db2.gz WRICWVNAPVUIJB-UHFFFAOYSA-N -1 1 272.735 3.838 20 0 CHADMM CCCOc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181096485 1120102965 /nfs/dbraw/zinc/10/29/65/1120102965.db2.gz APBQGYDFPKDGAW-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000378835663 1120134577 /nfs/dbraw/zinc/13/45/77/1120134577.db2.gz MEIMGRNXBXMMRI-LRDDRELGSA-N -1 1 281.355 3.560 20 0 CHADMM CC(C)(C)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)no1 ZINC000072506658 1120196426 /nfs/dbraw/zinc/19/64/26/1120196426.db2.gz 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/nfs/dbraw/zinc/42/86/60/1120428660.db2.gz NPDAICYAMIZDBG-UHFFFAOYSA-N -1 1 294.285 3.784 20 0 CHADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000673395055 1120466323 /nfs/dbraw/zinc/46/63/23/1120466323.db2.gz VJQVZHWEWHINHG-AAEUAGOBSA-N -1 1 293.382 3.818 20 0 CHADMM COc1ccc(C(=O)Nc2ccc3ccccc3c2)c([O-])c1 ZINC000025419190 1120552397 /nfs/dbraw/zinc/55/23/97/1120552397.db2.gz ZLJGRRNBVOMRMO-UHFFFAOYSA-N -1 1 293.322 3.806 20 0 CHADMM CCn1nc(C)c(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000191455114 1128933969 /nfs/dbraw/zinc/93/39/69/1128933969.db2.gz PHTDLHLNIPIHEP-UHFFFAOYSA-N -1 1 297.761 3.630 20 0 CHADMM Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000051361535 1120882810 /nfs/dbraw/zinc/88/28/10/1120882810.db2.gz PBVSNPNRVXOCMA-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(Cl)cc1 ZINC000051361535 1120882812 /nfs/dbraw/zinc/88/28/12/1120882812.db2.gz PBVSNPNRVXOCMA-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM Cc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1O 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ZINC000614188393 1121517937 /nfs/dbraw/zinc/51/79/37/1121517937.db2.gz BARLJPZAIJHYMF-HNNXBMFYSA-N -1 1 293.370 3.513 20 0 CHADMM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000254950804 1128992780 /nfs/dbraw/zinc/99/27/80/1128992780.db2.gz ZKVYAZZYRCXEMZ-ALCCZGGFSA-N -1 1 277.707 3.599 20 0 CHADMM COc1cc(Nc2c([O-])cc(F)cc2F)c(F)cc1F ZINC001176109679 1121554341 /nfs/dbraw/zinc/55/43/41/1121554341.db2.gz TXLYIGKQIWPVDV-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1noc(C)c1[N-]c1nc(C(C)(C)C)cs1 ZINC001176176230 1121563080 /nfs/dbraw/zinc/56/30/80/1121563080.db2.gz JONMYVCUIQJCDE-UHFFFAOYSA-N -1 1 251.355 3.789 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cncc(Cl)c2)c1F ZINC001176663506 1121670223 /nfs/dbraw/zinc/67/02/23/1121670223.db2.gz HKCVTDFEVNCNQY-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnc3occc3c2)c1F ZINC001176669652 1121671622 /nfs/dbraw/zinc/67/16/22/1121671622.db2.gz JNYRRYGLKNZCFV-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnc(Cl)c(F)c2)c1F ZINC001176664617 1121671922 /nfs/dbraw/zinc/67/19/22/1121671922.db2.gz SHUWPOXTSOTEAN-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)cnc2Cl)c1F ZINC001176664156 1121672220 /nfs/dbraw/zinc/67/22/20/1121672220.db2.gz MFSLUTKNZKEWGT-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM Cc1cc(F)cc(Nc2c(F)cc(F)c([O-])c2F)c1O ZINC001176672420 1121673659 /nfs/dbraw/zinc/67/36/59/1121673659.db2.gz KDFWZCJLCCJDLY-UHFFFAOYSA-N -1 1 287.212 3.706 20 0 CHADMM CC(C)Oc1ncccc1Nc1cc([O-])c(F)c(F)c1 ZINC001176737494 1121685633 /nfs/dbraw/zinc/68/56/33/1121685633.db2.gz PAUCFNDMOIWBPJ-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM Nc1ccc(F)c(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001211833294 1121724589 /nfs/dbraw/zinc/72/45/89/1121724589.db2.gz OYBYWSYUDCNBEG-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM O=C([N-][C@H](c1ccccc1)C1CCCC1)C(F)(F)F ZINC000729326172 1121777152 /nfs/dbraw/zinc/77/71/52/1121777152.db2.gz JMBYOMMCZZGBMB-GFCCVEGCSA-N -1 1 271.282 3.596 20 0 CHADMM Cc1ccc(C(=O)Cc2cccc([O-])c2Cl)cc1 ZINC001249909797 1121831412 /nfs/dbraw/zinc/83/14/12/1121831412.db2.gz JYSBPJQUKLZBKD-UHFFFAOYSA-N -1 1 260.720 3.779 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C12CCC(CC1)C2 ZINC000345195871 1121852367 /nfs/dbraw/zinc/85/23/67/1121852367.db2.gz JEGBKUVYXJGOJB-UHFFFAOYSA-N -1 1 265.740 3.564 20 0 CHADMM [O-]c1cc(Nc2ccnc(Cl)c2F)c(F)c(F)c1F ZINC001249960485 1121965205 /nfs/dbraw/zinc/96/52/05/1121965205.db2.gz JZEAYCPRHRXEDE-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM C[C@@H](O)c1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022784 1122090007 /nfs/dbraw/zinc/09/00/07/1122090007.db2.gz VLLPLQYRTUOPBP-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])CC(C)(C)C ZINC001183054581 1122203136 /nfs/dbraw/zinc/20/31/36/1122203136.db2.gz NYPNEVRVJWSQBB-JTQLQIEISA-N -1 1 267.344 3.932 20 0 CHADMM O=C(Cc1cccc(C2CC2)c1)Nc1ccc(F)cc1[O-] ZINC001183054610 1122203467 /nfs/dbraw/zinc/20/34/67/1122203467.db2.gz PJRHNCDMQSRNFC-UHFFFAOYSA-N -1 1 285.318 3.590 20 0 CHADMM C[C@H](CCC(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183217370 1122211569 /nfs/dbraw/zinc/21/15/69/1122211569.db2.gz AZXKFLKFWLZGEP-SECBINFHSA-N -1 1 284.787 3.842 20 0 CHADMM COc1cc(C)cc(NCc2ccc([O-])c(F)c2F)c1C ZINC001183248409 1122214871 /nfs/dbraw/zinc/21/48/71/1122214871.db2.gz OAVSKSCFNFTKOQ-UHFFFAOYSA-N -1 1 293.313 3.908 20 0 CHADMM [O-]c1ccc(F)c(Cc2ccc3c(c2)OCO3)c1Cl ZINC001250158159 1122287512 /nfs/dbraw/zinc/28/75/12/1122287512.db2.gz LYJGJNVRZKBFTC-UHFFFAOYSA-N -1 1 280.682 3.504 20 0 CHADMM C[C@@H](NC(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001185012679 1122307331 /nfs/dbraw/zinc/30/73/31/1122307331.db2.gz DSEKHEGXDQZLQL-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM [O-]c1c(F)cc(F)c(CCCC(F)(F)F)c1F ZINC001250227784 1122373891 /nfs/dbraw/zinc/37/38/91/1122373891.db2.gz VKZKTDZBYRNBBN-UHFFFAOYSA-N -1 1 258.161 3.695 20 0 CHADMM [O-]c1ccc(F)c(Nc2snc3cccnc32)c1Cl ZINC001250233975 1122378341 /nfs/dbraw/zinc/37/83/41/1122378341.db2.gz HUFFAKAJTLYVPO-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 CHADMM Clc1cccc2nc([N-]c3cnoc3)sc21 ZINC001203232365 1122380903 /nfs/dbraw/zinc/38/09/03/1122380903.db2.gz TZKLDQAZHPXAOV-UHFFFAOYSA-N -1 1 251.698 3.681 20 0 CHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])cc2F)cc1C ZINC001186328817 1122383335 /nfs/dbraw/zinc/38/33/35/1122383335.db2.gz LBPBWKOJQRWMER-UHFFFAOYSA-N -1 1 273.307 3.709 20 0 CHADMM C[C@@H](NC(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001186339136 1122387597 /nfs/dbraw/zinc/38/75/97/1122387597.db2.gz YMDZIJQOMWCLAB-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c([O-])cc1F)C1CCCCC1 ZINC001186395196 1122389224 /nfs/dbraw/zinc/38/92/24/1122389224.db2.gz UELGKMRCQCGKQP-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM CSc1ccccc1NC(=O)Nc1cccc(F)c1[O-] ZINC001186745670 1122405697 /nfs/dbraw/zinc/40/56/97/1122405697.db2.gz GRHRORXVMHKRMO-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM CCc1ccccc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001187638061 1122435428 /nfs/dbraw/zinc/43/54/28/1122435428.db2.gz ZDLYTPMCVLOPLZ-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001189051529 1122487483 /nfs/dbraw/zinc/48/74/83/1122487483.db2.gz LEPYLINKGSDFIE-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c(C)s1 ZINC000071381292 1129059231 /nfs/dbraw/zinc/05/92/31/1129059231.db2.gz GYDBOHPOYSFZMU-SECBINFHSA-N -1 1 279.361 3.507 20 0 CHADMM CCc1cc(=O)[n-]c(SCCC(C)(C)CC)n1 ZINC000436207978 1122522977 /nfs/dbraw/zinc/52/29/77/1122522977.db2.gz YLXOKOZBOPDTMC-UHFFFAOYSA-N -1 1 254.399 3.663 20 0 CHADMM CN(Cc1cc([O-])c(Cl)c(F)c1F)CC(C)(C)C ZINC001250408409 1122561056 /nfs/dbraw/zinc/56/10/56/1122561056.db2.gz GQKSCOYBKAUJDZ-UHFFFAOYSA-N -1 1 277.742 3.802 20 0 CHADMM CC(C)N(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000436559908 1122562341 /nfs/dbraw/zinc/56/23/41/1122562341.db2.gz CLRXIVRADDCWHY-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM CC(C)CC[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436604281 1122565680 /nfs/dbraw/zinc/56/56/80/1122565680.db2.gz NXOWBBMJFQTXHP-CYBMUJFWSA-N -1 1 279.355 3.572 20 0 CHADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1 ZINC000436705535 1122574231 /nfs/dbraw/zinc/57/42/31/1122574231.db2.gz PCHXTPSJPLQVOV-BZNIZROVSA-N -1 1 293.794 3.698 20 0 CHADMM CC(C)c1cccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000436742682 1122577334 /nfs/dbraw/zinc/57/73/34/1122577334.db2.gz WTRRWBLDSOBXOV-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC2(CCC2)C1 ZINC000436833126 1122586127 /nfs/dbraw/zinc/58/61/27/1122586127.db2.gz LHEJCZZSUQYBOU-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM Cc1ccc(O)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436823650 1122586568 /nfs/dbraw/zinc/58/65/68/1122586568.db2.gz CGDQYNFZYYBJOK-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC(C)(C)C1 ZINC000436840560 1122587558 /nfs/dbraw/zinc/58/75/58/1122587558.db2.gz XKCUSFMFKNPXSA-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC(C)(C)C1 ZINC000436840948 1122588236 /nfs/dbraw/zinc/58/82/36/1122588236.db2.gz YEJRQUKLEPAQKA-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436874027 1122589791 /nfs/dbraw/zinc/58/97/91/1122589791.db2.gz PBXJYQNGXVARSH-VHSXEESVSA-N -1 1 276.311 3.560 20 0 CHADMM CCCC[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436874804 1122590190 /nfs/dbraw/zinc/59/01/90/1122590190.db2.gz RPVOQUWZQYZWMS-SECBINFHSA-N -1 1 264.300 3.875 20 0 CHADMM CC1(C)CC(c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000436871689 1122590230 /nfs/dbraw/zinc/59/02/30/1122590230.db2.gz KKBBIJBFHTVJRA-UHFFFAOYSA-N -1 1 278.739 3.999 20 0 CHADMM CCc1ccccc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436874115 1122590341 /nfs/dbraw/zinc/59/03/41/1122590341.db2.gz PLIUROBICJLSTK-UHFFFAOYSA-N -1 1 298.317 3.735 20 0 CHADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881263 1122591404 /nfs/dbraw/zinc/59/14/04/1122591404.db2.gz RRRAVZGZHMBWMK-HIFRSBDPSA-N -1 1 293.382 3.866 20 0 CHADMM CC(C)N(CC1CCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436889303 1122592630 /nfs/dbraw/zinc/59/26/30/1122592630.db2.gz WDKZNZAMUHGJTQ-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C ZINC000437004667 1122602597 /nfs/dbraw/zinc/60/25/97/1122602597.db2.gz MUVZKHRUVBTCAV-ZDUSSCGKSA-N -1 1 281.783 3.552 20 0 CHADMM Cc1cccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001250474144 1122649767 /nfs/dbraw/zinc/64/97/67/1122649767.db2.gz HLWGJVUKZFQFSB-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC000620679109 1129072339 /nfs/dbraw/zinc/07/23/39/1129072339.db2.gz PPYNUQAHYJMGLH-KRWDZBQOSA-N -1 1 299.345 3.647 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(Cl)c2)o1 ZINC000426764264 1122913317 /nfs/dbraw/zinc/91/33/17/1122913317.db2.gz HPHFRBUSIMXFIH-CYBMUJFWSA-N -1 1 293.750 3.547 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2ccc(F)cc2)cc1F ZINC001196947723 1122941311 /nfs/dbraw/zinc/94/13/11/1122941311.db2.gz BUYWYYQGBCWCEY-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001197932359 1122974411 /nfs/dbraw/zinc/97/44/11/1122974411.db2.gz ROXLEIHQZKTGKS-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc(F)c([O-])cc2F)cc1 ZINC001197932279 1122974434 /nfs/dbraw/zinc/97/44/34/1122974434.db2.gz PAENISFIFQMGHS-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM O=C(Nc1cccc(-c2nccs2)c1)c1ccccc1[O-] ZINC000154657433 1129090820 /nfs/dbraw/zinc/09/08/20/1129090820.db2.gz FWWWIVCEKRPDBO-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM Cc1cccc(C)c1NC(=S)Nc1cccc(F)c1[O-] ZINC001198358133 1122989775 /nfs/dbraw/zinc/98/97/75/1122989775.db2.gz VEJSHXKSQIKEMG-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM Cc1cccc(NC(=S)Nc2cc(Cl)ncc2[O-])c1 ZINC001198658972 1123004622 /nfs/dbraw/zinc/00/46/22/1123004622.db2.gz WHKHVZLVGZBDGQ-UHFFFAOYSA-N -1 1 293.779 3.558 20 0 CHADMM Cc1cccc(NC(=S)Nc2ccc([O-])c(F)c2F)c1 ZINC001198681765 1123006476 /nfs/dbraw/zinc/00/64/76/1123006476.db2.gz AIPNMLRFWVKVFH-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C ZINC000050566637 1123092272 /nfs/dbraw/zinc/09/22/72/1123092272.db2.gz OXRHIPQYTUUXHM-CHWSQXEVSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1cc(F)c([O-])cc1F ZINC001202063268 1123171261 /nfs/dbraw/zinc/17/12/61/1123171261.db2.gz RIFWNUZUNSUQIJ-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C ZINC000153744228 1123179150 /nfs/dbraw/zinc/17/91/50/1123179150.db2.gz ITWARJXZURCKRQ-QWHCGFSZSA-N -1 1 283.371 3.664 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc(F)c(F)cc1[O-] ZINC001202247980 1123193907 /nfs/dbraw/zinc/19/39/07/1123193907.db2.gz PBOMJAOUXLJFCC-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000156583603 1129114319 /nfs/dbraw/zinc/11/43/19/1129114319.db2.gz ISAXVWXYUXPVAA-UHFFFAOYSA-N -1 1 267.756 3.955 20 0 CHADMM CCc1c(C)[n-]n(-c2cc(C(F)(F)F)ccc2F)c1=O ZINC000634615580 1129121861 /nfs/dbraw/zinc/12/18/61/1129121861.db2.gz LFUNBFCVJCANHE-SECBINFHSA-N -1 1 288.244 3.593 20 0 CHADMM Cc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1C ZINC000312732420 1129118857 /nfs/dbraw/zinc/11/88/57/1129118857.db2.gz WJNZEZIZXRSMLL-UHFFFAOYSA-N -1 1 266.300 3.545 20 0 CHADMM C[C@H]1CCc2[n-]n(-c3nc(-c4ccccc4)cs3)c(=O)c21 ZINC000634585437 1129118927 /nfs/dbraw/zinc/11/89/27/1129118927.db2.gz GURWDRRZESFDHU-IINYFYTJSA-N -1 1 297.383 3.559 20 0 CHADMM C[C@@H]1CCc2[n-]n(-c3nc(-c4ccccc4)cs3)c(=O)c21 ZINC000634585439 1129119296 /nfs/dbraw/zinc/11/92/96/1129119296.db2.gz GURWDRRZESFDHU-YGRLFVJLSA-N -1 1 297.383 3.559 20 0 CHADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634599378 1129119682 /nfs/dbraw/zinc/11/96/82/1129119682.db2.gz HDXYDRRDTNPJCJ-TZMCWYRMSA-N -1 1 256.349 3.526 20 0 CHADMM CCCc1[n-]n(-c2ccnc3ccccc32)c(=O)c1CC ZINC000634603299 1129120911 /nfs/dbraw/zinc/12/09/11/1129120911.db2.gz VPNYBAUQVDQKGU-GFCCVEGCSA-N -1 1 281.359 3.764 20 0 CHADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000621054455 1129126027 /nfs/dbraw/zinc/12/60/27/1129126027.db2.gz OQUZAZNKLCSKLE-ZDUSSCGKSA-N -1 1 283.371 3.664 20 0 CHADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896780386 1123623788 /nfs/dbraw/zinc/62/37/88/1123623788.db2.gz CRHZWALXJBCYFO-YPMHNXCESA-N -1 1 299.370 3.512 20 0 CHADMM CCCCCC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858362715 1123648132 /nfs/dbraw/zinc/64/81/32/1123648132.db2.gz JFRCSJGOEYNFEB-SECBINFHSA-N -1 1 257.765 3.606 20 0 CHADMM CC(C)(CCNc1cc(Cl)[n-]c(=O)n1)c1ccccc1 ZINC000858363104 1123648159 /nfs/dbraw/zinc/64/81/59/1123648159.db2.gz OTDVFIRQIZWNQC-UHFFFAOYSA-N -1 1 291.782 3.615 20 0 CHADMM CC1(C)CC(Nc2cc(Cl)[n-]c(=O)n2)CC(C)(C)C1 ZINC000858469333 1123656870 /nfs/dbraw/zinc/65/68/70/1123656870.db2.gz USRRDCWIIWWLOO-UHFFFAOYSA-N -1 1 283.803 3.852 20 0 CHADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)CC12CCCCC2 ZINC000858484493 1123657680 /nfs/dbraw/zinc/65/76/80/1123657680.db2.gz SQHHHEBEFDWMBS-LLVKDONJSA-N -1 1 295.814 3.632 20 0 CHADMM CC(C)([N-]C(=O)C(F)(F)F)c1ccc2ccccc2c1 ZINC000859406839 1123697109 /nfs/dbraw/zinc/69/71/09/1123697109.db2.gz XNZTUGLQLGDBQA-UHFFFAOYSA-N -1 1 281.277 3.753 20 0 CHADMM CSc1cccnc1[N-]C(=O)c1cnc(C(C)C)s1 ZINC000652877312 1123723184 /nfs/dbraw/zinc/72/31/84/1123723184.db2.gz UJAINLBZPCFCCG-UHFFFAOYSA-N -1 1 293.417 3.636 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2ncccc21 ZINC000082192607 1129141589 /nfs/dbraw/zinc/14/15/89/1129141589.db2.gz BIBMZPVBNYOXPH-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM CC[C@]1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896965355 1123793458 /nfs/dbraw/zinc/79/34/58/1123793458.db2.gz GOSFLYLZXYTNIJ-GOSISDBHSA-N -1 1 299.370 3.513 20 0 CHADMM CC(C)=CC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000864529245 1123933713 /nfs/dbraw/zinc/93/37/13/1123933713.db2.gz XNIBTUBVCFSABR-MRXNPFEDSA-N -1 1 299.370 3.846 20 0 CHADMM COc1c(Nc2ccc(F)c(F)c2[O-])ccc(F)c1F ZINC001211898862 1123990291 /nfs/dbraw/zinc/99/02/91/1123990291.db2.gz REJGEPNQCVXENW-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)(C)C ZINC000445455413 1124084888 /nfs/dbraw/zinc/08/48/88/1124084888.db2.gz JZFKNELPGUQVGV-MRVPVSSYSA-N -1 1 264.300 3.731 20 0 CHADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000445482591 1124086608 /nfs/dbraw/zinc/08/66/08/1124086608.db2.gz SODNAVYUDMKIGW-NSHDSACASA-N -1 1 298.317 3.928 20 0 CHADMM CC(C)CCO[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483825 1124086731 /nfs/dbraw/zinc/08/67/31/1124086731.db2.gz WXVZNIKLGHOVJH-JTQLQIEISA-N -1 1 294.326 3.705 20 0 CHADMM CCc1ccc(C(=O)N(CC)c2ccccc2C)c([O-])c1 ZINC000527045025 1124544588 /nfs/dbraw/zinc/54/45/88/1124544588.db2.gz KVFKTPMFLJINHT-UHFFFAOYSA-N -1 1 283.371 3.930 20 0 CHADMM C[C@H]1CCc2[n-]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946764 1124654561 /nfs/dbraw/zinc/65/45/61/1124654561.db2.gz IBCRXQDWGYRZLM-ZBEGNZNMSA-N -1 1 264.328 3.589 20 0 CHADMM CC(C)CCc1cc(=O)n(-c2cccc3cnccc32)[n-]1 ZINC000871958967 1124654855 /nfs/dbraw/zinc/65/48/55/1124654855.db2.gz INZHDHLQGACOMU-UHFFFAOYSA-N -1 1 281.359 3.764 20 0 CHADMM CC(=O)c1[n-]c(=N[C@H](C)c2ccc(F)cc2F)sc1C ZINC000450212678 1124947220 /nfs/dbraw/zinc/94/72/20/1124947220.db2.gz DZQPDTIKMPAVOM-SSDOTTSWSA-N -1 1 296.342 3.527 20 0 CHADMM CC1(CCC(=O)Nc2cccc([O-])c2Br)CC1 ZINC000821375368 1131325919 /nfs/dbraw/zinc/32/59/19/1131325919.db2.gz SBEPDCILAUHVTQ-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007096 1125109518 /nfs/dbraw/zinc/10/95/18/1125109518.db2.gz WINDJJXTHPAOOH-UWVGGRQHSA-N -1 1 291.347 3.643 20 0 CHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)cc1F ZINC000530179022 1125129530 /nfs/dbraw/zinc/12/95/30/1125129530.db2.gz KQVGKKWNVUQUMD-NXEZZACHSA-N -1 1 299.773 3.553 20 0 CHADMM CCC(CC)N(CC(C)C)C(=O)c1ccc(F)c([O-])c1 ZINC001137144415 1125209031 /nfs/dbraw/zinc/20/90/31/1125209031.db2.gz UWVCGWSWEZROMR-UHFFFAOYSA-N -1 1 281.371 3.818 20 0 CHADMM Cc1ocnc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000351022370 1125374743 /nfs/dbraw/zinc/37/47/43/1125374743.db2.gz SATPTYOZQRKNTJ-UHFFFAOYSA-N -1 1 293.282 3.559 20 0 CHADMM CCCC[C@@H](CCC)NC(=O)c1ccc(F)c([O-])c1 ZINC001137185379 1125375845 /nfs/dbraw/zinc/37/58/45/1125375845.db2.gz SRHJTPKJJJRYPP-GFCCVEGCSA-N -1 1 267.344 3.620 20 0 CHADMM Fc1cc(Br)ccc1[N-]c1nonc1C1CC1 ZINC001212869964 1129206828 /nfs/dbraw/zinc/20/68/28/1129206828.db2.gz HRUCHIQVJITGFK-UHFFFAOYSA-N -1 1 298.115 3.592 20 0 CHADMM CCCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000795284722 1129209411 /nfs/dbraw/zinc/20/94/11/1129209411.db2.gz QMWCLOQTHNCHPB-UHFFFAOYSA-N -1 1 281.402 3.501 20 0 CHADMM CC(C)C(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622351208 1129251851 /nfs/dbraw/zinc/25/18/51/1129251851.db2.gz IUPRKVHAJBLWMD-UHFFFAOYSA-N -1 1 289.297 3.575 20 0 CHADMM CCC1=NO[C@@H](c2nc(=O)c3c4ccccc4sc3[n-]2)C1 ZINC000735931817 1129361335 /nfs/dbraw/zinc/36/13/35/1129361335.db2.gz FKRLZUNIEIFITK-SNVBAGLBSA-N -1 1 299.355 3.778 20 0 CHADMM CCn1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1=O ZINC001212913548 1129394207 /nfs/dbraw/zinc/39/42/07/1129394207.db2.gz LRGMJKPKPYZSSZ-UHFFFAOYSA-N -1 1 299.157 3.624 20 0 CHADMM CC(C)[C@H](C)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000742460749 1129480702 /nfs/dbraw/zinc/48/07/02/1129480702.db2.gz ZRSXGZMMJGTPNE-JTQLQIEISA-N -1 1 278.373 3.776 20 0 CHADMM CCCCn1ncc(NCc2cccc([O-])c2Cl)c1C ZINC000645171398 1129490185 /nfs/dbraw/zinc/49/01/85/1129490185.db2.gz YEBXYXIFCHDBJF-UHFFFAOYSA-N -1 1 293.798 3.963 20 0 CHADMM CCc1nc(CN(C)Cc2cccc([O-])c2Cl)cs1 ZINC000646065831 1129520277 /nfs/dbraw/zinc/52/02/77/1129520277.db2.gz PNVNEPXJJBEKKI-UHFFFAOYSA-N -1 1 296.823 3.697 20 0 CHADMM Cc1ccc(C2(NC(=O)c3ccc([O-])cc3F)CCC2)cc1 ZINC000649165230 1129636049 /nfs/dbraw/zinc/63/60/49/1129636049.db2.gz FLJJZPXONCYLIL-UHFFFAOYSA-N -1 1 299.345 3.649 20 0 CHADMM [O-]c1c(Cl)cccc1-c1ccc2c(c1)NCCO2 ZINC001242364339 1129795734 /nfs/dbraw/zinc/79/57/34/1129795734.db2.gz IKGHPDRCESRHCV-UHFFFAOYSA-N -1 1 261.708 3.517 20 0 CHADMM CCC(=O)NCc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242365047 1129796857 /nfs/dbraw/zinc/79/68/57/1129796857.db2.gz UQSNKEKIEWWLPI-UHFFFAOYSA-N -1 1 289.762 3.739 20 0 CHADMM COC(=O)c1cc(F)cc(-c2cccc(Cl)c2[O-])c1C ZINC001242366434 1129798252 /nfs/dbraw/zinc/79/82/52/1129798252.db2.gz XIGJHAXTOUYJKC-UHFFFAOYSA-N -1 1 294.709 3.947 20 0 CHADMM C/C(=C\C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000768259195 1129848840 /nfs/dbraw/zinc/84/88/40/1129848840.db2.gz QYTMWFQEMPYKGU-PKNBQFBNSA-N -1 1 271.291 3.573 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1ccccc1 ZINC000768445791 1129857439 /nfs/dbraw/zinc/85/74/39/1129857439.db2.gz CSMXGEZGIBXVDD-MRXNPFEDSA-N -1 1 299.345 3.899 20 0 CHADMM CN(C(=O)c1c([O-])cccc1Cl)C1CCCCCC1 ZINC000769657089 1129920518 /nfs/dbraw/zinc/92/05/18/1129920518.db2.gz MJVGIBQODSUVAE-UHFFFAOYSA-N -1 1 281.783 3.840 20 0 CHADMM Cc1oc(CN[C@@H](c2cccs2)C2CC2)cc1C(=O)[O-] ZINC000902082784 1129978068 /nfs/dbraw/zinc/97/80/68/1129978068.db2.gz CKKQJWZJDWTGQN-CQSZACIVSA-N -1 1 291.372 3.589 20 0 CHADMM Cc1oc(CN[C@H](c2cccs2)C2CC2)cc1C(=O)[O-] ZINC000902082777 1129978461 /nfs/dbraw/zinc/97/84/61/1129978461.db2.gz CKKQJWZJDWTGQN-AWEZNQCLSA-N -1 1 291.372 3.589 20 0 CHADMM CC(=O)Nc1cc(-c2cccc([O-])c2Cl)ccc1C ZINC001242802974 1130056844 /nfs/dbraw/zinc/05/68/44/1130056844.db2.gz UDJFYZPYGWZISL-UHFFFAOYSA-N -1 1 275.735 3.979 20 0 CHADMM CC(C)Cc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242801220 1130057731 /nfs/dbraw/zinc/05/77/31/1130057731.db2.gz OPEZIPQTHHAPCK-UHFFFAOYSA-N -1 1 262.740 3.701 20 0 CHADMM CCc1ccc(C(=O)Nc2ccnn2C2CCCC2)c([O-])c1 ZINC000786864924 1130120004 /nfs/dbraw/zinc/12/00/04/1130120004.db2.gz HVLRNVJBNICMSO-UHFFFAOYSA-N -1 1 299.374 3.519 20 0 CHADMM [S-]c1ccccc1-c1cccc(CCN2CCOCC2)c1 ZINC001240266171 1130251909 /nfs/dbraw/zinc/25/19/09/1130251909.db2.gz QENIDSPWKFVPCR-UHFFFAOYSA-N -1 1 299.439 3.517 20 0 CHADMM COC(=O)c1c(C)cc(F)cc1-c1ccc([O-])c(F)c1F ZINC001243342548 1130385617 /nfs/dbraw/zinc/38/56/17/1130385617.db2.gz ICVIELIGXXKWRW-UHFFFAOYSA-N -1 1 296.244 3.572 20 0 CHADMM CC(=O)Nc1ccc(C)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243343236 1130387579 /nfs/dbraw/zinc/38/75/79/1130387579.db2.gz XXKJRZZYIZLPDR-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000678479202 1130419878 /nfs/dbraw/zinc/41/98/78/1130419878.db2.gz QDSNOBXVCOVYRU-UHFFFAOYSA-N -1 1 287.384 3.673 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2ccncc2)ccn1 ZINC001240693217 1130420922 /nfs/dbraw/zinc/42/09/22/1130420922.db2.gz HMXFDPGQDCQTBW-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM Cc1csc2ncnc(-c3cc(F)ccc3[O-])c12 ZINC001240693659 1130420943 /nfs/dbraw/zinc/42/09/43/1130420943.db2.gz FFAXBKQMTKNCIS-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM COC(=O)c1ccc2c(ccnc2-c2cc(F)ccc2[O-])c1 ZINC001240693149 1130421444 /nfs/dbraw/zinc/42/14/44/1130421444.db2.gz CZRRHBCMYMPSPV-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM Cc1ccc(-c2ccc(-c3cc(F)ccc3[O-])nn2)o1 ZINC001240695780 1130422419 /nfs/dbraw/zinc/42/24/19/1130422419.db2.gz RNNIAKKRHCBDRH-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1cc(C(F)(F)F)cc(-c2cc(F)ccc2[O-])n1 ZINC001240694848 1130422609 /nfs/dbraw/zinc/42/26/09/1130422609.db2.gz YABNXNHJHGIIBM-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM [O-]c1ccc(F)cc1-c1nnc(C2CC2)cc1C(F)(F)F ZINC001240696077 1130422822 /nfs/dbraw/zinc/42/28/22/1130422822.db2.gz ZFYHKRYFTRAFQA-UHFFFAOYSA-N -1 1 298.239 3.885 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(-c2cccs2)n1 ZINC001240696641 1130423267 /nfs/dbraw/zinc/42/32/67/1130423267.db2.gz UYRUXUDIPQTRCO-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM CCOc1nnc(-c2ccc([O-])c(F)c2)c2ccccc21 ZINC001240782449 1130468387 /nfs/dbraw/zinc/46/83/87/1130468387.db2.gz BNFUDLJVNYOKMW-UHFFFAOYSA-N -1 1 284.290 3.540 20 0 CHADMM [O-]c1ccc(-c2ncnc3c4ccccc4oc32)cc1F ZINC001240783170 1130468510 /nfs/dbraw/zinc/46/85/10/1130468510.db2.gz NJRDMGKWCRVJME-UHFFFAOYSA-N -1 1 280.258 3.888 20 0 CHADMM [O-]c1ccc(-c2ncc(-c3ccccc3)cn2)cc1F ZINC001240781974 1130468703 /nfs/dbraw/zinc/46/87/03/1130468703.db2.gz NHYXOBPQHQMLMU-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(-c2nccc3cccc(F)c32)cc1F ZINC001240787832 1130471963 /nfs/dbraw/zinc/47/19/63/1130471963.db2.gz SGGJSJKVNGXZGS-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1ccc(C[C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000679314524 1130513396 /nfs/dbraw/zinc/51/33/96/1130513396.db2.gz KIOFHDGUUGMXFK-GFCCVEGCSA-N -1 1 287.334 3.657 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccncc1 ZINC000679642691 1130548123 /nfs/dbraw/zinc/54/81/23/1130548123.db2.gz BKQSZAARTRCACT-JTQLQIEISA-N -1 1 290.750 3.573 20 0 CHADMM CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1O ZINC000813494542 1130770738 /nfs/dbraw/zinc/77/07/38/1130770738.db2.gz QMAZVPYLXSFTAR-UHFFFAOYSA-N -1 1 291.734 3.566 20 0 CHADMM Cn1ccc2c1ccnc2-c1cc(Cl)ccc1[O-] ZINC001245049273 1130772280 /nfs/dbraw/zinc/77/22/80/1130772280.db2.gz MQGIYNKHFVVOJR-UHFFFAOYSA-N -1 1 258.708 3.599 20 0 CHADMM CC(C)c1cc(-c2cc(Cl)ccc2[O-])nc(N(C)C)n1 ZINC001245048891 1130772559 /nfs/dbraw/zinc/77/25/59/1130772559.db2.gz BSOBTADLXFZGMY-UHFFFAOYSA-N -1 1 291.782 3.692 20 0 CHADMM Cc1noc(C2CC2)c1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000784046478 1130871974 /nfs/dbraw/zinc/87/19/74/1130871974.db2.gz BUNQJMSXIUHMQI-UHFFFAOYSA-N -1 1 296.248 3.530 20 0 CHADMM Cc1nc2sccc2c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236388990 1130925224 /nfs/dbraw/zinc/92/52/24/1130925224.db2.gz DEEKHWDNUGIUBT-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3ccccc3)cnn2)c1[O-] ZINC001236389535 1130925574 /nfs/dbraw/zinc/92/55/74/1130925574.db2.gz AORVGTVWNSJRGI-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1ccc(F)c(-c2cccc(OC(C)C)n2)c1[O-] ZINC001236390984 1130925642 /nfs/dbraw/zinc/92/56/42/1130925642.db2.gz HJEHBSZSWHHLHT-UHFFFAOYSA-N -1 1 261.296 3.689 20 0 CHADMM Cc1cc(Cl)nc(CNCc2cccc([O-])c2Cl)c1 ZINC000815139507 1130966110 /nfs/dbraw/zinc/96/61/10/1130966110.db2.gz IEPLKNHCVKDUAV-UHFFFAOYSA-N -1 1 297.185 3.692 20 0 CHADMM CC1(C)CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238144625 1131174262 /nfs/dbraw/zinc/17/42/62/1131174262.db2.gz XMPRLRZXHSMHJD-UHFFFAOYSA-N -1 1 257.736 3.559 20 0 CHADMM C[C@@H]1[C@@H](C)CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238153145 1131176952 /nfs/dbraw/zinc/17/69/52/1131176952.db2.gz XNJJMIGRZYSQGL-VHSXEESVSA-N -1 1 271.763 3.805 20 0 CHADMM Cc1ccc([C@@H](NC(=O)c2c([O-])cccc2F)C2CC2)cc1 ZINC001135984681 1131179608 /nfs/dbraw/zinc/17/96/08/1131179608.db2.gz IPZKTCGCZANFAC-QGZVFWFLSA-N -1 1 299.345 3.721 20 0 CHADMM [O-]c1ccc(F)c(-c2ccc3cccnc3n2)c1Cl ZINC001245828421 1131199035 /nfs/dbraw/zinc/19/90/35/1131199035.db2.gz ULWRXHFUVHVPDD-UHFFFAOYSA-N -1 1 274.682 3.795 20 0 CHADMM [O-]c1ccc(F)c(-c2ncnc3cc(F)ccc32)c1Cl ZINC001245828975 1131199954 /nfs/dbraw/zinc/19/99/54/1131199954.db2.gz ZXDJHGXYWYCJSB-UHFFFAOYSA-N -1 1 292.672 3.934 20 0 CHADMM CCC1(CC)CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC001139738679 1131633749 /nfs/dbraw/zinc/63/37/49/1131633749.db2.gz BIMXVHOKWHHORV-UHFFFAOYSA-N -1 1 290.407 3.574 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144646590 1131674065 /nfs/dbraw/zinc/67/40/65/1131674065.db2.gz CLYNWIAIPYICRT-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM Cc1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144665438 1131677123 /nfs/dbraw/zinc/67/71/23/1131677123.db2.gz AWYOLTMVFRIJPW-UHFFFAOYSA-N -1 1 277.314 3.611 20 0 CHADMM Cc1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cc1C ZINC001144659493 1131679512 /nfs/dbraw/zinc/67/95/12/1131679512.db2.gz KPBOQMQDYCYANQ-UHFFFAOYSA-N -1 1 291.341 3.919 20 0 CHADMM CCN(Cc1ccncc1[O-])Cc1c(F)cccc1Cl ZINC001140280611 1131687554 /nfs/dbraw/zinc/68/75/54/1131687554.db2.gz MFVGCHJMODXLTF-UHFFFAOYSA-N -1 1 294.757 3.602 20 0 CHADMM C/C(=C\C(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000834822461 1131707054 /nfs/dbraw/zinc/70/70/54/1131707054.db2.gz OJAUJOSONNDLQG-JXMROGBWSA-N -1 1 281.783 3.654 20 0 CHADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000834826481 1131707785 /nfs/dbraw/zinc/70/77/85/1131707785.db2.gz QVBADIJEITUILX-UHFFFAOYSA-N -1 1 296.798 3.520 20 0 CHADMM O=C(C=C1CCCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834833764 1131709112 /nfs/dbraw/zinc/70/91/12/1131709112.db2.gz LFSWKSUWHDAOJU-UHFFFAOYSA-N -1 1 279.767 3.552 20 0 CHADMM C[C@H]1CC(Oc2[n-]c(=S)nc3cnccc32)C[C@H](C)C1 ZINC001227881487 1131757435 /nfs/dbraw/zinc/75/74/35/1131757435.db2.gz MLQKGTISJMSUNK-NXEZZACHSA-N -1 1 289.404 3.891 20 0 CHADMM S=c1nc2cnccc2c(O[C@@H]2CCc3ccccc32)[n-]1 ZINC001227880795 1131757853 /nfs/dbraw/zinc/75/78/53/1131757853.db2.gz FFUKARDMWFNYIZ-CQSZACIVSA-N -1 1 295.367 3.754 20 0 CHADMM C[C@@H]1CC[C@@H](C)[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227881331 1131757886 /nfs/dbraw/zinc/75/78/86/1131757886.db2.gz LMOVTVBFBXOVKS-BREBYQMCSA-N -1 1 289.404 3.891 20 0 CHADMM C[C@@H]1CCC[C@@H](Oc2[n-]c(=S)nc3cnccc32)[C@@H]1C ZINC001227885695 1131759169 /nfs/dbraw/zinc/75/91/69/1131759169.db2.gz OALQARYFSNDHFI-GIPNMCIBSA-N -1 1 289.404 3.891 20 0 CHADMM C[C@H]1CC[C@@](C)(CNC(=O)c2ccc(F)c([O-])c2)C1(C)C ZINC001146571014 1131792484 /nfs/dbraw/zinc/79/24/84/1131792484.db2.gz WFGNSPRHLARKTM-GTNSWQLSSA-N -1 1 293.382 3.724 20 0 CHADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001147538512 1131827927 /nfs/dbraw/zinc/82/79/27/1131827927.db2.gz OYSMVCQLHUYYJH-FZMZJTMJSA-N -1 1 279.355 3.572 20 0 CHADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC001148388592 1131852534 /nfs/dbraw/zinc/85/25/34/1131852534.db2.gz UFAKFZKEFZTSDT-JSGCOSHPSA-N -1 1 293.794 3.744 20 0 CHADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)c1nccs1 ZINC001228766942 1131952322 /nfs/dbraw/zinc/95/23/22/1131952322.db2.gz XQXLVXBRUZVQBR-MRVPVSSYSA-N -1 1 289.385 3.515 20 0 CHADMM Oc1c(F)cc(C[N@H+](Cc2ccccc2)C2CC2)cc1F ZINC001140991142 1131979869 /nfs/dbraw/zinc/97/98/69/1131979869.db2.gz ZEFFMZUWIGEKCE-UHFFFAOYSA-N -1 1 289.325 3.835 20 0 CHADMM CCC[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229135162 1132024634 /nfs/dbraw/zinc/02/46/34/1132024634.db2.gz LFXDLKUENIUALL-CYBMUJFWSA-N -1 1 276.332 3.702 20 0 CHADMM C[C@@H]1CC[C@@H](C)[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229133743 1132025139 /nfs/dbraw/zinc/02/51/39/1132025139.db2.gz BBDDCDYSJWHXPD-JTNHKYCSSA-N -1 1 288.343 3.702 20 0 CHADMM CCCC[C@@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229475578 1132072643 /nfs/dbraw/zinc/07/26/43/1132072643.db2.gz ZYEAFUMSHJLMQE-LLVKDONJSA-N -1 1 250.338 3.942 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1[C@H]2CCCCCC[C@H]12 ZINC001171638291 1132081897 /nfs/dbraw/zinc/08/18/97/1132081897.db2.gz VPDHAPLRODLBDY-QWRGUYRKSA-N -1 1 277.339 3.686 20 0 CHADMM C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[nH]1)C1=CC=C[CH]1 ZINC001231047800 1132248222 /nfs/dbraw/zinc/24/82/22/1132248222.db2.gz CRRAATKFRWLMGE-SSDOTTSWSA-N -1 1 295.149 3.732 20 0 CHADMM Clc1cc2[n-]c(OC(C3CC3)C3CC3)nc2c(Cl)n1 ZINC001231050313 1132248271 /nfs/dbraw/zinc/24/82/71/1132248271.db2.gz RTJASPQXDRIXNW-UHFFFAOYSA-N -1 1 298.173 3.832 20 0 CHADMM Clc1cc2nc(OC(C3CC3)C3CC3)[n-]c2c(Cl)n1 ZINC001231050313 1132248279 /nfs/dbraw/zinc/24/82/79/1132248279.db2.gz RTJASPQXDRIXNW-UHFFFAOYSA-N -1 1 298.173 3.832 20 0 CHADMM CCCC[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200521 1132271178 /nfs/dbraw/zinc/27/11/78/1132271178.db2.gz PMCUQCNXBLPKNG-GFCCVEGCSA-N -1 1 272.348 3.807 20 0 CHADMM CC1CCC(Oc2cccnc2-c2ncccc2[O-])CC1 ZINC001231200504 1132271597 /nfs/dbraw/zinc/27/15/97/1132271597.db2.gz OZLHJZFTZCJESM-UHFFFAOYSA-N -1 1 284.359 3.807 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cccc(CCO)c1 ZINC001203117403 1132319858 /nfs/dbraw/zinc/31/98/58/1132319858.db2.gz QTDCRKCBMQDBCT-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM [O-]c1cccc(CN2CCC[C@@H]2c2nccs2)c1Cl ZINC001232789125 1132521356 /nfs/dbraw/zinc/52/13/56/1132521356.db2.gz WKRIQEWTEFCGMO-LLVKDONJSA-N -1 1 294.807 3.839 20 0 CHADMM Cc1ccc(CN(C)Cc2ccc(F)c([O-])c2F)cc1C ZINC001232939156 1132543724 /nfs/dbraw/zinc/54/37/24/1132543724.db2.gz GVOPBFFUZUUQCB-UHFFFAOYSA-N -1 1 291.341 3.919 20 0 CHADMM CCN(Cc1ccc(F)cc1)Cc1ccc(F)c([O-])c1F ZINC001232937202 1132544995 /nfs/dbraw/zinc/54/49/95/1132544995.db2.gz JUUDZSLZUTZFPV-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC001150734290 1132559131 /nfs/dbraw/zinc/55/91/31/1132559131.db2.gz LHHSSRAOBPPJOX-CYBMUJFWSA-N -1 1 293.382 3.962 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c(F)c1 ZINC001173867063 1132569317 /nfs/dbraw/zinc/56/93/17/1132569317.db2.gz BMVFNDMYGYJNIF-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CCc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001173868329 1132570591 /nfs/dbraw/zinc/57/05/91/1132570591.db2.gz OBRVJHLWYGDQTO-UHFFFAOYSA-N -1 1 281.311 3.805 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c(F)c1 ZINC001173869637 1132571778 /nfs/dbraw/zinc/57/17/78/1132571778.db2.gz QOTANBDKFUBHDS-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cccc2c1CCCC2 ZINC001151779874 1132574260 /nfs/dbraw/zinc/57/42/60/1132574260.db2.gz PQTFGEYBFFIZGN-UHFFFAOYSA-N -1 1 285.318 3.662 20 0 CHADMM O=C(Cc1ccc(C2CCC2)cc1)Nc1cccc(F)c1[O-] ZINC001151779729 1132574755 /nfs/dbraw/zinc/57/47/55/1132574755.db2.gz LBEFEQJUQQLXKG-UHFFFAOYSA-N -1 1 299.345 3.980 20 0 CHADMM CS[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001151772795 1132574828 /nfs/dbraw/zinc/57/48/28/1132574828.db2.gz UUEYOSWVPCOZSC-CQSZACIVSA-N -1 1 291.347 3.574 20 0 CHADMM CC(=O)Nc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001173832017 1132586671 /nfs/dbraw/zinc/58/66/71/1132586671.db2.gz QCOVVWOVSHPYQJ-UHFFFAOYSA-N -1 1 294.713 3.887 20 0 CHADMM COc1cccc([O-])c1C(=O)Nc1ccc(C2CC2)cc1 ZINC001152846619 1132587969 /nfs/dbraw/zinc/58/79/69/1132587969.db2.gz SHMVVKUHGOXMOY-UHFFFAOYSA-N -1 1 283.327 3.531 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c([O-])ccc2ccccc21 ZINC001153498790 1132594870 /nfs/dbraw/zinc/59/48/70/1132594870.db2.gz SORXTWAMSZCWHI-CHWSQXEVSA-N -1 1 283.371 3.949 20 0 CHADMM C[C@H]1CN(C(=O)c2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001153506396 1132595109 /nfs/dbraw/zinc/59/51/09/1132595109.db2.gz UHADDNRENQCFDJ-GFCCVEGCSA-N -1 1 281.355 3.560 20 0 CHADMM CC(=O)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001173898183 1132602638 /nfs/dbraw/zinc/60/26/38/1132602638.db2.gz GGZWSSYIGKDXAQ-UHFFFAOYSA-N -1 1 293.326 3.524 20 0 CHADMM COc1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001173957439 1132632040 /nfs/dbraw/zinc/63/20/40/1132632040.db2.gz KMARATQRXFMMTC-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cc1ccc2ccc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c([O-])c2n1 ZINC001155651521 1132662433 /nfs/dbraw/zinc/66/24/33/1132662433.db2.gz FSCYPJKAXSBDNH-STQMWFEESA-N -1 1 298.386 3.652 20 0 CHADMM COc1ccc(C)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001173987572 1132665174 /nfs/dbraw/zinc/66/51/74/1132665174.db2.gz GCCSIBFLYVSCCQ-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COCc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001174105882 1132723337 /nfs/dbraw/zinc/72/33/37/1132723337.db2.gz DEOGRFGNVZOAFW-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM Cc1ccncc1Nc1ccc(F)c(Br)c1[O-] ZINC001174118085 1132731919 /nfs/dbraw/zinc/73/19/19/1132731919.db2.gz QGJGHLOOJLRCGH-UHFFFAOYSA-N -1 1 297.127 3.741 20 0 CHADMM C[C@@H](Cc1ccco1)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157899924 1132755421 /nfs/dbraw/zinc/75/54/21/1132755421.db2.gz OBVZFMNTZGJADX-QMMMGPOBSA-N -1 1 297.713 3.595 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc(-n3cccn3)c2)cc1F ZINC001174303050 1132781129 /nfs/dbraw/zinc/78/11/29/1132781129.db2.gz KKTYJMIWGHVSLK-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM O=C(NC[C@@H]1CCC=CCCC1)c1cc(Cl)ccc1[O-] ZINC001158912616 1132797266 /nfs/dbraw/zinc/79/72/66/1132797266.db2.gz DUZOHNJLKHRIRZ-GFCCVEGCSA-N -1 1 293.794 3.912 20 0 CHADMM CC(C)(O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174407291 1132845592 /nfs/dbraw/zinc/84/55/92/1132845592.db2.gz LNHDCHYWHVXYNO-UHFFFAOYSA-N -1 1 279.286 3.641 20 0 CHADMM Cc1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174527854 1132888186 /nfs/dbraw/zinc/88/81/86/1132888186.db2.gz QUJVMBPVTYQBAI-UHFFFAOYSA-N -1 1 259.240 3.521 20 0 CHADMM Cc1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174530355 1132893179 /nfs/dbraw/zinc/89/31/79/1132893179.db2.gz HBKLSIGPIKYQKT-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc(-c3cc[nH]n3)c2)cc1F ZINC001174509426 1132906914 /nfs/dbraw/zinc/90/69/14/1132906914.db2.gz ROTVMYSIXCOYJP-UHFFFAOYSA-N -1 1 287.269 3.804 20 0 CHADMM Cn1ccc2ccc(Nc3cc([O-])c(F)c(F)c3)cc21 ZINC001174517136 1132909665 /nfs/dbraw/zinc/90/96/65/1132909665.db2.gz JTYQRRKZMXKHSG-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001160888638 1132986109 /nfs/dbraw/zinc/98/61/09/1132986109.db2.gz SEYHHWWGWOFQAE-KZULUSFZSA-N -1 1 298.386 3.639 20 0 CHADMM CC1(C)[C@H](C(=O)Nc2ccc(F)cc2[O-])[C@H]1c1ccccc1 ZINC001161046818 1132991917 /nfs/dbraw/zinc/99/19/17/1132991917.db2.gz UMUYQJGYCYVEDV-CVEARBPZSA-N -1 1 299.345 3.910 20 0 CHADMM O=c1[nH]cccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001206463937 1133705679 /nfs/dbraw/zinc/70/56/79/1133705679.db2.gz JPPVUZOXNBUNDY-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2c(c1)OCCCO2 ZINC001210006067 1134120705 /nfs/dbraw/zinc/12/07/05/1134120705.db2.gz DJTOYZRJRQUSNS-UHFFFAOYSA-N -1 1 293.269 3.575 20 0 CHADMM [O-]c1cc(NC2=CCC(F)(F)CC2)cc(F)c1F ZINC001210034585 1134128261 /nfs/dbraw/zinc/12/82/61/1134128261.db2.gz VNIGJBPEJLSKRG-UHFFFAOYSA-N -1 1 261.218 3.785 20 0 CHADMM COc1ccc(C(C)=O)cc1Nc1ccc([O-])c(F)c1F ZINC001210078206 1134142126 /nfs/dbraw/zinc/14/21/26/1134142126.db2.gz NEJHZSWEIGOGSO-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM c1coc(-c2nnc([N-]c3ccccc3OC3CC3)o2)c1 ZINC001210835725 1134306944 /nfs/dbraw/zinc/30/69/44/1134306944.db2.gz XUZAUXMBYCKPAZ-UHFFFAOYSA-N -1 1 283.287 3.614 20 0 CHADMM Cc1cccc2ncc(Nc3cccc([S-])c3)n21 ZINC001210946492 1134334908 /nfs/dbraw/zinc/33/49/08/1134334908.db2.gz NEZVZMIJSJGHSQ-UHFFFAOYSA-N -1 1 255.346 3.675 20 0 CHADMM CCOC(=O)c1c([N-]c2nccs2)sc2c1CCC2 ZINC001210989637 1134343716 /nfs/dbraw/zinc/34/37/16/1134343716.db2.gz LUZMLBNNVOBVSI-UHFFFAOYSA-N -1 1 294.401 3.614 20 0 CHADMM CCOc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001211052489 1134357232 /nfs/dbraw/zinc/35/72/32/1134357232.db2.gz UKBLIUWBCJVMQH-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COc1c(F)cc(-c2cc(F)c([O-])cc2F)cc1F ZINC001211338397 1134410052 /nfs/dbraw/zinc/41/00/52/1134410052.db2.gz DMTKTWPPEHTCKU-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM Cc1cc(-c2cc(F)c([O-])cc2F)c(F)cc1F ZINC001211338396 1134410216 /nfs/dbraw/zinc/41/02/16/1134410216.db2.gz DMKFWLKCJBXMRT-UHFFFAOYSA-N -1 1 256.198 3.924 20 0 CHADMM CC(=O)n1ccc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211350906 1134411506 /nfs/dbraw/zinc/41/15/06/1134411506.db2.gz YBMDLNMZATZDPL-UHFFFAOYSA-N -1 1 287.265 3.952 20 0 CHADMM COC(=O)Nc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352731 1134411526 /nfs/dbraw/zinc/41/15/26/1134411526.db2.gz OFXKAXNMORDFMR-UHFFFAOYSA-N -1 1 279.242 3.516 20 0 CHADMM CCc1cc(NC(C)=O)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352975 1134411675 /nfs/dbraw/zinc/41/16/75/1134411675.db2.gz PPWIFCNQYSQORQ-UHFFFAOYSA-N -1 1 291.297 3.858 20 0 CHADMM Cn1cncc1-c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211360265 1134412340 /nfs/dbraw/zinc/41/23/40/1134412340.db2.gz QOBDHRYNBURSAX-UHFFFAOYSA-N -1 1 286.281 3.738 20 0 CHADMM COCc1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001211360894 1134412565 /nfs/dbraw/zinc/41/25/65/1134412565.db2.gz ZEOCQDOANCAYGA-UHFFFAOYSA-N -1 1 268.234 3.623 20 0 CHADMM Cn1cncc1-c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211359469 1134412942 /nfs/dbraw/zinc/41/29/42/1134412942.db2.gz HWFZICKTCDZQLB-UHFFFAOYSA-N -1 1 286.281 3.738 20 0 CHADMM COc1ccc2nccc(-c3cc(F)c([O-])cc3F)c2c1 ZINC001211360414 1134412966 /nfs/dbraw/zinc/41/29/66/1134412966.db2.gz UHJWDEGDDVOKNW-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM O=C1CCc2c1cccc2Nc1cc(F)c([O-])c(F)c1 ZINC001213381843 1134446134 /nfs/dbraw/zinc/44/61/34/1134446134.db2.gz KKLLSGHFZRCQLT-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CCc1ccc(OC)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213388807 1134446152 /nfs/dbraw/zinc/44/61/52/1134446152.db2.gz NBBNUTWLSXKESM-UHFFFAOYSA-N -1 1 279.286 3.985 20 0 CHADMM COCc1ccc(C)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001213573835 1134464771 /nfs/dbraw/zinc/46/47/71/1134464771.db2.gz IRIKOHQBNTWYBE-UHFFFAOYSA-N -1 1 278.739 3.639 20 0 CHADMM COc1cc(F)c([N-]c2noc(C(C)(C)C)n2)cc1Cl ZINC001214058361 1134506693 /nfs/dbraw/zinc/50/66/93/1134506693.db2.gz RIWZEKAFKIXYMJ-UHFFFAOYSA-N -1 1 299.733 3.912 20 0 CHADMM Cc1ncc(Nc2cc(F)c([O-])c(Cl)c2)s1 ZINC001214482957 1134542155 /nfs/dbraw/zinc/54/21/55/1134542155.db2.gz WTSURZHNUHALRP-UHFFFAOYSA-N -1 1 258.705 3.693 20 0 CHADMM Cn1nc(C(C)(C)C)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482779 1134542249 /nfs/dbraw/zinc/54/22/49/1134542249.db2.gz NGKPUHUMFWJXNR-UHFFFAOYSA-N -1 1 297.761 3.959 20 0 CHADMM CN(c1cc(F)c([O-])c(Cl)c1)c1ccccc1N ZINC001214488645 1134542374 /nfs/dbraw/zinc/54/23/74/1134542374.db2.gz JIHLXLBOMBZRDX-UHFFFAOYSA-N -1 1 266.703 3.535 20 0 CHADMM Cc1nc(Cl)ncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482885 1134542746 /nfs/dbraw/zinc/54/27/46/1134542746.db2.gz TXRIXNAOPWDVIC-UHFFFAOYSA-N -1 1 288.109 3.680 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(Cl)nc2)cc1Cl ZINC001214480168 1134542794 /nfs/dbraw/zinc/54/27/94/1134542794.db2.gz NCGSSRXDGMUXIA-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cn1ncc2c1cccc2Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488842 1134543281 /nfs/dbraw/zinc/54/32/81/1134543281.db2.gz NMXGCWPNFADVTE-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM CCOc1ccc(N)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489663 1134544443 /nfs/dbraw/zinc/54/44/43/1134544443.db2.gz FVDPXWXRZVSRIS-UHFFFAOYSA-N -1 1 296.729 3.909 20 0 CHADMM COC(=O)c1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489291 1134544695 /nfs/dbraw/zinc/54/46/95/1134544695.db2.gz ALFAXRKMUUSKMA-UHFFFAOYSA-N -1 1 295.697 3.715 20 0 CHADMM CC(=O)Oc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214492336 1134544733 /nfs/dbraw/zinc/54/47/33/1134544733.db2.gz ZIAICMHFFBGVHR-UHFFFAOYSA-N -1 1 295.697 3.854 20 0 CHADMM COc1cc(O)ccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491573 1134544778 /nfs/dbraw/zinc/54/47/78/1134544778.db2.gz CVCVHFORUYVFBL-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM CN(c1cccc(N)c1)c1cc(F)c([O-])c(Cl)c1 ZINC001214494346 1134544940 /nfs/dbraw/zinc/54/49/40/1134544940.db2.gz NROFTGKDLZBTPM-UHFFFAOYSA-N -1 1 266.703 3.535 20 0 CHADMM COc1c(C)ccc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001214534753 1134547835 /nfs/dbraw/zinc/54/78/35/1134547835.db2.gz RBFWURGGOSIGAZ-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Nc1cccc(C(=S)Nc2c(F)c([O-])ccc2Cl)c1 ZINC001214563725 1134551839 /nfs/dbraw/zinc/55/18/39/1134551839.db2.gz PKMGTDKVHGNFJO-UHFFFAOYSA-N -1 1 296.754 3.555 20 0 CHADMM COc1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1OC ZINC001214705069 1134566665 /nfs/dbraw/zinc/56/66/65/1134566665.db2.gz NQQYEHFJTSCHFX-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM CC(=O)c1cc(Nc2ccc(F)c(F)c2[O-])cs1 ZINC001214786925 1134572436 /nfs/dbraw/zinc/57/24/36/1134572436.db2.gz FLKBGMKGNYGKSC-UHFFFAOYSA-N -1 1 269.272 3.678 20 0 CHADMM Cc1cc(CO)cc(C)c1Nc1cc(F)c([O-])cc1F ZINC001214959143 1134587215 /nfs/dbraw/zinc/58/72/15/1134587215.db2.gz BJCKZBYGHOOIIS-UHFFFAOYSA-N -1 1 279.286 3.523 20 0 CHADMM CCc1cccc(-c2noc(-c3c([O-])cccc3OC)n2)c1 ZINC001215322193 1134618104 /nfs/dbraw/zinc/61/81/04/1134618104.db2.gz AZGDYECZOWUSFW-UHFFFAOYSA-N -1 1 296.326 3.680 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(C(C)=O)c1 ZINC001215576987 1134646286 /nfs/dbraw/zinc/64/62/86/1134646286.db2.gz PVZUAXPPNNCZML-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc3occc3c2)no1 ZINC001215769503 1134682246 /nfs/dbraw/zinc/68/22/46/1134682246.db2.gz HVOOAUDKCCAXCN-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM [O-]c1cccc(-c2nc(-c3cccc4ccoc43)no2)c1F ZINC001215989027 1134742994 /nfs/dbraw/zinc/74/29/94/1134742994.db2.gz OTYINWGLJXMUOS-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM [O-]c1cc(Nc2ccc(Cl)c3c[nH]nc32)cc(F)c1F ZINC001216058593 1134763293 /nfs/dbraw/zinc/76/32/93/1134763293.db2.gz YTVVSXRMBCRZQJ-UHFFFAOYSA-N -1 1 295.676 3.944 20 0 CHADMM Cc1cc(Cl)c(N)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001216092421 1134774219 /nfs/dbraw/zinc/77/42/19/1134774219.db2.gz KXTTXLNPUXHYQV-UHFFFAOYSA-N -1 1 284.146 3.728 20 0 CHADMM Cc1c(O)cccc1Nc1cc([O-])c(Cl)cc1F ZINC001216320545 1134852664 /nfs/dbraw/zinc/85/26/64/1134852664.db2.gz BVCPJMSUNGQCQG-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM CCn1ncc2cc(Nc3ccnc(Cl)c3[O-])ccc21 ZINC001216590167 1134925931 /nfs/dbraw/zinc/92/59/31/1134925931.db2.gz WVWNCEBNEPKPKK-UHFFFAOYSA-N -1 1 288.738 3.554 20 0 CHADMM [O-]c1cccnc1-c1nc(-c2cccc3ccccc32)no1 ZINC000315527558 1135156237 /nfs/dbraw/zinc/15/62/37/1135156237.db2.gz AHCSSIQUNFIUER-UHFFFAOYSA-N -1 1 289.294 3.657 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3c(c2)NC(=S)C3)cc1F ZINC001222082423 1135189969 /nfs/dbraw/zinc/18/99/69/1135189969.db2.gz DFSLZPWOZBEFKW-UHFFFAOYSA-N -1 1 277.295 3.633 20 0 CHADMM [O-]c1cc(F)c(-c2ccnc(OCC3CCC3)c2)cc1F ZINC001222083301 1135190113 /nfs/dbraw/zinc/19/01/13/1135190113.db2.gz YYKRDBOADBBOLD-UHFFFAOYSA-N -1 1 291.297 3.911 20 0 CHADMM Cc1nc2cc(-c3c(F)cc(C(=O)[O-])cc3F)ccc2[nH]1 ZINC001222403119 1135236909 /nfs/dbraw/zinc/23/69/09/1135236909.db2.gz LTZPQQIKRQYBAU-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM CC(C)C[C@@H](C)C[C@H](CC(C)C)OCC[P@](=O)([O-])O ZINC001224607724 1135461601 /nfs/dbraw/zinc/46/16/01/1135461601.db2.gz UVYIJWCRDNUMLD-KGLIPLIRSA-N -1 1 294.372 3.668 20 0 CHADMM CCCC(=O)[C@H](CCC)Oc1cc([O-])ccc1C(C)=O ZINC001225616078 1135596234 /nfs/dbraw/zinc/59/62/34/1135596234.db2.gz FTLVEQPJZJSBQY-HNNXBMFYSA-N -1 1 278.348 3.512 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001225619531 1135596945 /nfs/dbraw/zinc/59/69/45/1135596945.db2.gz WFDUFDRCADUQEW-JRPNMDOOSA-N -1 1 262.349 3.798 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCc2ccc(C)cc21 ZINC001225674016 1135606915 /nfs/dbraw/zinc/60/69/15/1135606915.db2.gz BEFOAVHEBMZBLS-INIZCTEOSA-N -1 1 298.338 3.675 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001225673923 1135607125 /nfs/dbraw/zinc/60/71/25/1135607125.db2.gz BSQRQOBNMHHMLT-IMSIIYSGSA-N -1 1 278.348 3.504 20 0 CHADMM CCCC[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674111 1135607207 /nfs/dbraw/zinc/60/72/07/1135607207.db2.gz CDEIXRKDFJNSNR-GFCCVEGCSA-N -1 1 266.337 3.648 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1cccc(F)c1 ZINC001225678351 1135607697 /nfs/dbraw/zinc/60/76/97/1135607697.db2.gz HQMBVYMJQVKXKD-JTQLQIEISA-N -1 1 290.290 3.580 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)CCCC(C)C ZINC001225679767 1135607885 /nfs/dbraw/zinc/60/78/85/1135607885.db2.gz SECBKAZQGQSZEH-LLVKDONJSA-N -1 1 280.364 3.894 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001225678606 1135607939 /nfs/dbraw/zinc/60/79/39/1135607939.db2.gz JTLGCOABVMSQMI-ISTVAULSSA-N -1 1 278.348 3.504 20 0 CHADMM CC[C@@H](C)[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226486609 1135702936 /nfs/dbraw/zinc/70/29/36/1135702936.db2.gz SKVOCCAVTWNEEB-MWLCHTKSSA-N -1 1 276.332 3.620 20 0 CHADMM CCC[C@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484314 1135703372 /nfs/dbraw/zinc/70/33/72/1135703372.db2.gz CSIHDAAMXIJRND-LBPRGKRZSA-N -1 1 276.332 3.765 20 0 CHADMM Cc1ccccc1[C@H](Oc1cnc[n-]c1=O)c1ccccc1 ZINC001227046084 1135778033 /nfs/dbraw/zinc/77/80/33/1135778033.db2.gz WAAGHSJWRLEPGI-QGZVFWFLSA-N -1 1 292.338 3.659 20 0 CHADMM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)nc(C)c1Cl)CC2 ZINC001227116413 1135788005 /nfs/dbraw/zinc/78/80/05/1135788005.db2.gz LXFXADHXNRGJOD-GFCCVEGCSA-N -1 1 290.750 3.519 20 0 CHADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC(C)(C)C1 ZINC001227172371 1135794836 /nfs/dbraw/zinc/79/48/36/1135794836.db2.gz OEKKBDAJSXGGGH-CYBMUJFWSA-N -1 1 292.375 3.569 20 0 CHADMM CCC[C@H](C)[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172214 1135794842 /nfs/dbraw/zinc/79/48/42/1135794842.db2.gz MJVINESNPJSAQU-LRDDRELGSA-N -1 1 294.391 3.815 20 0 CHADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000008699011 230370693 /nfs/dbraw/zinc/37/06/93/230370693.db2.gz AOIXFODDSPISJL-GFCCVEGCSA-N -1 1 288.174 3.605 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC[C@@H]1C1CC1 ZINC000574085777 334991159 /nfs/dbraw/zinc/99/11/59/334991159.db2.gz AXTWXGKSIYGLIW-MNOVXSKESA-N -1 1 295.329 3.825 20 0 CHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007052908 170264197 /nfs/dbraw/zinc/26/41/97/170264197.db2.gz BJJVYZDMFXYOAO-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000035219420 172060278 /nfs/dbraw/zinc/06/02/78/172060278.db2.gz WREGUDQSGZLRPP-SMDDNHRTSA-N 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WHNNMFBSJSFQGB-LBPRGKRZSA-N -1 1 299.773 3.698 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)c(C)c2)o1 ZINC000426770314 260301983 /nfs/dbraw/zinc/30/19/83/260301983.db2.gz QSCZOAUEEYNYBJ-OAHLLOKOSA-N -1 1 287.359 3.510 20 0 CHADMM O=C([O-])C[C@@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426770802 260304109 /nfs/dbraw/zinc/30/41/09/260304109.db2.gz WCIUUUQDVQCIIJ-GFCCVEGCSA-N -1 1 295.791 3.707 20 0 CHADMM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2cccs2)cc1C ZINC000426787476 260536190 /nfs/dbraw/zinc/53/61/90/260536190.db2.gz FADNGVNFUNAQAY-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM CC(C)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000174378732 261184390 /nfs/dbraw/zinc/18/43/90/261184390.db2.gz IFMAOLDJHJDSHK-UHFFFAOYSA-N -1 1 281.783 3.554 20 0 CHADMM CSCc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000185075561 262300765 /nfs/dbraw/zinc/30/07/65/262300765.db2.gz LZLVBQBQLKGIBC-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM C[C@H]1CCCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000187092472 262378796 /nfs/dbraw/zinc/37/87/96/262378796.db2.gz ZZVVMPJTGWNCLK-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000412804715 262742871 /nfs/dbraw/zinc/74/28/71/262742871.db2.gz CQWKDJCHXATJQJ-ONGXEEELSA-N -1 1 297.345 3.615 20 0 CHADMM C[C@@H]1C[C@H]1c1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000414658456 263022794 /nfs/dbraw/zinc/02/27/94/263022794.db2.gz MVACXDJSSHZKTM-MRVWCRGKSA-N -1 1 293.407 3.772 20 0 CHADMM CCOc1cc(C(=O)N[C@@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000186917983 327705928 /nfs/dbraw/zinc/70/59/28/327705928.db2.gz ULNSNUYLZUNFDU-JTQLQIEISA-N -1 1 299.798 3.609 20 0 CHADMM Cc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000533970754 328029503 /nfs/dbraw/zinc/02/95/03/328029503.db2.gz SXWKXUUIJZNTHU-UHFFFAOYSA-N -1 1 287.334 3.719 20 0 CHADMM CCc1nc(S[C@@H](C)CC(C)C)[n-]c(=O)c1C ZINC000563441176 328064950 /nfs/dbraw/zinc/06/49/50/328064950.db2.gz XLZUHZISRSREQO-VIFPVBQESA-N -1 1 254.399 3.580 20 0 CHADMM Cc1nc(NC(=O)c2ccc(C(C)C)cc2[O-])sc1C 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CC(C)c1scnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000558552929 327105118 /nfs/dbraw/zinc/10/51/18/327105118.db2.gz IIRDDWIBVVOFAL-UHFFFAOYSA-N -1 1 296.779 3.878 20 0 CHADMM Cc1cc(CN(C)Cc2ccsc2C(=O)[O-])ccc1F ZINC000569462582 327181990 /nfs/dbraw/zinc/18/19/90/327181990.db2.gz FFVLRGPYCUJATA-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM COc1cc(C(=O)NCCCC(C)(C)C)cc(Cl)c1[O-] ZINC000526947193 328816411 /nfs/dbraw/zinc/81/64/11/328816411.db2.gz MAAKWPBVCCFPSA-UHFFFAOYSA-N -1 1 299.798 3.610 20 0 CHADMM C[C@@H](C1CCC1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000325287559 328823500 /nfs/dbraw/zinc/82/35/00/328823500.db2.gz RAQFJERSJVWKAQ-LBPRGKRZSA-N -1 1 283.371 3.806 20 0 CHADMM Cc1oc(CN2CCC[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC000582729884 329132028 /nfs/dbraw/zinc/13/20/28/329132028.db2.gz IREIEOHDMTXNIM-AWEZNQCLSA-N -1 1 291.372 3.685 20 0 CHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000402655171 332849581 /nfs/dbraw/zinc/84/95/81/332849581.db2.gz MGTOEPSLQQAUMF-CQSZACIVSA-N -1 1 295.382 3.974 20 0 CHADMM CCCC1(c2noc(-c3ccc(OC)cc3[O-])n2)CCC1 ZINC000420518413 329774594 /nfs/dbraw/zinc/77/45/94/329774594.db2.gz QWOGYASVHOSXBG-UHFFFAOYSA-N -1 1 288.347 3.673 20 0 CHADMM Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)c(F)c1 ZINC000445382562 329788378 /nfs/dbraw/zinc/78/83/78/329788378.db2.gz AEWTZMUHGFTRDJ-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CCOc1cc(-c2nc([C@H]3C[C@H]3C)no2)cc(Cl)c1[O-] ZINC000527488511 330251013 /nfs/dbraw/zinc/25/10/13/330251013.db2.gz AAJADWQKWVDUJA-APPZFPTMSA-N -1 1 294.738 3.618 20 0 CHADMM C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)[C@@H]1C(=O)[O-] ZINC000424425863 330351665 /nfs/dbraw/zinc/35/16/65/330351665.db2.gz ZYNDUVZOXTZFPG-DYVFJYSZSA-N -1 1 299.370 3.632 20 0 CHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)o1 ZINC000082192955 330353818 /nfs/dbraw/zinc/35/38/18/330353818.db2.gz KEGGMNHDLGJKIC-UHFFFAOYSA-N -1 1 265.696 3.508 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccs3)n2)c(Cl)c1 ZINC000445447331 330362489 /nfs/dbraw/zinc/36/24/89/330362489.db2.gz HGCMQJHYIZXYME-UHFFFAOYSA-N -1 1 278.720 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20 0 CHADMM C[C@H]1CC[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000162145053 1126766307 /nfs/dbraw/zinc/76/63/07/1126766307.db2.gz ZKADVXAOEKLLMI-RYUDHWBXSA-N -1 1 269.344 3.558 20 0 CHADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183608019 1126889742 /nfs/dbraw/zinc/88/97/42/1126889742.db2.gz ZZCIGIJZCCHNCF-CMPLNLGQSA-N -1 1 297.782 3.579 20 0 CHADMM Cc1ncc([N-]c2cc(-c3ccccc3O)no2)s1 ZINC001212130592 1126931993 /nfs/dbraw/zinc/93/19/93/1126931993.db2.gz YPIFMXUDCYNPLF-UHFFFAOYSA-N -1 1 273.317 3.556 20 0 CHADMM C[C@@H](C(=O)Nc1cccc([O-])c1Br)C1CCC1 ZINC000908706856 1127012702 /nfs/dbraw/zinc/01/27/02/1127012702.db2.gz FCMOTDKQKQDBNY-MRVPVSSYSA-N -1 1 298.180 3.529 20 0 CHADMM CC(C)C[C@@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909978640 1127042295 /nfs/dbraw/zinc/04/22/95/1127042295.db2.gz WCOVUHDJDFYINL-SECBINFHSA-N -1 1 271.307 3.681 20 0 CHADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC001299360483 1127147562 /nfs/dbraw/zinc/14/75/62/1127147562.db2.gz 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/nfs/dbraw/zinc/52/06/01/1127520601.db2.gz XUDQUOQUTPBARX-UHFFFAOYSA-N -1 1 298.298 3.929 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccsc1 ZINC000361154965 1127542852 /nfs/dbraw/zinc/54/28/52/1127542852.db2.gz SZFQFKCMWDLTNI-ZDUSSCGKSA-N -1 1 291.347 3.570 20 0 CHADMM O=C([O-])C[C@@H](NCc1ccccc1Cl)c1cccs1 ZINC000037087838 1127669408 /nfs/dbraw/zinc/66/94/08/1127669408.db2.gz AJNIVYGIEKNKRT-GFCCVEGCSA-N -1 1 295.791 3.707 20 0 CHADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000608366105 1127862706 /nfs/dbraw/zinc/86/27/06/1127862706.db2.gz NKPQNYHQMGNION-QWRGUYRKSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1ccccc1[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367209 1127863209 /nfs/dbraw/zinc/86/32/09/1127863209.db2.gz MVYQITDNNOQGRR-LBPRGKRZSA-N -1 1 287.334 3.972 20 0 CHADMM CCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCCC1 ZINC000509712318 1127905609 /nfs/dbraw/zinc/90/56/09/1127905609.db2.gz KHGLPOQBJWPCFF-DGCLKSJQSA-N -1 1 297.468 3.828 20 0 CHADMM Cc1cc(C)cc(N(C)C(=O)c2c(F)ccc([O-])c2F)c1 ZINC000539415788 1127922526 /nfs/dbraw/zinc/92/25/26/1127922526.db2.gz OAWKDRMUQQTZFK-UHFFFAOYSA-N -1 1 291.297 3.564 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2ccsc21 ZINC000467992791 1127986464 /nfs/dbraw/zinc/98/64/64/1127986464.db2.gz HYYIUSWYIJKZAY-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM Cc1cc2[nH]cnc2cc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205088117 1128094197 /nfs/dbraw/zinc/09/41/97/1128094197.db2.gz HWYLATRIYUGTPD-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000928789347 1128250137 /nfs/dbraw/zinc/25/01/37/1128250137.db2.gz NDYLUAMCBUTWTD-UHFFFAOYSA-N -1 1 298.264 3.776 20 0 CHADMM CCc1ccc(N(CC)C(=O)c2ccccc2[O-])cc1 ZINC000914516015 1128202954 /nfs/dbraw/zinc/20/29/54/1128202954.db2.gz CHOBCOZCFDKPLR-UHFFFAOYSA-N -1 1 269.344 3.621 20 0 CHADMM Cc1oc(CNCc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000232771305 1128277532 /nfs/dbraw/zinc/27/75/32/1128277532.db2.gz PSECZGOWIPYGGA-UHFFFAOYSA-N -1 1 287.359 3.699 20 0 CHADMM CC(C)c1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)CCC2 ZINC000763223688 1128383136 /nfs/dbraw/zinc/38/31/36/1128383136.db2.gz URIWOTUKYHTQJF-ZDUSSCGKSA-N -1 1 285.309 3.866 20 0 CHADMM CC(C)CC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC001630679622 1128426986 /nfs/dbraw/zinc/42/69/86/1128426986.db2.gz ACUSSTOKAHCZTR-UHFFFAOYSA-N -1 1 283.799 3.848 20 0 CHADMM CC[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000037915245 1128437091 /nfs/dbraw/zinc/43/70/91/1128437091.db2.gz APKNUTFJVQYLRB-CYBMUJFWSA-N -1 1 269.344 3.560 20 0 CHADMM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000129652471 1128546090 /nfs/dbraw/zinc/54/60/90/1128546090.db2.gz HPVGZJMCYNWVGA-JQWIXIFHSA-N -1 1 297.782 3.579 20 0 CHADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000129652287 1128546820 /nfs/dbraw/zinc/54/68/20/1128546820.db2.gz HPVGZJMCYNWVGA-PWSUYJOCSA-N -1 1 297.782 3.579 20 0 CHADMM C[C@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000920463114 1128682941 /nfs/dbraw/zinc/68/29/41/1128682941.db2.gz NVYMMXXHJYIRRY-QWRGUYRKSA-N -1 1 281.783 3.602 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1Cl ZINC000179949495 1117917098 /nfs/dbraw/zinc/91/70/98/1117917098.db2.gz MTGCDUPHOJKJLO-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM [O-]c1ccc(-c2noc(C(C3CC3)C3CC3)n2)c(Cl)c1 ZINC000579551437 1128751298 /nfs/dbraw/zinc/75/12/98/1128751298.db2.gz JZBMZHISFWZGCN-UHFFFAOYSA-N -1 1 290.750 3.999 20 0 CHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000075913933 1118072056 /nfs/dbraw/zinc/07/20/56/1118072056.db2.gz USSBDKSLQGFZBV-UHFFFAOYSA-N -1 1 273.307 3.709 20 0 CHADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397158223 1118078001 /nfs/dbraw/zinc/07/80/01/1118078001.db2.gz QEKPJWYKEPCERL-QAPCUYQASA-N -1 1 283.371 3.710 20 0 CHADMM Cc1cc(CN(Cc2cccs2)C2CC2)oc1C(=O)[O-] ZINC000049024476 1118095894 /nfs/dbraw/zinc/09/58/94/1118095894.db2.gz CMFUJSYOXNEGCG-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM COc1ccc(C)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001209839884 1118098217 /nfs/dbraw/zinc/09/82/17/1118098217.db2.gz ZFJHGSUBSAYZEL-UHFFFAOYSA-N -1 1 264.712 3.501 20 0 CHADMM CCOc1cc(-c2noc([C@@H]3C[C@H]3C)n2)cc(Cl)c1[O-] ZINC000683589432 1118204574 /nfs/dbraw/zinc/20/45/74/1118204574.db2.gz RMZUFZOANXFEMG-VXNVDRBHSA-N -1 1 294.738 3.618 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2cc[nH]c21 ZINC001210212060 1118205601 /nfs/dbraw/zinc/20/56/01/1118205601.db2.gz VWNGXYHZFSBGKV-UHFFFAOYSA-N -1 1 292.294 3.724 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000683593996 1118209194 /nfs/dbraw/zinc/20/91/94/1118209194.db2.gz SCBDPTQTDBRJIT-VIFPVBQESA-N -1 1 276.311 3.875 20 0 CHADMM CCCCCc1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000032531378 1118225966 /nfs/dbraw/zinc/22/59/66/1118225966.db2.gz DFUWRQDMDPGDRE-UHFFFAOYSA-N -1 1 299.783 3.770 20 0 CHADMM CC(C)[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000683668747 1118270321 /nfs/dbraw/zinc/27/03/21/1118270321.db2.gz ILRCTSASQNOJAP-CQSZACIVSA-N -1 1 299.345 3.931 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(F)c1Cl ZINC001210541790 1118320945 /nfs/dbraw/zinc/32/09/45/1118320945.db2.gz SCRGULMBANUIMB-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cc1cnc(-c2cccc(NC(=O)c3ccccc3[O-])c2)o1 ZINC000066809665 1118348284 /nfs/dbraw/zinc/34/82/84/1118348284.db2.gz KUKBPIKCMSZHKI-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CC34CCCC4)n2)c(F)c1 ZINC000580393615 1118443823 /nfs/dbraw/zinc/44/38/23/1118443823.db2.gz NLPKXEVQSFPRAC-LLVKDONJSA-N -1 1 274.295 3.629 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCCC4)n2)c(F)c1 ZINC000580393616 1118443966 /nfs/dbraw/zinc/44/39/66/1118443966.db2.gz NLPKXEVQSFPRAC-NSHDSACASA-N -1 1 274.295 3.629 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1CC1CCCC1 ZINC000655364021 1118469360 /nfs/dbraw/zinc/46/93/60/1118469360.db2.gz XPPUJOKHFWWHQM-CQSZACIVSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1cnc(SCCCc2ccccc2Cl)[n-]c1=O ZINC000580726453 1118496688 /nfs/dbraw/zinc/49/66/88/1118496688.db2.gz UIAJOYWACHYVJT-UHFFFAOYSA-N -1 1 294.807 3.869 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3ccncc32)cc1F ZINC001211339952 1118505305 /nfs/dbraw/zinc/50/53/05/1118505305.db2.gz QRRMKOGOAPLTIP-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1nc(-c2ccc(-c3cc(F)c([O-])cc3F)cc2)no1 ZINC001211339086 1118506075 /nfs/dbraw/zinc/50/60/75/1118506075.db2.gz KYHRPVDUFBWBJS-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM O=C(c1ncccc1[O-])N1CCCCC[C@H]1c1ccccc1 ZINC000123194465 1118508432 /nfs/dbraw/zinc/50/84/32/1118508432.db2.gz HAIJASKQOFHLDB-HNNXBMFYSA-N -1 1 296.370 3.545 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cc(C2CC2)cnc1F ZINC001215959158 1118654754 /nfs/dbraw/zinc/65/47/54/1118654754.db2.gz RKBLTTVLSZTQOQ-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM O=C(Nc1ccc2sccc2c1)c1cc(F)ccc1[O-] ZINC000132898268 1118760839 /nfs/dbraw/zinc/76/08/39/1118760839.db2.gz ARJFAQCDAMWKRW-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM CC[C@H](C)N(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000616978820 1128804812 /nfs/dbraw/zinc/80/48/12/1128804812.db2.gz HQEOUPXTLWPMNW-VIFPVBQESA-N -1 1 289.297 3.672 20 0 CHADMM CCc1nc(SC[C@@H](C)c2ccccc2)[n-]c(=O)c1C ZINC000657264958 1118944814 /nfs/dbraw/zinc/94/48/14/1118944814.db2.gz VMIVNZFYZSLDSG-LLVKDONJSA-N -1 1 288.416 3.949 20 0 CHADMM CCO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000866868225 1118947927 /nfs/dbraw/zinc/94/79/27/1118947927.db2.gz HFLOLLRAYIUFGN-AWEZNQCLSA-N -1 1 297.782 3.579 20 0 CHADMM O=c1nc(-c2ccc(C(F)(F)F)cc2)[n-]c2ccsc21 ZINC000117428429 1119163099 /nfs/dbraw/zinc/16/30/99/1119163099.db2.gz PWRFCQWCTNNJPS-UHFFFAOYSA-N -1 1 296.273 3.670 20 0 CHADMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000033816384 1119277386 /nfs/dbraw/zinc/27/73/86/1119277386.db2.gz JBCXYEWLIYAKDJ-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM C[C@@H](CC(=O)Nc1cccc(F)c1[O-])CC(C)(C)C ZINC000225971335 1119300092 /nfs/dbraw/zinc/30/00/92/1119300092.db2.gz ZQWOOJQEOOGIFZ-JTQLQIEISA-N -1 1 267.344 3.932 20 0 CHADMM Cc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1CO ZINC001211583160 1119364295 /nfs/dbraw/zinc/36/42/95/1119364295.db2.gz FAWQPRZJZYCLCX-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM Cc1ccccc1N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001167674563 1119491172 /nfs/dbraw/zinc/49/11/72/1119491172.db2.gz LKGSQDXVQJTVMZ-UHFFFAOYSA-N -1 1 289.762 3.560 20 0 CHADMM Cc1c([N-]c2nc(C3CC3)ns2)cnn1CCC(C)C ZINC000092687497 1119564439 /nfs/dbraw/zinc/56/44/39/1119564439.db2.gz LPGXIXQZCVKTFM-UHFFFAOYSA-N -1 1 291.424 3.710 20 0 CHADMM Cc1sc(/C=C/c2ccc([O-])c(F)c2)cc1C=O ZINC000755598207 1119577195 /nfs/dbraw/zinc/57/71/95/1119577195.db2.gz FZNZTEBUDILHBR-DUXPYHPUSA-N -1 1 262.305 3.884 20 0 CHADMM Cc1cc2cc(Nc3ccnc(Cl)c3[O-])ccc2[nH]1 ZINC001213790237 1119636995 /nfs/dbraw/zinc/63/69/95/1119636995.db2.gz ZEHUVPXAQPGVEF-UHFFFAOYSA-N -1 1 273.723 3.974 20 0 CHADMM Cc1cnc(NCc2c([O-])ccc(Cl)c2F)s1 ZINC000191519534 1119733661 /nfs/dbraw/zinc/73/36/61/1119733661.db2.gz AYRDCXUDFFMFMG-UHFFFAOYSA-N -1 1 272.732 3.562 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000584491759 1119806140 /nfs/dbraw/zinc/80/61/40/1119806140.db2.gz YWWLPXWAMLSTOL-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000612759334 1119821865 /nfs/dbraw/zinc/82/18/65/1119821865.db2.gz JHNADDDOLXHKCY-CQSZACIVSA-N -1 1 297.782 3.579 20 0 CHADMM O=C(CC1CCC(F)(F)CC1)Nc1cccc(F)c1[O-] ZINC000628959906 1128888454 /nfs/dbraw/zinc/88/84/54/1128888454.db2.gz FZFXDNVYVGFZQV-UHFFFAOYSA-N -1 1 287.281 3.685 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000628959767 1128888466 /nfs/dbraw/zinc/88/84/66/1128888466.db2.gz ABFBNMNXJGFVJB-UHFFFAOYSA-N -1 1 297.329 3.592 20 0 CHADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181850807 1120109969 /nfs/dbraw/zinc/10/99/69/1120109969.db2.gz VRIQKZFHRWFJTR-SNVBAGLBSA-N -1 1 291.297 3.504 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc(F)c(Cl)c1 ZINC000182139835 1120115233 /nfs/dbraw/zinc/11/52/33/1120115233.db2.gz GEISJLNONJAERA-UHFFFAOYSA-N -1 1 297.688 3.600 20 0 CHADMM CN(CCC1(C(=O)[O-])CCC1)Cc1c(F)cccc1Cl ZINC000903694176 1120131633 /nfs/dbraw/zinc/13/16/33/1120131633.db2.gz YNWDZTJLKXSNSM-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM COc1cc(C)c(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482596 1120244692 /nfs/dbraw/zinc/24/46/92/1120244692.db2.gz CXPRKBDFHPFCPJ-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCc2ccccc21 ZINC000677647651 1120253142 /nfs/dbraw/zinc/25/31/42/1120253142.db2.gz SWFOEESJNCGMHO-ZDUSSCGKSA-N -1 1 285.318 3.590 20 0 CHADMM O=c1c2c([n-]n1Cc1ccccc1Cl)CCCCC2 ZINC000104060687 1120277688 /nfs/dbraw/zinc/27/76/88/1120277688.db2.gz NDFAWNKLNOHHQY-LBPRGKRZSA-N -1 1 276.767 3.619 20 0 CHADMM [O-]c1c(F)cc(Nc2ccnn2CC2CCC2)cc1Cl ZINC001214486515 1120283429 /nfs/dbraw/zinc/28/34/29/1120283429.db2.gz LCTCEWCOZDXRBV-UHFFFAOYSA-N -1 1 295.745 3.925 20 0 CHADMM O=C([O-])c1coc(CNCc2ccc(C3CCC3)cc2)c1 ZINC000417534635 1120453738 /nfs/dbraw/zinc/45/37/38/1120453738.db2.gz AHNYDGHAYIMVRO-UHFFFAOYSA-N -1 1 285.343 3.535 20 0 CHADMM Cc1cncc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191541206 1128942131 /nfs/dbraw/zinc/94/21/31/1128942131.db2.gz PPJFKAPAJRZZAX-UHFFFAOYSA-N -1 1 266.703 3.500 20 0 CHADMM Cc1ccc(F)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174885519 1121060590 /nfs/dbraw/zinc/06/05/90/1121060590.db2.gz HNLZKFVVNYGZRC-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2ncccc21 ZINC001174906698 1121086354 /nfs/dbraw/zinc/08/63/54/1121086354.db2.gz UHCAIUHXSZLYFN-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM COc1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001175009376 1121131594 /nfs/dbraw/zinc/13/15/94/1121131594.db2.gz BZKZDGWCTTWWNK-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1F ZINC001175028142 1121149954 /nfs/dbraw/zinc/14/99/54/1121149954.db2.gz QSJBKENIOPQPQO-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1cccc(CNc2ccc3cn[nH]c3c2)c1Cl ZINC000380754386 1121203092 /nfs/dbraw/zinc/20/30/92/1121203092.db2.gz BTTHFOFZZKMENB-UHFFFAOYSA-N -1 1 273.723 3.534 20 0 CHADMM CCOc1ccc(OC)cc1Nc1cc(F)c([O-])cc1F ZINC001175213531 1121226953 /nfs/dbraw/zinc/22/69/53/1121226953.db2.gz INHRCADLDPOJHO-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM CCOc1cccc(Nc2cc(F)c([O-])cc2F)c1F ZINC001175238962 1121239921 /nfs/dbraw/zinc/23/99/21/1121239921.db2.gz LJKQXOLIQJOYOT-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1c(F)cccc1Nc1ccnc(Cl)c1[O-] ZINC001212535342 1121262705 /nfs/dbraw/zinc/26/27/05/1121262705.db2.gz RCESUOQJXQLQCY-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM COc1cc(Nc2c(F)ccc([O-])c2F)ccc1C(C)=O ZINC001175268257 1121269714 /nfs/dbraw/zinc/26/97/14/1121269714.db2.gz PJIOJJFNBFJOAA-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM CCc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175554108 1121384160 /nfs/dbraw/zinc/38/41/60/1121384160.db2.gz HVPDYYGWYPXPIO-UHFFFAOYSA-N -1 1 281.311 3.805 20 0 CHADMM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000676056268 1121400243 /nfs/dbraw/zinc/40/02/43/1121400243.db2.gz XAPORHZWPISGSF-LBPRGKRZSA-N -1 1 285.318 3.590 20 0 CHADMM Cc1[nH]nc2ccc(Nc3ccc([S-])cc3)cc12 ZINC001175700739 1121419356 /nfs/dbraw/zinc/41/93/56/1121419356.db2.gz VAIHLCNCLKKHCX-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Nc1nonc1[N-]c1ccc2sc3ccccc3c2c1 ZINC001175753040 1121452479 /nfs/dbraw/zinc/45/24/79/1121452479.db2.gz ZMHPVXFOOQIRLF-UHFFFAOYSA-N -1 1 282.328 3.763 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000676698256 1121455527 /nfs/dbraw/zinc/45/55/27/1121455527.db2.gz SEZIOBNRGAUXPD-ZJUUUORDSA-N -1 1 291.347 3.643 20 0 CHADMM [O-]c1cccc(CNC2(c3ccccc3F)CC2)c1Cl ZINC000645158657 1121587377 /nfs/dbraw/zinc/58/73/77/1121587377.db2.gz JFYREPQRQPBBPM-UHFFFAOYSA-N -1 1 291.753 3.964 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2ccc3nonc3c2)c1Cl ZINC001176328979 1121598103 /nfs/dbraw/zinc/59/81/03/1121598103.db2.gz VSXFVBIPZGKKLL-UHFFFAOYSA-N -1 1 296.113 3.979 20 0 CHADMM CC(C)c1nnc([N-]c2ccc(O)cc2C(F)(F)F)o1 ZINC001176337989 1121599891 /nfs/dbraw/zinc/59/98/91/1121599891.db2.gz LIWRMEVJBXEJOW-UHFFFAOYSA-N -1 1 287.241 3.661 20 0 CHADMM Cc1ncc(Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001176397284 1121624501 /nfs/dbraw/zinc/62/45/01/1121624501.db2.gz FHYGWIZUAVVIII-UHFFFAOYSA-N -1 1 284.146 3.849 20 0 CHADMM CC(C)Oc1cc(Nc2c([O-])cc(F)cc2F)c(F)cn1 ZINC001176483128 1121636344 /nfs/dbraw/zinc/63/63/44/1121636344.db2.gz PMFOMUGNPXOJPL-UHFFFAOYSA-N -1 1 298.264 3.735 20 0 CHADMM CN(C(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC000619606840 1128999298 /nfs/dbraw/zinc/99/92/98/1128999298.db2.gz FVMJWDLJBREAMU-UHFFFAOYSA-N -1 1 293.322 3.528 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1cc(C)c(Cl)cc1F ZINC001176522986 1121643013 /nfs/dbraw/zinc/64/30/13/1121643013.db2.gz IPCICIKRDIFEST-UHFFFAOYSA-N -1 1 298.701 3.696 20 0 CHADMM COc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670497 1121671324 /nfs/dbraw/zinc/67/13/24/1121671324.db2.gz WSYYPQFSKYCKDW-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cc1cc(C)c(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664115 1121671494 /nfs/dbraw/zinc/67/14/94/1121671494.db2.gz KWCYICBXHMNGFU-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)ccc2F)c1F ZINC001176669661 1121672060 /nfs/dbraw/zinc/67/20/60/1121672060.db2.gz JQFJYLYDQSNHPV-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM COc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176673691 1121672670 /nfs/dbraw/zinc/67/26/70/1121672670.db2.gz WLANWMZMZVWOEM-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001177109352 1121714159 /nfs/dbraw/zinc/71/41/59/1121714159.db2.gz GAJLECGJSMDMHK-MELADBBJSA-N -1 1 291.366 3.842 20 0 CHADMM [O-]c1cccc(CNCc2cccc(F)c2F)c1Cl ZINC001179295761 1121868912 /nfs/dbraw/zinc/86/89/12/1121868912.db2.gz PXGQNEGTZPPQPM-UHFFFAOYSA-N -1 1 283.705 3.614 20 0 CHADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCCO1 ZINC000420491953 1122014206 /nfs/dbraw/zinc/01/42/06/1122014206.db2.gz HRFONFNAUOKPEB-AWEZNQCLSA-N -1 1 294.738 3.511 20 0 CHADMM CC(C)[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@@H]1C(C)C ZINC001181752726 1122073557 /nfs/dbraw/zinc/07/35/57/1122073557.db2.gz JUCOJSISBMXSHN-BLLLJJGKSA-N -1 1 283.362 3.783 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3nnsc32)cc1Cl ZINC001250026239 1122093204 /nfs/dbraw/zinc/09/32/04/1122093204.db2.gz PFQJMUMVVXLCEH-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 CHADMM CCCCCSCc1cc(=O)oc2cc([O-])ccc12 ZINC000774661256 1122233236 /nfs/dbraw/zinc/23/32/36/1122233236.db2.gz NZOQNUZENKXCKQ-UHFFFAOYSA-N -1 1 278.373 3.922 20 0 CHADMM CSc1ccc(F)c(C)c1[N-]c1nonc1C1CC1 ZINC001250133326 1122243886 /nfs/dbraw/zinc/24/38/86/1122243886.db2.gz VNYPVKXIFRIQPY-UHFFFAOYSA-N -1 1 279.340 3.860 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC(C)(C)C1 ZINC001225678876 1122255177 /nfs/dbraw/zinc/25/51/77/1122255177.db2.gz LSIZPIHMJGZMGU-LBPRGKRZSA-N -1 1 278.348 3.648 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1OC1CCC(C)(C)CC1 ZINC001225679924 1122256496 /nfs/dbraw/zinc/25/64/96/1122256496.db2.gz SMWLOOULJKVTIW-UHFFFAOYSA-N -1 1 278.348 3.648 20 0 CHADMM [O-]c1c(F)cc(Cc2cccc(F)c2F)cc1F ZINC001250151324 1122277080 /nfs/dbraw/zinc/27/70/80/1122277080.db2.gz SXXOEINOFQVNGW-UHFFFAOYSA-N -1 1 256.198 3.539 20 0 CHADMM Cc1ccc(C)c(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250229044 1122374946 /nfs/dbraw/zinc/37/49/46/1122374946.db2.gz SSVPURHYWYDSFP-UHFFFAOYSA-N -1 1 266.703 3.940 20 0 CHADMM CCc1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250229475 1122376195 /nfs/dbraw/zinc/37/61/95/1122376195.db2.gz JYIDVSJEMQLUDH-UHFFFAOYSA-N -1 1 266.703 3.886 20 0 CHADMM Cc1ccc2cccnc2c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226490 1122380962 /nfs/dbraw/zinc/38/09/62/1122380962.db2.gz QFNWUHAGWXJRGM-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM C[C@@H](O)c1ccccc1Nc1c(F)ccc([O-])c1Cl ZINC001250236435 1122386501 /nfs/dbraw/zinc/38/65/01/1122386501.db2.gz QLWOZYIVPZDJOL-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000425141209 1122396155 /nfs/dbraw/zinc/39/61/55/1122396155.db2.gz GDEPPVOWULFQBV-RISCZKNCSA-N -1 1 299.374 3.547 20 0 CHADMM Cc1cnc(SC[C@H](C)CC(C)(C)C)[n-]c1=O ZINC001189399438 1122499866 /nfs/dbraw/zinc/49/98/66/1122499866.db2.gz PQNUZESJDNGJSD-SECBINFHSA-N -1 1 254.399 3.655 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2cccc(Cl)c2F)n1 ZINC000436242741 1122526342 /nfs/dbraw/zinc/52/63/42/1122526342.db2.gz OQBGIXJPRVRQAX-UHFFFAOYSA-N -1 1 298.770 3.829 20 0 CHADMM Cc1ncc(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436515207 1122556837 /nfs/dbraw/zinc/55/68/37/1122556837.db2.gz QCQZNTFHRKUWQS-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM CC(C)CC[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436604283 1122565818 /nfs/dbraw/zinc/56/58/18/1122565818.db2.gz NXOWBBMJFQTXHP-ZDUSSCGKSA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)(C)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436664661 1122569662 /nfs/dbraw/zinc/56/96/62/1122569662.db2.gz LPUKUZFJGPECNF-UHFFFAOYSA-N -1 1 297.354 3.511 20 0 CHADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cc1F ZINC000436737025 1122576332 /nfs/dbraw/zinc/57/63/32/1122576332.db2.gz HOHPRFKGKZBVEJ-VXGBXAGGSA-N -1 1 293.382 3.818 20 0 CHADMM CSCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436748563 1122578743 /nfs/dbraw/zinc/57/87/43/1122578743.db2.gz PLJLJXGIVVHESY-UHFFFAOYSA-N -1 1 273.357 3.508 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1c1ccccc1 ZINC000436796616 1122583499 /nfs/dbraw/zinc/58/34/99/1122583499.db2.gz WTLFZDHSKFJWSV-AWEZNQCLSA-N -1 1 287.746 3.633 20 0 CHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC001191224575 1122585297 /nfs/dbraw/zinc/58/52/97/1122585297.db2.gz GWVUTVHITIVQNN-UHFFFAOYSA-N -1 1 295.429 3.892 20 0 CHADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436847697 1122588207 /nfs/dbraw/zinc/58/82/07/1122588207.db2.gz GJHPBNSAUZBHAN-SWLSCSKDSA-N -1 1 283.371 3.806 20 0 CHADMM C[C@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436873170 1122590128 /nfs/dbraw/zinc/59/01/28/1122590128.db2.gz MATBYUUXNMENDL-VHSXEESVSA-N -1 1 276.311 3.560 20 0 CHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000436878718 1122591052 /nfs/dbraw/zinc/59/10/52/1122591052.db2.gz HGYWKQUUGRQGBE-KRWDZBQOSA-N -1 1 299.345 3.817 20 0 CHADMM CCC[C@@]1(C)CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436881859 1122591503 /nfs/dbraw/zinc/59/15/03/1122591503.db2.gz VKAYIJLDGQWCIP-INIZCTEOSA-N -1 1 279.355 3.574 20 0 CHADMM COCCCCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436921539 1122594972 /nfs/dbraw/zinc/59/49/72/1122594972.db2.gz VTNAFGFWMARTRM-UHFFFAOYSA-N -1 1 298.342 3.565 20 0 CHADMM O=C(Nc1csc2ccccc12)c1ccccc1[O-] ZINC000436949848 1122596907 /nfs/dbraw/zinc/59/69/07/1122596907.db2.gz SNHLLJHSMNSQQY-UHFFFAOYSA-N -1 1 269.325 3.859 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N(CC1CC1)CC1CCC1 ZINC000436933882 1122596933 /nfs/dbraw/zinc/59/69/33/1122596933.db2.gz VROJGNMRHJWEKB-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(C1)CCCCC2 ZINC000436988703 1122601294 /nfs/dbraw/zinc/60/12/94/1122601294.db2.gz XVCXXYONTAKYEQ-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000436999047 1122603799 /nfs/dbraw/zinc/60/37/99/1122603799.db2.gz DQKWWOZCAVUCBQ-CYBMUJFWSA-N -1 1 281.783 3.552 20 0 CHADMM CCCC[C@H](C)NC(=O)Nc1ccc(Cl)cc1[O-] ZINC001193059843 1122675597 /nfs/dbraw/zinc/67/55/97/1122675597.db2.gz DYFHNGMPZGRAJC-VIFPVBQESA-N -1 1 270.760 3.746 20 0 CHADMM CCCC[C@H](C)NC(=O)Nc1cccc([O-])c1Cl ZINC001193061268 1122676860 /nfs/dbraw/zinc/67/68/60/1122676860.db2.gz UUXHXRVCEIWKJP-VIFPVBQESA-N -1 1 270.760 3.746 20 0 CHADMM C[C@@H](NC(=O)Nc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001193136277 1122679993 /nfs/dbraw/zinc/67/99/93/1122679993.db2.gz NETPTHWLSCISTN-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])OC1CCCCC1 ZINC001193629085 1122702435 /nfs/dbraw/zinc/70/24/35/1122702435.db2.gz DCLPNJCOMFKXEY-UHFFFAOYSA-N -1 1 269.728 3.927 20 0 CHADMM O=C(Nc1cc(F)cc(F)c1[O-])Oc1ccc(Cl)cc1 ZINC001194065449 1122744614 /nfs/dbraw/zinc/74/46/14/1122744614.db2.gz QFLQQQXTPPRXSH-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM CCCCCCOC(=O)Nc1ccc(F)cc1[O-] ZINC001194180581 1122754688 /nfs/dbraw/zinc/75/46/88/1122754688.db2.gz GJIMZUKSTFZGOS-UHFFFAOYSA-N -1 1 255.289 3.660 20 0 CHADMM CCCCCCOC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194187812 1122756327 /nfs/dbraw/zinc/75/63/27/1122756327.db2.gz JTTCIQACISYRMI-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)Oc1ccccc1 ZINC001194251437 1122761754 /nfs/dbraw/zinc/76/17/54/1122761754.db2.gz LVMRQSARACPDDN-UHFFFAOYSA-N -1 1 263.680 3.657 20 0 CHADMM O=C(Nc1ncccc1[O-])Oc1ccc2ccccc2c1 ZINC001194628659 1122786607 /nfs/dbraw/zinc/78/66/07/1122786607.db2.gz UTNAMUFPCXAPMM-UHFFFAOYSA-N -1 1 280.283 3.551 20 0 CHADMM CCC(CC)(CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153889237 1129078668 /nfs/dbraw/zinc/07/86/68/1129078668.db2.gz UAXCGZPUHGPOCH-UHFFFAOYSA-N -1 1 299.798 3.753 20 0 CHADMM CSc1ccc([O-])c(-c2nc([C@H]3CCCS3)no2)c1 ZINC000664800400 1122841410 /nfs/dbraw/zinc/84/14/10/1122841410.db2.gz SFUJWDCDFBVWNG-LLVKDONJSA-N -1 1 294.401 3.732 20 0 CHADMM CC[C@@H](C)OC(=O)Nc1ccc([O-])c(Br)c1 ZINC001195116235 1122843755 /nfs/dbraw/zinc/84/37/55/1122843755.db2.gz MLXCUUCWDNUYGX-SSDOTTSWSA-N -1 1 288.141 3.502 20 0 CHADMM CC[C@H](C)OC(=O)Nc1ccc(Br)cc1[O-] ZINC001195118699 1122844352 /nfs/dbraw/zinc/84/43/52/1122844352.db2.gz UIECPCRDEWCRLG-ZETCQYMHSA-N -1 1 288.141 3.502 20 0 CHADMM COc1ccccc1OC(=O)Nc1cccc([O-])c1Cl ZINC001195265389 1122859348 /nfs/dbraw/zinc/85/93/48/1122859348.db2.gz VQBISRFHYCPUPQ-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM CCCCN(Cc1ccccc1)C(=O)c1nc(C)ccc1[O-] ZINC001195324252 1122861999 /nfs/dbraw/zinc/86/19/99/1122861999.db2.gz OYNZKYJORKLWIH-UHFFFAOYSA-N -1 1 298.386 3.538 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1cccc2cc(C)ccc21 ZINC001195494372 1122873331 /nfs/dbraw/zinc/87/33/31/1122873331.db2.gz LMBUFUXQWFURAJ-UHFFFAOYSA-N -1 1 288.372 3.591 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2coc3ccccc23)o1 ZINC000426792574 1122915699 /nfs/dbraw/zinc/91/56/99/1122915699.db2.gz MXIFGDDXPTZXSZ-CQSZACIVSA-N -1 1 299.326 3.640 20 0 CHADMM CN(Cc1ccccc1F)Cc1cccc([O-])c1Cl ZINC000506960075 1122915830 /nfs/dbraw/zinc/91/58/30/1122915830.db2.gz JQNJTRAPRVKQEH-UHFFFAOYSA-N -1 1 279.742 3.817 20 0 CHADMM [O-]c1c(F)cc(NC(=S)Nc2ccc(F)cc2)cc1F ZINC001196942206 1122940534 /nfs/dbraw/zinc/94/05/34/1122940534.db2.gz UZBFTDFWAXJZJG-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CSc1ccc([O-])c(-c2nc(C3CC(F)(F)C3)no2)c1 ZINC000664896579 1122998763 /nfs/dbraw/zinc/99/87/63/1122998763.db2.gz UFWYUXUOFOSXGS-UHFFFAOYSA-N -1 1 298.314 3.677 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198815929 1123012394 /nfs/dbraw/zinc/01/23/94/1123012394.db2.gz AVHLBDWBPZIQSH-UHFFFAOYSA-N -1 1 287.340 3.542 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)F)cc1 ZINC000334473208 1123035986 /nfs/dbraw/zinc/03/59/86/1123035986.db2.gz IYMWEJLARQAGRM-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM CC[C@H](C)[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000048866459 1123084139 /nfs/dbraw/zinc/08/41/39/1123084139.db2.gz XUDZHGDNPUGAKM-RYUDHWBXSA-N -1 1 271.360 3.710 20 0 CHADMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000049094376 1123100384 /nfs/dbraw/zinc/10/03/84/1123100384.db2.gz MGEVARRLUDPKQR-VIFPVBQESA-N -1 1 295.791 3.907 20 0 CHADMM CCO[C@H](CC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000665044805 1123138006 /nfs/dbraw/zinc/13/80/06/1123138006.db2.gz QUEBCAWOIQXMQP-GFCCVEGCSA-N -1 1 294.376 3.652 20 0 CHADMM Cc1ccccc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024932 1123400136 /nfs/dbraw/zinc/40/01/36/1123400136.db2.gz JXTFZVIQYYJORT-UHFFFAOYSA-N -1 1 286.400 3.969 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(C2CC2)s1 ZINC000335749081 1123422385 /nfs/dbraw/zinc/42/23/85/1123422385.db2.gz MIAGXYSFLUUNMW-UHFFFAOYSA-N -1 1 294.763 3.632 20 0 CHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000272725086 1129120774 /nfs/dbraw/zinc/12/07/74/1129120774.db2.gz IKNMBVZHSGWILD-MRVPVSSYSA-N -1 1 255.745 3.666 20 0 CHADMM CCCc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1CC ZINC000634618152 1129121611 /nfs/dbraw/zinc/12/16/11/1129121611.db2.gz IKXLZEDQPJXNGD-OAHLLOKOSA-N -1 1 295.386 3.759 20 0 CHADMM CCC/C(C)=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674098 1123476628 /nfs/dbraw/zinc/47/66/28/1123476628.db2.gz GYRDIMVGAMCVQE-YVMONPNESA-N -1 1 271.719 3.870 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC(F)(F)C1 ZINC000885678768 1123484127 /nfs/dbraw/zinc/48/41/27/1123484127.db2.gz VPSDCNRGSRWRAC-ZCFIWIBFSA-N -1 1 293.672 3.559 20 0 CHADMM CN(C[C@H]1CC1(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000621055630 1129126064 /nfs/dbraw/zinc/12/60/64/1129126064.db2.gz ZFNZTVVHSGDAPL-CQSZACIVSA-N -1 1 283.371 3.664 20 0 CHADMM CC[C@H](CC(=O)[N-]OCc1ccccn1)c1ccc(C)cc1 ZINC000909530552 1123535289 /nfs/dbraw/zinc/53/52/89/1123535289.db2.gz CFSBEHJRXMRKHT-OAHLLOKOSA-N -1 1 298.386 3.522 20 0 CHADMM CN(CC1CCCC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895972652 1123537857 /nfs/dbraw/zinc/53/78/57/1123537857.db2.gz CEZFKUQSGNWKCN-UHFFFAOYSA-N -1 1 299.370 3.513 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000856501545 1123562742 /nfs/dbraw/zinc/56/27/42/1123562742.db2.gz ZCKLYDQGHNSQPE-AAEUAGOBSA-N -1 1 293.794 3.840 20 0 CHADMM C[C@@H]1CCCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896363212 1123576457 /nfs/dbraw/zinc/57/64/57/1123576457.db2.gz 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ZINC000445457894 1124085322 /nfs/dbraw/zinc/08/53/22/1124085322.db2.gz USWJPJDHPMAWRA-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CC(C)c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cn1 ZINC000445521951 1124088450 /nfs/dbraw/zinc/08/84/50/1124088450.db2.gz COEDEYDGVDAPBY-UHFFFAOYSA-N -1 1 299.305 3.767 20 0 CHADMM O=C(Nc1ccc(O)cc1F)c1cc2ccccc2cc1[O-] ZINC000121832133 1124103113 /nfs/dbraw/zinc/10/31/13/1124103113.db2.gz WCJUUPKBPPPKJR-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC[C@@H](F)C1 ZINC001119996405 1131270616 /nfs/dbraw/zinc/27/06/16/1131270616.db2.gz YMYTYGMFNIPSLN-HTQZYQBOSA-N -1 1 289.709 3.652 20 0 CHADMM CC(C)c1cc(NCc2ccc([O-])c(Cl)c2)ncn1 ZINC000872726076 1124727030 /nfs/dbraw/zinc/72/70/30/1124727030.db2.gz LABIFGODGJMLPH-UHFFFAOYSA-N -1 1 277.755 3.571 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2cccc(C3CCCC3)c2)S1 ZINC000874929488 1124870442 /nfs/dbraw/zinc/87/04/42/1124870442.db2.gz FCOCQSFEXQTTNX-LCYFTJDESA-N -1 1 273.357 3.668 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccs3)cc2)S1 ZINC000874929935 1124870512 /nfs/dbraw/zinc/87/05/12/1124870512.db2.gz TWQWBPHPAROLMO-WQLSENKSSA-N -1 1 287.365 3.739 20 0 CHADMM CC(C)(C)c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)co1 ZINC000875381051 1124889644 /nfs/dbraw/zinc/88/96/44/1124889644.db2.gz RKKFVGINXDWZMD-UHFFFAOYSA-N -1 1 298.264 3.642 20 0 CHADMM CC[C@@H](CC(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000530007300 1125109870 /nfs/dbraw/zinc/10/98/70/1125109870.db2.gz UMFPTXIEMXTBPD-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM Cc1oc(C(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530007087 1125109902 /nfs/dbraw/zinc/10/99/02/1125109902.db2.gz ZPWOKTNGDURKCA-UHFFFAOYSA-N -1 1 277.295 3.808 20 0 CHADMM O=C1Nc2ccc(F)cc2/C1=C\c1ccc([O-])c(Cl)c1 ZINC000131228957 1125377671 /nfs/dbraw/zinc/37/76/71/1125377671.db2.gz WEOHEQYLBSXDSJ-VZUCSPMQSA-N -1 1 289.693 3.677 20 0 CHADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC001137190963 1125415459 /nfs/dbraw/zinc/41/54/59/1125415459.db2.gz AGCXYTWFRIOZIO-CMPLNLGQSA-N -1 1 295.810 3.990 20 0 CHADMM CC[C@@](NCc1ccsc1C)(C(=O)[O-])c1ccccc1 ZINC000901648510 1129221054 /nfs/dbraw/zinc/22/10/54/1129221054.db2.gz BOCXDJCKAHTQTG-INIZCTEOSA-N -1 1 289.400 3.536 20 0 CHADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(C)cc1 ZINC001136536367 1131362903 /nfs/dbraw/zinc/36/29/03/1131362903.db2.gz YRXVVJVDDAOEHA-HNNXBMFYSA-N -1 1 287.334 3.721 20 0 CHADMM Cc1sc2ncnc(-c3ccc([O-])c(F)c3)c2c1C ZINC001240783835 1129350973 /nfs/dbraw/zinc/35/09/73/1129350973.db2.gz YLFWKGFXBQHDLS-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM CCC1=NO[C@H](c2nc(=O)c3c4ccccc4sc3[n-]2)C1 ZINC000735931816 1129361273 /nfs/dbraw/zinc/36/12/73/1129361273.db2.gz FKRLZUNIEIFITK-JTQLQIEISA-N -1 1 299.355 3.778 20 0 CHADMM Cc1ccc(C)c(SCC(=O)c2ccc([O-])cc2)c1 ZINC000035044947 1129427535 /nfs/dbraw/zinc/42/75/35/1129427535.db2.gz ILIKLEAIQYUYOV-UHFFFAOYSA-N -1 1 272.369 3.984 20 0 CHADMM [O-]c1cc(F)c(-c2cncc(-c3cccs3)n2)c(F)c1 ZINC001241118317 1129456726 /nfs/dbraw/zinc/45/67/26/1129456726.db2.gz CDIGHVFIUJVFGQ-UHFFFAOYSA-N -1 1 290.294 3.856 20 0 CHADMM COc1cc(-c2c(F)cc([O-])cc2F)c(OC)cc1C ZINC001241118419 1129456807 /nfs/dbraw/zinc/45/68/07/1129456807.db2.gz DTRYQAXNWSDXLP-UHFFFAOYSA-N -1 1 280.270 3.663 20 0 CHADMM CCOc1cc(F)ccc1-c1c(F)cc([O-])cc1F ZINC001241121116 1129458442 /nfs/dbraw/zinc/45/84/42/1129458442.db2.gz BQRKUJYMHLGDJK-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM [O-]c1cc(F)c(-c2ccccc2-c2cnco2)c(F)c1 ZINC001241122861 1129459916 /nfs/dbraw/zinc/45/99/16/1129459916.db2.gz ZNQKJICLPDNCNR-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(C2CC2)CC1 ZINC000646769500 1129544018 /nfs/dbraw/zinc/54/40/18/1129544018.db2.gz LFZLNPDACHEACG-UHFFFAOYSA-N -1 1 295.382 3.808 20 0 CHADMM [O-]c1cc(F)ccc1-c1c(F)ccc2cccnc21 ZINC001242218697 1129690518 /nfs/dbraw/zinc/69/05/18/1129690518.db2.gz LKQKFLSKXYJUGF-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1cc(Nc2ccc(Cl)c(O)c2)cc(F)c1F ZINC001212593141 1129743365 /nfs/dbraw/zinc/74/33/65/1129743365.db2.gz FPSBJZUXJXUZFS-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cn1ccc2ncc(-c3cccc(Cl)c3[O-])cc21 ZINC001242367711 1129798789 /nfs/dbraw/zinc/79/87/89/1129798789.db2.gz QJFYZUJRSLFKBB-UHFFFAOYSA-N -1 1 258.708 3.599 20 0 CHADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000654308867 1129823441 /nfs/dbraw/zinc/82/34/41/1129823441.db2.gz HUOJEVXBYQBPDU-JOYOIKCWSA-N -1 1 295.329 3.847 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](F)c1ccccc1 ZINC000768985114 1129884512 /nfs/dbraw/zinc/88/45/12/1129884512.db2.gz QLFPNEWAEANZJU-CYBMUJFWSA-N -1 1 279.698 3.695 20 0 CHADMM CCC(C)(C)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900757429 1129897090 /nfs/dbraw/zinc/89/70/90/1129897090.db2.gz HRKXVHYBUIAKQF-UHFFFAOYSA-N -1 1 287.359 3.512 20 0 CHADMM CC1(C)CO[C@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000901162923 1129910294 /nfs/dbraw/zinc/91/02/94/1129910294.db2.gz PZUYJAWZYUWMSF-LLVKDONJSA-N -1 1 297.782 3.579 20 0 CHADMM CC1(C)CC[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)OC1 ZINC000901162164 1129910704 /nfs/dbraw/zinc/91/07/04/1129910704.db2.gz FQPWWBOQQUXNDK-NSHDSACASA-N -1 1 297.782 3.579 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N(C1CC1)C1CCCC1 ZINC000769762379 1129922587 /nfs/dbraw/zinc/92/25/87/1129922587.db2.gz GYKBALIBTLWDSJ-UHFFFAOYSA-N -1 1 279.767 3.593 20 0 CHADMM CCCCC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901724126 1129946313 /nfs/dbraw/zinc/94/63/13/1129946313.db2.gz OJIVMHQVJUQZQZ-AWEZNQCLSA-N -1 1 275.348 3.556 20 0 CHADMM Cc1ccc([C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000771223950 1129975039 /nfs/dbraw/zinc/97/50/39/1129975039.db2.gz NBAFLNKWWOCOHX-SECBINFHSA-N -1 1 288.278 3.635 20 0 CHADMM CCc1oc(CN(C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000902512508 1130018608 /nfs/dbraw/zinc/01/86/08/1130018608.db2.gz UTKLHIVEMJQVBC-JTQLQIEISA-N -1 1 293.388 3.795 20 0 CHADMM CC(C)Oc1cccnc1-c1cccc([O-])c1Cl ZINC001242800626 1130053948 /nfs/dbraw/zinc/05/39/48/1130053948.db2.gz JQPZYTQCRLELET-UHFFFAOYSA-N -1 1 263.724 3.895 20 0 CHADMM Cc1nc2c(ncc(-c3cccc([O-])c3Cl)c2C)[nH]1 ZINC001242803032 1130056930 /nfs/dbraw/zinc/05/69/30/1130056930.db2.gz LMBCNVRINYCMMU-UHFFFAOYSA-N -1 1 273.723 3.601 20 0 CHADMM C=CC(=O)Oc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242803462 1130060254 /nfs/dbraw/zinc/06/02/54/1130060254.db2.gz RBJQVUGRNDHPBT-UHFFFAOYSA-N -1 1 274.703 3.804 20 0 CHADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)c(F)c1F ZINC001242803640 1130060597 /nfs/dbraw/zinc/06/05/97/1130060597.db2.gz VXEAMJWHMAYHNB-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM Cc1cc(CN2C[C@@H]3CC[C@H]2c2ccccc23)oc1C(=O)[O-] ZINC000903620545 1130185121 /nfs/dbraw/zinc/18/51/21/1130185121.db2.gz AOJAZUKYXFPXDP-LRDDRELGSA-N -1 1 297.354 3.721 20 0 CHADMM Cc1oc(CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1C(=O)[O-] ZINC000903620802 1130185165 /nfs/dbraw/zinc/18/51/65/1130185165.db2.gz FARUWFLLXIHCII-SJCJKPOMSA-N -1 1 297.354 3.721 20 0 CHADMM Cc1cc(Cl)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055899 1130289166 /nfs/dbraw/zinc/28/91/66/1130289166.db2.gz HTCPYOAJWYKQSF-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM CCOC(=O)c1nc2cc(-c3cc(C)cc(F)c3)ccc2[n-]1 ZINC001240595380 1130378583 /nfs/dbraw/zinc/37/85/83/1130378583.db2.gz JSBBTWAHYUJXNY-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3cc(C)cc(F)c3)cc2[n-]1 ZINC001240595380 1130378587 /nfs/dbraw/zinc/37/85/87/1130378587.db2.gz JSBBTWAHYUJXNY-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000678310933 1130399065 /nfs/dbraw/zinc/39/90/65/1130399065.db2.gz NTEGHWQAFFVFGZ-MRXNPFEDSA-N -1 1 299.345 3.681 20 0 CHADMM O=C(C/C=C\c1cccc(F)c1)Nc1c([O-])cccc1F ZINC000678374295 1130409665 /nfs/dbraw/zinc/40/96/65/1130409665.db2.gz BXMVYUZHUFPNAT-DJWKRKHSSA-N -1 1 289.281 3.712 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(OCc2ccccc2)cnn1 ZINC001240693983 1130421120 /nfs/dbraw/zinc/42/11/20/1130421120.db2.gz KUKUUWCILHKEAV-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM Cc1nc(-c2ccccc2)cc(-c2cc(F)ccc2[O-])n1 ZINC001240693397 1130421564 /nfs/dbraw/zinc/42/15/64/1130421564.db2.gz QFBPOBFJDMBJFH-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncnc2[nH]c3cc(F)ccc3c21 ZINC001240696241 1130422181 /nfs/dbraw/zinc/42/21/81/1130422181.db2.gz JKWPKHWMQGNYQK-UHFFFAOYSA-N -1 1 297.264 3.762 20 0 CHADMM CC(C)(C)c1nc2[nH]ccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240694569 1130422598 /nfs/dbraw/zinc/42/25/98/1130422598.db2.gz YUWAWYVNFHLLFT-UHFFFAOYSA-N -1 1 285.322 3.719 20 0 CHADMM Cc1ccccc1-c1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240695588 1130422739 /nfs/dbraw/zinc/42/27/39/1130422739.db2.gz NILLBPUIJOTZHQ-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM CC(C)(C)Oc1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240698281 1130424758 /nfs/dbraw/zinc/42/47/58/1130424758.db2.gz UTVLZZVXJYEIFB-UHFFFAOYSA-N -1 1 261.296 3.771 20 0 CHADMM [O-]c1ccc(-c2cc(-c3ccccc3)cnn2)cc1F ZINC001240782151 1130468567 /nfs/dbraw/zinc/46/85/67/1130468567.db2.gz RRHGQEZVKXESAG-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM Cc1cccc(-c2ccc(-c3ccc([O-])c(F)c3)nn2)c1 ZINC001240783073 1130468851 /nfs/dbraw/zinc/46/88/51/1130468851.db2.gz OZNXMTHBJYMGJQ-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM CCc1nc2sccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240786063 1130469384 /nfs/dbraw/zinc/46/93/84/1130469384.db2.gz JZCXAOBZHZDISR-UHFFFAOYSA-N -1 1 274.320 3.765 20 0 CHADMM CC(C)c1nc2[nH]ccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240786049 1130470210 /nfs/dbraw/zinc/47/02/10/1130470210.db2.gz JEUYBCQHHYJRTJ-UHFFFAOYSA-N -1 1 271.295 3.545 20 0 CHADMM CCOC(=O)c1cccc(F)c1-c1ccc([O-])c(F)c1 ZINC001240791320 1130473721 /nfs/dbraw/zinc/47/37/21/1130473721.db2.gz ZULWCJWRHUEPQM-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1cccc2ncccc21 ZINC001243502390 1130515286 /nfs/dbraw/zinc/51/52/86/1130515286.db2.gz LAUXKBJLPMZSSZ-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1ncc2ccc(-c3cc(F)cc(F)c3[O-])cc2n1 ZINC001243505284 1130516390 /nfs/dbraw/zinc/51/63/90/1130516390.db2.gz PXZVGTUVXXISAE-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CC(C)c1ccc([C@H](C)CC(=O)[N-]OCC(F)F)cc1 ZINC000759349883 1130652771 /nfs/dbraw/zinc/65/27/71/1130652771.db2.gz RIHWTXXTAXRSNO-LLVKDONJSA-N -1 1 285.334 3.617 20 0 CHADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000812794045 1130718878 /nfs/dbraw/zinc/71/88/78/1130718878.db2.gz OLNWKVMOFFVTEQ-MRVPVSSYSA-N -1 1 288.174 3.697 20 0 CHADMM Oc1c(F)cc(F)c(-c2cc(F)ccc2[S-])c1F ZINC001236002375 1130827388 /nfs/dbraw/zinc/82/73/88/1130827388.db2.gz NWIRIUVBPVXJRD-UHFFFAOYSA-N -1 1 274.238 3.904 20 0 CHADMM Cc1ccc(F)c(-c2cc(C(C)C)nc(C)n2)c1[O-] ZINC001236390306 1130925162 /nfs/dbraw/zinc/92/51/62/1130925162.db2.gz IQAUBLSRGYUMKT-UHFFFAOYSA-N -1 1 260.312 3.729 20 0 CHADMM Cc1cc2c(ccnc2-c2c(F)ccc(C)c2[O-])o1 ZINC001236390632 1130925471 /nfs/dbraw/zinc/92/54/71/1130925471.db2.gz FWTAAZUTZULZBS-UHFFFAOYSA-N -1 1 257.264 3.956 20 0 CHADMM Cc1ccc(F)c(-c2nc(CC3CC3)nc3[nH]ccc32)c1[O-] ZINC001236403066 1130928570 /nfs/dbraw/zinc/92/85/70/1130928570.db2.gz PJWOBNGEIQDHTJ-UHFFFAOYSA-N -1 1 297.333 3.682 20 0 CHADMM Cc1ccc(F)c(-c2ccc(C(F)F)cn2)c1[O-] ZINC001236405899 1130930401 /nfs/dbraw/zinc/93/04/01/1130930401.db2.gz KHNYGFDZCPPEPO-UHFFFAOYSA-N -1 1 253.223 3.839 20 0 CHADMM Cc1ccc(F)c(-c2cccc(-c3ccncc3)n2)c1[O-] ZINC001236414702 1130932426 /nfs/dbraw/zinc/93/24/26/1130932426.db2.gz LCDHPYDNFIVNCH-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236709682 1130997398 /nfs/dbraw/zinc/99/73/98/1130997398.db2.gz GNCHIULPZVAWBK-GFCCVEGCSA-N -1 1 289.350 3.733 20 0 CHADMM Cc1cc([C@H]2CCCN2Cc2cccc([O-])c2Cl)no1 ZINC000816488113 1131100583 /nfs/dbraw/zinc/10/05/83/1131100583.db2.gz IXHVUQRUYTYHBX-CYBMUJFWSA-N -1 1 292.766 3.679 20 0 CHADMM CN(Cc1cccs1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237988210 1131157870 /nfs/dbraw/zinc/15/78/70/1131157870.db2.gz DXZBVQRRGMILMY-UHFFFAOYSA-N -1 1 285.771 3.878 20 0 CHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccc2ccccc2c1 ZINC000817399662 1131158339 /nfs/dbraw/zinc/15/83/39/1131158339.db2.gz VSCPNIMORUZQHC-CYBMUJFWSA-N -1 1 283.371 3.791 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc([O-])cc1F ZINC001136019437 1131183799 /nfs/dbraw/zinc/18/37/99/1131183799.db2.gz PKEYDZFASCZKLA-JHJVBQTASA-N -1 1 291.366 3.620 20 0 CHADMM CC(=O)Nc1ccccc1-c1c(F)ccc([O-])c1Cl ZINC001245832919 1131202659 /nfs/dbraw/zinc/20/26/59/1131202659.db2.gz VNMDTOCWXWMYFY-UHFFFAOYSA-N -1 1 279.698 3.810 20 0 CHADMM CC(C)(C)C1CC(NC(=O)c2c([O-])cccc2Cl)C1 ZINC000818136901 1131203261 /nfs/dbraw/zinc/20/32/61/1131203261.db2.gz KPBLVVQBFWGXKB-UHFFFAOYSA-N -1 1 281.783 3.600 20 0 CHADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)c(F)c1 ZINC001245833041 1131203300 /nfs/dbraw/zinc/20/33/00/1131203300.db2.gz RZZFBVRDJNTWLI-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(Cl)ncc1F ZINC000830199958 1131447899 /nfs/dbraw/zinc/44/78/99/1131447899.db2.gz QXOTWVDCXDDXBD-UHFFFAOYSA-N -1 1 297.717 3.546 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1C ZINC001202817868 1131493037 /nfs/dbraw/zinc/49/30/37/1131493037.db2.gz RHUXKRWYRPORFM-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1C ZINC001202827649 1131504301 /nfs/dbraw/zinc/50/43/01/1131504301.db2.gz RZHZOHHYXYZBPH-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1C ZINC001202828217 1131507038 /nfs/dbraw/zinc/50/70/38/1131507038.db2.gz KTNYPIJHRMGZQZ-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CN(CCC(C)(C)C)C(=O)c1c([O-])cccc1Cl ZINC000844012522 1131527447 /nfs/dbraw/zinc/52/74/47/1131527447.db2.gz MEHFEOMJMVPGDU-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM CCc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001202940680 1131611883 /nfs/dbraw/zinc/61/18/83/1131611883.db2.gz SUSLCLLHVSVSJU-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM CCc1ccc(NC(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001202944455 1131613398 /nfs/dbraw/zinc/61/33/98/1131613398.db2.gz YYUQIHQSFABHFC-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCN(Cc1ccccc1F)Cc1c(F)cc([O-])cc1F ZINC001144558695 1131659378 /nfs/dbraw/zinc/65/93/78/1131659378.db2.gz AHLUIPQPOGIAOY-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM CSc1cc(NC(=O)c2cccc([O-])c2F)ccc1C ZINC001144583296 1131662143 /nfs/dbraw/zinc/66/21/43/1131662143.db2.gz QYDAJSZGMVUVNF-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM C[C@@H]1Cc2ccccc2CN1Cc1cc(F)c([O-])cc1F ZINC001144659500 1131679388 /nfs/dbraw/zinc/67/93/88/1131679388.db2.gz KXNWZIXZQZOPLD-LLVKDONJSA-N -1 1 289.325 3.617 20 0 CHADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CCC2(CC2)CC1 ZINC000834823505 1131707087 /nfs/dbraw/zinc/70/70/87/1131707087.db2.gz YHBDPJHAALUZNT-UHFFFAOYSA-N -1 1 293.794 3.632 20 0 CHADMM S=c1nc2cnccc2c(OC2CCCCCC2)[n-]1 ZINC001227881726 1131759533 /nfs/dbraw/zinc/75/95/33/1131759533.db2.gz OISRQZPIZJOBIT-UHFFFAOYSA-N -1 1 275.377 3.789 20 0 CHADMM Cc1cccc(C(C)(C)NC(=O)c2c([O-])cccc2F)c1 ZINC001147211278 1131815812 /nfs/dbraw/zinc/81/58/12/1131815812.db2.gz QYLFPVFSFCBWTB-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM C[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])C1CC1 ZINC001148869252 1131875696 /nfs/dbraw/zinc/87/56/96/1131875696.db2.gz GSRWHOYKIMYHRG-LBPRGKRZSA-N -1 1 281.355 3.588 20 0 CHADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)CCC1(F)F ZINC001140888776 1131957644 /nfs/dbraw/zinc/95/76/44/1131957644.db2.gz XDGYOOPWHGBZON-UHFFFAOYSA-N -1 1 291.288 3.538 20 0 CHADMM C[N@H+](C/C=C/c1ccccc1)Cc1cc(F)c(O)c(F)c1 ZINC001140991105 1131979518 /nfs/dbraw/zinc/97/95/18/1131979518.db2.gz XMFRQFDTJIOTPZ-VMPITWQZSA-N -1 1 289.325 3.816 20 0 CHADMM C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)c1cncnc1 ZINC001229406440 1132063087 /nfs/dbraw/zinc/06/30/87/1132063087.db2.gz VIIBCBBUZGJXOI-SSDOTTSWSA-N -1 1 285.130 3.629 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(C(F)F)cc1 ZINC001171632470 1132063280 /nfs/dbraw/zinc/06/32/80/1132063280.db2.gz BVWMPXFAWCSGHV-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](CC)C(C)C ZINC001229475643 1132072420 /nfs/dbraw/zinc/07/24/20/1132072420.db2.gz CCOVPHBMKXUKJZ-AWEZNQCLSA-N -1 1 250.338 3.798 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)CC(C)(C)OC ZINC001229478270 1132073589 /nfs/dbraw/zinc/07/35/89/1132073589.db2.gz UQBVQQSMOTWADL-LLVKDONJSA-N -1 1 280.364 3.567 20 0 CHADMM CCCC(=O)[C@@H](CCC)Oc1cc([O-])ccc1C(=O)CC ZINC001229474190 1132073654 /nfs/dbraw/zinc/07/36/54/1132073654.db2.gz CFSQAACPJUUFBL-MRXNPFEDSA-N -1 1 292.375 3.902 20 0 CHADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc(F)c1 ZINC001141833731 1132254621 /nfs/dbraw/zinc/25/46/21/1132254621.db2.gz KOQYXZDWACAASB-QMMMGPOBSA-N -1 1 295.260 3.552 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001231229350 1132273616 /nfs/dbraw/zinc/27/36/16/1132273616.db2.gz ADQTXHWSQLGNQL-MIFYACCESA-N -1 1 294.350 3.801 20 0 CHADMM [O-]c1cc(CN2CCc3cc(F)ccc3C2)ccc1Cl ZINC001231736280 1132348852 /nfs/dbraw/zinc/34/88/52/1132348852.db2.gz HBXOHHKSOXZJQL-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM [O-]c1cc(CN2Cc3cccc(F)c3C2)ccc1Cl ZINC001231734171 1132350320 /nfs/dbraw/zinc/35/03/20/1132350320.db2.gz QQDBVUHADFOPNZ-UHFFFAOYSA-N -1 1 277.726 3.701 20 0 CHADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccc([O-])c(F)c1 ZINC001143043883 1132494538 /nfs/dbraw/zinc/49/45/38/1132494538.db2.gz SZHOQNVASWDZQG-INIZCTEOSA-N -1 1 291.366 3.620 20 0 CHADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccc(F)c([O-])c1 ZINC001143053793 1132496623 /nfs/dbraw/zinc/49/66/23/1132496623.db2.gz HFLAWWKYFWLVPG-INIZCTEOSA-N -1 1 291.366 3.620 20 0 CHADMM CC(C)N(CC1CC1)C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149646801 1132545036 /nfs/dbraw/zinc/54/50/36/1132545036.db2.gz PWDSMZAFGPYMLB-UHFFFAOYSA-N -1 1 299.370 3.512 20 0 CHADMM [O-]c1c(F)ccc(CN2CCCC[C@H]2C(F)(F)F)c1F ZINC001232935530 1132546110 /nfs/dbraw/zinc/54/61/10/1132546110.db2.gz RSGSHTLFXBXFQO-JTQLQIEISA-N -1 1 295.251 3.587 20 0 CHADMM CCOc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001173848755 1132550764 /nfs/dbraw/zinc/55/07/64/1132550764.db2.gz DNMCPPZBULSASK-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM COc1cccc([O-])c1C(=O)Nc1ccc(CC(C)C)cc1 ZINC001150112794 1132552017 /nfs/dbraw/zinc/55/20/17/1132552017.db2.gz RNJLFPXYGGOFIQ-UHFFFAOYSA-N -1 1 299.370 3.852 20 0 CHADMM Cc1ccc2c(c1)CCN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232973706 1132552827 /nfs/dbraw/zinc/55/28/27/1132552827.db2.gz IZMZTVNTVCHPPL-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM [O-]c1cc(CN2CC[C@@H]2c2ccccc2)cc(F)c1F ZINC001232973052 1132553407 /nfs/dbraw/zinc/55/34/07/1132553407.db2.gz KUKIHLBJZOODRT-CQSZACIVSA-N -1 1 275.298 3.617 20 0 CHADMM CCN(Cc1ccccc1F)Cc1cc(Cl)ncc1[O-] ZINC001233038766 1132565467 /nfs/dbraw/zinc/56/54/67/1132565467.db2.gz HANZZTFNBOARSL-UHFFFAOYSA-N -1 1 294.757 3.602 20 0 CHADMM CC1(C)CCC(C)(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001151702102 1132573109 /nfs/dbraw/zinc/57/31/09/1132573109.db2.gz YRUJLEGSBAGYJL-UHFFFAOYSA-N -1 1 279.355 3.620 20 0 CHADMM CN(Cc1nc2ccccc2o1)Cc1ccc([S-])cc1 ZINC001233261784 1132590720 /nfs/dbraw/zinc/59/07/20/1132590720.db2.gz DIBYSPHWMFQKLS-UHFFFAOYSA-N -1 1 284.384 3.749 20 0 CHADMM COc1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001173841252 1132594497 /nfs/dbraw/zinc/59/44/97/1132594497.db2.gz SSFYKXAOOKFPLO-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM C[C@H]1CCCCN(C(=O)c2c([O-])ccc3ccccc32)C1 ZINC001153499409 1132595160 /nfs/dbraw/zinc/59/51/60/1132595160.db2.gz VRMXMKIELOYNMC-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM CC(=O)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001173902432 1132605788 /nfs/dbraw/zinc/60/57/88/1132605788.db2.gz IUAGPKRPPOYZET-UHFFFAOYSA-N -1 1 293.326 3.524 20 0 CHADMM Cc1csc(NC(=O)c2c(O)cc3ccccc3c2[O-])c1 ZINC001154022889 1132606444 /nfs/dbraw/zinc/60/64/44/1132606444.db2.gz IHVTXQPSUULHFP-UHFFFAOYSA-N -1 1 299.351 3.873 20 0 CHADMM CC(C)(C)c1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001173880633 1132622032 /nfs/dbraw/zinc/62/20/32/1132622032.db2.gz MVHATJNNCMQPPF-UHFFFAOYSA-N -1 1 281.359 3.611 20 0 CHADMM COc1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001173957138 1132630911 /nfs/dbraw/zinc/63/09/11/1132630911.db2.gz WXEOMGRNMUDPGR-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ccc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001173957113 1132631255 /nfs/dbraw/zinc/63/12/55/1132631255.db2.gz 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ZINC001211338375 1134409885 /nfs/dbraw/zinc/40/98/85/1134409885.db2.gz CSTLWKKPHKOYRE-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM COc1ccc(-c2cc(F)c([O-])cc2F)c2[nH]ccc21 ZINC001211340579 1134410061 /nfs/dbraw/zinc/41/00/61/1134410061.db2.gz WVFVFHZVZWHBTO-UHFFFAOYSA-N -1 1 275.254 3.827 20 0 CHADMM COc1ccnc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211350189 1134411482 /nfs/dbraw/zinc/41/14/82/1134411482.db2.gz OUAFAHXNWUBQPW-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM O=C1CCc2ccc(Nc3cc(F)c([O-])c(F)c3)cc21 ZINC001213379317 1134445433 /nfs/dbraw/zinc/44/54/33/1134445433.db2.gz OEWTXBFJHNNCMU-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(Cl)cn2)cc1Cl ZINC001214477380 1134542668 /nfs/dbraw/zinc/54/26/68/1134542668.db2.gz JYRHYZVWNPQPOZ-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Nc1cc(F)cc(F)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488861 1134543968 /nfs/dbraw/zinc/54/39/68/1134543968.db2.gz OHHCWSGVPPVTEK-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3cnncc32)cc1Cl ZINC001214488752 1134544004 /nfs/dbraw/zinc/54/40/04/1134544004.db2.gz LGDCNOPQNUHTMK-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM Cc1ccc(CO)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486303 1134544032 /nfs/dbraw/zinc/54/40/32/1134544032.db2.gz AEFMWODPXZJHGB-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(F)ccc2CO)cc1Cl ZINC001214491615 1134544687 /nfs/dbraw/zinc/54/46/87/1134544687.db2.gz FWIVCQKYIBWHNW-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM O=C1OCc2c1cccc2Nc1cc(F)c([O-])c(Cl)c1 ZINC001214490521 1134545137 /nfs/dbraw/zinc/54/51/37/1134545137.db2.gz XGMORTAKLBZRPB-UHFFFAOYSA-N -1 1 293.681 3.599 20 0 CHADMM CN(C)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214492381 1134545370 /nfs/dbraw/zinc/54/53/70/1134545370.db2.gz ZWYBXGOKDJYCDD-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM C[C@@H](O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214489251 1134545404 /nfs/dbraw/zinc/54/54/04/1134545404.db2.gz ZZJVASRHIQSXAR-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc(Cl)c1CO ZINC001214650111 1134561846 /nfs/dbraw/zinc/56/18/46/1134561846.db2.gz OPGUDQAKSXSEIX-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM Cc1nonc1[N-]c1cc(C)c(Cl)cc1Cl ZINC001215097594 1134598942 /nfs/dbraw/zinc/59/89/42/1134598942.db2.gz PKYAGDHLIAHRIZ-UHFFFAOYSA-N -1 1 258.108 3.737 20 0 CHADMM Cc1c(C)c(Nc2ccc(F)c(F)c2[O-])ccc1CO ZINC001215248420 1134610849 /nfs/dbraw/zinc/61/08/49/1134610849.db2.gz BABLUJSCFUYBAU-UHFFFAOYSA-N -1 1 279.286 3.523 20 0 CHADMM CSc1ccc(F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001215444074 1134628199 /nfs/dbraw/zinc/62/81/99/1134628199.db2.gz GZOLLWTUSGPPMH-UHFFFAOYSA-N -1 1 281.356 3.972 20 0 CHADMM CSc1ccc(F)cc1[N-]c1nonc1C1CC1 ZINC001215448717 1134628884 /nfs/dbraw/zinc/62/88/84/1134628884.db2.gz YQXCBORGTADAFY-UHFFFAOYSA-N -1 1 265.313 3.552 20 0 CHADMM CCCOc1ccc([N-]c2nnc(C(C)C)o2)c(F)c1 ZINC001215486480 1134632631 /nfs/dbraw/zinc/63/26/31/1134632631.db2.gz KZFPXDRXNFTVQY-UHFFFAOYSA-N -1 1 279.315 3.865 20 0 CHADMM Cc1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1O ZINC001215574450 1134646159 /nfs/dbraw/zinc/64/61/59/1134646159.db2.gz UHRCZLFHEVALME-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM O=C1CCCc2cccc(Nc3cc(F)c([O-])cc3F)c21 ZINC001215575635 1134646215 /nfs/dbraw/zinc/64/62/15/1134646215.db2.gz BTPZJHXHXZSXLW-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])cc2F)cc(C)c1F ZINC001215704204 1134662099 /nfs/dbraw/zinc/66/20/99/1134662099.db2.gz DHKNTXNYBQNTOH-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Cc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1O ZINC001215740395 1134670177 /nfs/dbraw/zinc/67/01/77/1134670177.db2.gz GBKHEFVSBIHTFK-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM Cc1cc(OC(C)C)ncc1[N-]c1nnc(C(C)(C)C)o1 ZINC001215769607 1134682136 /nfs/dbraw/zinc/68/21/36/1134682136.db2.gz GDARRDJOBZMYQY-UHFFFAOYSA-N -1 1 290.367 3.601 20 0 CHADMM Cc1ccc(-c2noc(-c3ccc(F)c([O-])c3)n2)cc1 ZINC001215842546 1134700794 /nfs/dbraw/zinc/70/07/94/1134700794.db2.gz NIYFJGCLHYQVIP-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM CSc1cc(F)c(Nc2ncc(F)cc2[O-])c(F)c1 ZINC001215841670 1134701332 /nfs/dbraw/zinc/70/13/32/1134701332.db2.gz WLCGRDQDTXHLTQ-UHFFFAOYSA-N -1 1 286.278 3.670 20 0 CHADMM O=C([O-])c1ccc(Nc2cc(Cl)cc3[nH]ncc32)cc1 ZINC001215860925 1134705865 /nfs/dbraw/zinc/70/58/65/1134705865.db2.gz OMWNFQUSFGPBNV-UHFFFAOYSA-N -1 1 287.706 3.658 20 0 CHADMM Cc1nc(OC(C)C)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001215921468 1134721049 /nfs/dbraw/zinc/72/10/49/1134721049.db2.gz IVDMUALQFZPXEU-UHFFFAOYSA-N -1 1 294.301 3.905 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(Cl)c2n[nH]cc21 ZINC001215944399 1134727033 /nfs/dbraw/zinc/72/70/33/1134727033.db2.gz HELPSDRQWIDZOT-UHFFFAOYSA-N -1 1 295.676 3.944 20 0 CHADMM COCc1cc(OC)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001215982351 1134740551 /nfs/dbraw/zinc/74/05/51/1134740551.db2.gz USIDTUCUWOZJBW-UHFFFAOYSA-N -1 1 295.285 3.569 20 0 CHADMM Cc1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1F ZINC001215984443 1134741359 /nfs/dbraw/zinc/74/13/59/1134741359.db2.gz REUFTAHAXNXILC-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CN(C)c1ccc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001216059003 1134764198 /nfs/dbraw/zinc/76/41/98/1134764198.db2.gz SNZZZMHWQOFDKK-UHFFFAOYSA-N -1 1 298.173 3.904 20 0 CHADMM Cc1cc(C)c(N)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001216102948 1134778498 /nfs/dbraw/zinc/77/84/98/1134778498.db2.gz TZLMNKDKIYDZLU-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM COc1cc(Oc2ccccc2)ccc1[N-]c1nnco1 ZINC001216241575 1134821885 /nfs/dbraw/zinc/82/18/85/1134821885.db2.gz XXIKNYNXYKVQEE-UHFFFAOYSA-N -1 1 283.287 3.614 20 0 CHADMM Nc1c(Cl)cccc1Nc1c([O-])cc(F)cc1F ZINC001216528724 1134916747 /nfs/dbraw/zinc/91/67/47/1134916747.db2.gz WYUKWDJPOHOBTR-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM Cc1noc2ccc(Nc3cc([O-])c(F)c(F)c3)cc12 ZINC001216641207 1134937404 /nfs/dbraw/zinc/93/74/04/1134937404.db2.gz PEIJTIJWNYVQKB-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3c2OCCC3)cc1F ZINC001222083213 1135190080 /nfs/dbraw/zinc/19/00/80/1135190080.db2.gz UFHDMBLELLSBGE-UHFFFAOYSA-N -1 1 262.255 3.662 20 0 CHADMM Cc1cc(OC(C)C)ncc1-c1cc(F)c([O-])cc1F ZINC001222083117 1135190358 /nfs/dbraw/zinc/19/03/58/1135190358.db2.gz OPDBRAXUSWVJTN-UHFFFAOYSA-N -1 1 279.286 3.828 20 0 CHADMM CCCCC[C@@H](OCC[P@](=O)([O-])O)[C@@H](C)CCC ZINC001224602547 1135461505 /nfs/dbraw/zinc/46/15/05/1135461505.db2.gz RUPAZMUMKIGLDP-QWHCGFSZSA-N -1 1 280.345 3.566 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001225619535 1135596615 /nfs/dbraw/zinc/59/66/15/1135596615.db2.gz WFDUFDRCADUQEW-UEKVPHQBSA-N -1 1 262.349 3.798 20 0 CHADMM COc1cccc([C@H](C)Oc2cc([O-])ccc2C(C)=O)c1 ZINC001225616582 1135597019 /nfs/dbraw/zinc/59/70/19/1135597019.db2.gz MJNXBXAHHUMDMK-LBPRGKRZSA-N -1 1 286.327 3.743 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001225618619 1135597411 /nfs/dbraw/zinc/59/74/11/1135597411.db2.gz GETKXPZLYSTXFP-CDMJZVDBSA-N -1 1 262.349 3.798 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001225678283 1135606952 /nfs/dbraw/zinc/60/69/52/1135606952.db2.gz FMBRWULPFWTRIL-UWVGGRQHSA-N -1 1 278.348 3.504 20 0 CHADMM CC/C=C(\C)[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225673913 1135607230 /nfs/dbraw/zinc/60/72/30/1135607230.db2.gz BJRGNKIUZMDVMT-DNGMOHDESA-N -1 1 278.348 3.814 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001225674078 1135607391 /nfs/dbraw/zinc/60/73/91/1135607391.db2.gz BQBDANNVDMRUDA-OUJBWJOFSA-N -1 1 278.348 3.504 20 0 CHADMM CCCCC[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225680419 1135607786 /nfs/dbraw/zinc/60/77/86/1135607786.db2.gz ZLTMFOQINRPGLM-SNVBAGLBSA-N -1 1 266.337 3.648 20 0 CHADMM CC[C@@H](C)C[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678833 1135607966 /nfs/dbraw/zinc/60/79/66/1135607966.db2.gz KORPYZPEOVPEIR-ZWNOBZJWSA-N -1 1 280.364 3.894 20 0 CHADMM CCC[C@H](Oc1cc([O-])ccc1C(=O)COC)C(C)(C)C ZINC001227168500 1135793773 /nfs/dbraw/zinc/79/37/73/1135793773.db2.gz JEACPZONKAXGGM-INIZCTEOSA-N -1 1 294.391 3.815 20 0 CHADMM CC(C)[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227384065 1135828339 /nfs/dbraw/zinc/82/83/39/1135828339.db2.gz VZRJLAGFCPMIRR-GFCCVEGCSA-N -1 1 278.352 3.681 20 0 CHADMM [O-]c1cc(Cl)c(OC[C@H]2CCC=CO2)cc1Cl ZINC001227641596 1135852203 /nfs/dbraw/zinc/85/22/03/1135852203.db2.gz PWWPRHZPIGOVMS-MRVPVSSYSA-N -1 1 275.131 3.771 20 0 CHADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000574479708 335022960 /nfs/dbraw/zinc/02/29/60/335022960.db2.gz QUUZOUFEIBHHQG-HNNXBMFYSA-N -1 1 299.345 3.931 20 0 CHADMM CC[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000575108353 335066365 /nfs/dbraw/zinc/06/63/65/335066365.db2.gz YMTVROYTXAXGOY-ZDUSSCGKSA-N -1 1 293.750 3.553 20 0 CHADMM CCCc1cc(=O)n(-c2ccc(C)c(Cl)c2)[n-]1 ZINC000020302801 171139871 /nfs/dbraw/zinc/13/98/71/171139871.db2.gz VRDRCZLDJKAQJE-UHFFFAOYSA-N -1 1 250.729 3.541 20 0 CHADMM C[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC000021517301 171313608 /nfs/dbraw/zinc/31/36/08/171313608.db2.gz QAUFZNFILNVGSZ-GIPNMCIBSA-N -1 1 281.783 3.600 20 0 CHADMM C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000035151786 172015363 /nfs/dbraw/zinc/01/53/63/172015363.db2.gz CLEHVQSYAPCLPN-MLGOLLRUSA-N -1 1 283.371 3.854 20 0 CHADMM CC(C)[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035250125 172080677 /nfs/dbraw/zinc/08/06/77/172080677.db2.gz OTUKBOAUFOZARB-LBPRGKRZSA-N -1 1 271.360 3.662 20 0 CHADMM CC(C)CCO[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445466030 260068180 /nfs/dbraw/zinc/06/81/80/260068180.db2.gz WAAMWXPOPIXETK-SNVBAGLBSA-N -1 1 294.326 3.705 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)ccc2C)o1 ZINC000426770994 260303783 /nfs/dbraw/zinc/30/37/83/260303783.db2.gz YBTRGOBCYSLWDI-OAHLLOKOSA-N -1 1 287.359 3.510 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000176090925 261265068 /nfs/dbraw/zinc/26/50/68/261265068.db2.gz SSYHWHCNUDJAMD-IYBDPMFKSA-N -1 1 295.382 3.808 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460411723 261553595 /nfs/dbraw/zinc/55/35/95/261553595.db2.gz MLSKDFSJYGDDOV-UHFFFAOYSA-N -1 1 289.400 3.919 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC2(CC2)C1 ZINC000184122432 262009633 /nfs/dbraw/zinc/00/96/33/262009633.db2.gz WSEVZKSVTHSBGK-UHFFFAOYSA-N -1 1 281.355 3.562 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCc2sccc21 ZINC000340330790 263114314 /nfs/dbraw/zinc/11/43/14/263114314.db2.gz TXZRKZGTDYELNE-NSHDSACASA-N -1 1 291.347 3.651 20 0 CHADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188560335 264223656 /nfs/dbraw/zinc/22/36/56/264223656.db2.gz NYPZLEAHRFXGMP-UHFFFAOYSA-N -1 1 297.326 3.599 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2[nH]ccc2s1 ZINC000356513388 266128494 /nfs/dbraw/zinc/12/84/94/266128494.db2.gz JXRWREHLHFBEML-UHFFFAOYSA-N -1 1 292.747 3.841 20 0 CHADMM CC(F)(F)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000187380009 327713528 /nfs/dbraw/zinc/71/35/28/327713528.db2.gz MRKYGKFCVDPGJX-UHFFFAOYSA-N -1 1 295.260 3.895 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000378818944 327759559 /nfs/dbraw/zinc/75/95/59/327759559.db2.gz DEKSFYDVEQJLSI-XJKSGUPXSA-N -1 1 281.355 3.560 20 0 CHADMM C[C@@H]1CCCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000186444957 327916808 /nfs/dbraw/zinc/91/68/08/327916808.db2.gz PAXIVQNSDVBGCH-CYBMUJFWSA-N -1 1 283.371 3.808 20 0 CHADMM Cc1nc(CNCc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000426635129 328000435 /nfs/dbraw/zinc/00/04/35/328000435.db2.gz UVKIDUCMIHMUOR-UHFFFAOYSA-N -1 1 298.386 3.501 20 0 CHADMM Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1Cl ZINC000534384137 328050131 /nfs/dbraw/zinc/05/01/31/328050131.db2.gz POUIJOHBRPTAPE-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM COCc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436761407 328189393 /nfs/dbraw/zinc/18/93/93/328189393.db2.gz ZIKNBMWDGWMIIX-UHFFFAOYSA-N -1 1 299.370 3.914 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000048652186 328314547 /nfs/dbraw/zinc/31/45/47/328314547.db2.gz BKYBUMZODKYZTD-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1nccc2ccccc21 ZINC000533614816 326879237 /nfs/dbraw/zinc/87/92/37/326879237.db2.gz FHHOAKZECNSVDO-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000584074925 326919143 /nfs/dbraw/zinc/91/91/43/326919143.db2.gz KLENPOVQIQJAMR-RQOWECAXSA-N -1 1 291.347 3.660 20 0 CHADMM CC(C)(C)/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000255844934 327020592 /nfs/dbraw/zinc/02/05/92/327020592.db2.gz OHFOBBXAUJESIX-SREVYHEPSA-N -1 1 253.729 3.586 20 0 CHADMM [O-]c1ccc(-c2noc(C(F)=C3CCCC3)n2)cc1F ZINC000559979434 327275135 /nfs/dbraw/zinc/27/51/35/327275135.db2.gz GFOVWSWJKXXWOC-UHFFFAOYSA-N -1 1 278.258 3.836 20 0 CHADMM CC[C@]1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000399305993 328690654 /nfs/dbraw/zinc/69/06/54/328690654.db2.gz HTXUXUKMKUEJHL-GOSISDBHSA-N -1 1 283.371 3.808 20 0 CHADMM CN(CC1CCCCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042420466 328767900 /nfs/dbraw/zinc/76/79/00/328767900.db2.gz XGBVEJOXYBOERD-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM CCc1ccccc1CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000582618305 329118659 /nfs/dbraw/zinc/11/86/59/329118659.db2.gz XCWFBVUCMAMJND-UHFFFAOYSA-N -1 1 288.416 3.908 20 0 CHADMM Cc1cccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000583122997 329320279 /nfs/dbraw/zinc/32/02/79/329320279.db2.gz PRPCOASSXPSMEI-UHFFFAOYSA-N -1 1 298.317 3.675 20 0 CHADMM [O-]c1cccc(CN2CCc3ccccc32)c1Cl ZINC000392895096 329397777 /nfs/dbraw/zinc/39/77/77/329397777.db2.gz CGKCLFNYBCKEST-UHFFFAOYSA-N -1 1 259.736 3.608 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)c1 ZINC000025365189 329439076 /nfs/dbraw/zinc/43/90/76/329439076.db2.gz LEWIYUUOGDTZEM-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCC(C)(C)OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000420496440 329769317 /nfs/dbraw/zinc/76/93/17/329769317.db2.gz ZGVDPZQZDOSDPR-UHFFFAOYSA-N -1 1 296.754 3.801 20 0 CHADMM C/C=C(\C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000445426728 330214641 /nfs/dbraw/zinc/21/46/41/330214641.db2.gz LGUWWMKGOAKFHX-XBXARRHUSA-N -1 1 294.738 3.918 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3ccco3)n2)c(Cl)c1 ZINC000445448170 330367553 /nfs/dbraw/zinc/36/75/53/330367553.db2.gz KFWUAODMFNFOCR-GQCTYLIASA-N -1 1 288.690 3.859 20 0 CHADMM CC(C)[C@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449522 330376167 /nfs/dbraw/zinc/37/61/67/330376167.db2.gz ZBBUOIVQIBIFLR-SECBINFHSA-N -1 1 280.755 3.930 20 0 CHADMM CC1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000061804106 330460084 /nfs/dbraw/zinc/46/00/84/330460084.db2.gz SVVUAWOZMKHPGH-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM Cc1cc(F)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445456385 330496385 /nfs/dbraw/zinc/49/63/85/330496385.db2.gz OBQDJZIOHZXCAM-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM Cc1ccc(F)c(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000445457280 330498150 /nfs/dbraw/zinc/49/81/50/330498150.db2.gz PNJDCBGEOLGXHV-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(F)c(Cl)c2)n1 ZINC000436210654 330671007 /nfs/dbraw/zinc/67/10/07/330671007.db2.gz OSKNZASIYHFWHF-UHFFFAOYSA-N -1 1 298.770 3.829 20 0 CHADMM COc1cccc(N(CC(C)C)C(=O)c2ccccc2[O-])c1 ZINC000436537842 330679522 /nfs/dbraw/zinc/67/95/22/330679522.db2.gz GHVZSYUKEKODNV-UHFFFAOYSA-N -1 1 299.370 3.704 20 0 CHADMM CCCC[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436821950 330685887 /nfs/dbraw/zinc/68/58/87/330685887.db2.gz RDVMLZDOILHBBK-SNVBAGLBSA-N -1 1 299.798 3.705 20 0 CHADMM CC(C)[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000438913482 330730886 /nfs/dbraw/zinc/73/08/86/330730886.db2.gz BGQAEUMMTJKDBN-NSHDSACASA-N -1 1 297.345 3.569 20 0 CHADMM Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1F ZINC000445482768 330829657 /nfs/dbraw/zinc/82/96/57/330829657.db2.gz QFZPJXLQJSYYFB-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000445482589 330829679 /nfs/dbraw/zinc/82/96/79/330829679.db2.gz SODNAVYUDMKIGW-LLVKDONJSA-N -1 1 298.317 3.928 20 0 CHADMM CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000452986195 331082861 /nfs/dbraw/zinc/08/28/61/331082861.db2.gz DCSSDEFUAIDPPF-MRXNPFEDSA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)N(C(=O)c1cc(F)ccc1[O-])C1CC(C)(C)C1 ZINC000457081839 331211804 /nfs/dbraw/zinc/21/18/04/331211804.db2.gz XQGRWOMSYGGWCO-UHFFFAOYSA-N -1 1 279.355 3.571 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cc2F)CC12CCCC2 ZINC000457103936 331212369 /nfs/dbraw/zinc/21/23/69/331212369.db2.gz BJYGRNDBNSZYIV-HNNXBMFYSA-N -1 1 291.366 3.572 20 0 CHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)C1=CCCC1 ZINC000457173309 331213776 /nfs/dbraw/zinc/21/37/76/331213776.db2.gz BKTKWDBLDNYIOB-UHFFFAOYSA-N -1 1 295.329 3.537 20 0 CHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccsc2)c1C ZINC000462107159 331317329 /nfs/dbraw/zinc/31/73/29/331317329.db2.gz XVWNUZYVPHZECL-UHFFFAOYSA-N -1 1 295.429 3.783 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000477415757 331683667 /nfs/dbraw/zinc/68/36/67/331683667.db2.gz SXDSYIOGIDAVHQ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCc1ccc(C(=O)Nc2ncsc2C(C)C)c([O-])c1 ZINC000575788357 335115048 /nfs/dbraw/zinc/11/50/48/335115048.db2.gz MIKQPTDVTIHDQK-UHFFFAOYSA-N -1 1 290.388 3.787 20 0 CHADMM [O-]c1cccc(CN2CCCC[C@H]2C(F)F)c1Cl ZINC000513516310 333023615 /nfs/dbraw/zinc/02/36/15/333023615.db2.gz UTQAPYMTNWUZRS-JTQLQIEISA-N -1 1 275.726 3.665 20 0 CHADMM Cc1cc(F)cc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000230228903 333316029 /nfs/dbraw/zinc/31/60/29/333316029.db2.gz OSLUDCMBTGIBLB-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CCN(CC1CCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000230319196 333316531 /nfs/dbraw/zinc/31/65/31/333316531.db2.gz MADUHCZSDUFECP-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM C[C@@H](CC(F)(F)F)NC(=O)c1cc2ccccc2cc1[O-] ZINC000231754124 333329246 /nfs/dbraw/zinc/32/92/46/333329246.db2.gz ZRLKIRCZQOVFHD-VIFPVBQESA-N -1 1 297.276 3.616 20 0 CHADMM Cn1c2ccccc2nc1-c1ccc([O-])c(Cl)c1 ZINC000037323723 333532195 /nfs/dbraw/zinc/53/21/95/333532195.db2.gz HUWDXENEMLTNHO-UHFFFAOYSA-N -1 1 258.708 3.599 20 0 CHADMM CC[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000037915258 333542578 /nfs/dbraw/zinc/54/25/78/333542578.db2.gz HCXVYJPMFUIENI-AWEZNQCLSA-N -1 1 269.344 3.560 20 0 CHADMM CCCC[C@@H](CC)CNC(=O)c1c(F)ccc([O-])c1F ZINC000539163184 333660311 /nfs/dbraw/zinc/66/03/11/333660311.db2.gz DIGDUZNGAFZAIT-SNVBAGLBSA-N -1 1 285.334 3.617 20 0 CHADMM CC(C)c1ccc2nc(-c3ccc([O-])c(F)c3)[nH]c(=O)c2c1 ZINC000128661797 333693070 /nfs/dbraw/zinc/69/30/70/333693070.db2.gz CLVRGVXKRTYITP-UHFFFAOYSA-N -1 1 298.317 3.558 20 0 CHADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000131398374 333933846 /nfs/dbraw/zinc/93/38/46/333933846.db2.gz STRSPNZHWZWCFX-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H]1C[C@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000088055507 334332629 /nfs/dbraw/zinc/33/26/29/334332629.db2.gz PRMRAAJLCNNFHZ-TVQRCGJNSA-N -1 1 266.300 3.719 20 0 CHADMM CCc1cc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000157280890 334765706 /nfs/dbraw/zinc/76/57/06/334765706.db2.gz QRNFVOOANOEZQY-UHFFFAOYSA-N -1 1 279.723 3.762 20 0 CHADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccsc2)cs1 ZINC000576589713 335223424 /nfs/dbraw/zinc/22/34/24/335223424.db2.gz BUHNSNUEGOGQNR-LBPRGKRZSA-N -1 1 293.413 3.845 20 0 CHADMM CCc1ccccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000577426521 335351431 /nfs/dbraw/zinc/35/14/31/335351431.db2.gz COOAGESTSQVITQ-UHFFFAOYSA-N -1 1 296.342 3.975 20 0 CHADMM C[C@@H]1CCCC[C@H]1c1noc(-c2cc(F)ccc2[O-])n1 ZINC000384959448 336135123 /nfs/dbraw/zinc/13/51/23/336135123.db2.gz HDSNQPNDNFPPTP-MWLCHTKSSA-N -1 1 276.311 3.875 20 0 CHADMM CC[C@@H](SC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278213081 523078458 /nfs/dbraw/zinc/07/84/58/523078458.db2.gz QLFRZCHXVZKZPH-SNVBAGLBSA-N -1 1 284.768 3.910 20 0 CHADMM CC[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278226019 523370732 /nfs/dbraw/zinc/37/07/32/523370732.db2.gz RFIHRYGWNNJKTC-BXKDBHETSA-N -1 1 294.738 3.726 20 0 CHADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340329457 525445364 /nfs/dbraw/zinc/44/53/64/525445364.db2.gz GQXGGUYNJVFLIQ-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM CSc1ccccc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000264996217 526176129 /nfs/dbraw/zinc/17/61/29/526176129.db2.gz LMRYTJJLOHVDOG-UHFFFAOYSA-N -1 1 276.361 3.772 20 0 CHADMM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000566358796 600217714 /nfs/dbraw/zinc/21/77/14/600217714.db2.gz MEKFMGHGCFWKHF-CQSZACIVSA-N -1 1 289.331 3.525 20 0 CHADMM CCCCc1oc2ccccc2c1CN(C)[C@@H](C)C(=O)[O-] ZINC000236921416 600947813 /nfs/dbraw/zinc/94/78/13/600947813.db2.gz AHUMECXOIWANAZ-LBPRGKRZSA-N -1 1 289.375 3.680 20 0 CHADMM Cc1ccc([C@@H]2CCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000738581900 600968830 /nfs/dbraw/zinc/96/88/30/600968830.db2.gz GAPXRMGWNNSTIA-ZDUSSCGKSA-N -1 1 289.331 3.606 20 0 CHADMM C/C(=C/CN1Cc2ccccc2-c2ccccc2C1)C(=O)[O-] ZINC000825747208 601054044 /nfs/dbraw/zinc/05/40/44/601054044.db2.gz QQPKOBFVRKCKPY-UVTDQMKNSA-N -1 1 293.366 3.700 20 0 CHADMM C/C(=C\CN1Cc2ccccc2-c2ccccc2C1)C(=O)[O-] ZINC000825747206 601054089 /nfs/dbraw/zinc/05/40/89/601054089.db2.gz QQPKOBFVRKCKPY-GXDHUFHOSA-N -1 1 293.366 3.700 20 0 CHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000828424705 601178748 /nfs/dbraw/zinc/17/87/48/601178748.db2.gz RXVKHLBIWSCLQJ-WQGACYEGSA-N -1 1 285.343 3.732 20 0 CHADMM CC1(C)CN(Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828074986 601182805 /nfs/dbraw/zinc/18/28/05/601182805.db2.gz XZQZIKOPYALTSC-HNNXBMFYSA-N -1 1 285.343 3.561 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000235221842 601935949 /nfs/dbraw/zinc/93/59/49/601935949.db2.gz ANAPIFPMSGYPTM-SECBINFHSA-N -1 1 295.791 3.951 20 0 CHADMM C[C@@H](c1ccccc1Cl)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548529 604533248 /nfs/dbraw/zinc/53/32/48/604533248.db2.gz DOJVCZDWKZNSKZ-JTQLQIEISA-N -1 1 292.766 3.559 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000233897369 605086115 /nfs/dbraw/zinc/08/61/15/605086115.db2.gz QOFZCEWBKCNYKM-OAHLLOKOSA-N -1 1 273.332 3.527 20 0 CHADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000833739120 605845408 /nfs/dbraw/zinc/84/54/08/605845408.db2.gz JBDJKTRTTZDAHP-LLVKDONJSA-N -1 1 289.762 3.889 20 0 CHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000050507710 957492635 /nfs/dbraw/zinc/49/26/35/957492635.db2.gz XVWKHYGKDDODDY-NHYWBVRUSA-N -1 1 289.762 3.817 20 0 CHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000062015238 957597087 /nfs/dbraw/zinc/59/70/87/957597087.db2.gz DACFXSAGRSKGCF-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM C[C@H](c1ccc(Cl)cc1)N(C)Cc1occc1C(=O)[O-] ZINC000062015128 957597112 /nfs/dbraw/zinc/59/71/12/957597112.db2.gz FTHNYJFYVWZOSQ-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000122798983 958489074 /nfs/dbraw/zinc/48/90/74/958489074.db2.gz OVTATECWTFJJDG-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM Cc1ccc2nc(SCCC3(C(=O)[O-])CCC3)[nH]c2c1 ZINC001594381554 958629736 /nfs/dbraw/zinc/62/97/36/958629736.db2.gz MUWHHBKFKPVBOR-UHFFFAOYSA-N -1 1 290.388 3.608 20 0 CHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC000211418201 959684636 /nfs/dbraw/zinc/68/46/36/959684636.db2.gz PFWMMJBKRKFPTN-XHDPSFHLSA-N -1 1 289.762 3.817 20 0 CHADMM Cc1ccccc1[C@H](NCc1ccccc1Cl)C(=O)[O-] ZINC000212144449 959709164 /nfs/dbraw/zinc/70/91/64/959709164.db2.gz GNGNLQHOZGGRPF-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000235215031 960398854 /nfs/dbraw/zinc/39/88/54/960398854.db2.gz LHJNDESHQPWQAF-LLVKDONJSA-N -1 1 289.762 3.889 20 0 CHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1c(F)cccc1Cl ZINC000530179916 974365039 /nfs/dbraw/zinc/36/50/39/974365039.db2.gz OOUTZHGRYZWHFX-JGPRNRPPSA-N -1 1 299.773 3.553 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CCCC1CCCC1)C2 ZINC000659790608 975878778 /nfs/dbraw/zinc/87/87/78/975878778.db2.gz CXXWKPALWBYLNV-UHFFFAOYSA-N -1 1 273.376 3.671 20 0 CHADMM CC[C@@H](NCc1occc1C(=O)[O-])c1ccc(Cl)s1 ZINC001595306336 980457811 /nfs/dbraw/zinc/45/78/11/980457811.db2.gz ZXDPKFSLLMKBRF-SECBINFHSA-N -1 1 299.779 3.934 20 0 CHADMM CCCCC[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901727035 980467634 /nfs/dbraw/zinc/46/76/34/980467634.db2.gz QNFBUCZMOBJKQN-GFCCVEGCSA-N -1 1 298.452 3.564 20 0 CHADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000901848601 980573056 /nfs/dbraw/zinc/57/30/56/980573056.db2.gz GEKSAINNZWFQQJ-OAHLLOKOSA-N -1 1 289.400 3.589 20 0 CHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001599901622 984842055 /nfs/dbraw/zinc/84/20/55/984842055.db2.gz MJTHYORWUFDRQG-LBPRGKRZSA-N -1 1 299.370 3.707 20 0 CHADMM C/C(=C/c1ccccc1)CN[C@@H](C(=O)[O-])c1cccs1 ZINC001589003501 984953070 /nfs/dbraw/zinc/95/30/70/984953070.db2.gz BZRBKCIVEJYEDQ-KUGGDMIFSA-N -1 1 287.384 3.567 20 0 CHADMM CC(C)(NCc1csc(C(=O)[O-])c1)c1ccccc1F ZINC001590872599 990779945 /nfs/dbraw/zinc/77/99/45/990779945.db2.gz JCAGYTHEEJAJTN-UHFFFAOYSA-N -1 1 293.363 3.610 20 0 CHADMM Cc1cc(F)nc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486547 1120285985 /nfs/dbraw/zinc/28/59/85/1120285985.db2.gz MJWUWSLFSMSBQN-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM COc1cc(N)ccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489694 1120310975 /nfs/dbraw/zinc/31/09/75/1120310975.db2.gz HPYLPIOSUULMEK-UHFFFAOYSA-N -1 1 282.702 3.519 20 0 CHADMM C[C@@H](NCc1ccc2ccccc2c1)c1cc(C(=O)[O-])co1 ZINC001593303426 994734557 /nfs/dbraw/zinc/73/45/57/994734557.db2.gz DEZJWQAPFMKDMT-GFCCVEGCSA-N -1 1 295.338 3.982 20 0 CHADMM C[C@@H](c1ccccc1F)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716989 996233811 /nfs/dbraw/zinc/23/38/11/996233811.db2.gz GHTYCQVHKLHIJQ-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCC2(CCCC2)C1 ZINC001593732120 996307709 /nfs/dbraw/zinc/30/77/09/996307709.db2.gz OJSNGYSKMOVVPF-NSHDSACASA-N -1 1 294.420 3.559 20 0 CHADMM Cc1c(O)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673737 1121672857 /nfs/dbraw/zinc/67/28/57/1121672857.db2.gz YSPLCYRPWMXIAS-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM [O-]c1cc(Cc2cc(F)ccc2F)ccc1Cl ZINC001250094053 1122198661 /nfs/dbraw/zinc/19/86/61/1122198661.db2.gz YAGAAVRHKOJGMB-UHFFFAOYSA-N -1 1 254.663 3.915 20 0 CHADMM CC[C@H](C)COC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001194800033 1122803977 /nfs/dbraw/zinc/80/39/77/1122803977.db2.gz CZOBUHVPRWWJOL-ZETCQYMHSA-N -1 1 275.707 3.779 20 0 CHADMM CC(C)CCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674129 1123477030 /nfs/dbraw/zinc/47/70/30/1123477030.db2.gz HYNNMYFKTHFOPK-UHFFFAOYSA-N -1 1 259.708 3.559 20 0 CHADMM CC(C)CC[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858448007 1123655175 /nfs/dbraw/zinc/65/51/75/1123655175.db2.gz USNUQIWRNXCLFS-LLVKDONJSA-N -1 1 283.803 3.631 20 0 CHADMM CCC[C@H]1CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389261 1123650229 /nfs/dbraw/zinc/65/02/29/1123650229.db2.gz DOSIJJCRWNMRKB-VHSXEESVSA-N -1 1 269.776 3.606 20 0 CHADMM O=C([N-]c1c(F)cc(F)cc1F)c1sccc1F ZINC001126693926 1125361323 /nfs/dbraw/zinc/36/13/23/1125361323.db2.gz MKQOILGLVNFWBR-UHFFFAOYSA-N -1 1 275.226 3.557 20 0 CHADMM Cc1cc(CO)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001212756158 1132513364 /nfs/dbraw/zinc/51/33/64/1132513364.db2.gz DMBJNKUGOJNCLX-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CC[C@@H](C)C1 ZINC001233649950 1132656754 /nfs/dbraw/zinc/65/67/54/1132656754.db2.gz GGYNHEWQNKFWME-YPMHNXCESA-N -1 1 262.349 3.942 20 0 CHADMM CCC[C@H](C(=O)[N-]OCC(C)C)c1ccc(Cl)cc1 ZINC001161057412 1132992081 /nfs/dbraw/zinc/99/20/81/1132992081.db2.gz YHUACEBPXWPCAM-AWEZNQCLSA-N -1 1 283.799 3.928 20 0 CHADMM Cc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1O ZINC001215741667 1134670938 /nfs/dbraw/zinc/67/09/38/1134670938.db2.gz PVVSSAIDNOXAGP-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM Cc1nsc([N-]c2ccc(C(C)C)nc2Cl)n1 ZINC001216443129 1134899122 /nfs/dbraw/zinc/89/91/22/1134899122.db2.gz ICKCSOWJGGKRNV-UHFFFAOYSA-N -1 1 268.773 3.762 20 0 CHADMM COCc1ccc(-c2cc(F)c([O-])cc2F)c(C)c1 ZINC001222082422 1135189657 /nfs/dbraw/zinc/18/96/57/1135189657.db2.gz DEBVMYYYCCCGOK-UHFFFAOYSA-N -1 1 264.271 3.792 20 0 CHADMM CC(=O)c1ccc([O-])cc1OC(C(C)C)C(C)C ZINC001225617241 1135597217 /nfs/dbraw/zinc/59/72/17/1135597217.db2.gz WOLAPTHSMYYJBL-UHFFFAOYSA-N -1 1 250.338 3.654 20 0 CHADMM Cc1cc(O)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000134250469 1125549728 /nfs/dbraw/zinc/54/97/28/1125549728.db2.gz LMCUAAIIVUZEOX-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM C/C(=C(\F)C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885680145 1125620773 /nfs/dbraw/zinc/62/07/73/1125620773.db2.gz MQFPBEBZVOZJNK-WUXMJOGZSA-N -1 1 287.693 3.777 20 0 CHADMM CCC[C@@H](CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000110325390 1125628698 /nfs/dbraw/zinc/62/86/98/1125628698.db2.gz CMXUKNATKFABDN-CQSZACIVSA-N -1 1 271.360 3.854 20 0 CHADMM CCCC[C@@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000615067297 1125734428 /nfs/dbraw/zinc/73/44/28/1125734428.db2.gz ZVOVXFXRLOGBPV-GFCCVEGCSA-N -1 1 286.375 3.591 20 0 CHADMM CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711446 1125780956 /nfs/dbraw/zinc/78/09/56/1125780956.db2.gz ZAAQMCFXBCNUIY-ZIAGYGMSSA-N -1 1 297.826 3.681 20 0 CHADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000176525055 1126792120 /nfs/dbraw/zinc/79/21/20/1126792120.db2.gz WFYFJEUBUSDMCW-DOMZBBRYSA-N -1 1 299.345 3.550 20 0 CHADMM Cc1ccsc1CN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000568757211 1126882376 /nfs/dbraw/zinc/88/23/76/1126882376.db2.gz CUIRNWKOZIYLIF-LLVKDONJSA-N -1 1 293.388 3.849 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCC(C2CC2)CC1 ZINC000909988742 1127043715 /nfs/dbraw/zinc/04/37/15/1127043715.db2.gz YPOUVDHGOJRSEE-UHFFFAOYSA-N -1 1 295.329 3.825 20 0 CHADMM CC(C)(CC(=O)Nc1cc([O-])c(F)cc1F)CC(F)F ZINC000909970950 1127042252 /nfs/dbraw/zinc/04/22/52/1127042252.db2.gz BJGWCAPUMXBXCW-UHFFFAOYSA-N -1 1 293.260 3.680 20 0 CHADMM CCOc1cc(C(=O)N(C)CC(C)(C)C)cc(Cl)c1[O-] ZINC000273937236 1127102792 /nfs/dbraw/zinc/10/27/92/1127102792.db2.gz JGBJXVBUJURSPV-UHFFFAOYSA-N -1 1 299.798 3.562 20 0 CHADMM CC[C@H]1CCCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669041737 1127114633 /nfs/dbraw/zinc/11/46/33/1127114633.db2.gz OQKHVKJSJPIGLF-AWEZNQCLSA-N -1 1 298.386 3.735 20 0 CHADMM O=C(Nc1ccccc1C(F)F)c1ccccc1[O-] ZINC001299753650 1127140975 /nfs/dbraw/zinc/14/09/75/1127140975.db2.gz VRLJTXUUMZLFTJ-UHFFFAOYSA-N -1 1 263.243 3.582 20 0 CHADMM Nc1ccc(-c2nc(C3CCCCCCC3)no2)c([O-])c1 ZINC000156728731 1127178224 /nfs/dbraw/zinc/17/82/24/1127178224.db2.gz MSBWVRBDZJWSFJ-UHFFFAOYSA-N -1 1 287.363 3.852 20 0 CHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1=CCCCCC1 ZINC000352486119 1127236578 /nfs/dbraw/zinc/23/65/78/1127236578.db2.gz MUGVNDHFMYNQIB-UHFFFAOYSA-N -1 1 297.358 3.611 20 0 CHADMM CCCC[C@@H](OCCCC[P@](=O)([O-])O)[C@@H](C)CCC ZINC001225018673 1127320137 /nfs/dbraw/zinc/32/01/37/1127320137.db2.gz DXMVFRKLIYIVGP-UONOGXRCSA-N -1 1 294.372 3.956 20 0 CHADMM C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000288938363 1127367090 /nfs/dbraw/zinc/36/70/90/1127367090.db2.gz ATAVXMGXJSERDW-RWYTXXIDSA-N -1 1 294.738 3.582 20 0 CHADMM CC[C@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000761020482 1127385688 /nfs/dbraw/zinc/38/56/88/1127385688.db2.gz BUQJFBLTUAMFHZ-SSDOTTSWSA-N -1 1 295.688 3.506 20 0 CHADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000062877658 1127780570 /nfs/dbraw/zinc/78/05/70/1127780570.db2.gz MGHBTJHRCWRDMI-OAHLLOKOSA-N -1 1 299.773 3.556 20 0 CHADMM O=C(C[C@H]1CCCc2ccccc21)Nc1c([O-])cccc1F ZINC000608365941 1127862351 /nfs/dbraw/zinc/86/23/51/1127862351.db2.gz MAQYZGCHPWYFRJ-CYBMUJFWSA-N -1 1 299.345 3.980 20 0 CHADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000608366353 1127862724 /nfs/dbraw/zinc/86/27/24/1127862724.db2.gz SPHVJODHMYSHLD-ZDUSSCGKSA-N -1 1 287.334 3.739 20 0 CHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000608366356 1127862984 /nfs/dbraw/zinc/86/29/84/1127862984.db2.gz SRYQSHNMXAFYLR-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM O=C(C[C@@H]1CCc2ccccc2C1)Nc1c([O-])cccc1F ZINC000608365254 1127863139 /nfs/dbraw/zinc/86/31/39/1127863139.db2.gz DBJKLJQXVKDGCO-GFCCVEGCSA-N -1 1 299.345 3.665 20 0 CHADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000374112302 1127874437 /nfs/dbraw/zinc/87/44/37/1127874437.db2.gz BMRREUDRERGLEC-JOCQHMNTSA-N -1 1 299.345 3.516 20 0 CHADMM Cc1ccsc1CN(C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000516657138 1127882439 /nfs/dbraw/zinc/88/24/39/1127882439.db2.gz VLAUVFLFNTXCNP-JTQLQIEISA-N -1 1 293.388 3.849 20 0 CHADMM [O-]c1c(F)ccc(CN2Cc3ccc(Cl)cc3C2)c1F ZINC001232936637 1127903216 /nfs/dbraw/zinc/90/32/16/1127903216.db2.gz FGUGQCHZCADHNL-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM Cc1noc(C(F)F)c1C(=O)[N-]c1cscc1Cl ZINC001288449483 1127928893 /nfs/dbraw/zinc/92/88/93/1127928893.db2.gz OCXPTUMEZKTNQO-UHFFFAOYSA-N -1 1 292.694 3.888 20 0 CHADMM COCc1ccccc1NCc1cccc([O-])c1Cl ZINC000336886485 1129224173 /nfs/dbraw/zinc/22/41/73/1129224173.db2.gz CAJVCLVNNGWWEX-UHFFFAOYSA-N -1 1 277.751 3.804 20 0 CHADMM O=C(C=C1CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000762792854 1128317909 /nfs/dbraw/zinc/31/79/09/1128317909.db2.gz FGCJMAAROQQNPI-UHFFFAOYSA-N -1 1 297.358 3.611 20 0 CHADMM CC(C)C(C)(C)SCC(=O)c1ccc([O-])cc1 ZINC000762980290 1128341514 /nfs/dbraw/zinc/34/15/14/1128341514.db2.gz QONCJNDHUSBIIR-UHFFFAOYSA-N -1 1 252.379 3.743 20 0 CHADMM CCCCN(C(=O)c1ncccc1[O-])[C@H](C)c1ccccc1 ZINC000124126096 1128441973 /nfs/dbraw/zinc/44/19/73/1128441973.db2.gz HCDOLRAJJSXNBY-CQSZACIVSA-N -1 1 298.386 3.791 20 0 CHADMM C[C@@H]1CC[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000126983854 1128471052 /nfs/dbraw/zinc/47/10/52/1128471052.db2.gz FFVSEKKUVFUPQT-ZJUUUORDSA-N -1 1 267.756 3.810 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccc(Cl)cc2C)c1=O ZINC000917345770 1128494946 /nfs/dbraw/zinc/49/49/46/1128494946.db2.gz JPNZXZPGAXFUMV-LBPRGKRZSA-N -1 1 264.756 3.787 20 0 CHADMM CCc1nc(SCCc2ccc(C)cc2)[n-]c(=O)c1C ZINC000565547979 1128528387 /nfs/dbraw/zinc/52/83/87/1128528387.db2.gz DHGMFFVHDQHHEV-UHFFFAOYSA-N -1 1 288.416 3.696 20 0 CHADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2cc(Cl)ccc12 ZINC000556057226 1128542944 /nfs/dbraw/zinc/54/29/44/1128542944.db2.gz ULLSRRNZWYTGBL-UHFFFAOYSA-N -1 1 297.701 3.797 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(F)cc1F ZINC000070333904 1128562117 /nfs/dbraw/zinc/56/21/17/1128562117.db2.gz WIVAJECDXYMUOP-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1csc(C)c1 ZINC000649161617 1128578746 /nfs/dbraw/zinc/57/87/46/1128578746.db2.gz CLOHESMMFAVSLR-CQSZACIVSA-N -1 1 293.363 3.782 20 0 CHADMM Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1F ZINC000384456478 1128725517 /nfs/dbraw/zinc/72/55/17/1128725517.db2.gz LGFZBVCBUJVINS-LBPRGKRZSA-N -1 1 293.363 3.501 20 0 CHADMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1SC ZINC000049487872 1117754061 /nfs/dbraw/zinc/75/40/61/1117754061.db2.gz OINJKXYABCEJDK-POHAHGRESA-N -1 1 297.426 3.746 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000082192963 1117793916 /nfs/dbraw/zinc/79/39/16/1117793916.db2.gz VOSKGENJGSQEHY-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM CC(C)N(CC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000048185942 1118033329 /nfs/dbraw/zinc/03/33/29/1118033329.db2.gz PNLORMYRUXTAQA-UHFFFAOYSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000075913493 1118072090 /nfs/dbraw/zinc/07/20/90/1118072090.db2.gz SBNSTGXUHKFDIK-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM COc1ccc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001209841369 1118097419 /nfs/dbraw/zinc/09/74/19/1118097419.db2.gz LKINUHKTSNZKHD-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM C=Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001209918712 1118111669 /nfs/dbraw/zinc/11/16/69/1118111669.db2.gz VYZYMWCGERDQCO-UHFFFAOYSA-N -1 1 279.295 3.885 20 0 CHADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164690102 1118160297 /nfs/dbraw/zinc/16/02/97/1118160297.db2.gz OVMPCSWISSXVOM-GFCCVEGCSA-N -1 1 299.773 3.698 20 0 CHADMM [O-]c1cc(F)ccc1-c1cccnc1C(F)(F)F ZINC000706154852 1118163089 /nfs/dbraw/zinc/16/30/89/1118163089.db2.gz RWXIYTHPESYHMZ-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM COc1ccc(OC)c(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343419 1118243030 /nfs/dbraw/zinc/24/30/30/1118243030.db2.gz DYBXUUMYNVJXDF-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000082192678 1118334750 /nfs/dbraw/zinc/33/47/50/1118334750.db2.gz SMNPAZUAAWLWDO-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCC(C2CC2)CC1 ZINC000616099544 1128775388 /nfs/dbraw/zinc/77/53/88/1128775388.db2.gz BPRGBFDXYNCZPB-UHFFFAOYSA-N -1 1 295.329 3.825 20 0 CHADMM Cc1c(Cl)cccc1C(=O)Nc1c([O-])cccc1F ZINC000683864355 1118419576 /nfs/dbraw/zinc/41/95/76/1118419576.db2.gz JOYSPKDEIGUMKR-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CCOC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211340180 1118505315 /nfs/dbraw/zinc/50/53/15/1118505315.db2.gz SVJNYLNWRIIHNO-UHFFFAOYSA-N -1 1 292.281 3.823 20 0 CHADMM CCOC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001211352138 1118507474 /nfs/dbraw/zinc/50/74/74/1118507474.db2.gz HZXCDFIYOGKRTK-UHFFFAOYSA-N -1 1 296.244 3.653 20 0 CHADMM CC1(CNC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000111622927 1118522315 /nfs/dbraw/zinc/52/23/15/1118522315.db2.gz SPKSVECZUFLVAD-UHFFFAOYSA-N -1 1 283.371 3.856 20 0 CHADMM COc1ccccc1[C@H](C)NCc1ccc([O-])c(F)c1F ZINC001207225672 1118738518 /nfs/dbraw/zinc/73/85/18/1118738518.db2.gz OAAJBRHTZZRXCE-JTQLQIEISA-N -1 1 293.313 3.530 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616729340 1128798394 /nfs/dbraw/zinc/79/83/94/1128798394.db2.gz FLFUMBLIXRJFOT-HOCLYGCPSA-N -1 1 281.355 3.560 20 0 CHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)ccc1-c1ccccc1 ZINC000779275131 1128820046 /nfs/dbraw/zinc/82/00/46/1128820046.db2.gz ACZBZGPIUQPURF-UHFFFAOYSA-N -1 1 293.288 3.841 20 0 CHADMM CCCc1nc(C(=O)[N-]c2cccc(F)c2SC)co1 ZINC000617275258 1128827449 /nfs/dbraw/zinc/82/74/49/1128827449.db2.gz ZBNNZLPLSKNACQ-UHFFFAOYSA-N -1 1 294.351 3.740 20 0 CHADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([O-])cc1F ZINC000226715899 1119304508 /nfs/dbraw/zinc/30/45/08/1119304508.db2.gz WNZBEVIONPWFBY-SNVBAGLBSA-N -1 1 291.297 3.504 20 0 CHADMM COC(=O)c1c[n-]c(SCCC2CCCCCC2)n1 ZINC001307332412 1119406006 /nfs/dbraw/zinc/40/60/06/1119406006.db2.gz WTGBMGGVELQLQP-UHFFFAOYSA-N -1 1 282.409 3.649 20 0 CHADMM CCC(CC)CN(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000047910610 1119407886 /nfs/dbraw/zinc/40/78/86/1119407886.db2.gz IKTBNMNSFHQUBD-UHFFFAOYSA-N -1 1 283.799 3.944 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(-c2ncc[nH]2)cc1 ZINC001213090764 1119417779 /nfs/dbraw/zinc/41/77/79/1119417779.db2.gz FKEKARIXNKRIIJ-UHFFFAOYSA-N -1 1 287.269 3.804 20 0 CHADMM CCC[C@@]1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000343744648 1119501032 /nfs/dbraw/zinc/50/10/32/1119501032.db2.gz XSKSFBWUTXZIHW-INIZCTEOSA-N -1 1 297.345 3.713 20 0 CHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])C1CC(C)(C)C1 ZINC000413986950 1119843694 /nfs/dbraw/zinc/84/36/94/1119843694.db2.gz JCCGLWKZNCQSNB-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2c(c1)OCO2 ZINC000190811419 1128882321 /nfs/dbraw/zinc/88/23/21/1128882321.db2.gz CMYDAWSNZFIXEO-UHFFFAOYSA-N -1 1 295.697 3.526 20 0 CHADMM CCCC[C@H](CC)C(=O)Nc1cccc(F)c1[O-] ZINC000628960585 1128888532 /nfs/dbraw/zinc/88/85/32/1128888532.db2.gz LDKXTSYWEBUYFQ-JTQLQIEISA-N -1 1 253.317 3.686 20 0 CHADMM CC(=Cc1ccc(Cl)cc1)C=C1SC(=S)[N-]C1=O ZINC000167145121 1120076930 /nfs/dbraw/zinc/07/69/30/1120076930.db2.gz VEOPEWMMQZNUAC-NFNKYSHCSA-N -1 1 295.816 3.775 20 0 CHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc(F)c1[O-] ZINC000628960601 1128888652 /nfs/dbraw/zinc/88/86/52/1128888652.db2.gz QRAJQUYCYCZPQL-BXUZGUMPSA-N -1 1 299.292 3.685 20 0 CHADMM CCc1c(C)[n-]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000103316147 1120096495 /nfs/dbraw/zinc/09/64/95/1120096495.db2.gz BGKAAYDZUPOKMM-VIFPVBQESA-N -1 1 271.147 3.742 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000180543259 1120099580 /nfs/dbraw/zinc/09/95/80/1120099580.db2.gz LSBRUDOEAOCNSY-MPKXVKKWSA-N -1 1 293.794 3.696 20 0 CHADMM CC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000180594205 1120100847 /nfs/dbraw/zinc/10/08/47/1120100847.db2.gz SRJBESYZPUIWGV-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM O=C(c1ccc([O-])cc1F)N(CC1CC1)c1ccccc1 ZINC000182028036 1120113186 /nfs/dbraw/zinc/11/31/86/1120113186.db2.gz HFIAGSAKNADCOG-UHFFFAOYSA-N -1 1 285.318 3.588 20 0 CHADMM Nc1ccc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001212439588 1120229616 /nfs/dbraw/zinc/22/96/16/1120229616.db2.gz VXHJZVQQIAYNCQ-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001625894253 1120243820 /nfs/dbraw/zinc/24/38/20/1120243820.db2.gz UIJQNIYPDCKSPB-ZJUUUORDSA-N -1 1 283.318 3.825 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc3c(c2)CCO3)cc1Cl ZINC001214490381 1120319653 /nfs/dbraw/zinc/31/96/53/1120319653.db2.gz VIDGSRXHPFTQEU-UHFFFAOYSA-N -1 1 279.698 3.863 20 0 CHADMM CCCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000310171688 1120404395 /nfs/dbraw/zinc/40/43/95/1120404395.db2.gz LERBXYCQAPOMMM-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(Cl)cs2)o1 ZINC000417576622 1120461829 /nfs/dbraw/zinc/46/18/29/1120461829.db2.gz UZGXIXSGMHWHIZ-NSHDSACASA-N -1 1 299.779 3.609 20 0 CHADMM CSc1cc(C)c(-c2cc(F)c([O-])cc2F)cn1 ZINC001222083157 1120480649 /nfs/dbraw/zinc/48/06/49/1120480649.db2.gz QLDIQFITODMEPA-UHFFFAOYSA-N -1 1 267.300 3.763 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000047367643 1120648741 /nfs/dbraw/zinc/64/87/41/1120648741.db2.gz MZJFWAGBWYCYRS-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CSc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000047367590 1120648905 /nfs/dbraw/zinc/64/89/05/1120648905.db2.gz GFQWWZRIGMMWOY-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000047367543 1120648931 /nfs/dbraw/zinc/64/89/31/1120648931.db2.gz LUCQRQOKSZHKGF-UHFFFAOYSA-N -1 1 289.400 3.919 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC12CCCC2 ZINC000652580371 1120889553 /nfs/dbraw/zinc/88/95/53/1120889553.db2.gz MWYVUHQXUTUCRN-UHFFFAOYSA-N -1 1 281.355 3.704 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2cc[nH]c2c1 ZINC001174755377 1121040200 /nfs/dbraw/zinc/04/02/00/1121040200.db2.gz QMXSOHVAZDDSAL-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM Cc1cc(Nc2cc(Cl)c(C)c(Cl)c2[O-])n(C)n1 ZINC001174830994 1121050586 /nfs/dbraw/zinc/05/05/86/1121050586.db2.gz MIBAXLGXCKRCTM-UHFFFAOYSA-N -1 1 286.162 3.793 20 0 CHADMM Cc1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001174887115 1121061697 /nfs/dbraw/zinc/06/16/97/1121061697.db2.gz GOWKQCGNTWJNLZ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCC1 ZINC000674133546 1121095091 /nfs/dbraw/zinc/09/50/91/1121095091.db2.gz CRMKREPLUQPUMN-LLVKDONJSA-N -1 1 299.374 3.547 20 0 CHADMM COc1cccc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001174993595 1121121928 /nfs/dbraw/zinc/12/19/28/1121121928.db2.gz CBTMYXLNSSVWPP-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001175010028 1121132592 /nfs/dbraw/zinc/13/25/92/1121132592.db2.gz FFDKZDAEFXLYKM-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1cc(Nc2ccnc(Cl)c2[O-])ccc1C ZINC001175014449 1121134678 /nfs/dbraw/zinc/13/46/78/1121134678.db2.gz OJGIERRKKJHKJD-UHFFFAOYSA-N -1 1 264.712 3.501 20 0 CHADMM COc1cc(Nc2ccc(F)c(F)c2[O-])ccc1C ZINC001175018331 1121136722 /nfs/dbraw/zinc/13/67/22/1121136722.db2.gz SSMBTJBBHFWYQX-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)c([O-])c1 ZINC000021504976 1121170687 /nfs/dbraw/zinc/17/06/87/1121170687.db2.gz MDWSVJOXQZGRML-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000085069771 1121175247 /nfs/dbraw/zinc/17/52/47/1121175247.db2.gz KLMFORLDALDDEU-ZYHUDNBSSA-N -1 1 281.783 3.744 20 0 CHADMM CC(C)[C@@H](C)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630819188 1128971132 /nfs/dbraw/zinc/97/11/32/1128971132.db2.gz CUVCKZJHIMOPAG-LLVKDONJSA-N -1 1 295.810 3.624 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000436526406 1121229075 /nfs/dbraw/zinc/22/90/75/1121229075.db2.gz ISFUPJIZSSZCPK-MRXNPFEDSA-N -1 1 299.345 3.899 20 0 CHADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000436701869 1121238952 /nfs/dbraw/zinc/23/89/52/1121238952.db2.gz BZIHCXYQAKVLNJ-SJCJKPOMSA-N -1 1 299.345 3.755 20 0 CHADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436704099 1121239215 /nfs/dbraw/zinc/23/92/15/1121239215.db2.gz KWNHCMVFJOJRTR-LRDDRELGSA-N -1 1 299.345 3.755 20 0 CHADMM CCOc1c(F)cccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001212533600 1121245245 /nfs/dbraw/zinc/24/52/45/1121245245.db2.gz RMEOPZJYUUFGOT-UHFFFAOYSA-N -1 1 279.315 3.649 20 0 CHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1 ZINC001175249247 1121245798 /nfs/dbraw/zinc/24/57/98/1121245798.db2.gz IUJBYGDQEKTRCQ-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F ZINC001175255669 1121263206 /nfs/dbraw/zinc/26/32/06/1121263206.db2.gz DVDSMFXSSJFHQQ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM CC(=O)c1ccnc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175263249 1121266010 /nfs/dbraw/zinc/26/60/10/1121266010.db2.gz QRNMCGJQNAGPTB-UHFFFAOYSA-N -1 1 298.676 3.665 20 0 CHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(Cl)cc1F ZINC000675414143 1121285524 /nfs/dbraw/zinc/28/55/24/1121285524.db2.gz FSJQLTMVXXYZJQ-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM Cc1c2c[nH]nc2ccc1Nc1c([O-])cc(F)cc1F ZINC001175468827 1121332542 /nfs/dbraw/zinc/33/25/42/1121332542.db2.gz KDAHPNVVEUNMCD-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1nc(S[C@@H]2C=CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023656 1128979263 /nfs/dbraw/zinc/97/92/63/1128979263.db2.gz CQLZSVPDLIFCRN-LLVKDONJSA-N -1 1 262.378 3.569 20 0 CHADMM COc1cc(C)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001211731882 1121422476 /nfs/dbraw/zinc/42/24/76/1121422476.db2.gz QKPLMYOFRFENNM-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])cc2F)cc(C)c1N ZINC001175938610 1121490313 /nfs/dbraw/zinc/49/03/13/1121490313.db2.gz OLTXYNFUCQHBGF-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM c1coc(-c2nnc([N-]c3ccc4scnc4c3)o2)c1 ZINC001175911621 1121496657 /nfs/dbraw/zinc/49/66/57/1121496657.db2.gz SFTPZOKIBNUKPO-UHFFFAOYSA-N -1 1 284.300 3.683 20 0 CHADMM O=c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c[nH]1 ZINC001176130292 1121562219 /nfs/dbraw/zinc/56/22/19/1121562219.db2.gz AKOMHNXXNJMGQQ-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM [O-]c1cc(Nc2cncc(C3CC3)c2)cc(F)c1F ZINC001176287641 1121589257 /nfs/dbraw/zinc/58/92/57/1121589257.db2.gz FZQFVATVGIMTQO-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1cc(F)ccc1F ZINC000773563469 1121593925 /nfs/dbraw/zinc/59/39/25/1121593925.db2.gz BTQCDQSPRXFNLR-MRVPVSSYSA-N -1 1 296.244 3.728 20 0 CHADMM Cc1nc2ccc(Nc3c([O-])cc(F)cc3F)cc2o1 ZINC001213066713 1121595337 /nfs/dbraw/zinc/59/53/37/1121595337.db2.gz KERGPUIKDQAAEY-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM CCOc1cc(F)c(F)cc1[N-]c1nnc(C(C)C)o1 ZINC001211797299 1121598208 /nfs/dbraw/zinc/59/82/08/1121598208.db2.gz ZSGZJUFKHFNOKF-UHFFFAOYSA-N -1 1 283.278 3.614 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1cccc(F)c1 ZINC000773567778 1121600114 /nfs/dbraw/zinc/60/01/14/1121600114.db2.gz XUNLFBPATFUPRO-VIFPVBQESA-N -1 1 278.254 3.588 20 0 CHADMM Cc1ccc(/C=C/Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001176423457 1121631704 /nfs/dbraw/zinc/63/17/04/1121631704.db2.gz CVWJIUSHJBQUKQ-CMDGGOBGSA-N -1 1 293.322 3.890 20 0 CHADMM Cc1cnc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664582 1121671654 /nfs/dbraw/zinc/67/16/54/1121671654.db2.gz QVJBQCAPUPSVIU-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)c(F)c2)c1F ZINC001176669837 1121672245 /nfs/dbraw/zinc/67/22/45/1121672245.db2.gz LVGLICOUWCFDLM-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Nc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)c1 ZINC001176672927 1121673053 /nfs/dbraw/zinc/67/30/53/1121673053.db2.gz OCRUVULJSHLVOY-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM Cc1cn2c(cccc2Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176662180 1121677128 /nfs/dbraw/zinc/67/71/28/1121677128.db2.gz ITHAFPFYFAJDKZ-UHFFFAOYSA-N -1 1 293.248 3.509 20 0 CHADMM COCOc1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001176722745 1121678562 /nfs/dbraw/zinc/67/85/62/1121678562.db2.gz ITSIJKGSCJXGQH-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CC(C)Sc1ccc([C@@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000728975377 1121734106 /nfs/dbraw/zinc/73/41/06/1121734106.db2.gz BXTVHVMARRRZTM-SECBINFHSA-N -1 1 291.338 3.927 20 0 CHADMM CCCC(CCC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784688 1121815322 /nfs/dbraw/zinc/81/53/22/1121815322.db2.gz BPDPBGMTQXKAHZ-UHFFFAOYSA-N -1 1 299.361 3.546 20 0 CHADMM CC(C)(C)CCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC001178785218 1121816169 /nfs/dbraw/zinc/81/61/69/1121816169.db2.gz QCVIPQQUMNRYJX-UHFFFAOYSA-N -1 1 299.361 3.546 20 0 CHADMM CC(C)CC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000069234783 1121878397 /nfs/dbraw/zinc/87/83/97/1121878397.db2.gz DXTSNPBFXRGDCH-JTQLQIEISA-N -1 1 269.772 3.600 20 0 CHADMM CC[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822720095 1121970357 /nfs/dbraw/zinc/97/03/57/1121970357.db2.gz LSPGTNZQJUYFGO-LBPRGKRZSA-N -1 1 299.370 3.513 20 0 CHADMM CC[C@H](CC(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420491517 1122013189 /nfs/dbraw/zinc/01/31/89/1122013189.db2.gz GMKXQGOBGLQYEK-SSDOTTSWSA-N -1 1 286.253 3.730 20 0 CHADMM [O-]c1cc(Cc2ccccc2F)c(F)c(F)c1F ZINC001249988032 1122017116 /nfs/dbraw/zinc/01/71/16/1122017116.db2.gz XXCTUYVGBFWLKO-UHFFFAOYSA-N -1 1 256.198 3.539 20 0 CHADMM CC(C)(C)c1nnc(Nc2cc(Cl)c([O-])cc2F)o1 ZINC001250020846 1122079673 /nfs/dbraw/zinc/07/96/73/1122079673.db2.gz TULGLPLRXOXRAM-UHFFFAOYSA-N -1 1 285.706 3.609 20 0 CHADMM CC(C)(C)c1nnc([N-]c2cc(Cl)c(O)cc2F)o1 ZINC001250020846 1122079678 /nfs/dbraw/zinc/07/96/78/1122079678.db2.gz TULGLPLRXOXRAM-UHFFFAOYSA-N -1 1 285.706 3.609 20 0 CHADMM CO[C@H](C)c1nc(=N[C@H](C)CCC2CCCCC2)s[n-]1 ZINC000509541433 1122118662 /nfs/dbraw/zinc/11/86/62/1122118662.db2.gz KAOXGJYTWYQRBY-VXGBXAGGSA-N -1 1 297.468 3.828 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)c(F)c1 ZINC000345973533 1122266925 /nfs/dbraw/zinc/26/69/25/1122266925.db2.gz OKNGHVKHJHDNRY-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM O=C(Nc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC001185090069 1122314770 /nfs/dbraw/zinc/31/47/70/1122314770.db2.gz RMEUEPBZGZDJBK-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Nc1ccnc(Cl)c1Nc1c(F)ccc([O-])c1Cl ZINC001250228608 1122375585 /nfs/dbraw/zinc/37/55/85/1122375585.db2.gz GJCWZMPEIXCINN-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)cc1C ZINC001186226043 1122380636 /nfs/dbraw/zinc/38/06/36/1122380636.db2.gz LJNCFAHAUNAXIH-UHFFFAOYSA-N -1 1 273.307 3.709 20 0 CHADMM Cc1[nH]c2c(cccc2NC(=O)c2ccc([O-])c(F)c2)c1C ZINC001186237152 1122380752 /nfs/dbraw/zinc/38/07/52/1122380752.db2.gz QMMZGJHRLWHLAZ-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM CC[C@@H](C)C1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001186233159 1122380846 /nfs/dbraw/zinc/38/08/46/1122380846.db2.gz DOUFEACLCRQJAD-LKSINWNRSA-N -1 1 293.382 3.866 20 0 CHADMM [O-]C(=Cc1c(F)cc(F)cc1F)c1ccc(F)cc1F ZINC001250249031 1122401099 /nfs/dbraw/zinc/40/10/99/1122401099.db2.gz KQEGIEKLEMPWHI-UHFFFAOYSA-N -1 1 286.199 3.808 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cccc(F)c1[O-] ZINC001187636370 1122435791 /nfs/dbraw/zinc/43/57/91/1122435791.db2.gz NHOMZDOJUJIIAA-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM [O-]c1c(F)cc(CCc2ccc(F)cc2)cc1F ZINC001250326120 1122496875 /nfs/dbraw/zinc/49/68/75/1122496875.db2.gz QOXRRZWFRRGYBR-UHFFFAOYSA-N -1 1 252.235 3.595 20 0 CHADMM Cc1cnc(SC[C@@H]2CCCCC2(C)C)[n-]c1=O ZINC001189399375 1122499982 /nfs/dbraw/zinc/49/99/82/1122499982.db2.gz MVZYBSABJCRDFT-NSHDSACASA-N -1 1 266.410 3.799 20 0 CHADMM Cc1cccc([C@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151771347 1122505909 /nfs/dbraw/zinc/50/59/09/1122505909.db2.gz HJOPMAPERCUKDH-NSHDSACASA-N -1 1 273.307 3.582 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(C)c(C)c2)n1 ZINC000436210872 1122522692 /nfs/dbraw/zinc/52/26/92/1122522692.db2.gz OTCBSPOEBFJANI-UHFFFAOYSA-N -1 1 274.389 3.654 20 0 CHADMM CC(C)(C)C(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436520861 1122557474 /nfs/dbraw/zinc/55/74/74/1122557474.db2.gz JPPJMENEEIAOSD-UHFFFAOYSA-N -1 1 278.327 3.905 20 0 CHADMM C[C@H](c1ccccc1)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436533664 1122558062 /nfs/dbraw/zinc/55/80/62/1122558062.db2.gz MYCWYDKOSPDHKN-GFCCVEGCSA-N -1 1 299.345 3.897 20 0 CHADMM CC(C)c1ccc(C(=O)N(C)c2ccc(F)cc2)c([O-])c1 ZINC000436567176 1122561830 /nfs/dbraw/zinc/56/18/30/1122561830.db2.gz ZEHBGJLGZODUSY-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436571287 1122563316 /nfs/dbraw/zinc/56/33/16/1122563316.db2.gz VBZFWFUAMOFLKU-CYBMUJFWSA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436583619 1122564065 /nfs/dbraw/zinc/56/40/65/1122564065.db2.gz DWNVXDYCFJCSPK-GFCCVEGCSA-N -1 1 295.810 3.944 20 0 CHADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1(C)CCCC1 ZINC000436740482 1122575722 /nfs/dbraw/zinc/57/57/22/1122575722.db2.gz QYBOAUWYNPHZMT-UHFFFAOYSA-N -1 1 283.371 3.950 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC(C2CCCCC2)C1 ZINC000436727682 1122577356 /nfs/dbraw/zinc/57/73/56/1122577356.db2.gz BNKAFSYBUVGVJV-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CC[C@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763948 1122578306 /nfs/dbraw/zinc/57/83/06/1122578306.db2.gz NUOMATOILZRDKE-VIFPVBQESA-N -1 1 289.297 3.529 20 0 CHADMM CC1(C)CCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876505 1122589876 /nfs/dbraw/zinc/58/98/76/1122589876.db2.gz ZTQMZWZZUKHFAT-JTQLQIEISA-N -1 1 276.311 3.875 20 0 CHADMM CCN(C(=O)c1ccccc1[O-])c1ccc2[nH]ccc2c1 ZINC000436879593 1122590729 /nfs/dbraw/zinc/59/07/29/1122590729.db2.gz XSBJDJVQPCHHCP-UHFFFAOYSA-N -1 1 280.327 3.540 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000436924972 1122595459 /nfs/dbraw/zinc/59/54/59/1122595459.db2.gz YKVFCVCYPDOSNS-MRXNPFEDSA-N -1 1 295.382 3.808 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000436924233 1122595544 /nfs/dbraw/zinc/59/55/44/1122595544.db2.gz WFPSSCWVSCBTFH-OAHLLOKOSA-N -1 1 295.382 3.808 20 0 CHADMM C[C@@H](Cc1noc(-c2cc(F)ccc2[O-])n1)c1ccccc1 ZINC000436949937 1122596813 /nfs/dbraw/zinc/59/68/13/1122596813.db2.gz XNFOSGQDYKURGM-NSHDSACASA-N -1 1 298.317 3.928 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001191410428 1122598003 /nfs/dbraw/zinc/59/80/03/1122598003.db2.gz FUVWZSPDLNYIOP-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000436954415 1122598682 /nfs/dbraw/zinc/59/86/82/1122598682.db2.gz GOHKBKAHZXRQJU-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM CSc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC000436984350 1122599757 /nfs/dbraw/zinc/59/97/57/1122599757.db2.gz ZFRLKPVGQUJBAV-UHFFFAOYSA-N -1 1 292.310 3.936 20 0 CHADMM CCNc1cc(C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436996371 1122601129 /nfs/dbraw/zinc/60/11/29/1122601129.db2.gz GQUOFYLULGEWAP-UHFFFAOYSA-N -1 1 288.322 3.524 20 0 CHADMM Cc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001250457374 1122634310 /nfs/dbraw/zinc/63/43/10/1122634310.db2.gz PASXYWUCDZQRCV-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM Cc1cnc(C(C)(C)NCc2cccc([O-])c2Cl)s1 ZINC000293630167 1122716107 /nfs/dbraw/zinc/71/61/07/1122716107.db2.gz QZGGJYPOJGBMLI-UHFFFAOYSA-N -1 1 296.823 3.835 20 0 CHADMM CCCCCOC(=O)Nc1ccc(Cl)cc1[O-] ZINC001193768981 1122719375 /nfs/dbraw/zinc/71/93/75/1122719375.db2.gz DMJZGWNDOZTUCH-UHFFFAOYSA-N -1 1 257.717 3.784 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C ZINC000153763652 1129076674 /nfs/dbraw/zinc/07/66/74/1129076674.db2.gz HSWBGNCYCUKVSM-OLZOCXBDSA-N -1 1 283.371 3.664 20 0 CHADMM O=c1cc(C(F)F)nc(SCCC2CCCC2)[n-]1 ZINC000519481359 1122841974 /nfs/dbraw/zinc/84/19/74/1122841974.db2.gz JIGVOFVBPUEMLC-UHFFFAOYSA-N -1 1 274.336 3.792 20 0 CHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048653005 1122860957 /nfs/dbraw/zinc/86/09/57/1122860957.db2.gz BTHOYHVCECDJGI-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1cc([O-])cnc1Cl ZINC001195297898 1122861560 /nfs/dbraw/zinc/86/15/60/1122861560.db2.gz QWDJLCQLNQPXHK-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1cc(C(C)C)ccc1C ZINC001195491186 1122872899 /nfs/dbraw/zinc/87/28/99/1122872899.db2.gz USRYHJXHWNXYKZ-UHFFFAOYSA-N -1 1 280.393 3.561 20 0 CHADMM Cc1cccc(NC(=S)Nc2ccc(F)cc2[O-])c1C ZINC001196414453 1122922290 /nfs/dbraw/zinc/92/22/90/1122922290.db2.gz MBSXAWWGLSEVDQ-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM C[C@H]1CCC[C@H](N(C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190040 1122937871 /nfs/dbraw/zinc/93/78/71/1122937871.db2.gz YAQOQORWWBOOGH-QWRGUYRKSA-N -1 1 269.335 3.681 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2cccc(F)c2)cc1F ZINC001197645168 1122962844 /nfs/dbraw/zinc/96/28/44/1122962844.db2.gz MUZCPHXQINVQJP-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(C2CC2)c1 ZINC000334216694 1122971776 /nfs/dbraw/zinc/97/17/76/1122971776.db2.gz GGYBEOLTMMSRFE-UHFFFAOYSA-N -1 1 288.734 3.570 20 0 CHADMM Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1C ZINC000334394389 1123005156 /nfs/dbraw/zinc/00/51/56/1123005156.db2.gz BOLNIBWHLXZTPQ-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM CC(C)(C)NC(=S)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001200908279 1123062494 /nfs/dbraw/zinc/06/24/94/1123062494.db2.gz OZZQHQLLNONFGT-UHFFFAOYSA-N -1 1 293.219 3.784 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(C2CC2)nc1 ZINC001201713444 1123139287 /nfs/dbraw/zinc/13/92/87/1123139287.db2.gz UKOSVWMLMQITSH-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM COc1cccc(NC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001202276804 1123194798 /nfs/dbraw/zinc/19/47/98/1123194798.db2.gz FEVMHXRMVVFOMJ-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM CCCC1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000232921041 1123286535 /nfs/dbraw/zinc/28/65/35/1123286535.db2.gz WBPDAJHWEVXQKQ-UHFFFAOYSA-N -1 1 279.355 3.620 20 0 CHADMM CCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)C ZINC000634585960 1129119457 /nfs/dbraw/zinc/11/94/57/1129119457.db2.gz XKFGQAUMAPCUFF-CYBMUJFWSA-N -1 1 287.388 3.681 20 0 CHADMM C[C@@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCCC2 ZINC000634601235 1129120777 /nfs/dbraw/zinc/12/07/77/1129120777.db2.gz GKXWINAOZWUHKJ-GXFFZTMASA-N -1 1 276.767 3.789 20 0 CHADMM CCc1[n-]n(-c2ccnc3ccccc32)c(=O)c1C(C)C ZINC000634603020 1129121116 /nfs/dbraw/zinc/12/11/16/1129121116.db2.gz MFPNXOIKXDERAV-INIZCTEOSA-N -1 1 281.359 3.620 20 0 CHADMM CCCc1[n-]n(-c2cccc3cnccc32)c(=O)c1CC ZINC000634622418 1129121506 /nfs/dbraw/zinc/12/15/06/1129121506.db2.gz DREFPVKNOOQAMK-CYBMUJFWSA-N -1 1 281.359 3.764 20 0 CHADMM CC[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678775 1123484449 /nfs/dbraw/zinc/48/44/49/1123484449.db2.gz VTBAMPDOKTUHET-ZETCQYMHSA-N -1 1 259.708 3.559 20 0 CHADMM CCCN(CC1CC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895519489 1123487722 /nfs/dbraw/zinc/48/77/22/1123487722.db2.gz MJNSWSFHXFSLJC-UHFFFAOYSA-N -1 1 299.370 3.513 20 0 CHADMM CCCC[C@H](CCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172695 1123603709 /nfs/dbraw/zinc/60/37/09/1123603709.db2.gz QYTGUQSXDMPNFH-AWEZNQCLSA-N -1 1 294.391 3.959 20 0 CHADMM [O-]c1cc(F)c(Cl)cc1-c1cnn([C@H]2CCCCO2)c1 ZINC000857752365 1123618206 /nfs/dbraw/zinc/61/82/06/1123618206.db2.gz IVYJKHPRIYCEJU-CQSZACIVSA-N -1 1 296.729 3.747 20 0 CHADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896780384 1123623688 /nfs/dbraw/zinc/62/36/88/1123623688.db2.gz CRHZWALXJBCYFO-DGCLKSJQSA-N -1 1 299.370 3.512 20 0 CHADMM CCCC1CCC(Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858361136 1123648126 /nfs/dbraw/zinc/64/81/26/1123648126.db2.gz IRODDLHTBIHFAN-UHFFFAOYSA-N -1 1 269.776 3.606 20 0 CHADMM C[C@H](CCC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858411387 1123651824 /nfs/dbraw/zinc/65/18/24/1123651824.db2.gz IWSXAXQJSUZJOV-SNVBAGLBSA-N -1 1 283.803 3.997 20 0 CHADMM Cc1ccccc1[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858528001 1123660022 /nfs/dbraw/zinc/66/00/22/1123660022.db2.gz NUBIHOBLVNFUGB-XYPYZODXSA-N -1 1 289.766 3.502 20 0 CHADMM CSc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281545033 1123723362 /nfs/dbraw/zinc/72/33/62/1123723362.db2.gz XXBVLAGHLDAKAP-UHFFFAOYSA-N -1 1 274.345 3.526 20 0 CHADMM CCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000082192637 1129141594 /nfs/dbraw/zinc/14/15/94/1129141594.db2.gz TUVWWVJDFWFMPD-UHFFFAOYSA-N -1 1 275.735 3.860 20 0 CHADMM O=C(/C=C/C1CCCCC1)Nc1cccc(F)c1[O-] ZINC000863010010 1123839890 /nfs/dbraw/zinc/83/98/90/1123839890.db2.gz MJCNHXOXTAMRPS-MDZDMXLPSA-N -1 1 263.312 3.606 20 0 CHADMM CCCc1cc(=O)[n-]c(SCCC(F)=C(F)F)n1 ZINC000863226761 1123853785 /nfs/dbraw/zinc/85/37/85/1123853785.db2.gz QYGHJAGQDXVEKX-UHFFFAOYSA-N -1 1 278.299 3.695 20 0 CHADMM O=c1cc(C2CC2)nc(SCCC(F)=C(F)F)[n-]1 ZINC000863323757 1123861225 /nfs/dbraw/zinc/86/12/25/1123861225.db2.gz JNEFNLUHSKQCNK-UHFFFAOYSA-N -1 1 276.283 3.619 20 0 CHADMM COc1c(Nc2cc([O-])c(F)c(F)c2)ccc(F)c1F ZINC001211897896 1123919861 /nfs/dbraw/zinc/91/98/61/1123919861.db2.gz STBZKMLTFRCPIN-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1nc(SCCc2cccs2)[n-]c(=O)c1C1CC1 ZINC000865373370 1123975625 /nfs/dbraw/zinc/97/56/25/1123975625.db2.gz QZNSAORUOOZYSW-UHFFFAOYSA-N -1 1 292.429 3.764 20 0 CHADMM [O-]c1ccc(-c2noc(C3(c4ccccc4)CC3)n2)c(F)c1 ZINC000445459759 1124085376 /nfs/dbraw/zinc/08/53/76/1124085376.db2.gz GYUPZUBLOLHECY-UHFFFAOYSA-N -1 1 296.301 3.661 20 0 CHADMM Cc1cc(=O)n(-c2cccc(-c3ccccc3)c2)[n-]1 ZINC001245928069 1131249682 /nfs/dbraw/zinc/24/96/82/1131249682.db2.gz LEUBBQMOJVASNZ-UHFFFAOYSA-N -1 1 250.301 3.553 20 0 CHADMM Cc1ccc(-c2cccc(C=C3SC(=O)[N-]C3=O)c2)cc1 ZINC000874929296 1124870055 /nfs/dbraw/zinc/87/00/55/1124870055.db2.gz YKFLSEIWAGHXRK-XNTDXEJSSA-N -1 1 295.363 3.986 20 0 CHADMM Cc1cc2[nH]cnc2cc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239346420 1131320628 /nfs/dbraw/zinc/32/06/28/1131320628.db2.gz PKDCHDDGVBOZRI-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(F)c1[O-] ZINC000530007445 1125109648 /nfs/dbraw/zinc/10/96/48/1125109648.db2.gz VCAPVVHDPLYEOD-UHFFFAOYSA-N -1 1 294.351 3.672 20 0 CHADMM CC[C@H](CC(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000530006139 1125109893 /nfs/dbraw/zinc/10/98/93/1125109893.db2.gz PUHLPZFUERBKJK-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM CC(C)(C)c1nc(C(=O)Nc2cccc(F)c2[O-])cs1 ZINC000530005999 1125113264 /nfs/dbraw/zinc/11/32/64/1125113264.db2.gz LNEAKGSHRGUWAH-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531485896 1125224634 /nfs/dbraw/zinc/22/46/34/1125224634.db2.gz BYKREGKHJWJGPA-GFCCVEGCSA-N -1 1 295.404 3.536 20 0 CHADMM CCSc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000427457798 1125293972 /nfs/dbraw/zinc/29/39/72/1125293972.db2.gz FSJRKXPXZNIJGU-UHFFFAOYSA-N -1 1 283.356 3.509 20 0 CHADMM CCc1cc(=O)[n-]c(SCC[C@@H]2CCCC2(F)F)n1 ZINC000882158210 1125338322 /nfs/dbraw/zinc/33/83/22/1125338322.db2.gz JVICPEXZSTTZFJ-VIFPVBQESA-N -1 1 288.363 3.662 20 0 CHADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)cc(C)c1O ZINC001211913554 1125349231 /nfs/dbraw/zinc/34/92/31/1125349231.db2.gz DKDRYQIAXXPVKY-UHFFFAOYSA-N -1 1 265.259 3.736 20 0 CHADMM CCCN(Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000385855248 1129180308 /nfs/dbraw/zinc/18/03/08/1129180308.db2.gz VXVANCRGWGVRDF-UHFFFAOYSA-N -1 1 281.705 3.820 20 0 CHADMM CC(C)(C)Cc1csc(NC(=O)c2ccccc2[O-])n1 ZINC000622487067 1129262247 /nfs/dbraw/zinc/26/22/47/1129262247.db2.gz OKGFMDGOEGSFNV-UHFFFAOYSA-N -1 1 290.388 3.690 20 0 CHADMM C[C@@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1Cl ZINC000736710917 1129378218 /nfs/dbraw/zinc/37/82/18/1129378218.db2.gz ONXKZCLZJWJBKZ-JTQLQIEISA-N -1 1 283.799 3.990 20 0 CHADMM Cc1ccc(SCC(=O)c2ccc([O-])cc2)cc1 ZINC000035044939 1129426916 /nfs/dbraw/zinc/42/69/16/1129426916.db2.gz HGDTYCPPVGPXCS-UHFFFAOYSA-N -1 1 258.342 3.676 20 0 CHADMM CC(C)[C@@H](C)SCc1cc(=O)oc2cc([O-])ccc12 ZINC000742460750 1129480746 /nfs/dbraw/zinc/48/07/46/1129480746.db2.gz ZRSXGZMMJGTPNE-SNVBAGLBSA-N -1 1 278.373 3.776 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c([O-])cccc1Cl ZINC000743712155 1129534723 /nfs/dbraw/zinc/53/47/23/1129534723.db2.gz LKJCEGJKEMZHBH-SDDRHHMPSA-N -1 1 293.794 3.744 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3C3CCCC3)n2)cc1F ZINC000650590676 1129715578 /nfs/dbraw/zinc/71/55/78/1129715578.db2.gz FGLZGLDWNXUABV-VXGBXAGGSA-N -1 1 288.322 3.875 20 0 CHADMM C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652389342 1129764318 /nfs/dbraw/zinc/76/43/18/1129764318.db2.gz PPVNXIVIMFXWQI-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(CF)cc2)n1 ZINC000767063106 1129774952 /nfs/dbraw/zinc/77/49/52/1129774952.db2.gz NPWSGKBBPINKAI-UHFFFAOYSA-N -1 1 278.352 3.506 20 0 CHADMM [O-]c1c(F)cccc1-c1c(F)ccc2cccnc21 ZINC001242351220 1129792057 /nfs/dbraw/zinc/79/20/57/1129792057.db2.gz SDEOGVDAWOXPNO-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM COC(=O)c1c(C)cccc1-c1cccc(Cl)c1[O-] ZINC001242365029 1129796295 /nfs/dbraw/zinc/79/62/95/1129796295.db2.gz HSUOGZKDBGLZGW-UHFFFAOYSA-N -1 1 276.719 3.808 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)c(C)c1 ZINC000380847754 1129833056 /nfs/dbraw/zinc/83/30/56/1129833056.db2.gz RQVSJHOLZQSGMI-UHFFFAOYSA-N -1 1 277.751 3.975 20 0 CHADMM C/C(=C(/F)C(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000901163736 1129910429 /nfs/dbraw/zinc/91/04/29/1129910429.db2.gz YSTDROPNKNJWHD-GHXNOFRVSA-N -1 1 269.703 3.638 20 0 CHADMM C/C(=C(\F)C(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000901163737 1129910591 /nfs/dbraw/zinc/91/05/91/1129910591.db2.gz YSTDROPNKNJWHD-KPKJPENVSA-N -1 1 269.703 3.638 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000769681183 1129920906 /nfs/dbraw/zinc/92/09/06/1129920906.db2.gz NBHCAEIBMVLQNO-UHFFFAOYSA-N -1 1 293.725 3.851 20 0 CHADMM CCCCC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901724127 1129946028 /nfs/dbraw/zinc/94/60/28/1129946028.db2.gz OJIVMHQVJUQZQZ-CQSZACIVSA-N -1 1 275.348 3.556 20 0 CHADMM Cc1cc(CNCc2cc(C)c(C)cc2C)oc1C(=O)[O-] ZINC000901942211 1129967540 /nfs/dbraw/zinc/96/75/40/1129967540.db2.gz GRSJBFZVBNUBOO-UHFFFAOYSA-N -1 1 287.359 3.501 20 0 CHADMM CCc1oc(CN(C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902508794 1130018250 /nfs/dbraw/zinc/01/82/50/1130018250.db2.gz UJBDDUULWIPRAO-GFCCVEGCSA-N -1 1 287.359 3.733 20 0 CHADMM [O-]c1cccc(-c2nccc3cccnc32)c1Cl ZINC001242798728 1130052947 /nfs/dbraw/zinc/05/29/47/1130052947.db2.gz XBFJZFZVDKEQHL-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM Cc1nc2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)cc2[nH]1 ZINC001206031990 1130024508 /nfs/dbraw/zinc/02/45/08/1130024508.db2.gz VWDUTQAUWKSDGF-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM [O-]c1cccc(-c2cncc3cccnc32)c1Cl ZINC001242799773 1130051023 /nfs/dbraw/zinc/05/10/23/1130051023.db2.gz BVEGDRXPYCJGNG-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM [O-]c1cccc(-c2ncc3ccccc3n2)c1Cl ZINC001242799185 1130051985 /nfs/dbraw/zinc/05/19/85/1130051985.db2.gz YCLIKSQTNVUWAJ-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM CCc1ccc(C(=O)N(CC)c2ccc(C)cc2)c([O-])c1 ZINC000786753957 1130115773 /nfs/dbraw/zinc/11/57/73/1130115773.db2.gz QNCUMNPIJZMVPM-UHFFFAOYSA-N -1 1 283.371 3.930 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccc(C)c(F)c3)ccc2[n-]1 ZINC001239824753 1130125969 /nfs/dbraw/zinc/12/59/69/1130125969.db2.gz INIZJRIBNSAROP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccc(C)c(F)c3)cc2[n-]1 ZINC001239824753 1130125973 /nfs/dbraw/zinc/12/59/73/1130125973.db2.gz INIZJRIBNSAROP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CC[C@H](C)CCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000803877710 1130205239 /nfs/dbraw/zinc/20/52/39/1130205239.db2.gz NTMOKUAUDAQQCL-LBPRGKRZSA-N -1 1 292.375 3.507 20 0 CHADMM O=C(Nc1nc(Cl)ccc1[O-])c1sccc1C1CC1 ZINC000790048057 1130288241 /nfs/dbraw/zinc/28/82/41/1130288241.db2.gz PTGXKYBOSSIQLU-UHFFFAOYSA-N -1 1 294.763 3.632 20 0 CHADMM C[C@@H]1CSc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000677189634 1130296808 /nfs/dbraw/zinc/29/68/08/1130296808.db2.gz SAIBWDFUXJGECF-LBPRGKRZSA-N -1 1 299.395 3.781 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(C(F)(F)F)c(F)cn1 ZINC001240693754 1130421470 /nfs/dbraw/zinc/42/14/70/1130421470.db2.gz YHGMJDHYORHBHB-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncc(F)c2ccccc21 ZINC001240693491 1130421246 /nfs/dbraw/zinc/42/12/46/1130421246.db2.gz DKUYIQMMCKIDOP-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM CC(C)(C)Oc1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240694262 1130421498 /nfs/dbraw/zinc/42/14/98/1130421498.db2.gz TZNHZOPHAPWTSD-UHFFFAOYSA-N -1 1 261.296 3.771 20 0 CHADMM CCCN(CCC)c1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240694187 1130421609 /nfs/dbraw/zinc/42/16/09/1130421609.db2.gz PRRKQFCHAIYOMO-UHFFFAOYSA-N -1 1 289.354 3.615 20 0 CHADMM CC(C)c1noc(-c2ccnc(-c3cc(F)ccc3[O-])c2)n1 ZINC001240695577 1130422037 /nfs/dbraw/zinc/42/20/37/1130422037.db2.gz MWOJMELFOFIVIU-UHFFFAOYSA-N -1 1 299.305 3.767 20 0 CHADMM COc1cc(-c2cc(F)ccc2[O-])nc2ccccc21 ZINC001240694565 1130422192 /nfs/dbraw/zinc/42/21/92/1130422192.db2.gz YJLSNGPFAPODCG-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(-c2cccc(F)c2)nn1 ZINC001240695561 1130422696 /nfs/dbraw/zinc/42/26/96/1130422696.db2.gz MJUSHPQCSNSXFN-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM [O-]c1ccc(-c2nccc(OCc3ccccc3)n2)cc1F ZINC001240781663 1130467189 /nfs/dbraw/zinc/46/71/89/1130467189.db2.gz FJZMXGJEFDVMJD-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM CC(C)(C)OC(=O)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240781653 1130467588 /nfs/dbraw/zinc/46/75/88/1130467588.db2.gz DUJDMYISVAWSMX-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM COc1ccccc1-c1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240782810 1130468002 /nfs/dbraw/zinc/46/80/02/1130468002.db2.gz KIRWLLOXXDLTFK-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM Cc1cc2ncnc(-c3ccc([O-])c(F)c3)c2s1 ZINC001240782727 1130468368 /nfs/dbraw/zinc/46/83/68/1130468368.db2.gz GVDZKTBQZKJVKX-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1nc2cc(F)ccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783436 1130468718 /nfs/dbraw/zinc/46/87/18/1130468718.db2.gz QOELLIZMOPHGTA-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CCc1cc2ncnc(-c3ccc([O-])c(F)c3)c2s1 ZINC001240782430 1130468786 /nfs/dbraw/zinc/46/87/86/1130468786.db2.gz AWOQFUCRVUEAAI-UHFFFAOYSA-N -1 1 274.320 3.765 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccnc(OCC2CC2)c1 ZINC001243505660 1130516843 /nfs/dbraw/zinc/51/68/43/1130516843.db2.gz ULKIWNBYDGKRNT-UHFFFAOYSA-N -1 1 277.270 3.521 20 0 CHADMM CC(C)Cc1nnc(-c2ccc(C(F)(F)F)cc2[O-])o1 ZINC001256413303 1130676004 /nfs/dbraw/zinc/67/60/04/1130676004.db2.gz XXPQTYOTNFMCAQ-UHFFFAOYSA-N -1 1 286.253 3.660 20 0 CHADMM Clc1ccnc2c1CC[C@H]2Oc1nc2sccc2[n-]1 ZINC001234851804 1130682509 /nfs/dbraw/zinc/68/25/09/1130682509.db2.gz ONYINOCOEOQEEM-SNVBAGLBSA-N -1 1 291.763 3.739 20 0 CHADMM CC(C)[C@H](Oc1nc2sccc2[n-]1)C(F)(F)F ZINC001234851827 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Cc1cc(-c2c(F)ccc(C)c2[O-])nc(C(C)C)n1 ZINC001236390190 1130925411 /nfs/dbraw/zinc/92/54/11/1130925411.db2.gz IDSNOTICSFATRG-UHFFFAOYSA-N -1 1 260.312 3.729 20 0 CHADMM CCCSc1cncc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236394247 1130926275 /nfs/dbraw/zinc/92/62/75/1130926275.db2.gz YOWVZNOYYXTODQ-UHFFFAOYSA-N -1 1 278.352 3.799 20 0 CHADMM Cc1cnc(-c2c(F)ccc(C)c2[O-])c2[nH]ccc21 ZINC001236392563 1130926283 /nfs/dbraw/zinc/92/62/83/1130926283.db2.gz SUCYXDVCEMHCPX-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1cc2nc(-c3c(F)ccc(C)c3[O-])ccc2[nH]1 ZINC001236392402 1130926555 /nfs/dbraw/zinc/92/65/55/1130926555.db2.gz OTVZTWYTTKLWMB-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1nc(-c2c(F)ccc(C)c2[O-])cc2[nH]ccc21 ZINC001236391553 1130927023 /nfs/dbraw/zinc/92/70/23/1130927023.db2.gz OSBQPSFLFXMKQN-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2nc(C3CCC3)nc3[nH]ccc32)c1[O-] ZINC001236401671 1130928448 /nfs/dbraw/zinc/92/84/48/1130928448.db2.gz APQQBHVHISJQRA-UHFFFAOYSA-N -1 1 297.333 3.997 20 0 CHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(Cl)c1 ZINC001135507584 1131075145 /nfs/dbraw/zinc/07/51/45/1131075145.db2.gz BLAOCNNETAELQM-UHFFFAOYSA-N -1 1 296.153 3.880 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N1Cc1cc(Cl)c([O-])cc1F ZINC001238144586 1131173941 /nfs/dbraw/zinc/17/39/41/1131173941.db2.gz WBXDGWTYMQZXCJ-NXEZZACHSA-N -1 1 271.763 3.948 20 0 CHADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC001136810711 1131450903 /nfs/dbraw/zinc/45/09/03/1131450903.db2.gz KOROUIUHTBTUHE-QGZVFWFLSA-N -1 1 287.334 3.587 20 0 CHADMM CCC[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC001143916353 1131553390 /nfs/dbraw/zinc/55/33/90/1131553390.db2.gz CGLUTYWBQWGLLW-DGCLKSJQSA-N -1 1 279.355 3.620 20 0 CHADMM CCc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001202942970 1131614566 /nfs/dbraw/zinc/61/45/66/1131614566.db2.gz JGEJUMLKKGNLJL-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM [O-]c1cc(F)c(CN2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC001144554605 1131656296 /nfs/dbraw/zinc/65/62/96/1131656296.db2.gz BRWNNAVBJIOFFU-GFCCVEGCSA-N -1 1 295.251 3.587 20 0 CHADMM [O-]c1cc(F)c(CN(Cc2ccccc2)C2CC2)c(F)c1 ZINC001144559931 1131659182 /nfs/dbraw/zinc/65/91/82/1131659182.db2.gz SEAGLWUMXKZQFX-UHFFFAOYSA-N -1 1 289.325 3.835 20 0 CHADMM [O-]c1cc(F)c(CN2Cc3cccc(Cl)c3C2)cc1F ZINC001144659673 1131679533 /nfs/dbraw/zinc/67/95/33/1131679533.db2.gz OTGRJJKUVZORBO-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM C/C(=C/C(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000834822463 1131707453 /nfs/dbraw/zinc/70/74/53/1131707453.db2.gz OJAUJOSONNDLQG-YFHOEESVSA-N -1 1 281.783 3.654 20 0 CHADMM C[C@@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C[C@H]1C ZINC001227880602 1131757677 /nfs/dbraw/zinc/75/76/77/1131757677.db2.gz CMNOFOCXAXGNKF-GMTAPVOTSA-N -1 1 289.404 3.891 20 0 CHADMM C[C@H]1C[C@H](Oc2[n-]c(=S)nc3cnccc32)C[C@@H](C)C1 ZINC001227881491 1131758299 /nfs/dbraw/zinc/75/82/99/1131758299.db2.gz MLQKGTISJMSUNK-URLYPYJESA-N -1 1 289.404 3.891 20 0 CHADMM Cc1cccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c1C ZINC001146226914 1131786854 /nfs/dbraw/zinc/78/68/54/1131786854.db2.gz PQXHDWNDTMHDMH-LBPRGKRZSA-N -1 1 287.334 3.639 20 0 CHADMM CCC(=O)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001147359450 1131819904 /nfs/dbraw/zinc/81/99/04/1131819904.db2.gz RLYIJOLACSPADK-UHFFFAOYSA-N -1 1 297.354 3.800 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@@H]1C=CCC1 ZINC001228186877 1131826617 /nfs/dbraw/zinc/82/66/17/1131826617.db2.gz VMCPAESBDVMPGP-OAHLLOKOSA-N -1 1 280.323 3.721 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)c1csc(Cl)c1 ZINC001140656803 1131852478 /nfs/dbraw/zinc/85/24/78/1131852478.db2.gz CYBJRANTOFHGCE-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@H](C)C1 ZINC001228553419 1131909101 /nfs/dbraw/zinc/90/91/01/1131909101.db2.gz CAWNXAJHZQKGIN-CMPLNLGQSA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@H]1C ZINC001228556767 1131909591 /nfs/dbraw/zinc/90/95/91/1131909591.db2.gz RECNSQKUHDKPQU-QMTHXVAHSA-N -1 1 278.348 3.648 20 0 CHADMM S=c1nc2ccccc2c(O[C@H]2CCc3ccccc32)[n-]1 ZINC001228759384 1131952782 /nfs/dbraw/zinc/95/27/82/1131952782.db2.gz ACGNTYUTUUWZBU-HNNXBMFYSA-N -1 1 294.379 3.985 20 0 CHADMM O=c1ccc2c(O[C@@H]3CCc4ccccc43)cc([O-])cc2o1 ZINC001229129371 1132025089 /nfs/dbraw/zinc/02/50/89/1132025089.db2.gz NRPIBXNWUOTBHT-OAHLLOKOSA-N -1 1 294.306 3.565 20 0 CHADMM C[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)[C@@H]1C ZINC001229134220 1132025412 /nfs/dbraw/zinc/02/54/12/1132025412.db2.gz GRKCJOWVVLWFMJ-JTNHKYCSSA-N -1 1 288.343 3.702 20 0 CHADMM C[C@H]1C[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C[C@@H](C)C1 ZINC001229133735 1132025547 /nfs/dbraw/zinc/02/55/47/1132025547.db2.gz AXMOBTPJTCZNOD-PJXYFTJBSA-N -1 1 288.343 3.702 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCCCCCC1 ZINC000837085744 1132035157 /nfs/dbraw/zinc/03/51/57/1132035157.db2.gz DJIARNWAKFYWBD-UHFFFAOYSA-N -1 1 283.318 3.969 20 0 CHADMM CC[C@@H](C)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229294393 1132049905 /nfs/dbraw/zinc/04/99/05/1132049905.db2.gz OEONEDFKIXIDDX-LLVKDONJSA-N -1 1 286.327 3.506 20 0 CHADMM CC(C)(C)N1CC(Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229410617 1132062966 /nfs/dbraw/zinc/06/29/66/1132062966.db2.gz KZRWWNFUJGMGOP-UHFFFAOYSA-N -1 1 290.190 3.561 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](CC)C(C)C ZINC001229475644 1132073860 /nfs/dbraw/zinc/07/38/60/1132073860.db2.gz CCOVPHBMKXUKJZ-CQSZACIVSA-N -1 1 250.338 3.798 20 0 CHADMM C[C@H]1CCCC[C@@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231200947 1132271442 /nfs/dbraw/zinc/27/14/42/1132271442.db2.gz VNIKZHVUSCKQEX-JSGCOSHPSA-N -1 1 284.359 3.807 20 0 CHADMM COc1ccc(C(=O)Nc2ccccc2C(F)F)c([O-])c1 ZINC001142759102 1132440900 /nfs/dbraw/zinc/44/09/00/1132440900.db2.gz UNXWGZACJQJQTI-UHFFFAOYSA-N -1 1 293.269 3.591 20 0 CHADMM [O-]c1cccc(CN2Cc3ccc(F)cc3C2)c1Cl ZINC001232788180 1132520540 /nfs/dbraw/zinc/52/05/40/1132520540.db2.gz IXARGPPUYUOFBE-UHFFFAOYSA-N -1 1 277.726 3.701 20 0 CHADMM C[C@@H]1CCCCN(C(=O)c2cc3cccc(O)c3cc2[O-])C1 ZINC001149649464 1132545722 /nfs/dbraw/zinc/54/57/22/1132545722.db2.gz CXXIOJNJLTZNBH-GFCCVEGCSA-N -1 1 299.370 3.513 20 0 CHADMM CN(Cc1ccc(Cl)cc1)Cc1ccc(F)c([O-])c1F ZINC001232935753 1132545955 /nfs/dbraw/zinc/54/59/55/1132545955.db2.gz WZIZUJGMXYEPQG-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM C[C@H]1Cc2ccccc2CN1Cc1cc([O-])c(F)c(F)c1 ZINC001232975747 1132556270 /nfs/dbraw/zinc/55/62/70/1132556270.db2.gz OGSVXKGEHSSUGB-NSHDSACASA-N -1 1 289.325 3.617 20 0 CHADMM Cc1cccc(C)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001173873467 1132577814 /nfs/dbraw/zinc/57/78/14/1132577814.db2.gz DUPYFLBTFBLYCQ-UHFFFAOYSA-N -1 1 281.311 3.859 20 0 CHADMM COc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001173825778 1132580918 /nfs/dbraw/zinc/58/09/18/1132580918.db2.gz SJHGWGRURLXISW-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM CCCc1nc(C)c(NC(=O)c2cccc([O-])c2F)s1 ZINC001154647343 1132620614 /nfs/dbraw/zinc/62/06/14/1132620614.db2.gz ROGOEPVGFCDIOQ-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM c1coc(-c2nnc([N-]c3ccc4[nH]ccc4c3)o2)c1 ZINC001173936283 1132648563 /nfs/dbraw/zinc/64/85/63/1132648563.db2.gz MBJDKDLRNGPXLT-UHFFFAOYSA-N -1 1 266.260 3.555 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1OC(C1CC1)C1CC1 ZINC001233650626 1132657019 /nfs/dbraw/zinc/65/70/19/1132657019.db2.gz NKGLNQZMCRDUCA-UHFFFAOYSA-N -1 1 274.360 3.942 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001233650483 1132657452 /nfs/dbraw/zinc/65/74/52/1132657452.db2.gz KVGJLUAIPDEMMW-CYBMUJFWSA-N -1 1 292.375 3.711 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1OC(CC)CC ZINC001233649861 1132657547 /nfs/dbraw/zinc/65/75/47/1132657547.db2.gz DNPKKIXZOWHBGV-UHFFFAOYSA-N -1 1 250.338 3.942 20 0 CHADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001174021040 1132694748 /nfs/dbraw/zinc/69/47/48/1132694748.db2.gz JTKZGMWABXNCDC-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COCc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174093676 1132711684 /nfs/dbraw/zinc/71/16/84/1132711684.db2.gz MYWKBLUZEUJTEJ-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(C(F)(F)F)nc1 ZINC001174310533 1132789502 /nfs/dbraw/zinc/78/95/02/1132789502.db2.gz WZQYDTDJZZJCBI-UHFFFAOYSA-N -1 1 289.644 3.598 20 0 CHADMM COc1cc(Nc2cccc3n[nH]cc32)ccc1[S-] ZINC001174344770 1132803493 /nfs/dbraw/zinc/80/34/93/1132803493.db2.gz CMEHASSSIBYKEV-UHFFFAOYSA-N -1 1 271.345 3.604 20 0 CHADMM [S-]c1cccc(Nc2cc([C@H]3CCCCN3)no2)c1 ZINC001159312675 1132829624 /nfs/dbraw/zinc/82/96/24/1132829624.db2.gz FKUUIJYBOBECBE-GFCCVEGCSA-N -1 1 275.377 3.522 20 0 CHADMM Cc1c(Cl)cc(Nc2cncnc2)c([O-])c1Cl ZINC001174387191 1132830698 /nfs/dbraw/zinc/83/06/98/1132830698.db2.gz MYIIDWBHYQMKAO-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM Cc1cc(C)nc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495020 1132860831 /nfs/dbraw/zinc/86/08/31/1132860831.db2.gz ZOYFRDKJWFRUOD-VOTSOKGWSA-N -1 1 268.316 3.540 20 0 CHADMM Nc1nc2ccc(Nc3cc(F)c([O-])cc3F)cc2s1 ZINC001159822893 1132912694 /nfs/dbraw/zinc/91/26/94/1132912694.db2.gz PTQZMPIRKBYBGH-UHFFFAOYSA-N -1 1 293.298 3.606 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])cc2F)cc(F)c1F ZINC001174584839 1132916969 /nfs/dbraw/zinc/91/69/69/1132916969.db2.gz SECWRANBKGEMCE-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc(C(F)F)c1 ZINC001174619602 1132928632 /nfs/dbraw/zinc/92/86/32/1132928632.db2.gz TZGYQADJOGQKIE-UHFFFAOYSA-N -1 1 298.274 3.550 20 0 CHADMM Cc1c(F)cccc1Nc1ccnc(Cl)c1[O-] ZINC001174667765 1132956812 /nfs/dbraw/zinc/95/68/12/1132956812.db2.gz VRWQZNFEMHAIGX-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM CCO[C@@H](C)n1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001174700754 1132958727 /nfs/dbraw/zinc/95/87/27/1132958727.db2.gz XPAUHOPDMDSJDY-QMMMGPOBSA-N -1 1 299.733 3.680 20 0 CHADMM O=C(Nc1ccncc1[O-])c1ccc(C2CCCCC2)cc1 ZINC001160739258 1132979399 /nfs/dbraw/zinc/97/93/99/1132979399.db2.gz MBDNGTBLIOPPGQ-UHFFFAOYSA-N -1 1 296.370 3.509 20 0 CHADMM Cc1ccccc1C(F)(F)C(=O)Nc1c([O-])cccc1F ZINC001165751251 1133250478 /nfs/dbraw/zinc/25/04/78/1133250478.db2.gz IYFMMCKTFHHHAF-UHFFFAOYSA-N -1 1 295.260 3.570 20 0 CHADMM [O-]c1cc(Nc2ccn3ccnc3c2)c(F)cc1Cl ZINC001204978504 1133511525 /nfs/dbraw/zinc/51/15/25/1133511525.db2.gz SVAJBNKZJFKJBP-UHFFFAOYSA-N -1 1 277.686 3.576 20 0 CHADMM [S-]c1ccccc1-c1ccc(CCN2CCOCC2)cc1 ZINC001205655521 1133600419 /nfs/dbraw/zinc/60/04/19/1133600419.db2.gz VPJHQUOYXLIVTQ-UHFFFAOYSA-N -1 1 299.439 3.517 20 0 CHADMM c1nn2cccnc2c1[N-]c1cc(C2CCCCC2)no1 ZINC001205946611 1133634321 /nfs/dbraw/zinc/63/43/21/1133634321.db2.gz ZJONAWGXKCJHQO-UHFFFAOYSA-N -1 1 283.335 3.509 20 0 CHADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)c2ccccc21 ZINC001206357665 1133693278 /nfs/dbraw/zinc/69/32/78/1133693278.db2.gz JDUNCIYWNQIHEX-SNVBAGLBSA-N -1 1 275.298 3.794 20 0 CHADMM Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1N(C)C ZINC001210042783 1134131912 /nfs/dbraw/zinc/13/19/12/1134131912.db2.gz MAAUHAWPXDLUMQ-UHFFFAOYSA-N -1 1 277.755 3.559 20 0 CHADMM CCc1c(Cl)cc(Nc2ccn(C)n2)c([O-])c1Cl ZINC001210353534 1134197092 /nfs/dbraw/zinc/19/70/92/1134197092.db2.gz KPOYIRQRDGYZRZ-UHFFFAOYSA-N -1 1 286.162 3.739 20 0 CHADMM CCc1ncccc1Nc1cc([O-])c(Cl)cc1F ZINC001210468348 1134222981 /nfs/dbraw/zinc/22/29/81/1134222981.db2.gz UTRVOVFURVUROO-UHFFFAOYSA-N -1 1 266.703 3.886 20 0 CHADMM C[C@@H](O)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001210508313 1134234377 /nfs/dbraw/zinc/23/43/77/1134234377.db2.gz ISTBIUUJCZVGDM-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM O=c1[nH]cc(Nc2c(Cl)ccc([O-])c2Cl)cc1F ZINC001210601386 1134258718 /nfs/dbraw/zinc/25/87/18/1134258718.db2.gz AQFWWEDYDQLBJA-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM CC(=O)c1cccc([O-])c1N=C(C)c1ccccc1 ZINC001210989531 1134344026 /nfs/dbraw/zinc/34/40/26/1134344026.db2.gz OLAXVKUCRASFKT-UHFFFAOYSA-N -1 1 253.301 3.678 20 0 CHADMM Cc1c(Cl)cc(Nc2ccncn2)c([O-])c1Cl ZINC001211028562 1134353002 /nfs/dbraw/zinc/35/30/02/1134353002.db2.gz RMKLOOQIMWEOHU-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM CCOC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001211205886 1134391233 /nfs/dbraw/zinc/39/12/33/1134391233.db2.gz VBSGEFXJBWETIK-UHFFFAOYSA-N -1 1 293.269 3.591 20 0 CHADMM CC(C)(O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211338657 1134409962 /nfs/dbraw/zinc/40/99/62/1134409962.db2.gz GNTLRKMMPWEBKH-UHFFFAOYSA-N -1 1 264.271 3.565 20 0 CHADMM COC(=O)c1cc(-c2cc(F)c([O-])cc2F)c(C)cc1C ZINC001211338018 1134410099 /nfs/dbraw/zinc/41/00/99/1134410099.db2.gz AZULTBQKFSRZOC-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM COc1cc2[nH]ccc2c(-c2cc(F)c([O-])cc2F)c1 ZINC001211352404 1134410868 /nfs/dbraw/zinc/41/08/68/1134410868.db2.gz MHWYHBZHINRFAG-UHFFFAOYSA-N -1 1 275.254 3.827 20 0 CHADMM [O-]c1cc(F)c(-c2ccccc2OC2CC2)cc1F ZINC001211352171 1134410879 /nfs/dbraw/zinc/41/08/79/1134410879.db2.gz IMNZOFFRBGYIPI-UHFFFAOYSA-N -1 1 262.255 3.879 20 0 CHADMM Cc1cc(-c2cc(F)c([O-])cc2F)cnc1OC(C)C ZINC001211359461 1134412615 /nfs/dbraw/zinc/41/26/15/1134412615.db2.gz HRHBABPQHKBOSC-UHFFFAOYSA-N -1 1 279.286 3.828 20 0 CHADMM Cc1cc(-c2cc(F)c([O-])cc2F)ccc1N(C)C ZINC001211360789 1134412801 /nfs/dbraw/zinc/41/28/01/1134412801.db2.gz WKQVMHFUQWXVQN-UHFFFAOYSA-N -1 1 263.287 3.712 20 0 CHADMM CCOC(=O)c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001213175006 1134434409 /nfs/dbraw/zinc/43/44/09/1134434409.db2.gz HWMVHQGNYRZEHM-UHFFFAOYSA-N -1 1 293.269 3.591 20 0 CHADMM Cc1nn(C)c2cc(Nc3cc([O-])c(F)c(F)c3)ccc12 ZINC001213760342 1134480801 /nfs/dbraw/zinc/48/08/01/1134480801.db2.gz HBFZGNHSVONRCR-UHFFFAOYSA-N -1 1 289.285 3.609 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(Cl)cc2O)cc1F ZINC001214411684 1134536629 /nfs/dbraw/zinc/53/66/29/1134536629.db2.gz GIAMGYUOXZIEFL-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)cnc1F ZINC001214482687 1134542875 /nfs/dbraw/zinc/54/28/75/1134542875.db2.gz IXMOARAJHXJYMR-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM Cn1cnc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214488626 1134543159 /nfs/dbraw/zinc/54/31/59/1134543159.db2.gz IKWLUHYRHBUFGP-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1O ZINC001214486535 1134543305 /nfs/dbraw/zinc/54/33/05/1134543305.db2.gz LWFBMEPDMTUQNL-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM CCOc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482971 1134543810 /nfs/dbraw/zinc/54/38/10/1134543810.db2.gz XHULPGRXJYPHKX-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214486552 1134543885 /nfs/dbraw/zinc/54/38/85/1134543885.db2.gz MNDYDPDVDBSACZ-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(F)c(O)cc2F)cc1Cl ZINC001214491628 1134544530 /nfs/dbraw/zinc/54/45/30/1134544530.db2.gz GMMNXBAVLSXHRH-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM O=C1Cc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc2C1 ZINC001214493930 1134545381 /nfs/dbraw/zinc/54/53/81/1134545381.db2.gz CQRUMADGUMKIMM-UHFFFAOYSA-N -1 1 291.709 3.596 20 0 CHADMM CC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)c(F)c1F ZINC001214983630 1134591332 /nfs/dbraw/zinc/59/13/32/1134591332.db2.gz JZJVLBMOEMZHLA-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM CCCOc1ccc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001215567342 1134643669 /nfs/dbraw/zinc/64/36/69/1134643669.db2.gz XJNBGMNNOULTGL-UHFFFAOYSA-N -1 1 298.264 3.737 20 0 CHADMM COc1cc(C)cc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001215708794 1134664763 /nfs/dbraw/zinc/66/47/63/1134664763.db2.gz HUASQZOJYQFXDT-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Cc1ccc(Nc2ccc([S-])cc2)c2cn[nH]c21 ZINC001215758299 1134675720 /nfs/dbraw/zinc/67/57/20/1134675720.db2.gz OPYSTWPONYRPFM-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM CCc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC001215826179 1134695368 /nfs/dbraw/zinc/69/53/68/1134695368.db2.gz HLTVDTQGIGIVEC-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM FC(F)(F)c1cccc(Cl)c1[N-]c1cnns1 ZINC001215969684 1134736476 /nfs/dbraw/zinc/73/64/76/1134736476.db2.gz MYGIOLWLKYGREQ-UHFFFAOYSA-N -1 1 279.674 3.954 20 0 CHADMM [O-]c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1F ZINC001215988665 1134742578 /nfs/dbraw/zinc/74/25/78/1134742578.db2.gz DFFFCPYXXNPJKM-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC(C)c1ccc(N)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001216019438 1134750557 /nfs/dbraw/zinc/75/05/57/1134750557.db2.gz PEYBTTOJYDXKQZ-UHFFFAOYSA-N -1 1 284.319 3.779 20 0 CHADMM CC(C)c1cc(Nc2ccnc(Cl)c2[O-])ccc1N ZINC001216043685 1134758677 /nfs/dbraw/zinc/75/86/77/1134758677.db2.gz 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/nfs/dbraw/zinc/50/28/79/1135502879.db2.gz KSUFENSHQLIMMD-CQSZACIVSA-N -1 1 286.308 3.502 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCC=CCCC1 ZINC001225616509 1135595995 /nfs/dbraw/zinc/59/59/95/1135595995.db2.gz JZTIXKZYDUDQKI-AWEZNQCLSA-N -1 1 260.333 3.863 20 0 CHADMM CC(=O)c1ccc([O-])cc1OC1CCC(C)(C)CC1 ZINC001225616955 1135596783 /nfs/dbraw/zinc/59/67/83/1135596783.db2.gz RLUDMROPNIJBES-UHFFFAOYSA-N -1 1 262.349 3.942 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccc(F)cc1 ZINC001225617167 1135596713 /nfs/dbraw/zinc/59/67/13/1135596713.db2.gz VBUQGFJOPDGJMO-NSHDSACASA-N -1 1 274.291 3.874 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001225619539 1135597132 /nfs/dbraw/zinc/59/71/32/1135597132.db2.gz WFDUFDRCADUQEW-ZIBATOQPSA-N -1 1 262.349 3.798 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cccc(F)c1 ZINC001225616709 1135597180 /nfs/dbraw/zinc/59/71/80/1135597180.db2.gz NSXYBQYSULPHCR-LLVKDONJSA-N -1 1 274.291 3.874 20 0 CHADMM CCCCC[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O 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CCc1cc(=O)[n-]c(S[C@H](CC)c2ccc(F)cc2)n1 ZINC000195072740 331137318 /nfs/dbraw/zinc/13/73/18/331137318.db2.gz RLGDNYNTLDYASQ-CYBMUJFWSA-N -1 1 292.379 3.715 20 0 CHADMM O=C(Nc1ccccc1OC1CCCC1)c1ccccc1[O-] ZINC000195645317 331179408 /nfs/dbraw/zinc/17/94/08/331179408.db2.gz OERFXOYITYGXHR-UHFFFAOYSA-N -1 1 297.354 3.966 20 0 CHADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000456796901 331204217 /nfs/dbraw/zinc/20/42/17/331204217.db2.gz XPXJVKFYHZISDR-MRVPVSSYSA-N -1 1 271.307 3.681 20 0 CHADMM CCCC[C@H](CCC)NC(=O)c1ccc([O-])cc1F ZINC000164504236 331244852 /nfs/dbraw/zinc/24/48/52/331244852.db2.gz RVEWIYNPQKBRAB-NSHDSACASA-N -1 1 267.344 3.620 20 0 CHADMM CC1(CC(F)(F)F)CN(Cc2cccc([O-])c2Cl)C1 ZINC000459634703 331291328 /nfs/dbraw/zinc/29/13/28/331291328.db2.gz IHAHQDYYNWUXKY-UHFFFAOYSA-N -1 1 293.716 3.820 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167044615 331307795 /nfs/dbraw/zinc/30/77/95/331307795.db2.gz VXKMXDLHNCQRFA-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM CC(C)(C)C(C)(C)C(=O)Nc1ccc(F)cc1[O-] ZINC000490647204 332099257 /nfs/dbraw/zinc/09/92/57/332099257.db2.gz IHZRUYGLEWNIML-UHFFFAOYSA-N -1 1 253.317 3.542 20 0 CHADMM CN(Cc1cc(F)cc(F)c1)Cc1cccc([O-])c1Cl ZINC000513254899 333011149 /nfs/dbraw/zinc/01/11/49/333011149.db2.gz CTMZUVVLFYRYAR-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)C2 ZINC000513405821 333017587 /nfs/dbraw/zinc/01/75/87/333017587.db2.gz JJLZILSBYQVAFH-UHFFFAOYSA-N -1 1 273.763 3.870 20 0 CHADMM Cc1ccc(Cl)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000220130246 333163205 /nfs/dbraw/zinc/16/32/05/333163205.db2.gz UPGMEWKYZQMQRJ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530004142 333517697 /nfs/dbraw/zinc/51/76/97/333517697.db2.gz BXPRQIURQXGNHN-CQSZACIVSA-N -1 1 295.354 3.598 20 0 CHADMM Cc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000576067589 335148600 /nfs/dbraw/zinc/14/86/00/335148600.db2.gz TZMNPLKFTUSUQO-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000538746278 333623250 /nfs/dbraw/zinc/62/32/50/333623250.db2.gz LDMDGQHCGPEGGU-KYOSRNDESA-N -1 1 291.366 3.572 20 0 CHADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000131398539 333933835 /nfs/dbraw/zinc/93/38/35/333933835.db2.gz STRSPNZHWZWCFX-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM CC(C)[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000134964753 334109837 /nfs/dbraw/zinc/10/98/37/334109837.db2.gz BLTYMVXAEKPZLX-HNNXBMFYSA-N -1 1 283.371 3.664 20 0 CHADMM [O-]c1ccc(-c2noc(C3CC4(CCC4)C3)n2)c(F)c1 ZINC000566217281 334636676 /nfs/dbraw/zinc/63/66/76/334636676.db2.gz KVRZGGLSPPFQOQ-UHFFFAOYSA-N -1 1 274.295 3.629 20 0 CHADMM O=C([O-])CCC1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000167037932 334923284 /nfs/dbraw/zinc/92/32/84/334923284.db2.gz GRHCXOQSWRLNPZ-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccsc2)cs1 ZINC000576589712 335223531 /nfs/dbraw/zinc/22/35/31/335223531.db2.gz BUHNSNUEGOGQNR-GFCCVEGCSA-N -1 1 293.413 3.845 20 0 CHADMM O=c1cc(C(F)F)nc(SCCCc2ccccc2)[n-]1 ZINC000576742682 335242143 /nfs/dbraw/zinc/24/21/43/335242143.db2.gz AQNOOWRBSJMNMX-UHFFFAOYSA-N -1 1 296.342 3.845 20 0 CHADMM COc1ccc(C(=O)Nc2cccc3ccsc32)c([O-])c1 ZINC000386439601 336174526 /nfs/dbraw/zinc/17/45/26/336174526.db2.gz OOCRSPUIJQARQP-UHFFFAOYSA-N -1 1 299.351 3.868 20 0 CHADMM O=C(Nc1cccc(C(F)F)c1)c1c(F)ccc([O-])c1F ZINC000335949319 534333516 /nfs/dbraw/zinc/33/35/16/534333516.db2.gz YZEAEYPZEQHODH-UHFFFAOYSA-N -1 1 299.223 3.860 20 0 CHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1-c1ncco1 ZINC000150946279 525247268 /nfs/dbraw/zinc/24/72/68/525247268.db2.gz IOMIUBADWQMCOA-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cncc([O-])c1 ZINC000339931762 525342589 /nfs/dbraw/zinc/34/25/89/525342589.db2.gz IBMOXDSUOKSHJY-QGZVFWFLSA-N -1 1 298.386 3.565 20 0 CHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000062015296 599847461 /nfs/dbraw/zinc/84/74/61/599847461.db2.gz VYNPCUKZLISLEB-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM Cc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000584356387 600217870 /nfs/dbraw/zinc/21/78/70/600217870.db2.gz LOLAHKGHJMWCQK-CYBMUJFWSA-N -1 1 289.331 3.525 20 0 CHADMM CCCCc1oc2ccccc2c1CN(C)[C@H](C)C(=O)[O-] ZINC000236921446 600947837 /nfs/dbraw/zinc/94/78/37/600947837.db2.gz AHUMECXOIWANAZ-GFCCVEGCSA-N -1 1 289.375 3.680 20 0 CHADMM C[C@H]1c2ccccc2CN1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527803 601117133 /nfs/dbraw/zinc/11/71/33/601117133.db2.gz PCWVAQHQAUEWFP-MEDUHNTESA-N -1 1 285.318 3.528 20 0 CHADMM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828457082 601179432 /nfs/dbraw/zinc/17/94/32/601179432.db2.gz QQBCEMHPPFQYOR-YVEFUNNKSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@H](c1ccccc1F)N(C)Cc1ccsc1C(=O)[O-] ZINC000110956852 601807601 /nfs/dbraw/zinc/80/76/01/601807601.db2.gz BFMUKLLTCNLIQX-SNVBAGLBSA-N -1 1 293.363 3.778 20 0 CHADMM C[C@@H]1c2ccccc2CN1Cc1ccsc1C(=O)[O-] ZINC000828528727 601837865 /nfs/dbraw/zinc/83/78/65/601837865.db2.gz ZVMIYCMGTUFDRV-SNVBAGLBSA-N -1 1 273.357 3.523 20 0 CHADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037425162 602030920 /nfs/dbraw/zinc/03/09/20/602030920.db2.gz MLJKYAMUNDHYRG-GFCCVEGCSA-N -1 1 288.174 3.605 20 0 CHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccc(C)cc1 ZINC000833643988 605062990 /nfs/dbraw/zinc/06/29/90/605062990.db2.gz KAXIHTDUFJPUQE-HNNXBMFYSA-N -1 1 287.359 3.836 20 0 CHADMM CCc1ccc(C(C)(C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000833671462 605146044 /nfs/dbraw/zinc/14/60/44/605146044.db2.gz YKMVKQMPLXOGGO-UHFFFAOYSA-N -1 1 287.359 3.565 20 0 CHADMM O=C([O-])[C@@H]1CN([C@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082082 950808369 /nfs/dbraw/zinc/80/83/69/950808369.db2.gz XRBUQXMRJHPLAW-DOTOQJQBSA-N -1 1 285.387 3.559 20 0 CHADMM CC(C)C[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000043432574 957431270 /nfs/dbraw/zinc/43/12/70/957431270.db2.gz HWVYKMCIDDWVRX-YPMHNXCESA-N -1 1 275.348 3.583 20 0 CHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000050507713 957492955 /nfs/dbraw/zinc/49/29/55/957492955.db2.gz XVWKHYGKDDODDY-ABAIWWIYSA-N -1 1 289.762 3.817 20 0 CHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC000211418071 959684283 /nfs/dbraw/zinc/68/42/83/959684283.db2.gz PFWMMJBKRKFPTN-NHYWBVRUSA-N -1 1 289.762 3.817 20 0 CHADMM CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000228162158 959997534 /nfs/dbraw/zinc/99/75/34/959997534.db2.gz QPXGHQSSJVFZPW-HNNXBMFYSA-N -1 1 273.332 3.527 20 0 CHADMM C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873599 963944873 /nfs/dbraw/zinc/94/48/73/963944873.db2.gz AOXDTZASGBKNLK-LRDDRELGSA-N -1 1 299.370 3.733 20 0 CHADMM Cc1cccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000212107573 967687445 /nfs/dbraw/zinc/68/74/45/967687445.db2.gz MUMRFGNAXMICEJ-OAHLLOKOSA-N -1 1 289.762 3.564 20 0 CHADMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2F)s1 ZINC001606491068 973972694 /nfs/dbraw/zinc/97/26/94/973972694.db2.gz BELGVQRUSVCXJS-UHFFFAOYSA-N -1 1 299.754 3.529 20 0 CHADMM CC(C)c1[nH]c(CN2CCC[C@@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001591912403 976344791 /nfs/dbraw/zinc/34/47/91/976344791.db2.gz MCXWPASQAMNBCI-SWLSCSKDSA-N -1 1 290.407 3.601 20 0 CHADMM C[C@H]1c2sccc2CC[N@@H+]1Cc1ccsc1C(=O)[O-] ZINC000712341234 977580070 /nfs/dbraw/zinc/58/00/70/977580070.db2.gz OIIPJSIOINGPHZ-VIFPVBQESA-N -1 1 293.413 3.627 20 0 CHADMM CC(C)(C)c1ccc(CNCc2ccc(C(=O)[O-])o2)s1 ZINC000756284782 978697239 /nfs/dbraw/zinc/69/72/39/978697239.db2.gz GDOYMJMUHIAWCS-UHFFFAOYSA-N -1 1 293.388 3.627 20 0 CHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000901852110 980578019 /nfs/dbraw/zinc/57/80/19/980578019.db2.gz XHEFHBPULYEAEH-OAHLLOKOSA-N -1 1 289.400 3.589 20 0 CHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000901852109 980578038 /nfs/dbraw/zinc/57/80/38/980578038.db2.gz XHEFHBPULYEAEH-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM CCc1oc(CNC2(c3ccccc3C)CC2)cc1C(=O)[O-] ZINC000902271773 980811061 /nfs/dbraw/zinc/81/10/61/980811061.db2.gz QEQSKQJWOCZOGD-UHFFFAOYSA-N -1 1 299.370 3.628 20 0 CHADMM CCCC[C@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC001595637879 981937185 /nfs/dbraw/zinc/93/71/85/981937185.db2.gz WQTNWVWZGYFUSB-PWSUYJOCSA-N -1 1 292.404 3.590 20 0 CHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001597349308 987484620 /nfs/dbraw/zinc/48/46/20/987484620.db2.gz FBQBGZZYQFMZLQ-AWEZNQCLSA-N -1 1 291.322 3.666 20 0 CHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC001597349312 987484689 /nfs/dbraw/zinc/48/46/89/987484689.db2.gz FJJZWEULAFXPLB-HNNXBMFYSA-N -1 1 291.322 3.666 20 0 CHADMM CC(C)C[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207620 992042876 /nfs/dbraw/zinc/04/28/76/992042876.db2.gz STJDKDMEFPPZKA-RYUDHWBXSA-N -1 1 296.436 3.660 20 0 CHADMM C[C@H](c1cc2ccccc2o1)N(C)Cc1occc1C(=O)[O-] ZINC001593687283 996126692 /nfs/dbraw/zinc/12/66/92/996126692.db2.gz PPVUTIOMZYAIPT-LLVKDONJSA-N -1 1 299.326 3.917 20 0 CHADMM CC(=O)c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001175181454 1121219767 /nfs/dbraw/zinc/21/97/67/1121219767.db2.gz SWWFQBDIFKRNBK-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)cc(F)c2)c1F ZINC001176669844 1121672159 /nfs/dbraw/zinc/67/21/59/1121672159.db2.gz MJXOMUUOZPLSEF-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC[C@@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436571684 1122563163 /nfs/dbraw/zinc/56/31/63/1122563163.db2.gz DHJIYKOBKANMBP-HNNXBMFYSA-N -1 1 281.783 3.698 20 0 CHADMM O=C(Nc1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000334165608 1122966431 /nfs/dbraw/zinc/96/64/31/1122966431.db2.gz AGMKWDDDIKRONJ-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cc1nc(SCCSC(C)C)[n-]c(=O)c1C1CC1 ZINC000865373105 1123975326 /nfs/dbraw/zinc/97/53/26/1123975326.db2.gz GDHCCDPWHMZOHZ-UHFFFAOYSA-N -1 1 284.450 3.602 20 0 CHADMM CCN(Cc1cccs1)Cc1ccc([O-])c(F)c1F ZINC001140892251 1131958441 /nfs/dbraw/zinc/95/84/41/1131958441.db2.gz GJVFUBRVLNARQG-UHFFFAOYSA-N -1 1 283.343 3.754 20 0 CHADMM CN(Cc1ccc([S-])cc1)Cc1cccc(F)c1F ZINC001233262317 1132592018 /nfs/dbraw/zinc/59/20/18/1132592018.db2.gz AUVWQPGZXCOITP-UHFFFAOYSA-N -1 1 279.355 3.886 20 0 CHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000251891086 1125520462 /nfs/dbraw/zinc/52/04/62/1125520462.db2.gz RUXSCAXZSRLXCV-NRUUGDAUSA-N -1 1 281.783 3.600 20 0 CHADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000110325237 1125629130 /nfs/dbraw/zinc/62/91/30/1125629130.db2.gz KQMQHFFHHJZKPU-LLVKDONJSA-N -1 1 289.762 3.845 20 0 CHADMM CC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1C ZINC001212016230 1125653531 /nfs/dbraw/zinc/65/35/31/1125653531.db2.gz FRMCWZHWCPWYHE-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM Cn1c(Nc2cc([O-])c(F)c(F)c2)cc2ccccc21 ZINC001212049380 1125667616 /nfs/dbraw/zinc/66/76/16/1125667616.db2.gz RVABBEFVOXYJEB-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM CCCCC[C@@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001253540597 1125728902 /nfs/dbraw/zinc/72/89/02/1125728902.db2.gz BKMOXNPAPOJPNL-SECBINFHSA-N -1 1 275.751 3.538 20 0 CHADMM CC(C)C[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000036819337 1126815322 /nfs/dbraw/zinc/81/53/22/1126815322.db2.gz XIGFQSJALUKQGV-GFCCVEGCSA-N -1 1 271.360 3.710 20 0 CHADMM Cc1sccc1CN[C@H](CC(=O)[O-])c1ccccc1F ZINC000904046251 1126824237 /nfs/dbraw/zinc/82/42/37/1126824237.db2.gz YDHCUMRWJPWJRM-CQSZACIVSA-N -1 1 293.363 3.501 20 0 CHADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)o2)c1 ZINC000904045365 1126824469 /nfs/dbraw/zinc/82/44/69/1126824469.db2.gz ICUQHCBUCNQNAK-CYBMUJFWSA-N -1 1 293.750 3.547 20 0 CHADMM COc1cnc(C=Cc2ccc(C(C)(C)C)s2)[n-]c1=O ZINC000905077398 1126888235 /nfs/dbraw/zinc/88/82/35/1126888235.db2.gz VOLWJMAHXFMROA-SOFGYWHQSA-N -1 1 290.388 3.720 20 0 CHADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183608032 1126889421 /nfs/dbraw/zinc/88/94/21/1126889421.db2.gz ZZCIGIJZCCHNCF-JQWIXIFHSA-N -1 1 297.782 3.579 20 0 CHADMM CC[C@@H](C)CC(=O)Nc1cccc([O-])c1Br ZINC000908711158 1127012890 /nfs/dbraw/zinc/01/28/90/1127012890.db2.gz YMDMCIHZUVYIBZ-MRVPVSSYSA-N -1 1 286.169 3.529 20 0 CHADMM CCC/C(C)=C\C(=O)Nc1cccc([O-])c1Br ZINC000908717067 1127014175 /nfs/dbraw/zinc/01/41/75/1127014175.db2.gz RZYCQKOEZRIGLY-HJWRWDBZSA-N -1 1 298.180 3.840 20 0 CHADMM CC(C)(CC(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000910995189 1127075690 /nfs/dbraw/zinc/07/56/90/1127075690.db2.gz WSRUDKVKFCTAJC-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM [O-]c1cccc(CN2CCc3ccsc3C2)c1Cl ZINC000351608244 1127198269 /nfs/dbraw/zinc/19/82/69/1127198269.db2.gz OGZSESCCFQIHHS-UHFFFAOYSA-N -1 1 279.792 3.665 20 0 CHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000165665792 1127241250 /nfs/dbraw/zinc/24/12/50/1127241250.db2.gz WLNPDVCMKZWCOC-ZDUSSCGKSA-N -1 1 299.773 3.698 20 0 CHADMM CCC[C@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225018753 1127321354 /nfs/dbraw/zinc/32/13/54/1127321354.db2.gz HFIMXYIKIVJIHV-AWEZNQCLSA-N -1 1 292.356 3.710 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCCC(F)(F)C3)n2)c(F)c1 ZINC000289054913 1127371572 /nfs/dbraw/zinc/37/15/72/1127371572.db2.gz LDJOQTNURMJXSM-QMMMGPOBSA-N -1 1 298.264 3.874 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289099879 1127373732 /nfs/dbraw/zinc/37/37/32/1127373732.db2.gz CCFXERBMLDZCLW-GHMZBOCLSA-N -1 1 297.345 3.615 20 0 CHADMM Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000294869004 1127605253 /nfs/dbraw/zinc/60/52/53/1127605253.db2.gz JZERWQXLALMOJK-CQSZACIVSA-N -1 1 290.794 3.721 20 0 CHADMM CSCc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000603941370 1127683955 /nfs/dbraw/zinc/68/39/55/1127683955.db2.gz HYDNZPULWMVKSY-UHFFFAOYSA-N -1 1 296.395 3.762 20 0 CHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1ccc(F)cc1 ZINC000605439377 1127735821 /nfs/dbraw/zinc/73/58/21/1127735821.db2.gz HNEAKSQISNOHDA-SNVBAGLBSA-N -1 1 291.297 3.803 20 0 CHADMM O=C(CCc1c[nH]c2ccccc12)Nc1c([O-])cccc1F ZINC000605438294 1127736473 /nfs/dbraw/zinc/73/64/73/1127736473.db2.gz SGANVZGHXCNNQD-UHFFFAOYSA-N -1 1 298.317 3.584 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CC2)CC1 ZINC000372581839 1127806217 /nfs/dbraw/zinc/80/62/17/1127806217.db2.gz HKRSBRZMDVSZAT-UHFFFAOYSA-N -1 1 281.355 3.562 20 0 CHADMM O=C(CC/C=C/c1ccccc1)Nc1c([O-])cccc1F ZINC000608367206 1127862481 /nfs/dbraw/zinc/86/24/81/1127862481.db2.gz MUQGKWFMCVGPKD-RUDMXATFSA-N -1 1 285.318 3.963 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc2cccc(F)c2o1 ZINC000608365849 1127862665 /nfs/dbraw/zinc/86/26/65/1127862665.db2.gz KRUHJHHBUKVWBZ-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM O=C(CCc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000608365266 1127862844 /nfs/dbraw/zinc/86/28/44/1127862844.db2.gz DTKWIERZIFMPSZ-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000308352402 1127905008 /nfs/dbraw/zinc/90/50/08/1127905008.db2.gz DJHLMANYQYJAMT-SSDOTTSWSA-N -1 1 296.219 3.740 20 0 CHADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000412804711 1127928104 /nfs/dbraw/zinc/92/81/04/1127928104.db2.gz CQWKDJCHXATJQJ-KOLCDFICSA-N -1 1 297.345 3.615 20 0 CHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000402627568 1128019057 /nfs/dbraw/zinc/01/90/57/1128019057.db2.gz BOBJZOHJPABFFA-CQSZACIVSA-N -1 1 295.382 3.974 20 0 CHADMM Cc1nc(Cl)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000151751806 1128075022 /nfs/dbraw/zinc/07/50/22/1128075022.db2.gz XRHCJFSEIQDLQE-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@H]3CCCC3(F)F)n2)c(F)c1 ZINC000924006187 1128089297 /nfs/dbraw/zinc/08/92/97/1128089297.db2.gz TYVJJRPLKCNBDJ-MRVPVSSYSA-N -1 1 298.264 3.559 20 0 CHADMM O=C(CC1CCC(F)(F)CC1)Nc1c([O-])cccc1F ZINC000626277209 1128159920 /nfs/dbraw/zinc/15/99/20/1128159920.db2.gz IBCRVGJVQQNBLT-UHFFFAOYSA-N -1 1 287.281 3.685 20 0 CHADMM CN(C(=O)c1ccc([O-])cc1F)C1CCCCCCC1 ZINC000777856057 1128293551 /nfs/dbraw/zinc/29/35/51/1128293551.db2.gz WFYDQMQZZUJXSC-UHFFFAOYSA-N -1 1 279.355 3.716 20 0 CHADMM Cc1ccc2c(c1)nc(-c1ccc([O-])c(Cl)c1)n2C ZINC000037438816 1128432554 /nfs/dbraw/zinc/43/25/54/1128432554.db2.gz BWZPYLQGBMHMQB-UHFFFAOYSA-N -1 1 272.735 3.908 20 0 CHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000088302026 1128436528 /nfs/dbraw/zinc/43/65/28/1128436528.db2.gz MZTZIYOKKOXHPH-VHSXEESVSA-N -1 1 269.772 3.600 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000124888589 1128446392 /nfs/dbraw/zinc/44/63/92/1128446392.db2.gz KXGALQSNUAHMKH-DYVFJYSZSA-N -1 1 295.382 3.950 20 0 CHADMM Cc1oc([C@H](C)N(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000563966025 1128487725 /nfs/dbraw/zinc/48/77/25/1128487725.db2.gz GETPLBQDDJXROK-JTQLQIEISA-N -1 1 291.322 3.618 20 0 CHADMM C[C@@H](CS[C@H]1COC(C)(C)C1)C(=O)c1ccc([O-])cc1 ZINC000918158500 1128538157 /nfs/dbraw/zinc/53/81/57/1128538157.db2.gz BFRHQDZGVYXHPR-SMDDNHRTSA-N -1 1 294.416 3.512 20 0 CHADMM CC[C@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000566748017 1128550482 /nfs/dbraw/zinc/55/04/82/1128550482.db2.gz HHXUFFQSOVSFCM-LBPRGKRZSA-N -1 1 260.362 3.734 20 0 CHADMM Cc1cnc(S[C@@H]2CCc3ccc(Cl)cc32)[n-]c1=O ZINC000568271587 1128580958 /nfs/dbraw/zinc/58/09/58/1128580958.db2.gz FXYOQKLVEUXYPW-GFCCVEGCSA-N -1 1 292.791 3.924 20 0 CHADMM Cc1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1 ZINC000200378864 1117939810 /nfs/dbraw/zinc/93/98/10/1117939810.db2.gz QCPKMLUWHFGKEX-JYRVWZFOSA-N -1 1 285.324 3.579 20 0 CHADMM CC(C)N(CC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000048185972 1118033089 /nfs/dbraw/zinc/03/30/89/1118033089.db2.gz ZKHNRYPFXXGPBT-UHFFFAOYSA-N -1 1 283.371 3.806 20 0 CHADMM CC(C)[C@H](C[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000804705992 1118071278 /nfs/dbraw/zinc/07/12/78/1118071278.db2.gz KXJRNIRQOQUMHU-NSHDSACASA-N -1 1 293.716 3.758 20 0 CHADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397158224 1118077872 /nfs/dbraw/zinc/07/78/72/1118077872.db2.gz QEKPJWYKEPCERL-YJBOKZPZSA-N -1 1 283.371 3.710 20 0 CHADMM O=C(OCc1ccc(C(F)F)cc1)c1ccc([O-])cc1F ZINC000764576514 1118100106 /nfs/dbraw/zinc/10/01/06/1118100106.db2.gz ZSIGHBIFYCAJJS-UHFFFAOYSA-N -1 1 296.244 3.826 20 0 CHADMM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC001648847517 1118254159 /nfs/dbraw/zinc/25/41/59/1118254159.db2.gz RFOSMWBLZKGLGU-GFCCVEGCSA-N -1 1 287.334 3.972 20 0 CHADMM Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001648850992 1118257730 /nfs/dbraw/zinc/25/77/30/1118257730.db2.gz REZNIAKHGYOVAS-UHFFFAOYSA-N -1 1 291.322 3.983 20 0 CHADMM CCCCCC[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000071781678 1118279609 /nfs/dbraw/zinc/27/96/09/1118279609.db2.gz GVBQQNMXKUBZPB-LLVKDONJSA-N -1 1 267.344 3.620 20 0 CHADMM Cc1nc(S[C@H]2CCc3ccccc32)[n-]c(=O)c1C ZINC000683739596 1118325109 /nfs/dbraw/zinc/32/51/09/1118325109.db2.gz XRGHIKIZXHVITL-ZDUSSCGKSA-N -1 1 272.373 3.579 20 0 CHADMM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001627411967 1118325522 /nfs/dbraw/zinc/32/55/22/1118325522.db2.gz WLBCHTMTWKFPKU-LBPRGKRZSA-N -1 1 287.334 3.639 20 0 CHADMM Cc1oc(C(C)C)cc1C(=O)Nc1c([O-])cccc1F ZINC000671784868 1118397396 /nfs/dbraw/zinc/39/73/96/1118397396.db2.gz BCDZALDKTSANIB-UHFFFAOYSA-N -1 1 277.295 3.808 20 0 CHADMM CSc1ccccc1[N-]C(=O)c1scnc1Cl ZINC000047196517 1118401679 /nfs/dbraw/zinc/40/16/79/1118401679.db2.gz CGDKIEYROPAWRS-UHFFFAOYSA-N -1 1 284.793 3.771 20 0 CHADMM CCCC(C)(C)CC(=O)Nc1c([O-])cccc1F ZINC000683864896 1118419413 /nfs/dbraw/zinc/41/94/13/1118419413.db2.gz TUGQUUQHNXTOOE-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM Cc1nn(C)c(C)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210923972 1118423480 /nfs/dbraw/zinc/42/34/80/1118423480.db2.gz ALVLSLIPCCKGFC-UHFFFAOYSA-N -1 1 286.162 3.793 20 0 CHADMM [O-]c1c(F)cc(/C=C\c2nc3ccccc3o2)cc1F ZINC000255491455 1118441421 /nfs/dbraw/zinc/44/14/21/1118441421.db2.gz PTFGBFFJWPCWAY-WAYWQWQTSA-N -1 1 273.238 3.982 20 0 CHADMM COc1ccc2ccc(-c3cc(F)c([O-])cc3F)cc2n1 ZINC001211339462 1118505288 /nfs/dbraw/zinc/50/52/88/1118505288.db2.gz PGTLUEYNEQKKKZ-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM CC1(C2(NC(=O)c3cc4ccccc4cc3[O-])CC2)CC1 ZINC000398278544 1118508875 /nfs/dbraw/zinc/50/88/75/1118508875.db2.gz MQIGWVBQFRZAQA-UHFFFAOYSA-N -1 1 281.355 3.608 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)c(F)cc(F)c2F)cc1F ZINC001215571771 1118529148 /nfs/dbraw/zinc/52/91/48/1118529148.db2.gz MHKZECVOPINFSE-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM CC(C)=CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000657242837 1118932211 /nfs/dbraw/zinc/93/22/11/1118932211.db2.gz HSLMSGBKXUEUPX-UHFFFAOYSA-N -1 1 294.420 3.512 20 0 CHADMM Cc1cnc(SCC[C@H]2CCc3ccccc32)[n-]c1=O ZINC000657261926 1118941952 /nfs/dbraw/zinc/94/19/52/1118941952.db2.gz YMVFWTVZENXHQJ-CYBMUJFWSA-N -1 1 286.400 3.703 20 0 CHADMM CC(C)CCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000600974844 1119543957 /nfs/dbraw/zinc/54/39/57/1119543957.db2.gz BBOAUTFRDWLBAF-UHFFFAOYSA-N -1 1 284.359 3.628 20 0 CHADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000650807145 1119617589 /nfs/dbraw/zinc/61/75/89/1119617589.db2.gz QKLNDIMGQXMLRS-OAHLLOKOSA-N -1 1 287.359 3.550 20 0 CHADMM CCOc1ccc(Nc2c([O-])cc(F)cc2F)c(OC)c1 ZINC001213118025 1120060462 /nfs/dbraw/zinc/06/04/62/1120060462.db2.gz DZQOMSVVPBDHSY-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000378814803 1120132817 /nfs/dbraw/zinc/13/28/17/1120132817.db2.gz BEILPHMAAPDYAA-CHWSQXEVSA-N -1 1 293.794 3.696 20 0 CHADMM CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000668864555 1120166458 /nfs/dbraw/zinc/16/64/58/1120166458.db2.gz ZGVYPAAKACBLDN-CYBMUJFWSA-N -1 1 298.386 3.593 20 0 CHADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001625894252 1120243435 /nfs/dbraw/zinc/24/34/35/1120243435.db2.gz UIJQNIYPDCKSPB-VHSXEESVSA-N -1 1 283.318 3.825 20 0 CHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])c(OC)c1 ZINC001213117363 1128905237 /nfs/dbraw/zinc/90/52/37/1128905237.db2.gz WVMGKZNHLBNDNW-UHFFFAOYSA-N -1 1 294.738 3.592 20 0 CHADMM CC(=O)c1cccc(O)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214492221 1120326966 /nfs/dbraw/zinc/32/69/66/1120326966.db2.gz UERLBRLLBNQGIK-UHFFFAOYSA-N -1 1 295.697 3.837 20 0 CHADMM Cc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1F ZINC000417541137 1120455428 /nfs/dbraw/zinc/45/54/28/1120455428.db2.gz YCVXCELSBQUYSP-CYBMUJFWSA-N -1 1 293.363 3.501 20 0 CHADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000673395058 1120466402 /nfs/dbraw/zinc/46/64/02/1120466402.db2.gz VJQVZHWEWHINHG-YPMHNXCESA-N -1 1 293.382 3.818 20 0 CHADMM CCCN(CCC)C(=O)c1ccc2ccccc2c1[O-] ZINC000019837746 1120529723 /nfs/dbraw/zinc/52/97/23/1120529723.db2.gz CIOMFUCPBAQACI-UHFFFAOYSA-N -1 1 271.360 3.808 20 0 CHADMM Cc1oc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000087200191 1120561216 /nfs/dbraw/zinc/56/12/16/1120561216.db2.gz ZJJHZPDRWUVVIF-UHFFFAOYSA-N -1 1 279.723 3.816 20 0 CHADMM C[C@@H](c1ccco1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000123956738 1120740032 /nfs/dbraw/zinc/74/00/32/1120740032.db2.gz PWJWOQLJBMKTAO-LBPRGKRZSA-N -1 1 295.338 3.972 20 0 CHADMM CCN(C(=O)c1ncc2ccccc2c1[O-])C1CC(C)(C)C1 ZINC000616302729 1120751289 /nfs/dbraw/zinc/75/12/89/1120751289.db2.gz JIGQKVMGGRBUOQ-UHFFFAOYSA-N -1 1 298.386 3.591 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C2CCCCC2)CC1 ZINC000909370798 1120793200 /nfs/dbraw/zinc/79/32/00/1120793200.db2.gz DBAZTZLKEODVKJ-UHFFFAOYSA-N -1 1 295.329 3.969 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CCCC2)CC1 ZINC000062959694 1120816685 /nfs/dbraw/zinc/81/66/85/1120816685.db2.gz TUCZPRJNMHJVIY-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)s1 ZINC000048653189 1120836848 /nfs/dbraw/zinc/83/68/48/1120836848.db2.gz QHSHAYYURMLZJI-UHFFFAOYSA-N -1 1 299.392 3.559 20 0 CHADMM COc1c(F)cc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001211680591 1120855981 /nfs/dbraw/zinc/85/59/81/1120855981.db2.gz GTDPWDWPJNTRRF-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1ccc2nc(-c3coc(C4CCC4)n3)[n-]c(=O)c2c1 ZINC000630385098 1128955897 /nfs/dbraw/zinc/95/58/97/1128955897.db2.gz LMMNAONPNHTLQP-UHFFFAOYSA-N -1 1 281.315 3.566 20 0 CHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000630451268 1128958639 /nfs/dbraw/zinc/95/86/39/1128958639.db2.gz XMPUNBKTMCYWNT-CQSZACIVSA-N -1 1 293.363 3.501 20 0 CHADMM Cc1ccc(F)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174888410 1121063591 /nfs/dbraw/zinc/06/35/91/1121063591.db2.gz YNOGVRUMSIMJFF-UHFFFAOYSA-N -1 1 283.306 3.769 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1F ZINC001175022940 1121138767 /nfs/dbraw/zinc/13/87/67/1121138767.db2.gz KLCGYDTWTCRWFI-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCOc1cc(F)c([N-]c2noc(C(C)(C)C)n2)cc1F ZINC001175057358 1121143746 /nfs/dbraw/zinc/14/37/46/1121143746.db2.gz BIUJEEUIASJQLT-UHFFFAOYSA-N -1 1 297.305 3.788 20 0 CHADMM CCOc1ccc(C)cc1Nc1ccnc(Cl)c1[O-] ZINC001175123029 1121191968 /nfs/dbraw/zinc/19/19/68/1121191968.db2.gz HIYJCJMBFYXOMR-UHFFFAOYSA-N -1 1 278.739 3.891 20 0 CHADMM CC(C)[C@H]1CC[C@H](C(=O)[N-]Oc2ccccc2)CC1 ZINC000773464275 1121196993 /nfs/dbraw/zinc/19/69/93/1121196993.db2.gz AKODESJJFCQGDE-HDJSIYSDSA-N -1 1 261.365 3.559 20 0 CHADMM CC(C)Cc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175296736 1121260679 /nfs/dbraw/zinc/26/06/79/1121260679.db2.gz SLJORGVWTOXGIP-UHFFFAOYSA-N -1 1 281.359 3.512 20 0 CHADMM COc1cc(C(C)=O)ccc1Nc1c(F)ccc([O-])c1F ZINC001175267874 1121269685 /nfs/dbraw/zinc/26/96/85/1121269685.db2.gz BAVWVLXXTICHNJ-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM [O-]c1cc(Nc2ccc3ncccc3c2)cc(F)c1F ZINC001175378962 1121307013 /nfs/dbraw/zinc/30/70/13/1121307013.db2.gz KRCLHMXVOSQDAM-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM CCC(CC)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023100 1128978127 /nfs/dbraw/zinc/97/81/27/1128978127.db2.gz HPCDWJBTKQJVFB-UHFFFAOYSA-N -1 1 252.383 3.649 20 0 CHADMM Cc1nc(S[C@@H](C)C(C)C)[n-]c(=O)c1C1CC1 ZINC000631023220 1128979056 /nfs/dbraw/zinc/97/90/56/1128979056.db2.gz MKEQFGRBNVWILY-VIFPVBQESA-N -1 1 252.383 3.505 20 0 CHADMM C[C@@H](C1CC1)n1nccc1NCc1cccc([O-])c1Cl ZINC000339221833 1121365409 /nfs/dbraw/zinc/36/54/09/1121365409.db2.gz KQJWOANCWXIIAH-JTQLQIEISA-N -1 1 291.782 3.825 20 0 CHADMM CN1CCC=C(Nc2cc(C(F)(F)F)ccc2[S-])C1 ZINC001175576263 1121398074 /nfs/dbraw/zinc/39/80/74/1121398074.db2.gz IUTMHWGLWAFVMC-UHFFFAOYSA-N -1 1 288.338 3.625 20 0 CHADMM CC(C)Sc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001175626784 1121401399 /nfs/dbraw/zinc/40/13/99/1121401399.db2.gz VSCJFWDANVLOJX-UHFFFAOYSA-N -1 1 299.399 3.814 20 0 CHADMM Cc1cc(Cl)ccc1C(=O)Nc1c([O-])cccc1F ZINC000676050913 1121402700 /nfs/dbraw/zinc/40/27/00/1121402700.db2.gz GIUREEGSWKWSEF-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM COc1cc([N-]c2nc3cc(Cl)ccc3o2)c(F)cn1 ZINC001175687239 1121432683 /nfs/dbraw/zinc/43/26/83/1121432683.db2.gz HHACYOSFAACQJR-UHFFFAOYSA-N -1 1 293.685 3.768 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc2ccncc2c1 ZINC001175704721 1121447755 /nfs/dbraw/zinc/44/77/55/1121447755.db2.gz CAMFGBBSSLHZRF-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM Cn1ccc2c1cccc2[N-]c1nnc(C(C)(C)C)o1 ZINC001175863507 1121483466 /nfs/dbraw/zinc/48/34/66/1121483466.db2.gz VDPVNXXHEHPRRC-UHFFFAOYSA-N -1 1 270.336 3.602 20 0 CHADMM Cn1ccc2c1cccc2Nc1ccnc(Cl)c1[O-] ZINC001175865867 1121484686 /nfs/dbraw/zinc/48/46/86/1121484686.db2.gz MYWMEMLFYBTJBJ-UHFFFAOYSA-N -1 1 273.723 3.676 20 0 CHADMM CCc1nc(SCc2cc(C)ccc2F)[n-]c(=O)c1C ZINC000563438973 1121486984 /nfs/dbraw/zinc/48/69/84/1121486984.db2.gz KEBIUPMZWIWKDG-UHFFFAOYSA-N -1 1 292.379 3.793 20 0 CHADMM CCCc1c(C)[n-]n(-c2cccc(Cl)c2C)c1=O ZINC000614188470 1121517104 /nfs/dbraw/zinc/51/71/04/1121517104.db2.gz CTUDCBZOVMFJHC-LLVKDONJSA-N -1 1 264.756 3.787 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1N/C=C/Cc1ccccc1 ZINC001176216520 1121575067 /nfs/dbraw/zinc/57/50/67/1121575067.db2.gz MVXDEBDEDOTPRS-ONNFQVAWSA-N -1 1 293.322 3.667 20 0 CHADMM O=c1ccn(-c2ccc(Nc3cccc(Cl)c3)cc2)[n-]1 ZINC001176222407 1121578745 /nfs/dbraw/zinc/57/87/45/1121578745.db2.gz DEBRYJVDSHWHNC-UHFFFAOYSA-N -1 1 285.734 3.975 20 0 CHADMM O=C1CCc2cc(Nc3c([O-])cc(F)cc3F)ccc21 ZINC001176234030 1121582945 /nfs/dbraw/zinc/58/29/45/1121582945.db2.gz OGVFZCWTLDIXHG-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CCCOc1cccc(F)c1[N-]c1nc(C)ns1 ZINC001211783224 1121585724 /nfs/dbraw/zinc/58/57/24/1121585724.db2.gz BMMOEBBSBIUMME-UHFFFAOYSA-N -1 1 267.329 3.518 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1cncc(C2CC2)c1 ZINC001176283206 1121587756 /nfs/dbraw/zinc/58/77/56/1121587756.db2.gz OQHSWNSNIPNXPP-UHFFFAOYSA-N -1 1 294.310 3.515 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cncc(C2CC2)c1 ZINC001176285407 1121588395 /nfs/dbraw/zinc/58/83/95/1121588395.db2.gz LEASBYBDVCPHMM-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC000773564479 1121593663 /nfs/dbraw/zinc/59/36/63/1121593663.db2.gz FIYRHBYMNKRIQR-VIFPVBQESA-N -1 1 278.254 3.588 20 0 CHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000773576295 1121613806 /nfs/dbraw/zinc/61/38/06/1121613806.db2.gz NPTAUYHIEMXTBW-MRVPVSSYSA-N -1 1 296.244 3.728 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(O)cc(Cl)c2)c1F ZINC001176670790 1121670757 /nfs/dbraw/zinc/67/07/57/1121670757.db2.gz KYCJBVSKANNTPW-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3ncoc3c2)c1F ZINC001176669874 1121671611 /nfs/dbraw/zinc/67/16/11/1121671611.db2.gz NPIBHIXNGLORKM-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM Cc1cn(-c2c(F)cc(F)c([O-])c2F)c2cc(N)ccc12 ZINC001176673042 1121673306 /nfs/dbraw/zinc/67/33/06/1121673306.db2.gz DAHFKPLYKRNGLM-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)c1 ZINC001176663098 1121679095 /nfs/dbraw/zinc/67/90/95/1121679095.db2.gz BRCMFWLFIQZKQM-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(Cl)cc1 ZINC001176724759 1121680218 /nfs/dbraw/zinc/68/02/18/1121680218.db2.gz BEGPRMRWRNJRHP-UHFFFAOYSA-N -1 1 255.104 3.838 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(Cl)cc1 ZINC001176725979 1121681108 /nfs/dbraw/zinc/68/11/08/1121681108.db2.gz NVGDTUUUQMQBBV-UHFFFAOYSA-N -1 1 287.702 3.896 20 0 CHADMM CC1(C)CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993146 1121704767 /nfs/dbraw/zinc/70/47/67/1121704767.db2.gz CSGMWOLCUWRYQK-LBPRGKRZSA-N -1 1 295.810 3.878 20 0 CHADMM CC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249962305 1121971515 /nfs/dbraw/zinc/97/15/15/1121971515.db2.gz JURITFSKAURASF-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM COc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249965045 1121982809 /nfs/dbraw/zinc/98/28/09/1121982809.db2.gz SFYMKRLCXHXSQK-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@H](Cc1ccccc1Cl)C(=O)[N-]Oc1ccccc1 ZINC000774276892 1122148916 /nfs/dbraw/zinc/14/89/16/1122148916.db2.gz WBRCJENKFWQUCN-GFCCVEGCSA-N -1 1 289.762 3.629 20 0 CHADMM CC[C@H](CC(=O)Nc1ccc(F)cc1[O-])C(C)(C)C ZINC001183054629 1122203094 /nfs/dbraw/zinc/20/30/94/1122203094.db2.gz QMBCUQNFCMIBGQ-SNVBAGLBSA-N -1 1 267.344 3.932 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000319701190 1122229059 /nfs/dbraw/zinc/22/90/59/1122229059.db2.gz IJCCRWYZIFNXOE-GASCZTMLSA-N -1 1 293.366 3.584 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC(C)(C)C1 ZINC001225678869 1122255852 /nfs/dbraw/zinc/25/58/52/1122255852.db2.gz LSIZPIHMJGZMGU-GFCCVEGCSA-N -1 1 278.348 3.648 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001185254883 1122329500 /nfs/dbraw/zinc/32/95/00/1122329500.db2.gz DEVBXJFCTAPORH-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(NCc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC001185825699 1122361913 /nfs/dbraw/zinc/36/19/13/1122361913.db2.gz RWFFCXKSMVWGOA-UHFFFAOYSA-N -1 1 294.713 3.506 20 0 CHADMM Cc1cccc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228172 1122374081 /nfs/dbraw/zinc/37/40/81/1122374081.db2.gz OPDCLDNBKKSEGY-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM O=C1OCc2c1cccc2Nc1c(F)ccc([O-])c1Cl ZINC001250232889 1122378434 /nfs/dbraw/zinc/37/84/34/1122378434.db2.gz XXKKWIQKLIAQHA-UHFFFAOYSA-N -1 1 293.681 3.599 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])Nc1cccc(Cl)c1F ZINC001188408843 1122464494 /nfs/dbraw/zinc/46/44/94/1122464494.db2.gz ABFJIDFRZPCJLB-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1cccc(Cl)c1F)Nc1c([O-])cccc1F ZINC001188404076 1122464950 /nfs/dbraw/zinc/46/49/50/1122464950.db2.gz MVSUHZNSRVLMBA-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM C[C@@H]1[C@H](C(=O)Nc2ccc(F)cc2[O-])[C@H]1c1ccccc1 ZINC000435799904 1122489951 /nfs/dbraw/zinc/48/99/51/1122489951.db2.gz RHJHLKXYBVDQOV-JQAFLVLXSA-N -1 1 285.318 3.520 20 0 CHADMM CCc1cc(=O)[n-]c(SCCCc2ccsc2)n1 ZINC000436210134 1122523249 /nfs/dbraw/zinc/52/32/49/1122523249.db2.gz YSNKTDHRBGOBEU-UHFFFAOYSA-N -1 1 280.418 3.531 20 0 CHADMM CC(C)=CCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001190212035 1122529309 /nfs/dbraw/zinc/52/93/09/1122529309.db2.gz YDSUQVDBHLLTMB-UHFFFAOYSA-N -1 1 272.373 3.908 20 0 CHADMM CCN(C(=O)c1cc2ccccc2cc1[O-])C1CCC1 ZINC000436539434 1122561188 /nfs/dbraw/zinc/56/11/88/1122561188.db2.gz TZWAMHJDIQIWGJ-UHFFFAOYSA-N -1 1 269.344 3.560 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000436570212 1122562848 /nfs/dbraw/zinc/56/28/48/1122562848.db2.gz NTSGTBJPTQTWLW-SMDDNHRTSA-N -1 1 279.355 3.572 20 0 CHADMM CC1=C(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436595854 1122563399 /nfs/dbraw/zinc/56/33/99/1122563399.db2.gz NEFWKKUIPNAYHD-UHFFFAOYSA-N -1 1 299.292 3.593 20 0 CHADMM CC(C)CN(CC(C)(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000436583838 1122564385 /nfs/dbraw/zinc/56/43/85/1122564385.db2.gz LHPSKFSMFGWRJM-UHFFFAOYSA-N -1 1 281.371 3.676 20 0 CHADMM CC[C@H](C)n1ncc(NC(=O)c2ccccc2[O-])c1C1CC1 ZINC000436603992 1122565860 /nfs/dbraw/zinc/56/58/60/1122565860.db2.gz NJLFVBQNWFOCCD-NSHDSACASA-N -1 1 299.374 3.689 20 0 CHADMM C[C@@H](c1cccs1)c1noc(-c2ccc([O-])cc2F)n1 ZINC000436692585 1122572703 /nfs/dbraw/zinc/57/27/03/1122572703.db2.gz XJNHPDJVTPWBFQ-QMMMGPOBSA-N -1 1 290.319 3.795 20 0 CHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1[O-] ZINC000436723106 1122574800 /nfs/dbraw/zinc/57/48/00/1122574800.db2.gz PMZJLENFSWLTNT-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC12CCC2 ZINC000436720450 1122575122 /nfs/dbraw/zinc/57/51/22/1122575122.db2.gz JXBUNHZSIYSDTM-LLVKDONJSA-N -1 1 293.794 3.698 20 0 CHADMM COc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436756450 1122578705 /nfs/dbraw/zinc/57/87/05/1122578705.db2.gz RBZFXNFGZWAJAJ-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436755834 1122579734 /nfs/dbraw/zinc/57/97/34/1122579734.db2.gz AMWATPOBXWVXDZ-MRXNPFEDSA-N -1 1 299.345 3.817 20 0 CHADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000436830857 1122585998 /nfs/dbraw/zinc/58/59/98/1122585998.db2.gz RPJQLHCGAMKKPF-LBPRGKRZSA-N -1 1 297.276 3.616 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c([O-])c1 ZINC000436844445 1122587749 /nfs/dbraw/zinc/58/77/49/1122587749.db2.gz NJJISIAPGPWGTC-UHFFFAOYSA-N -1 1 295.342 3.644 20 0 CHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC(C)(C)C1 ZINC000436840861 1122588266 /nfs/dbraw/zinc/58/82/66/1122588266.db2.gz XKCUSFMFKNPXSA-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM CC(C)N(CC1CCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436887492 1122592190 /nfs/dbraw/zinc/59/21/90/1122592190.db2.gz KLIMIUAKZPFBRL-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436920828 1122594921 /nfs/dbraw/zinc/59/49/21/1122594921.db2.gz QWJCVMRZNKYQCW-NSHDSACASA-N -1 1 295.810 3.944 20 0 CHADMM Cc1cc(NC(=O)Nc2cc(F)cc(F)c2[O-])ccc1F ZINC001192393501 1122644414 /nfs/dbraw/zinc/64/44/14/1122644414.db2.gz LIEORQYHVIXWQK-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cc(NC(=O)Nc2cc(F)c(F)cc2[O-])ccc1F ZINC001192391820 1122644493 /nfs/dbraw/zinc/64/44/93/1122644493.db2.gz PYOFQLIWEKYSFG-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cc(NC(=O)Nc2cc(F)c([O-])cc2F)ccc1F ZINC001192392880 1122645079 /nfs/dbraw/zinc/64/50/79/1122645079.db2.gz AXQPSSFUVJZQBB-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)OC1CCCC1 ZINC001193562863 1122697930 /nfs/dbraw/zinc/69/79/30/1122697930.db2.gz OJRZPSJNJJTDIC-UHFFFAOYSA-N -1 1 255.701 3.537 20 0 CHADMM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1csc(C)c1 ZINC000843735873 1122704450 /nfs/dbraw/zinc/70/44/50/1122704450.db2.gz WSNMOZCMVMGBOP-QMMMGPOBSA-N -1 1 283.290 3.524 20 0 CHADMM CC(C)COC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193845317 1122724873 /nfs/dbraw/zinc/72/48/73/1122724873.db2.gz HJGFTXQAMIPCAR-UHFFFAOYSA-N -1 1 277.242 3.616 20 0 CHADMM CCC(CC)COC(=O)Nc1ccc([O-])c(F)c1F ZINC001194706509 1122795740 /nfs/dbraw/zinc/79/57/40/1122795740.db2.gz HIVZGZFISRFAAN-UHFFFAOYSA-N -1 1 273.279 3.655 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(Cl)c2)o1 ZINC000426764268 1122912572 /nfs/dbraw/zinc/91/25/72/1122912572.db2.gz HPHFRBUSIMXFIH-ZDUSSCGKSA-N -1 1 293.750 3.547 20 0 CHADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000003078200 1122918522 /nfs/dbraw/zinc/91/85/22/1122918522.db2.gz YNYZTQKYQRZJGQ-UHFFFAOYSA-N -1 1 261.708 3.606 20 0 CHADMM [O-]c1cc(F)ccc1NC(=S)Nc1ccc(Cl)cc1 ZINC001197328257 1122954294 /nfs/dbraw/zinc/95/42/94/1122954294.db2.gz OIJUUIRRZZCZNL-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001197928055 1122974001 /nfs/dbraw/zinc/97/40/01/1122974001.db2.gz MXGJODUJEZBRTQ-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cnc(C(=O)N2CCCCC[C@@H]2CC(C)C)c([O-])c1 ZINC000427464762 1122981627 /nfs/dbraw/zinc/98/16/27/1122981627.db2.gz XMTIKZPILWGZTG-CQSZACIVSA-N -1 1 290.407 3.527 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198816376 1123013167 /nfs/dbraw/zinc/01/31/67/1123013167.db2.gz GUIYOIRNUITDKS-UHFFFAOYSA-N -1 1 287.340 3.542 20 0 CHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000626424964 1123030798 /nfs/dbraw/zinc/03/07/98/1123030798.db2.gz DYQXSGGFDRMCKD-UHFFFAOYSA-N -1 1 282.246 3.643 20 0 CHADMM O=C(/C=C/C1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000843830768 1123048773 /nfs/dbraw/zinc/04/87/73/1123048773.db2.gz LQELBENXVGAFEA-VMPITWQZSA-N -1 1 265.740 3.731 20 0 CHADMM Cc1cc(C)cc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000334480649 1123051760 /nfs/dbraw/zinc/05/17/60/1123051760.db2.gz UMHXJCQSWGEJRP-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM [O-]c1cc(F)ccc1NC(=S)Nc1cccc(Cl)c1 ZINC001201103714 1123073671 /nfs/dbraw/zinc/07/36/71/1123073671.db2.gz GJLUOFFEZGFDHY-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1csc2ccccc12 ZINC001201844565 1123155271 /nfs/dbraw/zinc/15/52/71/1123155271.db2.gz AUUMXPBJZLBCAW-UHFFFAOYSA-N -1 1 288.328 3.810 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1cc(F)c(F)cc1[O-] ZINC001202063394 1123170991 /nfs/dbraw/zinc/17/09/91/1123170991.db2.gz XYGFOSKLTWSXGZ-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1c([O-])cccc1F ZINC001202063859 1123171073 /nfs/dbraw/zinc/17/10/73/1123171073.db2.gz XFAYYLFNJONGTO-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1onc(C2CC2)c1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000334518673 1123204640 /nfs/dbraw/zinc/20/46/40/1123204640.db2.gz KMOJGCSCBPEVQR-UHFFFAOYSA-N -1 1 296.248 3.530 20 0 CHADMM Cc1cnc(C(=O)N2CCCC[C@@H]2CCC(C)C)c([O-])c1 ZINC000427765770 1123248387 /nfs/dbraw/zinc/24/83/87/1123248387.db2.gz NETOHFFBGJHDPH-CQSZACIVSA-N -1 1 290.407 3.527 20 0 CHADMM CCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000335016237 1123291018 /nfs/dbraw/zinc/29/10/18/1123291018.db2.gz BMHLHCCCFVNFEO-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1C1CC1 ZINC000634585636 1129118996 /nfs/dbraw/zinc/11/89/96/1129118996.db2.gz MQAUUJUXMBZSIQ-AWEZNQCLSA-N -1 1 297.383 3.559 20 0 CHADMM CCCc1[n-]n(-c2cccc3ncccc32)c(=O)c1CC ZINC000634591236 1129119369 /nfs/dbraw/zinc/11/93/69/1129119369.db2.gz WSUFWXHZKJGNDK-GFCCVEGCSA-N -1 1 281.359 3.764 20 0 CHADMM C[C@@H]1CCc2[n-]n(-c3nc(-c4ccccc4)cs3)c(=O)c21 ZINC000634585438 1129119401 /nfs/dbraw/zinc/11/94/01/1129119401.db2.gz GURWDRRZESFDHU-QMTHXVAHSA-N -1 1 297.383 3.559 20 0 CHADMM CCCCc1cc(=O)n(-c2ccc(SC)cc2)[n-]1 ZINC000634593883 1129120264 /nfs/dbraw/zinc/12/02/64/1129120264.db2.gz CSESWSJQDUCTKE-UHFFFAOYSA-N -1 1 262.378 3.691 20 0 CHADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885675828 1123480399 /nfs/dbraw/zinc/48/03/99/1123480399.db2.gz CAVOSPFBZPQPAA-SFYZADRCSA-N -1 1 271.719 3.559 20 0 CHADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCCCCC1 ZINC000854843784 1123497681 /nfs/dbraw/zinc/49/76/81/1123497681.db2.gz ZGYZMFFJCFJZTF-UHFFFAOYSA-N -1 1 298.386 3.737 20 0 CHADMM CN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000017334347 1123596887 /nfs/dbraw/zinc/59/68/87/1123596887.db2.gz XVQIITNOQNURRB-UHFFFAOYSA-N -1 1 291.350 3.818 20 0 CHADMM O=C(NCCc1cccs1)c1ccc2ccccc2c1[O-] ZINC000017909694 1123598449 /nfs/dbraw/zinc/59/84/49/1123598449.db2.gz QSDFGMPIGXUJLU-UHFFFAOYSA-N -1 1 297.379 3.579 20 0 CHADMM CC(C)c1nn(C)cc1-c1cc(Cl)c(F)cc1[O-] ZINC000857752406 1123618549 /nfs/dbraw/zinc/61/85/49/1123618549.db2.gz LHAKNPHCOPRWQI-UHFFFAOYSA-N -1 1 268.719 3.709 20 0 CHADMM O=c1nc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(Cl)[n-]1 ZINC000858328946 1123646228 /nfs/dbraw/zinc/64/62/28/1123646228.db2.gz GCTHVCJHTSLWKS-HBNTYKKESA-N -1 1 281.787 3.606 20 0 CHADMM O=c1nc(NCC2CCCCCCC2)cc(Cl)[n-]1 ZINC000858358489 1123647877 /nfs/dbraw/zinc/64/78/77/1123647877.db2.gz PQTOAAFOYZANGZ-UHFFFAOYSA-N -1 1 269.776 3.608 20 0 CHADMM C[C@@H](CCC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858411385 1123651817 /nfs/dbraw/zinc/65/18/17/1123651817.db2.gz IWSXAXQJSUZJOV-JTQLQIEISA-N -1 1 283.803 3.997 20 0 CHADMM CCN(Cc1cccs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042273549 1123781669 /nfs/dbraw/zinc/78/16/69/1123781669.db2.gz BQRUTHAFJKNLPI-UHFFFAOYSA-N -1 1 295.791 3.769 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001202507978 1123838503 /nfs/dbraw/zinc/83/85/03/1123838503.db2.gz LDJAUPFYMUNBFU-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476661 1123870922 /nfs/dbraw/zinc/87/09/22/1123870922.db2.gz LGIGXUVLNKIJAR-VAWYXSNFSA-N -1 1 299.374 3.509 20 0 CHADMM C/C(=C/C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(C)(C)C ZINC000863477037 1123871081 /nfs/dbraw/zinc/87/10/81/1123871081.db2.gz SYRIRFSLDGHDEF-QXMHVHEDSA-N -1 1 299.374 3.509 20 0 CHADMM Cc1sc(C)c2c1[n-]c([C@H]1CCC(F)(F)C1)nc2=O ZINC000864355441 1123924648 /nfs/dbraw/zinc/92/46/48/1123924648.db2.gz MOWLQKTVPBXQND-QMMMGPOBSA-N -1 1 284.331 3.917 20 0 CHADMM CC[C@H](OC1CCCCC1)C(=O)Nc1c([O-])cccc1F ZINC000665783938 1124010538 /nfs/dbraw/zinc/01/05/38/1124010538.db2.gz GJWRGVOTPUYZPO-AWEZNQCLSA-N -1 1 295.354 3.598 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445456075 1124084446 /nfs/dbraw/zinc/08/44/46/1124084446.db2.gz RXXJGNJSUKYJPA-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM CCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)n1 ZINC000445459434 1124085247 /nfs/dbraw/zinc/08/52/47/1124085247.db2.gz AXVOQDBLLZRQKR-UHFFFAOYSA-N -1 1 299.305 3.514 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc4cc[nH]c4c3)n2)c(F)c1 ZINC000445461573 1124085509 /nfs/dbraw/zinc/08/55/09/1124085509.db2.gz YEKFBMLDASZNIW-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM CC(C)(C)/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457386 1124085822 /nfs/dbraw/zinc/08/58/22/1124085822.db2.gz NACHZVSDRZQQLF-SREVYHEPSA-N -1 1 262.284 3.641 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)s3)n2)cc1F ZINC000445484297 1124086698 /nfs/dbraw/zinc/08/66/98/1124086698.db2.gz YSQOTVALCYUOKI-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM [O-]c1cccc(CN2CCc3ccc(F)cc3C2)c1Cl ZINC000508561005 1124112473 /nfs/dbraw/zinc/11/24/73/1124112473.db2.gz OARAAGSODXKOFZ-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM C[C@@H]1CCc2[n-]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946760 1124654573 /nfs/dbraw/zinc/65/45/73/1124654573.db2.gz IBCRXQDWGYRZLM-BZNIZROVSA-N -1 1 264.328 3.589 20 0 CHADMM COc1cnc(C=Cc2ccc3ccccc3c2)[n-]c1=O ZINC000821007148 1131317284 /nfs/dbraw/zinc/31/72/84/1131317284.db2.gz DNWXSXVLXRKOGU-VQHVLOKHSA-N -1 1 278.311 3.514 20 0 CHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1F ZINC000530179023 1125130169 /nfs/dbraw/zinc/13/01/69/1125130169.db2.gz KQVGKKWNVUQUMD-PEGIJTEDSA-N -1 1 299.773 3.553 20 0 CHADMM Cc1ccc2cc(C(=O)Nc3ccc(F)cc3[O-])[nH]c2c1 ZINC000532266760 1125245308 /nfs/dbraw/zinc/24/53/08/1125245308.db2.gz QTBINLUDFPCZSW-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC001137190966 1125415023 /nfs/dbraw/zinc/41/50/23/1125415023.db2.gz AGCXYTWFRIOZIO-ZYHUDNBSSA-N -1 1 295.810 3.990 20 0 CHADMM c1ccc(-c2ccccc2-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001239507497 1131353939 /nfs/dbraw/zinc/35/39/39/1131353939.db2.gz VKPQZUFXCHTFRK-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM c1ccc(-c2ccccc2-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001239507497 1131353944 /nfs/dbraw/zinc/35/39/44/1131353944.db2.gz VKPQZUFXCHTFRK-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM O=c1cc(C2CC2)nc(SCc2cccc(F)c2F)[n-]1 ZINC000299836089 1129230700 /nfs/dbraw/zinc/23/07/00/1129230700.db2.gz GDQKGVCSBBIFKK-UHFFFAOYSA-N -1 1 294.326 3.630 20 0 CHADMM CC(C)=Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001240641002 1129298684 /nfs/dbraw/zinc/29/86/84/1129298684.db2.gz WKJYYKMZWPNUAW-JTQLQIEISA-N -1 1 271.282 3.849 20 0 CHADMM Cc1sc2ncnc(-c3cc(F)ccc3[O-])c2c1C ZINC001240693692 1129320329 /nfs/dbraw/zinc/32/03/29/1129320329.db2.gz VPJVLGXMIDCVPY-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM O=C(/C=C/C=C\c1ccccc1)c1ccc([O-])cc1 ZINC000038143123 1129346173 /nfs/dbraw/zinc/34/61/73/1129346173.db2.gz WXSQITDFOJPSSK-MVTUOISNSA-N -1 1 250.297 3.845 20 0 CHADMM CC(C)c1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000092605395 1129399816 /nfs/dbraw/zinc/39/98/16/1129399816.db2.gz PZSFLONBFRYYBB-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3[nH]c(=S)[nH]c3c2)c(F)c1 ZINC001241122621 1129459986 /nfs/dbraw/zinc/45/99/86/1129459986.db2.gz IFOIAZGSNWXZGN-UHFFFAOYSA-N -1 1 278.283 3.502 20 0 CHADMM [O-]c1cccc(CNc2cccc3c2CCO3)c1Cl ZINC000645177793 1129490084 /nfs/dbraw/zinc/49/00/84/1129490084.db2.gz AAWWIXLYAVMZAR-UHFFFAOYSA-N -1 1 275.735 3.593 20 0 CHADMM CCCOc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001137567549 1131378717 /nfs/dbraw/zinc/37/87/17/1131378717.db2.gz FILAIYRUOVVNCR-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM [O-]c1ccc(F)c(-c2cncc(-c3cccs3)n2)c1F ZINC001241291279 1129508357 /nfs/dbraw/zinc/50/83/57/1129508357.db2.gz LJNJVWGMNUCUFH-UHFFFAOYSA-N -1 1 290.294 3.856 20 0 CHADMM Cc1ccc2ncnc(-c3c(F)ccc([O-])c3F)c2c1 ZINC001241291533 1129508666 /nfs/dbraw/zinc/50/86/66/1129508666.db2.gz OSZPLVJFGXXBON-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CCC[C@H](C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744898714 1129589234 /nfs/dbraw/zinc/58/92/34/1129589234.db2.gz NHMHRVLUYPBTGQ-LBPRGKRZSA-N -1 1 292.375 3.507 20 0 CHADMM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137550226 1129605396 /nfs/dbraw/zinc/60/53/96/1129605396.db2.gz FMGXOCKUPSGLTH-ZBEGNZNMSA-N -1 1 299.370 3.560 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@H]1C1CCC1 ZINC000648706005 1129623326 /nfs/dbraw/zinc/62/33/26/1129623326.db2.gz WYADLXPGBXAREH-AWEZNQCLSA-N -1 1 293.794 3.840 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CCCC3)n2)cc1F ZINC000650590674 1129714764 /nfs/dbraw/zinc/71/47/64/1129714764.db2.gz FGLZGLDWNXUABV-NWDGAFQWSA-N -1 1 288.322 3.875 20 0 CHADMM COC(=O)c1cccc(-c2cccc(Cl)c2[O-])c1OC ZINC001242366485 1129797909 /nfs/dbraw/zinc/79/79/09/1129797909.db2.gz NEHUUNOQPXBAKU-UHFFFAOYSA-N -1 1 292.718 3.508 20 0 CHADMM [O-]c1c(Cl)cccc1-c1ccc2ccnnc2c1 ZINC001242367844 1129799027 /nfs/dbraw/zinc/79/90/27/1129799027.db2.gz UTUZHQHMPBHIHA-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM C/C(=C/C(=O)Nc1ccc(F)cc1[O-])c1cccc(F)c1 ZINC000768259850 1129848508 /nfs/dbraw/zinc/84/85/08/1129848508.db2.gz VZLSWPVWBPTOTJ-YFHOEESVSA-N -1 1 289.281 3.712 20 0 CHADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1c([O-])cccc1Cl ZINC000769668718 1129920893 /nfs/dbraw/zinc/92/08/93/1129920893.db2.gz SSMMNZNIBFIDET-JQWIXIFHSA-N -1 1 281.783 3.696 20 0 CHADMM CCCCSCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771221446 1129975057 /nfs/dbraw/zinc/97/50/57/1129975057.db2.gz HMCRQTNPTWFBRG-UHFFFAOYSA-N -1 1 282.340 3.615 20 0 CHADMM CCCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771222029 1129975066 /nfs/dbraw/zinc/97/50/66/1129975066.db2.gz NJDYBJQISVRPNN-UHFFFAOYSA-N -1 1 264.300 3.704 20 0 CHADMM [O-]c1cccc(-c2nccc3ccncc32)c1Cl ZINC001242798747 1130052630 /nfs/dbraw/zinc/05/26/30/1130052630.db2.gz XYRHSTQABUVALX-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM [O-]c1cccc(-c2ccc3nccnc3c2)c1Cl ZINC001242799576 1130050716 /nfs/dbraw/zinc/05/07/16/1130050716.db2.gz SGDSJJHYVGCVPO-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM [O-]c1cccc(-c2cc(OCC3CC3)ccn2)c1Cl ZINC001242799425 1130051216 /nfs/dbraw/zinc/05/12/16/1130051216.db2.gz KFWBMHVMEFMFAU-UHFFFAOYSA-N -1 1 275.735 3.896 20 0 CHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2occc2s1 ZINC000790051735 1130288784 /nfs/dbraw/zinc/28/87/84/1130288784.db2.gz SOFRZCUQGAWZAA-UHFFFAOYSA-N -1 1 294.719 3.501 20 0 CHADMM CCC[C@H](C(=O)Nc1c([O-])cccc1F)C(C)C ZINC000677891507 1130337193 /nfs/dbraw/zinc/33/71/93/1130337193.db2.gz MPTOXPFTPOYXNL-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM Cc1nc2ccc(-c3cccc(C=CC(=O)[O-])c3)cc2[nH]1 ZINC001240548781 1130351076 /nfs/dbraw/zinc/35/10/76/1130351076.db2.gz RKSRAIYTHWWWSZ-VMPITWQZSA-N -1 1 278.311 3.636 20 0 CHADMM Nc1nc2ccc(-c3ccc([O-])c(F)c3F)cc2s1 ZINC001243342901 1130386985 /nfs/dbraw/zinc/38/69/85/1130386985.db2.gz OQPBHYXWPYVOCY-UHFFFAOYSA-N -1 1 278.283 3.529 20 0 CHADMM COc1cccc2ccc(-c3cc(F)ccc3[O-])nc21 ZINC001240693434 1130421374 /nfs/dbraw/zinc/42/13/74/1130421374.db2.gz RHVVNHYJYFQMEX-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM COc1ccc(C(F)(F)F)c(-c2cc(F)ccc2[O-])n1 ZINC001240693256 1130421529 /nfs/dbraw/zinc/42/15/29/1130421529.db2.gz JOWFFAJYJAHGNR-UHFFFAOYSA-N -1 1 287.212 3.621 20 0 CHADMM CCc1cc2c(ccnc2-c2cc(F)ccc2[O-])o1 ZINC001240696228 1130422163 /nfs/dbraw/zinc/42/21/63/1130422163.db2.gz IPXCKYCYWXZUTD-UHFFFAOYSA-N -1 1 257.264 3.902 20 0 CHADMM Cc1nc2ccc(F)cc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240782685 1130468979 /nfs/dbraw/zinc/46/89/79/1130468979.db2.gz DDOHXXXWSHLRJY-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM [O-]c1ccc(-c2cncc(OCC3CCCC3)n2)cc1F ZINC001240786119 1130469739 /nfs/dbraw/zinc/46/97/39/1130469739.db2.gz MLDMBZSMMXAXPQ-UHFFFAOYSA-N -1 1 288.322 3.557 20 0 CHADMM CCOc1c(F)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243505084 1130515511 /nfs/dbraw/zinc/51/55/11/1130515511.db2.gz BMTCCGBLARXOBV-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM CCOc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506175 1130518609 /nfs/dbraw/zinc/51/86/09/1130518609.db2.gz ZBQRDWLQIACGRX-UHFFFAOYSA-N -1 1 250.244 3.736 20 0 CHADMM 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CHADMM [O-]c1c(Cl)nccc1Nc1ccc2occc2c1 ZINC001174416232 1132855200 /nfs/dbraw/zinc/85/52/00/1132855200.db2.gz HOQXJICMSDDTRA-UHFFFAOYSA-N -1 1 260.680 3.930 20 0 CHADMM c1coc(-c2nnc([N-]c3ccc4occc4c3)o2)c1 ZINC001174416340 1132855496 /nfs/dbraw/zinc/85/54/96/1132855496.db2.gz IJEJISYRCQAIFB-UHFFFAOYSA-N -1 1 267.244 3.819 20 0 CHADMM [O-]c1cc(Nc2c[nH]c3ncc(F)cc23)c(F)cc1Cl ZINC001159529216 1132858908 /nfs/dbraw/zinc/85/89/08/1132858908.db2.gz HCRQKNWRNHDLRF-UHFFFAOYSA-N -1 1 295.676 3.944 20 0 CHADMM [O-]c1c(F)cc(Nc2c(Cl)cccc2CO)cc1F ZINC001159566888 1132866128 /nfs/dbraw/zinc/86/61/28/1132866128.db2.gz RBXRFBTXAKPGAP-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174508534 1132905549 /nfs/dbraw/zinc/90/55/49/1132905549.db2.gz PGZNQLANTGDQQS-UHFFFAOYSA-N -1 1 287.269 3.804 20 0 CHADMM O=C([O-])c1ccc(Nc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC001160224541 1132949959 /nfs/dbraw/zinc/94/99/59/1132949959.db2.gz SEJSEXCTLOVCRB-UHFFFAOYSA-N -1 1 287.706 3.658 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293.269 3.625 20 0 CHADMM Cc1c(Cl)ccc(N)c1Nc1cc(F)c([O-])cc1F ZINC001215574477 1134645571 /nfs/dbraw/zinc/64/55/71/1134645571.db2.gz VHDGIYHTRNMZMF-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM COc1c(Nc2cc(F)c([O-])cc2F)ccc(C)c1F ZINC001215601528 1134651419 /nfs/dbraw/zinc/65/14/19/1134651419.db2.gz JYDYOCZVUIZLLL-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM COc1cc(F)c(Nc2cc(F)c([O-])cc2F)cc1OC ZINC001215721169 1134665799 /nfs/dbraw/zinc/66/57/99/1134665799.db2.gz BUZIEQCRVPHOFY-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM CC(C)Oc1c(F)ccc([N-]c2nonc2C2CC2)c1F ZINC001215728467 1134667779 /nfs/dbraw/zinc/66/77/79/1134667779.db2.gz OPHLOBALGLELQF-UHFFFAOYSA-N -1 1 295.289 3.756 20 0 CHADMM Cc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1C ZINC001215769904 1134682312 /nfs/dbraw/zinc/68/23/12/1134682312.db2.gz SXIUWPAVECWCPF-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM CC(C)Oc1cnc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001215782114 1134684518 /nfs/dbraw/zinc/68/45/18/1134684518.db2.gz OLGCVNPDYKMTMJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/26/39/76/1135263976.db2.gz QBSYEHWIBXUXJL-UHFFFAOYSA-N -1 1 292.338 3.655 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H](C)CCC(C)C ZINC001225616000 1135595883 /nfs/dbraw/zinc/59/58/83/1135595883.db2.gz DNJLFZTYTLLLNO-LLVKDONJSA-N -1 1 250.338 3.798 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCc2ccccc21 ZINC001225617251 1135596746 /nfs/dbraw/zinc/59/67/46/1135596746.db2.gz WWXGPLXFIINUQC-INIZCTEOSA-N -1 1 268.312 3.661 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCc2c1cccc2C ZINC001225617197 1135597175 /nfs/dbraw/zinc/59/71/75/1135597175.db2.gz VOYBSTYBSXNELY-QGZVFWFLSA-N -1 1 282.339 3.970 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccc(F)c1 ZINC001225616710 1135597508 /nfs/dbraw/zinc/59/75/08/1135597508.db2.gz NSXYBQYSULPHCR-NSHDSACASA-N -1 1 274.291 3.874 20 0 CHADMM CCC[C@H](C)[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225675368 1135606890 /nfs/dbraw/zinc/60/68/90/1135606890.db2.gz UGTWVJGXFNUSAI-IINYFYTJSA-N -1 1 280.364 3.894 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccc(OC2CCC2)cc1 ZINC001225809983 1135625579 /nfs/dbraw/zinc/62/55/79/1135625579.db2.gz JORMHQNCYNWKLR-UHFFFAOYSA-N -1 1 268.312 3.555 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)C3CCCC3)c12 ZINC001226484785 1135703159 /nfs/dbraw/zinc/70/31/59/1135703159.db2.gz GWCKWGRPGXWRAD-NSHDSACASA-N -1 1 288.343 3.765 20 0 CHADMM CCCCC[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227168263 1135793548 /nfs/dbraw/zinc/79/35/48/1135793548.db2.gz HKSQQVIXOQIKEN-AWEZNQCLSA-N -1 1 294.391 3.959 20 0 CHADMM CC/C=C(\C)[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172238 1135794640 /nfs/dbraw/zinc/79/46/40/1135794640.db2.gz NFCQWFCVXHVKHG-MZTACXPWSA-N -1 1 292.375 3.735 20 0 CHADMM C[C@H]1COCC[C@@H]1Oc1cc(Cl)c([O-])cc1Cl ZINC001227645547 1135852311 /nfs/dbraw/zinc/85/23/11/1135852311.db2.gz JRGUTQDQUHVURT-CPCISQLKSA-N -1 1 277.147 3.503 20 0 CHADMM CC[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227387132 1135828454 /nfs/dbraw/zinc/82/84/54/1135828454.db2.gz UFEBXGCWAAKQJE-NSHDSACASA-N -1 1 282.315 3.574 20 0 CHADMM [O-]c1cc(Cl)c(OC2CCSCC2)cc1Cl ZINC001227640688 1135852414 /nfs/dbraw/zinc/85/24/14/1135852414.db2.gz FXWWTGLSWOVHQO-UHFFFAOYSA-N -1 1 279.188 3.973 20 0 CHADMM C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)c1ncccn1 ZINC001227642458 1135852423 /nfs/dbraw/zinc/85/24/23/1135852423.db2.gz ZLRWCOBHKKCWEO-SSDOTTSWSA-N -1 1 285.130 3.629 20 0 CHADMM Cc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)[nH]n2)o1 ZINC000171415817 335065362 /nfs/dbraw/zinc/06/53/62/335065362.db2.gz PAIPCBAUHPFPRI-UHFFFAOYSA-N -1 1 295.342 3.563 20 0 CHADMM CN(Cc1ncccc1[O-])Cc1c(Cl)cccc1Cl ZINC000575112792 335066845 /nfs/dbraw/zinc/06/68/45/335066845.db2.gz BJUFKBHRBXILFH-UHFFFAOYSA-N -1 1 297.185 3.726 20 0 CHADMM CC[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000005885555 170150470 /nfs/dbraw/zinc/15/04/70/170150470.db2.gz RTRBGTDYUROYLB-JTQLQIEISA-N -1 1 274.389 3.636 20 0 CHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000021022594 171290685 /nfs/dbraw/zinc/29/06/85/171290685.db2.gz GWIGZWNHQUZVCD-JTQLQIEISA-N -1 1 275.735 3.537 20 0 CHADMM O=C(NCc1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000021511522 171310658 /nfs/dbraw/zinc/31/06/58/171310658.db2.gz FPPLWAFLEFSNPN-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM CCCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000022068077 171352152 /nfs/dbraw/zinc/35/21/52/171352152.db2.gz XAMLTFAITPBVFX-UHFFFAOYSA-N -1 1 255.317 3.597 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035175120 172028584 /nfs/dbraw/zinc/02/85/84/172028584.db2.gz KUGCIJYRBCYYJJ-NWDGAFQWSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000035219417 172060725 /nfs/dbraw/zinc/06/07/25/172060725.db2.gz WREGUDQSGZLRPP-RISCZKNCSA-N -1 1 293.794 3.840 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000035685942 172353580 /nfs/dbraw/zinc/35/35/80/172353580.db2.gz IOLSZNPLEMVGSI-UHFFFAOYSA-N -1 1 297.379 3.949 20 0 CHADMM CC(C)(C)Oc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000045190096 175326335 /nfs/dbraw/zinc/32/63/35/175326335.db2.gz BMPOKWQLUQPBRO-UHFFFAOYSA-N -1 1 285.343 3.822 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc[nH]c1C1CCC1 ZINC000336099566 228186997 /nfs/dbraw/zinc/18/69/97/228186997.db2.gz AGDMPVUMBGGXBG-UHFFFAOYSA-N -1 1 290.750 3.894 20 0 CHADMM O=c1[nH]c(-c2cc([O-])cc(Cl)c2)nc2cc(F)ccc12 ZINC000352207532 228199276 /nfs/dbraw/zinc/19/92/76/228199276.db2.gz YZHCDEKEUYKHRY-UHFFFAOYSA-N -1 1 290.681 3.501 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1F ZINC000180464653 260103015 /nfs/dbraw/zinc/10/30/15/260103015.db2.gz LMMNORJGFWNAPZ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CN(CCC1CCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000177138031 261334677 /nfs/dbraw/zinc/33/46/77/261334677.db2.gz FSMJWRJQJKKCRC-UHFFFAOYSA-N -1 1 279.355 3.574 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1C1CCCCC1 ZINC000181156234 261428319 /nfs/dbraw/zinc/42/83/19/261428319.db2.gz QAEPMTFNTKLBJV-INIZCTEOSA-N -1 1 291.366 3.716 20 0 CHADMM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000518783077 262055251 /nfs/dbraw/zinc/05/52/51/262055251.db2.gz YENVLSMTYCAFIO-LSDHHAIUSA-N -1 1 287.384 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ZINC000436511775 330678931 /nfs/dbraw/zinc/67/89/31/330678931.db2.gz JIRPASXEFBYTAE-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436606444 330681322 /nfs/dbraw/zinc/68/13/22/330681322.db2.gz RBDGTPGXFLCORM-RISCZKNCSA-N -1 1 279.355 3.572 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c(F)c1 ZINC000436690890 330682896 /nfs/dbraw/zinc/68/28/96/330682896.db2.gz RHZSAKHRZQEUHP-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cc1F ZINC000436737020 330683869 /nfs/dbraw/zinc/68/38/69/330683869.db2.gz HOHPRFKGKZBVEJ-NEPJUHHUSA-N -1 1 293.382 3.818 20 0 CHADMM CCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)c([O-])c1 ZINC000436801317 330685419 /nfs/dbraw/zinc/68/54/19/330685419.db2.gz AYOXKFLOCNBSKO-LBPRGKRZSA-N -1 1 281.355 3.546 20 0 CHADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436879192 330687485 /nfs/dbraw/zinc/68/74/85/330687485.db2.gz JJUZGLHXIOQCMY-ABAIWWIYSA-N -1 1 279.355 3.620 20 0 CHADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C ZINC000436958758 330689814 /nfs/dbraw/zinc/68/98/14/330689814.db2.gz KGRQBIFXNIRQSF-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM CCc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445477258 330829403 /nfs/dbraw/zinc/82/94/03/330829403.db2.gz BPFGISBVHTYGKQ-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445483581 330829767 /nfs/dbraw/zinc/82/97/67/330829767.db2.gz SOSAAVPKDDONDL-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(Cl)c2)n1 ZINC000195062225 331134506 /nfs/dbraw/zinc/13/45/06/331134506.db2.gz WXFMHDLEUCLCDM-SECBINFHSA-N -1 1 294.807 3.839 20 0 CHADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000456782785 331203565 /nfs/dbraw/zinc/20/35/65/331203565.db2.gz KMMMKBLMUDNJII-UHFFFAOYSA-N -1 1 283.318 3.825 20 0 CHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000187162632 333168401 /nfs/dbraw/zinc/16/84/01/333168401.db2.gz HTSCUHAOOVTANH-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM FC(F)c1nnc([N-]Cc2ccc(-c3ccccc3)o2)o1 ZINC000189290990 333189405 /nfs/dbraw/zinc/18/94/05/333189405.db2.gz QCAVGHLNNQKYAZ-UHFFFAOYSA-N -1 1 291.257 3.879 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1Cl ZINC000228832908 333297659 /nfs/dbraw/zinc/29/76/59/333297659.db2.gz ILKPGRGAOBZHFF-VIFPVBQESA-N -1 1 293.725 3.676 20 0 CHADMM CN1CCN(Cc2cccc([O-])c2Cl)c2ccccc21 ZINC000328271132 333502593 /nfs/dbraw/zinc/50/25/93/333502593.db2.gz WYBNAQAXQWFMKC-UHFFFAOYSA-N -1 1 288.778 3.502 20 0 CHADMM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530004141 333517716 /nfs/dbraw/zinc/51/77/16/333517716.db2.gz BXPRQIURQXGNHN-AWEZNQCLSA-N -1 1 295.354 3.598 20 0 CHADMM CCC[C@@H](C(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000530007100 333518120 /nfs/dbraw/zinc/51/81/20/333518120.db2.gz WLIMJDGKBFLGMY-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM [O-]c1cccc(CNc2ccccc2F)c1Cl ZINC000328474040 333533540 /nfs/dbraw/zinc/53/35/40/333533540.db2.gz NZKRISNEBLZAMZ-UHFFFAOYSA-N -1 1 251.688 3.797 20 0 CHADMM Cc1ccncc1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000547364258 334083616 /nfs/dbraw/zinc/08/36/16/334083616.db2.gz LPLRHZIMBQTJAU-UHFFFAOYSA-N -1 1 292.338 3.525 20 0 CHADMM O=C(Cc1cccc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000082192657 334223568 /nfs/dbraw/zinc/22/35/68/334223568.db2.gz YJUDETPEENMWMI-UHFFFAOYSA-N -1 1 296.153 3.880 20 0 CHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H](C)C(C)C ZINC000568210378 334804505 /nfs/dbraw/zinc/80/45/05/334804505.db2.gz WOMJLKZEEVZFJT-JTQLQIEISA-N -1 1 299.798 3.561 20 0 CHADMM Cc1ccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574713 335288045 /nfs/dbraw/zinc/28/80/45/335288045.db2.gz HYMRTVREKRYQQI-HOCLYGCPSA-N -1 1 285.343 3.551 20 0 CHADMM [O-]c1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1Cl ZINC000380868893 336038244 /nfs/dbraw/zinc/03/82/44/336038244.db2.gz XYSODAVCFAODSV-SNVBAGLBSA-N -1 1 293.716 3.820 20 0 CHADMM C[C@@H]1CCCC[C@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000385051646 336136565 /nfs/dbraw/zinc/13/65/65/336136565.db2.gz SSFUUVUZFXYXEB-MWLCHTKSSA-N -1 1 276.311 3.875 20 0 CHADMM CC(C)(C)CCOCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000292597670 518656012 /nfs/dbraw/zinc/65/60/12/518656012.db2.gz HKTAEBRWQCOEAR-UHFFFAOYSA-N -1 1 292.351 3.622 20 0 CHADMM C[C@@H](N(C)C(=O)c1ccc(Cl)cc1[O-])C(C)(C)C ZINC000055482220 524980870 /nfs/dbraw/zinc/98/08/70/524980870.db2.gz ZVBHAUQVPZGUNW-SECBINFHSA-N -1 1 269.772 3.552 20 0 CHADMM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cncc([O-])c1 ZINC000339931759 525401398 /nfs/dbraw/zinc/40/13/98/525401398.db2.gz IBMOXDSUOKSHJY-KRWDZBQOSA-N -1 1 298.386 3.565 20 0 CHADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000277212799 525863138 /nfs/dbraw/zinc/86/31/38/525863138.db2.gz HJTREYHKWGTWBI-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCCS3)n2)cc1F ZINC000278212947 526338173 /nfs/dbraw/zinc/33/81/73/526338173.db2.gz QJWYHNSZJLBHBS-NSHDSACASA-N -1 1 280.324 3.540 20 0 CHADMM O=C([O-])C[C@H]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000299742069 527635542 /nfs/dbraw/zinc/63/55/42/527635542.db2.gz GRRAMGGOALSUEM-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc2ccccc2c1 ZINC000737487939 599846490 /nfs/dbraw/zinc/84/64/90/599846490.db2.gz UBLOITCSJDLITP-UHFFFAOYSA-N -1 1 295.338 3.763 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)C1CC1 ZINC000830363884 601412277 /nfs/dbraw/zinc/41/22/77/601412277.db2.gz ZNFCCNRLIQHRGD-UHFFFAOYSA-N -1 1 299.370 3.705 20 0 CHADMM O=C([O-])c1cccc(CNc2ccnc3cc(F)ccc32)c1 ZINC000833328921 601933407 /nfs/dbraw/zinc/93/34/07/601933407.db2.gz BHNKDFRXBCEBIJ-UHFFFAOYSA-N -1 1 296.301 3.684 20 0 CHADMM Cc1cccc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000568641008 604848974 /nfs/dbraw/zinc/84/89/74/604848974.db2.gz AXWQYSVZJBCYCS-UHFFFAOYSA-N -1 1 297.354 3.576 20 0 CHADMM CN(Cc1cc(C(=O)[O-])ccc1F)[C@H]1CCc2ccccc21 ZINC000833694341 605830713 /nfs/dbraw/zinc/83/07/13/605830713.db2.gz GOJVJDVKJJPPAD-KRWDZBQOSA-N -1 1 299.345 3.643 20 0 CHADMM O=C([O-])CCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000164690355 949414769 /nfs/dbraw/zinc/41/47/69/949414769.db2.gz BXZHZTSXYCYXIN-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccccc1C(=O)[O-] ZINC000062015337 957597289 /nfs/dbraw/zinc/59/72/89/957597289.db2.gz LLUUXZDRRUHJQB-LBPRGKRZSA-N -1 1 287.334 3.717 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162542734 959216726 /nfs/dbraw/zinc/21/67/26/959216726.db2.gz VZAMDNFNEWEXOB-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM Cc1cc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)c(C)s1 ZINC000235527821 960456591 /nfs/dbraw/zinc/45/65/91/960456591.db2.gz DSUYSBJYUJKQSA-JTQLQIEISA-N -1 1 293.388 3.815 20 0 CHADMM C[C@H](c1cccc(Cl)c1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603286821 972526515 /nfs/dbraw/zinc/52/65/15/972526515.db2.gz MCUDFFGUHLCNFB-MNOVXSKESA-N -1 1 299.773 3.727 20 0 CHADMM CC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccs1 ZINC000314967047 963835757 /nfs/dbraw/zinc/83/57/57/963835757.db2.gz NLOLHSRBTXEBID-DTWKUNHWSA-N -1 1 296.417 3.705 20 0 CHADMM C[C@H](c1ccc(F)cc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000317348691 970350133 /nfs/dbraw/zinc/35/01/33/970350133.db2.gz ADARMQKOBSIWMW-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cc(F)cc(Cl)c1 ZINC001648846618 1118253096 /nfs/dbraw/zinc/25/30/96/1118253096.db2.gz FBMIYDCARBSXLD-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@@H](CN(C)[C@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578836 978486498 /nfs/dbraw/zinc/48/64/98/978486498.db2.gz HUULCRRNNCSHCD-NWDGAFQWSA-N -1 1 294.395 3.582 20 0 CHADMM Cc1cc(CNCc2ccc(C3CCC3)cc2)oc1C(=O)[O-] ZINC000901943303 980642860 /nfs/dbraw/zinc/64/28/60/980642860.db2.gz XMEDDWHYXCVKOC-UHFFFAOYSA-N -1 1 299.370 3.844 20 0 CHADMM O=C([O-])/C=C/c1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000902087040 980726838 /nfs/dbraw/zinc/72/68/38/980726838.db2.gz IZIDFKQFIHWWIW-MDZDMXLPSA-N -1 1 297.354 3.546 20 0 CHADMM CCC[C@@]1(C)CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617574 981654666 /nfs/dbraw/zinc/65/46/66/981654666.db2.gz QZUQKKJTSXZWOX-NHYWBVRUSA-N -1 1 296.436 3.805 20 0 CHADMM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(F)cc1F ZINC001599901212 984832756 /nfs/dbraw/zinc/83/27/56/984832756.db2.gz ZKTPSMLCERWGJJ-SDBXPKJASA-N -1 1 297.326 3.503 20 0 CHADMM CC[C@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001597349419 987484985 /nfs/dbraw/zinc/48/49/85/987484985.db2.gz IIRMMYUZCPKRFR-GWCFXTLKSA-N -1 1 291.322 3.919 20 0 CHADMM CCc1oc(CN2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC001597798609 989369715 /nfs/dbraw/zinc/36/97/15/989369715.db2.gz DGLBEOXZXKPQDL-LBPRGKRZSA-N -1 1 299.370 3.660 20 0 CHADMM C[C@@H](N[C@@H]1CCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593220658 994315111 /nfs/dbraw/zinc/31/51/11/994315111.db2.gz VBCJEHXKNLEPJZ-IAQYHMDHSA-N -1 1 285.343 3.706 20 0 CHADMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001593288421 994656620 /nfs/dbraw/zinc/65/66/20/994656620.db2.gz JBDJKTRTTZDAHP-NSHDSACASA-N -1 1 289.762 3.889 20 0 CHADMM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1cccc(F)c1F ZINC001593289762 994666192 /nfs/dbraw/zinc/66/61/92/994666192.db2.gz XBQWRPUETKKVTL-MRVPVSSYSA-N -1 1 297.326 3.575 20 0 CHADMM CCOc1cccc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001175223702 1121230667 /nfs/dbraw/zinc/23/06/67/1121230667.db2.gz IEQNTMHXOOOVKS-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CCCCCC[C@](C)(CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854634397 1123490765 /nfs/dbraw/zinc/49/07/65/1123490765.db2.gz CFNDZCHESIVFRT-HNNXBMFYSA-N -1 1 281.400 3.749 20 0 CHADMM Cc1ncncc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924293 1134329269 /nfs/dbraw/zinc/32/92/69/1134329269.db2.gz HSLIATRMRLVUFN-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM [O-]c1cccc(CNCc2cc(F)ccc2F)c1Cl ZINC000393223745 1125552825 /nfs/dbraw/zinc/55/28/25/1125552825.db2.gz GSGCPPRDLKKEHS-UHFFFAOYSA-N -1 1 283.705 3.614 20 0 CHADMM C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)c1cnccn1 ZINC001229406309 1125554662 /nfs/dbraw/zinc/55/46/62/1125554662.db2.gz QIJDEXWVAOXDEK-SSDOTTSWSA-N -1 1 285.130 3.629 20 0 CHADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@H]2CCC(C)C)s[n-]1 ZINC000509678950 1125573376 /nfs/dbraw/zinc/57/33/76/1125573376.db2.gz GQXOEAXKNJNALP-AGIUHOORSA-N -1 1 297.468 3.684 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000885682405 1125620872 /nfs/dbraw/zinc/62/08/72/1125620872.db2.gz OALXOXAEQIERGU-OWUUHHOZSA-N -1 1 297.757 3.950 20 0 CHADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325047 1125628002 /nfs/dbraw/zinc/62/80/02/1125628002.db2.gz ZXGKKKQUOJBNKH-GXFFZTMASA-N -1 1 281.783 3.744 20 0 CHADMM CCC[C@H](CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000110325392 1125628821 /nfs/dbraw/zinc/62/88/21/1125628821.db2.gz CMXUKNATKFABDN-AWEZNQCLSA-N -1 1 271.360 3.854 20 0 CHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000110325455 1125629684 /nfs/dbraw/zinc/62/96/84/1125629684.db2.gz HSTQQWNLLGUXMJ-SNVBAGLBSA-N -1 1 281.783 3.744 20 0 CHADMM [O-]c1cc(F)cnc1Nc1c(Cl)ccc(F)c1F ZINC001213945847 1125670770 /nfs/dbraw/zinc/67/07/70/1125670770.db2.gz VRWCPMVGKJNQGR-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CC(C)(C)c1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000219979581 1125694377 /nfs/dbraw/zinc/69/43/77/1125694377.db2.gz ZXXSIELMCZZUOU-UHFFFAOYSA-N -1 1 285.343 3.648 20 0 CHADMM CCCCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192451280 1125767088 /nfs/dbraw/zinc/76/70/88/1125767088.db2.gz FXHXLOHWEODCJI-UHFFFAOYSA-N -1 1 296.436 3.736 20 0 CHADMM Cc1cncc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000184765581 1129248593 /nfs/dbraw/zinc/24/85/93/1129248593.db2.gz IQZUCQWRCQPINF-DUXPYHPUSA-N -1 1 273.719 3.645 20 0 CHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(C(F)F)c1 ZINC000194584438 1129249574 /nfs/dbraw/zinc/24/95/74/1129249574.db2.gz YGWNCDZCDIGIBA-UHFFFAOYSA-N -1 1 298.676 3.631 20 0 CHADMM Cc1cc2cnc(-c3cc([O-])cc(F)c3)nc2s1 ZINC001241261980 1129500930 /nfs/dbraw/zinc/50/09/30/1129500930.db2.gz GUBVEFZQDOXFER-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM COc1cc(SC)c(-c2cccc(Cl)c2[O-])cn1 ZINC001242366665 1129798387 /nfs/dbraw/zinc/79/83/87/1129798387.db2.gz AZKOLGHMSBINCB-UHFFFAOYSA-N -1 1 281.764 3.838 20 0 CHADMM CN(C)c1ccc(-c2cc([S-])cc(S)c2)cc1 ZINC001240915290 1130514873 /nfs/dbraw/zinc/51/48/73/1130514873.db2.gz KQJZQJPXAKANMB-UHFFFAOYSA-N -1 1 261.415 3.997 20 0 CHADMM Cc1coc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000903997950 1126816784 /nfs/dbraw/zinc/81/67/84/1126816784.db2.gz AUPWWCZPQFEKJP-CQSZACIVSA-N -1 1 293.750 3.547 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncc2ccccc21 ZINC000357384424 1126818425 /nfs/dbraw/zinc/81/84/25/1126818425.db2.gz ZDYQXDUGVBUNEF-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM CSc1ccc([O-])c(-c2nc(-c3ccsc3)no2)c1 ZINC000904297590 1126843498 /nfs/dbraw/zinc/84/34/98/1126843498.db2.gz CVMAFMNLLKFHCH-UHFFFAOYSA-N -1 1 290.369 3.893 20 0 CHADMM Cc1sc(C)c2c1[n-]c(C1CC(F)(F)C1)nc2=O ZINC000905031701 1126888472 /nfs/dbraw/zinc/88/84/72/1126888472.db2.gz MOTNIUCFVITXGC-UHFFFAOYSA-N -1 1 270.304 3.526 20 0 CHADMM CCC(=O)c1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001300817018 1127012017 /nfs/dbraw/zinc/01/20/17/1127012017.db2.gz WOOASAYHRQNZPL-UHFFFAOYSA-N -1 1 283.327 3.546 20 0 CHADMM CCCC1(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908709268 1127012833 /nfs/dbraw/zinc/01/28/33/1127012833.db2.gz LVLCCZLEKRYVCV-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM CC1=C(C(=O)Nc2cccc([O-])c2Br)CCC1 ZINC000908708836 1127012939 /nfs/dbraw/zinc/01/29/39/1127012939.db2.gz CSVBWKVOPPYONL-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000269664573 1127044411 /nfs/dbraw/zinc/04/44/11/1127044411.db2.gz KKHBQLHMXWXWKV-GHMZBOCLSA-N -1 1 291.347 3.643 20 0 CHADMM CC(C)C[C@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909978641 1127042138 /nfs/dbraw/zinc/04/21/38/1127042138.db2.gz WCOVUHDJDFYINL-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM CC(C)c1ccc(C(=O)N(C)c2ccsc2)c([O-])c1 ZINC000912012013 1127091381 /nfs/dbraw/zinc/09/13/81/1127091381.db2.gz ZCJMIFPHQDBKBC-UHFFFAOYSA-N -1 1 275.373 3.854 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCCC1 ZINC001296195089 1127131440 /nfs/dbraw/zinc/13/14/40/1127131440.db2.gz ZOUKFQXVKNRXRR-LLVKDONJSA-N -1 1 279.355 3.620 20 0 CHADMM O=C(Nc1cccc(N2CCCCC2)c1)c1ccccc1[O-] ZINC000055356155 1127157856 /nfs/dbraw/zinc/15/78/56/1127157856.db2.gz QYFQAZMTIZGALZ-UHFFFAOYSA-N -1 1 296.370 3.635 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2cnn(C(C)C)c2)c([O-])c1 ZINC000589698040 1127234371 /nfs/dbraw/zinc/23/43/71/1127234371.db2.gz NUHOXHRBLZMWRP-UHFFFAOYSA-N -1 1 287.363 3.545 20 0 CHADMM COc1nccc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245832903 1131202585 /nfs/dbraw/zinc/20/25/85/1131202585.db2.gz VMHLLRIOEAFWLY-UHFFFAOYSA-N -1 1 267.687 3.564 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCC(F)(F)C3)n2)cc1F ZINC000289182138 1127376663 /nfs/dbraw/zinc/37/66/63/1127376663.db2.gz WMMPVLDDTWYMJU-SECBINFHSA-N -1 1 298.264 3.874 20 0 CHADMM CCC[C@@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000297091892 1127688458 /nfs/dbraw/zinc/68/84/58/1127688458.db2.gz XGENKUKFEXGCOI-LLVKDONJSA-N -1 1 282.727 3.583 20 0 CHADMM Cc1ccc(CCC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000605439025 1127735926 /nfs/dbraw/zinc/73/59/26/1127735926.db2.gz UIUOXCJFEBJRMI-UHFFFAOYSA-N -1 1 287.334 3.719 20 0 CHADMM O=C(CCc1ccc(Cl)s1)Nc1c([O-])cccc1F ZINC000605439563 1127736946 /nfs/dbraw/zinc/73/69/46/1127736946.db2.gz XUOGOIKTQDMTTD-UHFFFAOYSA-N -1 1 299.754 3.818 20 0 CHADMM C[C@@H](CC1CCCC1)C(=O)Nc1c([O-])cccc1F ZINC000608366118 1127862411 /nfs/dbraw/zinc/86/24/11/1127862411.db2.gz NRHXYXZJSNCRNJ-JTQLQIEISA-N -1 1 265.328 3.686 20 0 CHADMM O=C(C[C@H]1CCc2ccccc2C1)Nc1c([O-])cccc1F ZINC000608365257 1127862424 /nfs/dbraw/zinc/86/24/24/1127862424.db2.gz DBJKLJQXVKDGCO-LBPRGKRZSA-N -1 1 299.345 3.665 20 0 CHADMM O=C(C[C@@H]1CCc2ccccc21)Nc1c([O-])cccc1F ZINC000608367172 1127863108 /nfs/dbraw/zinc/86/31/08/1127863108.db2.gz LAQCGAPAIFGUCA-LBPRGKRZSA-N -1 1 285.318 3.590 20 0 CHADMM Cc1ccccc1[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367208 1127863237 /nfs/dbraw/zinc/86/32/37/1127863237.db2.gz MVYQITDNNOQGRR-GFCCVEGCSA-N -1 1 287.334 3.972 20 0 CHADMM CCCc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000540713449 1127992025 /nfs/dbraw/zinc/99/20/25/1127992025.db2.gz RLTJUAKGJUOVLA-UHFFFAOYSA-N -1 1 295.433 3.500 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)COC(C)(C)C ZINC001233646138 1128005711 /nfs/dbraw/zinc/00/57/11/1128005711.db2.gz FXWJFNJCRZOPMJ-GFCCVEGCSA-N -1 1 294.391 3.957 20 0 CHADMM CC(C)(C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000301771507 1128025739 /nfs/dbraw/zinc/02/57/39/1128025739.db2.gz WJVHQLRJRPQPAU-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000626227904 1128112222 /nfs/dbraw/zinc/11/22/22/1128112222.db2.gz OXANYSUFCBKGJB-ZCFIWIBFSA-N -1 1 281.661 3.573 20 0 CHADMM [O-]c1cccc(CNc2cccc(F)c2)c1Cl ZINC000328504740 1128433195 /nfs/dbraw/zinc/43/31/95/1128433195.db2.gz ZCOSDXQQXBCTBY-UHFFFAOYSA-N -1 1 251.688 3.797 20 0 CHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000564064489 1128492257 /nfs/dbraw/zinc/49/22/57/1128492257.db2.gz QLMNMWVTCTYXAZ-KXFIGUGUSA-N -1 1 273.357 3.521 20 0 CHADMM C[C@@H](CSCCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000917617177 1128510849 /nfs/dbraw/zinc/51/08/49/1128510849.db2.gz PMHBEUHKUHKLGV-VIFPVBQESA-N -1 1 292.322 3.897 20 0 CHADMM Cc1cnc(SCC2CCC3(CC3)CC2)[n-]c1=O ZINC000917777417 1128519174 /nfs/dbraw/zinc/51/91/74/1128519174.db2.gz HLSRHTBUQRHUEM-UHFFFAOYSA-N -1 1 264.394 3.553 20 0 CHADMM C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000070157995 1128559079 /nfs/dbraw/zinc/55/90/79/1128559079.db2.gz MGHSLUHJZFXHAN-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000068782233 1128523902 /nfs/dbraw/zinc/52/39/02/1128523902.db2.gz YWRCXQCKVYOKSQ-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM [O-]c1ccc(-c2noc([C@@]34C[C@@H]3CCC4)n2)c(Cl)c1 ZINC000565415107 1128526048 /nfs/dbraw/zinc/52/60/48/1128526048.db2.gz WZGKIMGJGXUQAR-RTHLEPHNSA-N -1 1 276.723 3.537 20 0 CHADMM CCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000567237563 1128560529 /nfs/dbraw/zinc/56/05/29/1128560529.db2.gz LQFZZJBBMAOXCJ-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM [O-]c1cc(F)c(CN2CCCC3(CCC3)C2)cc1Cl ZINC001238154010 1117796351 /nfs/dbraw/zinc/79/63/51/1117796351.db2.gz IKDVWHPDULEKTJ-UHFFFAOYSA-N -1 1 283.774 3.951 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000049081185 1128742548 /nfs/dbraw/zinc/74/25/48/1128742548.db2.gz JBRQITJIYKDEHZ-SNVBAGLBSA-N -1 1 275.735 3.537 20 0 CHADMM CCCCCN(C(=O)c1cncc([O-])c1)[C@@H](C)CCC ZINC000339834026 1117983058 /nfs/dbraw/zinc/98/30/58/1117983058.db2.gz JESMVMSSSDCPGD-ZDUSSCGKSA-N -1 1 278.396 3.608 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc2ccccc2c1 ZINC000093912784 1118072978 /nfs/dbraw/zinc/07/29/78/1118072978.db2.gz PMJPHGXWPMFXKT-UHFFFAOYSA-N -1 1 295.313 3.961 20 0 CHADMM C[C@@H](CC(=O)Nc1cccc(F)c1[O-])c1cccc(F)c1 ZINC001648846571 1118252646 /nfs/dbraw/zinc/25/26/46/1118252646.db2.gz CGRFZFZPGXKODY-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cc2ccccc2o1 ZINC001648847495 1118253815 /nfs/dbraw/zinc/25/38/15/1118253815.db2.gz QDCVCKDWKPNUQE-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM Cc1ccnc2ccc(C(=O)Nc3c([O-])cccc3F)cc12 ZINC000671785060 1118397769 /nfs/dbraw/zinc/39/77/69/1118397769.db2.gz WWNOPHBBPVWKLP-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CN(C)c1cncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210926798 1118424548 /nfs/dbraw/zinc/42/45/48/1118424548.db2.gz OIUHYDPMHJJHTM-UHFFFAOYSA-N -1 1 298.173 3.904 20 0 CHADMM Cc1c(-c2ccccc2)[n-]n(C2CCCCCC2)c1=O ZINC000128143922 1118439953 /nfs/dbraw/zinc/43/99/53/1118439953.db2.gz LLPRTECUZQQKJR-ZDUSSCGKSA-N -1 1 270.376 3.592 20 0 CHADMM COc1cc(C)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211338063 1118505425 /nfs/dbraw/zinc/50/54/25/1118505425.db2.gz BAVOXLJFTCHNDF-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM CC(=O)c1c(F)cccc1Nc1cc(F)c([O-])cc1F ZINC001215573321 1118528885 /nfs/dbraw/zinc/52/88/85/1118528885.db2.gz FAQGAFYHKDNARW-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN(Cc1ccoc1)C1CC1 ZINC000723740375 1118711906 /nfs/dbraw/zinc/71/19/06/1118711906.db2.gz QILRLYNJUKTBNI-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM CCOc1cc(C(=O)N(CC)[C@@H](C)CC)cc(Cl)c1[O-] ZINC000616985914 1128807531 /nfs/dbraw/zinc/80/75/31/1128807531.db2.gz GKSWXHLOEUMICN-JTQLQIEISA-N -1 1 299.798 3.705 20 0 CHADMM CCCC(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872015 1119081697 /nfs/dbraw/zinc/08/16/97/1119081697.db2.gz OYMIZPWICJXKPC-UHFFFAOYSA-N -1 1 289.297 3.720 20 0 CHADMM Cc1cc2c(c(C)c1)/C(=C/c1ccc([O-])c(F)c1)C(=O)N2 ZINC000799896993 1119258955 /nfs/dbraw/zinc/25/89/55/1119258955.db2.gz MLYGWVOWLFAXKA-GHXNOFRVSA-N -1 1 283.302 3.641 20 0 CHADMM CCc1ccc(O)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381780 1119341450 /nfs/dbraw/zinc/34/14/50/1119341450.db2.gz GWQLZDUOAYZNFC-UHFFFAOYSA-N -1 1 265.259 3.682 20 0 CHADMM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000126984301 1119357118 /nfs/dbraw/zinc/35/71/18/1119357118.db2.gz FFVSEKKUVFUPQT-NXEZZACHSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)sc1C ZINC000091011097 1119551112 /nfs/dbraw/zinc/55/11/12/1119551112.db2.gz FPLXNPSREGKGIV-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM O=C(NOC1CCCCC1)c1cc2ccccc2cc1[O-] ZINC000779320561 1128871922 /nfs/dbraw/zinc/87/19/22/1128871922.db2.gz MNXKJAQKYBPFCS-UHFFFAOYSA-N -1 1 285.343 3.540 20 0 CHADMM CCOc1cc(C(=O)N[C@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000186918001 1120007498 /nfs/dbraw/zinc/00/74/98/1120007498.db2.gz ULNSNUYLZUNFDU-SNVBAGLBSA-N -1 1 299.798 3.609 20 0 CHADMM CC(C)(C)CCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960538 1128888689 /nfs/dbraw/zinc/88/86/89/1128888689.db2.gz MAJVUIZMSFBIOB-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(Cl)cc1F ZINC000659797112 1120111946 /nfs/dbraw/zinc/11/19/46/1120111946.db2.gz DBSCGMYHUXUQSE-NRUUGDAUSA-N -1 1 299.773 3.553 20 0 CHADMM N#CC(=C([O-])C1=CCCCCC1)c1cnc2ccccc2n1 ZINC000190988294 1128896017 /nfs/dbraw/zinc/89/60/17/1128896017.db2.gz ZIGUWWZIZODZJO-CQSZACIVSA-N -1 1 291.354 3.697 20 0 CHADMM CCc1nc(S[C@@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000629185287 1128900897 /nfs/dbraw/zinc/90/08/97/1128900897.db2.gz YZGKDUDNWLPXFE-BXKDBHETSA-N -1 1 266.410 3.724 20 0 CHADMM Cc1nc(Cl)cc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214479878 1120239805 /nfs/dbraw/zinc/23/98/05/1120239805.db2.gz HXURGXZSHMTMJY-UHFFFAOYSA-N -1 1 288.109 3.680 20 0 CHADMM O=C(Cc1cccc(Cl)c1)Nc1cc([O-])c(F)cc1F ZINC001625894447 1120247930 /nfs/dbraw/zinc/24/79/30/1120247930.db2.gz XRRNBIAHCNOJCW-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM [O-]c1c(F)cc(Nc2ccnn2CC2CC2)cc1Cl ZINC001214482833 1120252903 /nfs/dbraw/zinc/25/29/03/1120252903.db2.gz QODXFVMDBXOZCX-UHFFFAOYSA-N -1 1 281.718 3.535 20 0 CHADMM Cc1ccnc(F)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482961 1120259504 /nfs/dbraw/zinc/25/95/04/1120259504.db2.gz WXPYZBVAUOQNFX-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM C[C@H]1CCN(C(=O)c2cccc([O-])c2F)c2ccccc21 ZINC001626065615 1120309813 /nfs/dbraw/zinc/30/98/13/1120309813.db2.gz PIPUHNTXRLNUNC-NSHDSACASA-N -1 1 285.318 3.685 20 0 CHADMM CCC(F)(F)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001118971642 1131243708 /nfs/dbraw/zinc/24/37/08/1131243708.db2.gz GYCVFZRFLSPAHE-UHFFFAOYSA-N -1 1 297.679 3.593 20 0 CHADMM O=c1[n-]c(-c2cc(O)cc(Cl)c2)nc2cccc(F)c12 ZINC000672773373 1120351710 /nfs/dbraw/zinc/35/17/10/1120351710.db2.gz AWISMXXMHKIYLM-UHFFFAOYSA-N -1 1 290.681 3.501 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC2(CC2)CC1 ZINC000629652807 1128923026 /nfs/dbraw/zinc/92/30/26/1128923026.db2.gz CYVPLMGRGFORFM-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000432207243 1120685823 /nfs/dbraw/zinc/68/58/23/1120685823.db2.gz WMFPUWLIXDAXIY-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1Cl)CCCC2 ZINC000629942664 1128943178 /nfs/dbraw/zinc/94/31/78/1128943178.db2.gz MDEUMIHLBRHXAY-LLVKDONJSA-N -1 1 297.185 3.882 20 0 CHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000048652359 1120836177 /nfs/dbraw/zinc/83/61/77/1120836177.db2.gz YRIXEGFJZNNCRE-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000048655419 1120836238 /nfs/dbraw/zinc/83/62/38/1120836238.db2.gz XMDLAGYKTVLDBG-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM COc1ccc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000652554782 1120880604 /nfs/dbraw/zinc/88/06/04/1120880604.db2.gz KDWIKPIFAZEVHU-UHFFFAOYSA-N -1 1 299.370 3.801 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1c(F)cccc1C1CC1 ZINC001213448169 1120937404 /nfs/dbraw/zinc/93/74/04/1120937404.db2.gz YFXUZMWYOICKBB-UHFFFAOYSA-N -1 1 290.294 3.611 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc2cccnc21 ZINC001174861130 1121070569 /nfs/dbraw/zinc/07/05/69/1121070569.db2.gz DEGUERXLENSKRQ-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000085060519 1121092138 /nfs/dbraw/zinc/09/21/38/1121092138.db2.gz DTGCXOJPCZKIAT-JFGNBEQYSA-N -1 1 281.783 3.600 20 0 CHADMM COCc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174921991 1121096029 /nfs/dbraw/zinc/09/60/29/1121096029.db2.gz TUZYRPPAEHSCKL-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM COc1cc(F)c(Nc2c([O-])cc(F)cc2F)cc1F ZINC001174926345 1121100321 /nfs/dbraw/zinc/10/03/21/1121100321.db2.gz JZKZGNCNNQEJFY-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1cc(Nc2cc(F)c(F)c(F)c2)cc(F)c1F ZINC001174959819 1121112534 /nfs/dbraw/zinc/11/25/34/1121112534.db2.gz LZIZAXMYKZUECB-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000085069735 1121175601 /nfs/dbraw/zinc/17/56/01/1121175601.db2.gz OIRXPYFIJLCRJI-ZYHUDNBSSA-N -1 1 281.783 3.744 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)c(F)cc1F ZINC001175090773 1121180103 /nfs/dbraw/zinc/18/01/03/1121180103.db2.gz CSQSBUBUBBOVEQ-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1c(F)cc(F)cc1F ZINC001175143894 1121200468 /nfs/dbraw/zinc/20/04/68/1121200468.db2.gz OZHVGOXNYIPHGB-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CCOc1cccc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001175224766 1121231490 /nfs/dbraw/zinc/23/14/90/1121231490.db2.gz CALDNSTVLDEFFH-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM [O-]c1cccc(CN2CCc3cc(F)ccc3C2)c1Cl ZINC000512280821 1121244641 /nfs/dbraw/zinc/24/46/41/1121244641.db2.gz XONLXDUJECLAJQ-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001175274831 1121248438 /nfs/dbraw/zinc/24/84/38/1121248438.db2.gz DMOPPOOHYOQVBT-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CCOc1cc(F)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001175287205 1121254324 /nfs/dbraw/zinc/25/43/24/1121254324.db2.gz OBBHCZGUHPZGAO-UHFFFAOYSA-N -1 1 289.266 3.611 20 0 CHADMM CCOc1cc(F)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001175289652 1121256911 /nfs/dbraw/zinc/25/69/11/1121256911.db2.gz FVCPEHPBVOYKKF-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CSc1c(F)cccc1[N-]C(=O)c1ocnc1C1CC1 ZINC000617275011 1121264513 /nfs/dbraw/zinc/26/45/13/1121264513.db2.gz PZEOPUCQHPKDIA-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM CC(=O)c1ccsc1Nc1c(F)ccc([O-])c1F ZINC001175262948 1121265619 /nfs/dbraw/zinc/26/56/19/1121265619.db2.gz FBYHHOHYFCOLIQ-UHFFFAOYSA-N -1 1 269.272 3.678 20 0 CHADMM C[S@@](=O)c1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001175308345 1121278544 /nfs/dbraw/zinc/27/85/44/1121278544.db2.gz KPAUYJJDGOPNHL-LJQANCHMSA-N -1 1 299.754 3.666 20 0 CHADMM O=C(Nc1ccc(C2CC2)cc1F)c1cccc([O-])c1F ZINC001175322867 1121282251 /nfs/dbraw/zinc/28/22/51/1121282251.db2.gz XDUUNXXCCMKIGM-UHFFFAOYSA-N -1 1 289.281 3.800 20 0 CHADMM Cn1ncc2cccc(Nc3cc([O-])c(Cl)cc3F)c21 ZINC001175443064 1121328107 /nfs/dbraw/zinc/32/81/07/1121328107.db2.gz KDOHAZQRVWCKEN-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM CCCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023091 1128978068 /nfs/dbraw/zinc/97/80/68/1128978068.db2.gz HGANYEIYSXKIKP-UHFFFAOYSA-N -1 1 252.383 3.650 20 0 CHADMM Cc1c2c[nH]nc2ccc1Nc1ccc(F)c(F)c1[O-] ZINC001175467394 1121330636 /nfs/dbraw/zinc/33/06/36/1121330636.db2.gz RXDVOSIWIYCNQK-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM CCc1cccc([N-]S(=O)(=O)c2ccccc2)c1CC ZINC000486087321 1121332583 /nfs/dbraw/zinc/33/25/83/1121332583.db2.gz GBAKMGIGZQWIMW-UHFFFAOYSA-N -1 1 289.400 3.612 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCC(F)(F)C1 ZINC000282821381 1121339859 /nfs/dbraw/zinc/33/98/59/1121339859.db2.gz YODRXMDTPPVZSV-QMMMGPOBSA-N -1 1 289.709 3.810 20 0 CHADMM Cc1cc(Cl)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000675707930 1121345276 /nfs/dbraw/zinc/34/52/76/1121345276.db2.gz FMHDSXGOADBQDI-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1nc(S[C@@H]2CC[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023118 1128979483 /nfs/dbraw/zinc/97/94/83/1128979483.db2.gz IHFSUAIGBZATMT-LDYMZIIASA-N -1 1 264.394 3.649 20 0 CHADMM [O-]c1cc(Cl)c(Nc2cccc(CO)c2)cc1Cl ZINC001175513668 1121355525 /nfs/dbraw/zinc/35/55/25/1121355525.db2.gz ZVOOKKQQQCNSNG-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cnn(C3CC3)c2)c1Cl ZINC001175962342 1121504610 /nfs/dbraw/zinc/50/46/10/1121504610.db2.gz WBGWZDDQRHSSGY-UHFFFAOYSA-N -1 1 284.146 3.974 20 0 CHADMM [S-]c1cccc(Cl)c1Nc1ccc2nn[nH]c2c1 ZINC001176001866 1121519402 /nfs/dbraw/zinc/51/94/02/1121519402.db2.gz CNDDPKYFAPWQJI-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM [S-]c1cccc(Cl)c1Nc1ccc2n[nH]nc2c1 ZINC001176001866 1121519407 /nfs/dbraw/zinc/51/94/07/1121519407.db2.gz CNDDPKYFAPWQJI-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1cc(F)ccc1F ZINC000773563474 1121593834 /nfs/dbraw/zinc/59/38/34/1121593834.db2.gz BTQCDQSPRXFNLR-QMMMGPOBSA-N -1 1 296.244 3.728 20 0 CHADMM Cc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001176399595 1121626200 /nfs/dbraw/zinc/62/62/00/1121626200.db2.gz RETXHNHPAALGTM-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2nsc3ncccc23)c1F ZINC001176663611 1121669984 /nfs/dbraw/zinc/66/99/84/1121669984.db2.gz GJWPCMPNWKRVDO-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ncc(Cl)cc2F)c1F ZINC001176663534 1121670176 /nfs/dbraw/zinc/67/01/76/1121670176.db2.gz IQHMFOUKZSZKPJ-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cc2F)c1F ZINC001176669638 1121671368 /nfs/dbraw/zinc/67/13/68/1121671368.db2.gz JHWAQEMHFWYMBL-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669812 1121671431 /nfs/dbraw/zinc/67/14/31/1121671431.db2.gz KYJAQDUQEHXVGE-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(Cl)c2)c1F ZINC001176664426 1121671469 /nfs/dbraw/zinc/67/14/69/1121671469.db2.gz ZDSXKGWIAOMLQK-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CCc1cccnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664634 1121671487 /nfs/dbraw/zinc/67/14/87/1121671487.db2.gz TWIHKVLPRRHXSK-UHFFFAOYSA-N -1 1 268.238 3.511 20 0 CHADMM CC(C)(O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672082 1121673487 /nfs/dbraw/zinc/67/34/87/1121673487.db2.gz SMVKZQYAAORKQT-UHFFFAOYSA-N -1 1 297.276 3.781 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)[C@@H](O)CC3)c1F ZINC001176672565 1121673690 /nfs/dbraw/zinc/67/36/90/1121673690.db2.gz MRXMUWHGTGRZOM-LBPRGKRZSA-N -1 1 295.260 3.533 20 0 CHADMM C[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1cccs1 ZINC001176987674 1121703401 /nfs/dbraw/zinc/70/34/01/1121703401.db2.gz BJPODJZRYHATPE-SECBINFHSA-N -1 1 295.791 3.527 20 0 CHADMM CC(C)Sc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000728975378 1121733729 /nfs/dbraw/zinc/73/37/29/1121733729.db2.gz BXTVHVMARRRZTM-VIFPVBQESA-N -1 1 291.338 3.927 20 0 CHADMM Cc1cc([C@H](C)NC(=O)c2ccc([O-])cc2F)c(C)s1 ZINC000154625773 1121759160 /nfs/dbraw/zinc/75/91/60/1121759160.db2.gz FGPXSSNIPRVOPX-VIFPVBQESA-N -1 1 293.363 3.701 20 0 CHADMM Cc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)s1 ZINC000728082559 1121762047 /nfs/dbraw/zinc/76/20/47/1121762047.db2.gz ZPXPETKQDRSSJA-UHFFFAOYSA-N -1 1 295.791 3.688 20 0 CHADMM O=C(NCc1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000070134747 1121940939 /nfs/dbraw/zinc/94/09/39/1121940939.db2.gz DFFBUAAGAVUEBG-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM CO[C@H](CC(C)C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000420490677 1122013716 /nfs/dbraw/zinc/01/37/16/1122013716.db2.gz BYFOOHQKEHUIFM-GFCCVEGCSA-N -1 1 296.754 3.829 20 0 CHADMM CN(Cc1cc(F)cc(F)c1)Cc1ccc([O-])c(F)c1F ZINC001181445081 1122055909 /nfs/dbraw/zinc/05/59/09/1122055909.db2.gz JZBHYYJGPCUMHP-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM CC(C)(C)c1nc(Nc2cc(Cl)c([O-])cc2F)no1 ZINC001250020321 1122073804 /nfs/dbraw/zinc/07/38/04/1122073804.db2.gz KDGIVFPIYJDVCO-UHFFFAOYSA-N -1 1 285.706 3.609 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(F)nc(F)c2)cc1Cl ZINC001250020383 1122074605 /nfs/dbraw/zinc/07/46/05/1122074605.db2.gz STCVDVXNTIJLRS-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1cc(F)c(Nc2ncc(Cl)cc2O)cc1Cl ZINC001250020259 1122077450 /nfs/dbraw/zinc/07/74/50/1122077450.db2.gz HPWJFFFSDHDKDS-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM C[C@H](O)c1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022787 1122090103 /nfs/dbraw/zinc/09/01/03/1122090103.db2.gz VLLPLQYRTUOPBP-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM Cc1ccc2cnccc2c1NC(=O)c1ccc([O-])c(F)c1 ZINC001182000205 1122102301 /nfs/dbraw/zinc/10/23/01/1122102301.db2.gz BZSDCFSRDSNSKS-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCCO1 ZINC000632030060 1129035785 /nfs/dbraw/zinc/03/57/85/1129035785.db2.gz QMOPRUJTQHKRHY-ZDUSSCGKSA-N -1 1 297.782 3.579 20 0 CHADMM CCC(C)(C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271966544 1122185004 /nfs/dbraw/zinc/18/50/04/1122185004.db2.gz VNQVGWFNGHDKQK-UHFFFAOYSA-N -1 1 289.297 3.672 20 0 CHADMM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183217371 1122211304 /nfs/dbraw/zinc/21/13/04/1122211304.db2.gz AZXKFLKFWLZGEP-VIFPVBQESA-N -1 1 284.787 3.842 20 0 CHADMM CCCC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000133699465 1122214220 /nfs/dbraw/zinc/21/42/20/1122214220.db2.gz STUBKNFOGHTRRZ-UHFFFAOYSA-N -1 1 271.360 3.854 20 0 CHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000031665502 1122294506 /nfs/dbraw/zinc/29/45/06/1122294506.db2.gz XEAOEOAJAQJFJE-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCCc1cc(Nc2c(F)ccc([O-])c2Cl)on1 ZINC001250228055 1122373798 /nfs/dbraw/zinc/37/37/98/1122373798.db2.gz JIDRSPHJSOWZJG-UHFFFAOYSA-N -1 1 270.691 3.869 20 0 CHADMM Cc1cncc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250228194 1122373936 /nfs/dbraw/zinc/37/39/36/1122373936.db2.gz PQTPJHXGFTYGEE-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM O=C(Nc1ccc(-n2cccc2)cc1)c1ccc([O-])cc1F ZINC001186311029 1122384019 /nfs/dbraw/zinc/38/40/19/1122384019.db2.gz KVAZECDDFWRTOV-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cccc(F)c1[O-] ZINC001189051361 1122487546 /nfs/dbraw/zinc/48/75/46/1122487546.db2.gz IOKWQHAHKUKJNO-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CSc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000071380956 1129059641 /nfs/dbraw/zinc/05/96/41/1129059641.db2.gz ANUZWWSUZWZUFG-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccccc2SC)n1 ZINC000436214230 1122525272 /nfs/dbraw/zinc/52/52/72/1122525272.db2.gz ZXXOMGUGBDVFIB-UHFFFAOYSA-N -1 1 292.429 3.759 20 0 CHADMM CCN(C(=O)c1ccccc1[O-])c1cccc(C)c1C ZINC000436551266 1122559737 /nfs/dbraw/zinc/55/97/37/1122559737.db2.gz YACUXVQPFXCJKH-UHFFFAOYSA-N -1 1 269.344 3.676 20 0 CHADMM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000436576794 1122561148 /nfs/dbraw/zinc/56/11/48/1122561148.db2.gz RFTBPCQCDGVDNA-UHFFFAOYSA-N -1 1 297.354 3.873 20 0 CHADMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000436567083 1122562208 /nfs/dbraw/zinc/56/22/08/1122562208.db2.gz WVGNJYXCIHWTOG-UHFFFAOYSA-N -1 1 288.322 3.604 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCCCc2ccccc21 ZINC000436592662 1122563174 /nfs/dbraw/zinc/56/31/74/1122563174.db2.gz XISLRUPZBVRJIZ-UHFFFAOYSA-N -1 1 299.345 3.905 20 0 CHADMM CCC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436583527 1122564556 /nfs/dbraw/zinc/56/45/56/1122564556.db2.gz HKMPLADERLZTIB-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM COc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436626532 1122566553 /nfs/dbraw/zinc/56/65/53/1122566553.db2.gz RJJIFOAONPAWMV-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM O=C(Nc1cccc2ccc(O)cc21)c1cc(F)ccc1[O-] ZINC000436738664 1122575997 /nfs/dbraw/zinc/57/59/97/1122575997.db2.gz MISCFYSUPLUYRH-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CCN(C(=O)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000436760741 1122578033 /nfs/dbraw/zinc/57/80/33/1122578033.db2.gz SEOQBQMYXPGVOA-UHFFFAOYSA-N -1 1 275.735 3.712 20 0 CHADMM O=C(Nc1ccsc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751542 1122579444 /nfs/dbraw/zinc/57/94/44/1122579444.db2.gz MECQMHXOAULSPQ-UHFFFAOYSA-N -1 1 287.262 3.725 20 0 CHADMM CCc1ccc(C(=O)N(CC)c2ccccc2OC)c([O-])c1 ZINC000436823431 1122586434 /nfs/dbraw/zinc/58/64/34/1122586434.db2.gz UTVMKQKMECERMT-UHFFFAOYSA-N -1 1 299.370 3.630 20 0 CHADMM [O-]c1ccc(-c2noc([C@H](F)c3ccccc3)n2)cc1F ZINC000436876919 1122590424 /nfs/dbraw/zinc/59/04/24/1122590424.db2.gz CLYZUTOAVHVBOR-CYBMUJFWSA-N -1 1 288.253 3.640 20 0 CHADMM Cc1ccc(Cc2noc(-c3cc(F)ccc3[O-])n2)s1 ZINC000436886137 1122590899 /nfs/dbraw/zinc/59/08/99/1122590899.db2.gz QULVQALLZHULBU-UHFFFAOYSA-N -1 1 290.319 3.542 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N(CC1CC1)C1CCC1 ZINC000436930274 1122595972 /nfs/dbraw/zinc/59/59/72/1122595972.db2.gz WKYZIVDBFCJFAP-UHFFFAOYSA-N -1 1 295.382 3.950 20 0 CHADMM C[C@H](c1cccs1)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436936003 1122596699 /nfs/dbraw/zinc/59/66/99/1122596699.db2.gz LZWMNVTTWNAIBD-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM CCc1ccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c([O-])c1 ZINC000437002004 1122603342 /nfs/dbraw/zinc/60/33/42/1122603342.db2.gz RWHKBKMBIJNOFO-UHFFFAOYSA-N -1 1 294.354 3.713 20 0 CHADMM CCCCCCNC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001191979772 1122626056 /nfs/dbraw/zinc/62/60/56/1122626056.db2.gz FSKUTDCDKZBUEV-UHFFFAOYSA-N -1 1 270.760 3.747 20 0 CHADMM CC(C)n1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001203172950 1122638606 /nfs/dbraw/zinc/63/86/06/1122638606.db2.gz LSTAMUOINVKSJA-UHFFFAOYSA-N -1 1 282.347 3.704 20 0 CHADMM CCCCCOC(=O)Nc1c([O-])cccc1Cl ZINC001193769842 1122719102 /nfs/dbraw/zinc/71/91/02/1122719102.db2.gz PATSCMXQICGNLF-UHFFFAOYSA-N -1 1 257.717 3.784 20 0 CHADMM CCC(CC)COC(=O)Nc1c(F)cc([O-])cc1F ZINC001194712831 1122796740 /nfs/dbraw/zinc/79/67/40/1122796740.db2.gz DDHCDYFLLFITIO-UHFFFAOYSA-N -1 1 273.279 3.655 20 0 CHADMM Cc1cc(C)c(NC(=O)c2c[n-]c(C(F)(F)F)n2)cc1C ZINC001194783035 1122799388 /nfs/dbraw/zinc/79/93/88/1122799388.db2.gz BCGKBHJYWFCZBO-UHFFFAOYSA-N -1 1 297.280 3.606 20 0 CHADMM O=C(Nc1ccccc1C(F)F)c1cc([O-])cnc1Cl ZINC001195308764 1122862408 /nfs/dbraw/zinc/86/24/08/1122862408.db2.gz JROVDIHFOTUORV-UHFFFAOYSA-N -1 1 298.676 3.631 20 0 CHADMM [O-]c1cccc(NC(=S)NCc2ccccc2)c1Cl ZINC001195630908 1122878562 /nfs/dbraw/zinc/87/85/62/1122878562.db2.gz APWBBJRTRGADSR-UHFFFAOYSA-N -1 1 292.791 3.532 20 0 CHADMM Cc1ccc2[nH]c(-c3cc(F)c(F)cc3[O-])nc2c1F ZINC001250967098 1122905133 /nfs/dbraw/zinc/90/51/33/1122905133.db2.gz IMCAOKSBLWMICD-UHFFFAOYSA-N -1 1 278.233 3.661 20 0 CHADMM CCC[C@@H](C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426822901 1122918220 /nfs/dbraw/zinc/91/82/20/1122918220.db2.gz GOZKZYHKNBMUDK-DOMZBBRYSA-N -1 1 289.375 3.802 20 0 CHADMM COc1cccc2c1nc(-c1ccc(Cl)c([O-])c1)n2C ZINC001251036859 1122933058 /nfs/dbraw/zinc/93/30/58/1122933058.db2.gz LEUZUQXDYXTNOK-UHFFFAOYSA-N -1 1 288.734 3.608 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2ccc(F)cc2)c(F)c1 ZINC001196949315 1122940965 /nfs/dbraw/zinc/94/09/65/1122940965.db2.gz RACGHNWJVFHQNH-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc(NC(=S)Nc2cccc(F)c2[O-])cc1 ZINC001197928001 1122973837 /nfs/dbraw/zinc/97/38/37/1122973837.db2.gz LAIQREBMNGGHMD-UHFFFAOYSA-N -1 1 276.336 3.649 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001198429044 1122991908 /nfs/dbraw/zinc/99/19/08/1122991908.db2.gz PSCJZAQNGRUEJS-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM [O-]c1c(F)cc(-c2ccc3ncccc3c2)cc1F ZINC000219375669 1123005584 /nfs/dbraw/zinc/00/55/84/1123005584.db2.gz ZGWLUQXSDKCIIW-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1c(F)cccc1NC(=S)NC1CCCCCC1 ZINC001199969516 1123049464 /nfs/dbraw/zinc/04/94/64/1123049464.db2.gz SQJWAKJPHOTOPX-UHFFFAOYSA-N -1 1 282.384 3.541 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cncc(O)c1 ZINC001201641098 1123135271 /nfs/dbraw/zinc/13/52/71/1123135271.db2.gz IPPPAQYBHVVFPO-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(C2CC2)nc1 ZINC001201718416 1123140390 /nfs/dbraw/zinc/14/03/90/1123140390.db2.gz CYJACNLDZGOAJV-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc([O-])c(F)cc1F ZINC001202247054 1123192911 /nfs/dbraw/zinc/19/29/11/1123192911.db2.gz ARVMDUNKSYZYIA-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(CSc1nc2ccccc2o1)c1ccc([O-])cc1 ZINC000015651934 1123352075 /nfs/dbraw/zinc/35/20/75/1123352075.db2.gz KIPSOKQTCUEJRW-UHFFFAOYSA-N -1 1 285.324 3.508 20 0 CHADMM CCCc1[n-]n(-c2cccc3ncccc32)c(=O)c1CC ZINC000634591237 1129119308 /nfs/dbraw/zinc/11/93/08/1129119308.db2.gz WSUFWXHZKJGNDK-LBPRGKRZSA-N -1 1 281.359 3.764 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccc(SC)cc2)c1=O ZINC000634594114 1129119835 /nfs/dbraw/zinc/11/98/35/1129119835.db2.gz LLYRWUZKEVAUAV-ZDUSSCGKSA-N -1 1 262.378 3.547 20 0 CHADMM CCCc1[n-]n(Cc2cccc3cccnc32)c(=O)c1CC ZINC000634592575 1129120227 /nfs/dbraw/zinc/12/02/27/1129120227.db2.gz NUKYNBKHQOEWEZ-OAHLLOKOSA-N -1 1 295.386 3.759 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)ccc1Cl ZINC000335732491 1123419031 /nfs/dbraw/zinc/41/90/31/1123419031.db2.gz PSFHIARRIZTBFC-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CCc1c(C)[n-]n([C@@H](C)c2ccc(Cl)cc2)c1=O ZINC000634601151 1129120982 /nfs/dbraw/zinc/12/09/82/1129120982.db2.gz DRLDLVOOMMHEPG-GWCFXTLKSA-N -1 1 264.756 3.645 20 0 CHADMM CCc1c(C)[n-]n(Cc2c(OC)ccc3ccccc32)c1=O ZINC000634630722 1129122410 /nfs/dbraw/zinc/12/24/10/1129122410.db2.gz CLRWOKCEZFQPRX-CQSZACIVSA-N -1 1 296.370 3.593 20 0 CHADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000113460996 1123459456 /nfs/dbraw/zinc/45/94/56/1123459456.db2.gz AEQHCGWFIXKYJN-CQSZACIVSA-N -1 1 297.782 3.722 20 0 CHADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000885677031 1123481421 /nfs/dbraw/zinc/48/14/21/1123481421.db2.gz ZCAQOPSUBZMMHP-MRVPVSSYSA-N -1 1 285.746 3.950 20 0 CHADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC=CCC1 ZINC000885678412 1123482823 /nfs/dbraw/zinc/48/28/23/1123482823.db2.gz OAWJYLHKAGGLKX-AWEZNQCLSA-N -1 1 283.730 3.870 20 0 CHADMM CCCC[C@](C)(F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000854885806 1123498707 /nfs/dbraw/zinc/49/87/07/1123498707.db2.gz BRVWLGIKKMBDPO-ZDUSSCGKSA-N -1 1 275.270 3.527 20 0 CHADMM CSc1cc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC001141834065 1123506298 /nfs/dbraw/zinc/50/62/98/1123506298.db2.gz RKFYBNBLCGCOAX-UHFFFAOYSA-N -1 1 299.298 3.546 20 0 CHADMM CC(C)CCc1nnc(Cc2ccc([O-])c(Cl)c2)o1 ZINC001258256541 1129127535 /nfs/dbraw/zinc/12/75/35/1129127535.db2.gz MOZXTWWHQXVVJY-UHFFFAOYSA-N -1 1 280.755 3.608 20 0 CHADMM CCCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000034420488 1123596468 /nfs/dbraw/zinc/59/64/68/1123596468.db2.gz UHDGTVHAQYUFEJ-UHFFFAOYSA-N -1 1 290.750 3.645 20 0 CHADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858460538 1123656259 /nfs/dbraw/zinc/65/62/59/1123656259.db2.gz BKSCNFSMOXKSSS-UHFFFAOYSA-N -1 1 283.803 3.854 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(Cl)ccn1 ZINC000346948809 1123735937 /nfs/dbraw/zinc/73/59/37/1123735937.db2.gz SSAGLQJJEWHNAN-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001202506751 1123820545 /nfs/dbraw/zinc/82/05/45/1123820545.db2.gz DPSRLBOBHXROOG-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM CC(C)(C)SCCCC(=O)Nc1cccc(F)c1[O-] ZINC000863010197 1123839241 /nfs/dbraw/zinc/83/92/41/1123839241.db2.gz PUTCQGXBANNTAG-UHFFFAOYSA-N -1 1 285.384 3.782 20 0 CHADMM CCCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000621247557 1129153881 /nfs/dbraw/zinc/15/38/81/1129153881.db2.gz YOIMETWMOAQUJF-OAHLLOKOSA-N -1 1 289.400 3.616 20 0 CHADMM Cc1nc(SCCC(F)(F)Cl)[n-]c(=O)c1C1CC1 ZINC000865373016 1123975573 /nfs/dbraw/zinc/97/55/73/1123975573.db2.gz CBBGJCMSYGEJPH-UHFFFAOYSA-N -1 1 294.754 3.682 20 0 CHADMM CCC[C@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455610 1124084376 /nfs/dbraw/zinc/08/43/76/1124084376.db2.gz FGPZNGOCKZJDQZ-VIFPVBQESA-N -1 1 264.300 3.560 20 0 CHADMM Cc1cc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000445452299 1124084908 /nfs/dbraw/zinc/08/49/08/1124084908.db2.gz QBHULUCXAGIVGK-UHFFFAOYSA-N -1 1 290.706 3.972 20 0 CHADMM CCCCSCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445457831 1124085662 /nfs/dbraw/zinc/08/56/62/1124085662.db2.gz UBJHVSZNVQVQJY-UHFFFAOYSA-N -1 1 296.367 3.657 20 0 CHADMM CC(C)C[C@@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482265 1124086326 /nfs/dbraw/zinc/08/63/26/1124086326.db2.gz RZUYPRVSYQKQQY-SNVBAGLBSA-N -1 1 278.327 3.806 20 0 CHADMM CC(C)N(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000193216838 1124124086 /nfs/dbraw/zinc/12/40/86/1124124086.db2.gz YEBKLCVAPVDVKM-UHFFFAOYSA-N -1 1 269.344 3.558 20 0 CHADMM CC[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871212398 1124604071 /nfs/dbraw/zinc/60/40/71/1124604071.db2.gz SQTAGLZKWUXABS-LBPRGKRZSA-N -1 1 289.297 3.571 20 0 CHADMM CC(C)(C)SCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000871671479 1124624947 /nfs/dbraw/zinc/62/49/47/1124624947.db2.gz LOECERKPIZHEDV-UHFFFAOYSA-N -1 1 280.365 3.701 20 0 CHADMM CC1(C)C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C(C)(C)O1 ZINC000528875762 1124834477 /nfs/dbraw/zinc/83/44/77/1124834477.db2.gz LNXMZLNRNFGFPE-SNVBAGLBSA-N -1 1 297.782 3.578 20 0 CHADMM COc1cnc(C=Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000821008171 1131318045 /nfs/dbraw/zinc/31/80/45/1131318045.db2.gz NRPKGCIWLQSOFO-WAYWQWQTSA-N -1 1 297.141 3.668 20 0 CHADMM COc1cnc(C=Cc2cccc3ccccc23)[n-]c1=O ZINC000821009236 1131318220 /nfs/dbraw/zinc/31/82/20/1131318220.db2.gz XTMFRMHZEXLYDA-MDZDMXLPSA-N -1 1 278.311 3.514 20 0 CHADMM CC[C@@H](C)CN(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394590 1124943945 /nfs/dbraw/zinc/94/39/45/1124943945.db2.gz YIHMPYMPWASWTC-LLVKDONJSA-N -1 1 298.814 3.623 20 0 CHADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450292722 1124972694 /nfs/dbraw/zinc/97/26/94/1124972694.db2.gz IPTYKXVLAXTCQF-KOLCDFICSA-N -1 1 267.756 3.810 20 0 CHADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450295103 1124974700 /nfs/dbraw/zinc/97/47/00/1124974700.db2.gz UYANYSBZZNOUJW-YMTOWFKASA-N -1 1 267.756 3.810 20 0 CHADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC001142234036 1125026864 /nfs/dbraw/zinc/02/68/64/1125026864.db2.gz PHRMSFBCWVVSTH-GXTWGEPZSA-N -1 1 293.382 3.868 20 0 CHADMM CC(C)CCN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000666030292 1125258646 /nfs/dbraw/zinc/25/86/46/1125258646.db2.gz MLPHPVGSXNDWBU-UHFFFAOYSA-N -1 1 298.386 3.591 20 0 CHADMM CC(=O)c1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129581689 1125343292 /nfs/dbraw/zinc/34/32/92/1125343292.db2.gz WUEKVLSQYPWZCB-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])CC(F)F ZINC000648470089 1125347784 /nfs/dbraw/zinc/34/77/84/1125347784.db2.gz HARJCLKGPVBRME-JTQLQIEISA-N -1 1 293.313 3.567 20 0 CHADMM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1[O-] ZINC000040713228 1125389261 /nfs/dbraw/zinc/38/92/61/1125389261.db2.gz MJNWRWGZAZXVQB-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])c(Cl)c1 ZINC000532620991 1125429231 /nfs/dbraw/zinc/42/92/31/1125429231.db2.gz ADGARGLWOXTIPZ-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM O=C(Nc1cc([O-])c(Cl)cc1F)NC1CCCCC1 ZINC001202615634 1125448267 /nfs/dbraw/zinc/44/82/67/1125448267.db2.gz VJLDDARBLZXRKI-UHFFFAOYSA-N -1 1 286.734 3.639 20 0 CHADMM CC(C)(C)CCCNC(=O)c1c([O-])cccc1Cl ZINC000740142226 1129411365 /nfs/dbraw/zinc/41/13/65/1129411365.db2.gz MVYVFOSEPKCOID-UHFFFAOYSA-N -1 1 269.772 3.602 20 0 CHADMM O=C(CSc1ccc(F)cc1)c1ccc([O-])cc1 ZINC000035044953 1129427481 /nfs/dbraw/zinc/42/74/81/1129427481.db2.gz MPANMCJKRQDVLR-UHFFFAOYSA-N -1 1 262.305 3.506 20 0 CHADMM Cn1ccc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241120713 1129457766 /nfs/dbraw/zinc/45/77/66/1129457766.db2.gz HXCDSKDZCFAVMF-UHFFFAOYSA-N -1 1 259.255 3.829 20 0 CHADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(C)c1C ZINC001241122227 1129461008 /nfs/dbraw/zinc/46/10/08/1129461008.db2.gz YEWRXNTZPXJVQV-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM C/C(=C/C(=O)Nc1c([O-])cccc1F)c1ccc(F)cc1 ZINC000743416219 1129523946 /nfs/dbraw/zinc/52/39/46/1129523946.db2.gz PCFKEZJNUBXILC-KTKRTIGZSA-N -1 1 289.281 3.712 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000646413354 1129535089 /nfs/dbraw/zinc/53/50/89/1129535089.db2.gz WBOXLXHXORTJMP-UHFFFAOYSA-N -1 1 299.374 3.724 20 0 CHADMM CCC(C)(C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000745775500 1129615781 /nfs/dbraw/zinc/61/57/81/1129615781.db2.gz XUXLCOYMUNGLKL-UHFFFAOYSA-N -1 1 292.375 3.507 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000648706096 1129623268 /nfs/dbraw/zinc/62/32/68/1129623268.db2.gz ZRNCJOHDKRSDGC-CQSZACIVSA-N -1 1 293.794 3.840 20 0 CHADMM CC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1O ZINC001212593598 1129746638 /nfs/dbraw/zinc/74/66/38/1129746638.db2.gz ZKULRDUIRQEQCQ-UHFFFAOYSA-N -1 1 277.707 3.697 20 0 CHADMM CCC(CC)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000654307882 1129823568 /nfs/dbraw/zinc/82/35/68/1129823568.db2.gz WHIVFEUUMGNHLV-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM CCC(CC)(CC)NC(=O)c1c([O-])cccc1Cl ZINC000769919068 1129929265 /nfs/dbraw/zinc/92/92/65/1129929265.db2.gz RGHCHLLNTOHPDC-UHFFFAOYSA-N -1 1 269.772 3.744 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC000902215381 1129989795 /nfs/dbraw/zinc/98/97/95/1129989795.db2.gz YEZXYWNTULGYPS-MRXNPFEDSA-N -1 1 287.359 3.836 20 0 CHADMM CC[C@](C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000902236715 1129992689 /nfs/dbraw/zinc/99/26/89/1129992689.db2.gz WFTZTYCFZMUKDZ-DXRVJIQQSA-N -1 1 299.370 3.792 20 0 CHADMM Cc1ccccc1[C@@H](NCc1cc(C(=O)[O-])co1)C1CC1 ZINC000902250143 1129993513 /nfs/dbraw/zinc/99/35/13/1129993513.db2.gz NNIGNIRTKVBTIN-INIZCTEOSA-N -1 1 285.343 3.527 20 0 CHADMM Cc1oc(CN[C@@H](C)c2cccc(C)c2C)cc1C(=O)[O-] ZINC000902270072 1129995202 /nfs/dbraw/zinc/99/52/02/1129995202.db2.gz MAHUHYCNAHEWLQ-LBPRGKRZSA-N -1 1 287.359 3.754 20 0 CHADMM Cc1oc(CNCc2ccc(Cl)c(C)c2)cc1C(=O)[O-] ZINC000902309190 1129999138 /nfs/dbraw/zinc/99/91/38/1129999138.db2.gz VOXQIZZCQFCWMB-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM CCOc1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242802585 1130056757 /nfs/dbraw/zinc/05/67/57/1130056757.db2.gz CFQOKRRUCSJCCS-UHFFFAOYSA-N -1 1 267.687 3.645 20 0 CHADMM Cc1nc2ccoc2c(-c2cccc([O-])c2Cl)n1 ZINC001242797673 1130048151 /nfs/dbraw/zinc/04/81/51/1130048151.db2.gz DPPAYOPEZPGGTQ-UHFFFAOYSA-N -1 1 260.680 3.557 20 0 CHADMM Nc1cnc2cc(-c3cccc([O-])c3Cl)ccc2c1 ZINC001242802258 1130056237 /nfs/dbraw/zinc/05/62/37/1130056237.db2.gz CXYNREOYCWOAAF-UHFFFAOYSA-N -1 1 270.719 3.843 20 0 CHADMM COc1ccccc1N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000678309122 1130396044 /nfs/dbraw/zinc/39/60/44/1130396044.db2.gz UWEJLWZWHGFTOS-UHFFFAOYSA-N -1 1 299.370 3.801 20 0 CHADMM COc1ccc2ccnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240694056 1130421490 /nfs/dbraw/zinc/42/14/90/1130421490.db2.gz NWPFJSKMPPFHSG-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(-c2ccccc2)n1 ZINC001240693506 1130421605 /nfs/dbraw/zinc/42/16/05/1130421605.db2.gz SPRYIALPBVKJCO-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM COc1ccc2ccc(-c3cc(F)ccc3[O-])nc2c1 ZINC001240694072 1130421615 /nfs/dbraw/zinc/42/16/15/1130421615.db2.gz OXQPIFGOLOGZPJ-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM CCOc1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240694011 1130421675 /nfs/dbraw/zinc/42/16/75/1130421675.db2.gz MEPMVHQZRSWQHF-UHFFFAOYSA-N -1 1 284.290 3.540 20 0 CHADMM Cc1cc(-c2cc(F)ccc2[O-])nc(C(F)(F)F)c1 ZINC001240694499 1130422968 /nfs/dbraw/zinc/42/29/68/1130422968.db2.gz VVSQWERUTKWSPV-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc(O)c2ccccc2c1 ZINC000792275761 1130442179 /nfs/dbraw/zinc/44/21/79/1130442179.db2.gz JBBCOIXKCHBWAX-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM [O-]c1ccc(-c2cc(Oc3ccccc3)ncn2)cc1F ZINC001240783138 1130468935 /nfs/dbraw/zinc/46/89/35/1130468935.db2.gz LXVMFQWHBIBQOF-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM CSc1nc2sccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783872 1130469164 /nfs/dbraw/zinc/46/91/64/1130469164.db2.gz ZELVNDNQBMABQQ-UHFFFAOYSA-N -1 1 292.360 3.925 20 0 CHADMM CCOC(=O)c1nc2cc(-c3cc(F)ccc3C)ccc2[n-]1 ZINC001240922619 1130518471 /nfs/dbraw/zinc/51/84/71/1130518471.db2.gz WOZZMVNATWCZFP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3cc(F)ccc3C)cc2[n-]1 ZINC001240922619 1130518475 /nfs/dbraw/zinc/51/84/75/1130518475.db2.gz WOZZMVNATWCZFP-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CC(C)C1CCC(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC001137375885 1130533342 /nfs/dbraw/zinc/53/33/42/1130533342.db2.gz FHETWLGYDRPYKB-UHFFFAOYSA-N -1 1 293.382 3.724 20 0 CHADMM CC1(C2CC2)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000812274084 1130681435 /nfs/dbraw/zinc/68/14/35/1130681435.db2.gz UBMRXQHOFKCRKZ-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CSc1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000781260301 1130712625 /nfs/dbraw/zinc/71/26/25/1130712625.db2.gz KHHRBFWMDDFOAP-UHFFFAOYSA-N -1 1 292.331 3.610 20 0 CHADMM Cc1c2[nH]cnc2ccc1-c1ccc(C=CC(=O)[O-])cc1 ZINC001235457296 1130744949 /nfs/dbraw/zinc/74/49/49/1130744949.db2.gz AJHCDGRFDLRHGO-RUDMXATFSA-N -1 1 278.311 3.636 20 0 CHADMM Cc1cccc([C@@H](C)OC(=O)c2ccc([O-])cc2F)c1 ZINC000784518679 1130909236 /nfs/dbraw/zinc/90/92/36/1130909236.db2.gz RHSLTQAISZUSNM-LLVKDONJSA-N -1 1 274.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2nc(C3CC3)nc3c2CCC3)c1[O-] ZINC001236389867 1130924948 /nfs/dbraw/zinc/92/49/48/1130924948.db2.gz FLRGRASCLMIECN-UHFFFAOYSA-N -1 1 284.334 3.663 20 0 CHADMM Cc1ccc(F)c(-c2ccc(-c3ccncc3)cn2)c1[O-] ZINC001236390413 1130925206 /nfs/dbraw/zinc/92/52/06/1130925206.db2.gz KHLNSYCCZVBNKO-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3c2CCCCC3)c1[O-] ZINC001236390716 1130925519 /nfs/dbraw/zinc/92/55/19/1130925519.db2.gz HEKPCFKVDHMQQR-UHFFFAOYSA-N -1 1 272.323 3.566 20 0 CHADMM Cc1ccc(F)c(-c2cc(C(C)(C)C)ncn2)c1[O-] ZINC001236391404 1130925818 /nfs/dbraw/zinc/92/58/18/1130925818.db2.gz NTAYOUIBWOLAFA-UHFFFAOYSA-N -1 1 260.312 3.594 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(C(F)(F)F)n1 ZINC001236394594 1130926192 /nfs/dbraw/zinc/92/61/92/1130926192.db2.gz YCSGPWQCGQELIT-UHFFFAOYSA-N -1 1 286.228 3.624 20 0 CHADMM Cc1ccc(F)c(-c2ccc3ncsc3n2)c1[O-] ZINC001236391614 1130926530 /nfs/dbraw/zinc/92/65/30/1130926530.db2.gz PQBGZLAEQZBYGT-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3ccccc3)ncn2)c1[O-] ZINC001236391471 1130926592 /nfs/dbraw/zinc/92/65/92/1130926592.db2.gz OCSYBXDWLDFEEM-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM O=C(NCC1CCCCCCC1)c1c(F)ccc([O-])c1F ZINC000798163926 1131026826 /nfs/dbraw/zinc/02/68/26/1131026826.db2.gz PHMNZXWXRJOMTD-UHFFFAOYSA-N -1 1 297.345 3.761 20 0 CHADMM CC(F)(F)C(=O)[N-]C1(c2c(Cl)cccc2Cl)CC1 ZINC000815795551 1131027023 /nfs/dbraw/zinc/02/70/23/1131027023.db2.gz SAICQOCDKBEEOL-UHFFFAOYSA-N -1 1 294.128 3.754 20 0 CHADMM CCCn1cc([N-]c2nc(C3CCCC3)ns2)cn1 ZINC000817118479 1131143899 /nfs/dbraw/zinc/14/38/99/1131143899.db2.gz RIKWAADDCAROCG-UHFFFAOYSA-N -1 1 277.397 3.546 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncsc1C1CC1 ZINC001138014823 1131450546 /nfs/dbraw/zinc/45/05/46/1131450546.db2.gz DDSGXOREAKVSRV-UHFFFAOYSA-N -1 1 294.763 3.632 20 0 CHADMM CCCC[C@](C)(F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000830776746 1131467677 /nfs/dbraw/zinc/46/76/77/1131467677.db2.gz VLBNAKOMTHBZCJ-ZDUSSCGKSA-N -1 1 273.735 3.903 20 0 CHADMM CCc1cccc(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001202877410 1131560049 /nfs/dbraw/zinc/56/00/49/1131560049.db2.gz OWCQCEQCOWOIAV-UHFFFAOYSA-N -1 1 291.738 3.647 20 0 CHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC001144162460 1131593910 /nfs/dbraw/zinc/59/39/10/1131593910.db2.gz NBWVRNNUPFJYBL-OAHLLOKOSA-N -1 1 291.297 3.552 20 0 CHADMM [O-]c1cc(F)c(CN2CCCc3ccccc3C2)c(F)c1 ZINC001144555133 1131656853 /nfs/dbraw/zinc/65/68/53/1131656853.db2.gz WQMIOLDTDIXJAT-UHFFFAOYSA-N -1 1 289.325 3.619 20 0 CHADMM C/C(=C/CN([C@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239607 1131703350 /nfs/dbraw/zinc/70/33/50/1131703350.db2.gz SNACIFRRQJZTGF-UCQJPZFISA-N -1 1 293.794 3.896 20 0 CHADMM C/C(=C/C[N@H+](C)Cc1oc2c(cccc2C)c1C)C(=O)[O-] ZINC000846291953 1131704960 /nfs/dbraw/zinc/70/49/60/1131704960.db2.gz WDVOMHGNFOTGMC-WQLSENKSSA-N -1 1 287.359 3.512 20 0 CHADMM Cc1ccc([C@H](C)Oc2[n-]c(=S)nc3cnccc32)cn1 ZINC001227885024 1131759129 /nfs/dbraw/zinc/75/91/29/1131759129.db2.gz KJATWLPJGAAXLM-JTQLQIEISA-N -1 1 298.371 3.531 20 0 CHADMM CC1(C)[C@@H]2C[C@@H](Oc3[n-]c(=S)nc4cnccc43)C[C@@H]21 ZINC001227886054 1131759727 /nfs/dbraw/zinc/75/97/27/1131759727.db2.gz QAQUEMAZYAGKLJ-UIKWRGBMSA-N -1 1 287.388 3.501 20 0 CHADMM C/C(=C\C(=O)Nc1c([O-])cccc1F)c1cccs1 ZINC001146492213 1131789208 /nfs/dbraw/zinc/78/92/08/1131789208.db2.gz JWTUBZLHYZXWRK-CMDGGOBGSA-N -1 1 277.320 3.635 20 0 CHADMM CC[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001147262283 1131817654 /nfs/dbraw/zinc/81/76/54/1131817654.db2.gz JDIGWCRVMQUTTD-WCQYABFASA-N -1 1 295.810 3.673 20 0 CHADMM C[C@H]1N(C(=O)c2ccc([O-])cc2F)c2ccccc2C1(C)C ZINC001147347108 1131819049 /nfs/dbraw/zinc/81/90/49/1131819049.db2.gz APXDEEDEINNSRD-LLVKDONJSA-N -1 1 299.345 3.858 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1OC1CCC1 ZINC001228184919 1131826216 /nfs/dbraw/zinc/82/62/16/1131826216.db2.gz ZMTJUPZBJRCPEB-UHFFFAOYSA-N -1 1 268.312 3.555 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)CCC(C)C ZINC001228554423 1131908497 /nfs/dbraw/zinc/90/84/97/1131908497.db2.gz IPQBDJKTSSZECQ-LLVKDONJSA-N -1 1 280.364 3.894 20 0 CHADMM CC1(C)CCC(Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229128882 1132022811 /nfs/dbraw/zinc/02/28/11/1132022811.db2.gz DZEMIRSRCIOGGJ-UHFFFAOYSA-N -1 1 288.343 3.846 20 0 CHADMM C[C@@H]1C[C@H](Oc2cc([O-])c(Cl)cc2Cl)CCO1 ZINC001229405855 1132063373 /nfs/dbraw/zinc/06/33/73/1132063373.db2.gz CAYANVWMZXYMBA-HTQZYQBOSA-N -1 1 277.147 3.645 20 0 CHADMM CCC(=O)[C@@H](CC)Oc1cc([O-])c(Cl)cc1Cl ZINC001229406582 1132063758 /nfs/dbraw/zinc/06/37/58/1132063758.db2.gz ZWKHJRIXFWLHQI-LLVKDONJSA-N -1 1 277.147 3.836 20 0 CHADMM C[C@@H]1COCC[C@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229405891 1132064174 /nfs/dbraw/zinc/06/41/74/1132064174.db2.gz CVCROUVUOANMAD-RDDDGLTNSA-N -1 1 277.147 3.503 20 0 CHADMM [O-]c1cc(OC[C@H]2CCCCO2)c(Cl)cc1Cl ZINC001229410150 1132064536 /nfs/dbraw/zinc/06/45/36/1132064536.db2.gz IKULECXUTVMBGP-MRVPVSSYSA-N -1 1 277.147 3.647 20 0 CHADMM [O-]c1cc(OC2CC(F)(F)C2)c(Cl)cc1Cl ZINC001229410402 1132064600 /nfs/dbraw/zinc/06/46/00/1132064600.db2.gz KFXZOTMUFPWOFM-UHFFFAOYSA-N -1 1 269.074 3.876 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)[C@@H](C)CC ZINC001229475388 1132072392 /nfs/dbraw/zinc/07/23/92/1132072392.db2.gz VUEHWRDITHBJAI-WDEREUQCSA-N -1 1 250.338 3.798 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCc2ccccc2C1 ZINC001229477899 1132073252 /nfs/dbraw/zinc/07/32/52/1132073252.db2.gz QZBPTTJCRZAFGH-INIZCTEOSA-N -1 1 296.366 3.921 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CC2CCC1CC2 ZINC001229475262 1132073672 /nfs/dbraw/zinc/07/36/72/1132073672.db2.gz SBRNMUAPNZPRSL-ZEPSKSRBSA-N -1 1 274.360 3.942 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)CC(C)(C)OC ZINC001229478271 1132073759 /nfs/dbraw/zinc/07/37/59/1132073759.db2.gz UQBVQQSMOTWADL-NSHDSACASA-N -1 1 280.364 3.567 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C(C)C)C(F)(F)F ZINC001229475239 1132074101 /nfs/dbraw/zinc/07/41/01/1132074101.db2.gz RJYAQIJAMOVPTB-ZDUSSCGKSA-N -1 1 290.281 3.951 20 0 CHADMM O=C(/C=C\c1ccc(Cl)s1)Nc1cccc(F)c1[O-] ZINC001171637190 1132080379 /nfs/dbraw/zinc/08/03/79/1132080379.db2.gz MBBVTTPJJNHRBD-ALCCZGGFSA-N -1 1 297.738 3.898 20 0 CHADMM Cc1ccc2occ(CC(=O)Nc3cccc(F)c3[O-])c2c1 ZINC001171637705 1132082693 /nfs/dbraw/zinc/08/26/93/1132082693.db2.gz QBIIMJGTOYEQJG-UHFFFAOYSA-N -1 1 299.301 3.767 20 0 CHADMM COC(=O)c1cc(Nc2ccc(F)c(F)c2[O-])ccc1C ZINC001212627850 1132102488 /nfs/dbraw/zinc/10/24/88/1132102488.db2.gz ABVVYWAIXVSFJW-UHFFFAOYSA-N -1 1 293.269 3.509 20 0 CHADMM Cc1cccc(C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141834078 1132254696 /nfs/dbraw/zinc/25/46/96/1132254696.db2.gz RUSJRKBFPVYTNC-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM [O-]c1cccnc1-c1ncccc1O[C@H]1CCCC[C@@H]1F ZINC001231204747 1132271206 /nfs/dbraw/zinc/27/12/06/1132271206.db2.gz SWUUCLDZFBGLOZ-AAEUAGOBSA-N -1 1 288.322 3.509 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H]1C=CCC1 ZINC001231231263 1132274521 /nfs/dbraw/zinc/27/45/21/1132274521.db2.gz SZYDPBSUEBXTKV-HNNXBMFYSA-N -1 1 280.323 3.721 20 0 CHADMM [O-]c1cc(CN2CCC[C@H](C(F)(F)F)C2)ccc1Cl ZINC001231738640 1132349962 /nfs/dbraw/zinc/34/99/62/1132349962.db2.gz RXYBHNOUQFWYNA-JTQLQIEISA-N -1 1 293.716 3.820 20 0 CHADMM Cc1cccc2c1CN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001231733257 1132350369 /nfs/dbraw/zinc/35/03/69/1132350369.db2.gz PGYVANDRUMRJGQ-UHFFFAOYSA-N -1 1 273.763 3.870 20 0 CHADMM CC(=O)Nc1ccc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001212705232 1132396521 /nfs/dbraw/zinc/39/65/21/1132396521.db2.gz YAASAUIGMGGCBI-UHFFFAOYSA-N -1 1 296.248 3.512 20 0 CHADMM CC1(C)[C@@H]2CN(Cc3ccc(Cl)c([O-])c3Cl)C[C@@H]21 ZINC001232628957 1132498968 /nfs/dbraw/zinc/49/89/68/1132498968.db2.gz ZHVWTSCZRFASNC-AOOOYVTPSA-N -1 1 286.202 3.787 20 0 CHADMM CSc1ccc([O-])c(C(=O)N(C)c2ccc(C)cc2)c1 ZINC001143106635 1132503327 /nfs/dbraw/zinc/50/33/27/1132503327.db2.gz ORHUFTPIKNGJGQ-UHFFFAOYSA-N -1 1 287.384 3.699 20 0 CHADMM CCc1nc2ccc(NC(=O)c3ccccc3[O-])cc2s1 ZINC001143189782 1132516060 /nfs/dbraw/zinc/51/60/60/1132516060.db2.gz AUQUSJAZKRKHAT-UHFFFAOYSA-N -1 1 298.367 3.817 20 0 CHADMM CN(Cc1ccccc1Cl)Cc1ccc(F)c([O-])c1F ZINC001232935478 1132544625 /nfs/dbraw/zinc/54/46/25/1132544625.db2.gz LFJNYAUZGVBIHW-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM [O-]c1cnc(Cl)cc1CN1Cc2cccc(Cl)c2C1 ZINC001233039035 1132564485 /nfs/dbraw/zinc/56/44/85/1132564485.db2.gz LKARQLZAHXHJFP-UHFFFAOYSA-N -1 1 295.169 3.610 20 0 CHADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001173863229 1132564793 /nfs/dbraw/zinc/56/47/93/1132564793.db2.gz FZSGUHLTWCAFMX-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CC1(C)CC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000132946988 1132589823 /nfs/dbraw/zinc/58/98/23/1132589823.db2.gz AQTLLJGBLXGHRM-CQSZACIVSA-N -1 1 283.371 3.854 20 0 CHADMM C[C@@H]1CCCCN(C(=O)c2c([O-])ccc3ccccc32)C1 ZINC001153499408 1132594911 /nfs/dbraw/zinc/59/49/11/1132594911.db2.gz VRMXMKIELOYNMC-CYBMUJFWSA-N -1 1 283.371 3.808 20 0 CHADMM CC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001173900627 1132604829 /nfs/dbraw/zinc/60/48/29/1132604829.db2.gz UHIYGHSYZGTVJL-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)cc(F)c1 ZINC001173914460 1132610112 /nfs/dbraw/zinc/61/01/12/1132610112.db2.gz MTBYRLBRESKLTC-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM Cc1cc(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001173967332 1132637474 /nfs/dbraw/zinc/63/74/74/1132637474.db2.gz CRLPHFWINYDYFC-UHFFFAOYSA-N -1 1 283.306 3.769 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc(F)c1F ZINC001173948133 1132655145 /nfs/dbraw/zinc/65/51/45/1132655145.db2.gz LYSUKMXQYGQUMG-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM [O-]c1cc(Nc2cc(F)ccc2F)cc(F)c1F ZINC001173950394 1132657233 /nfs/dbraw/zinc/65/72/33/1132657233.db2.gz CSMXIOZRNLDQDT-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM COc1ccc(C)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001173984872 1132663124 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COc1ccc(-c2nc(-c3ccc(C)c(C)c3)no2)c([O-])c1 ZINC001215147616 1134601648 /nfs/dbraw/zinc/60/16/48/1134601648.db2.gz GRFIJBIVTZVCFF-UHFFFAOYSA-N -1 1 296.326 3.735 20 0 CHADMM Cc1cc(F)c(Nc2cc(F)c([O-])cc2F)cc1O ZINC001215573341 1134644695 /nfs/dbraw/zinc/64/46/95/1134644695.db2.gz GFCLLAMFFUFNSE-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM O=C1CCc2c1cccc2Nc1cc(F)c([O-])cc1F ZINC001215573476 1134644995 /nfs/dbraw/zinc/64/49/95/1134644995.db2.gz KZEJEVYZFNLAKM-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM Nc1cc(Cl)cc(F)c1Nc1cc(F)c([O-])cc1F ZINC001215576386 1134645916 /nfs/dbraw/zinc/64/59/16/1134645916.db2.gz YJSYPYPRQQFALR-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3cnoc32)cc1F ZINC001215575644 1134646320 /nfs/dbraw/zinc/64/63/20/1134646320.db2.gz CBCXSQNOGDDQIB-UHFFFAOYSA-N -1 1 262.215 3.555 20 0 CHADMM COc1cc([N-]c2nnc(-c3ccco3)o2)cc(C)c1F ZINC001215700504 1134661605 /nfs/dbraw/zinc/66/16/05/1134661605.db2.gz LEEJAKQGDCBCAY-UHFFFAOYSA-N -1 1 289.266 3.529 20 0 CHADMM 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328207566 /nfs/dbraw/zinc/20/75/66/328207566.db2.gz QVUAAANNNPBVFG-UHFFFAOYSA-N -1 1 297.782 3.507 20 0 CHADMM [O-]c1c(-c2nc(-c3ccco3)no2)ccc2ccccc21 ZINC000111688281 328374744 /nfs/dbraw/zinc/37/47/44/328374744.db2.gz SIHFYDCIUAXQED-UHFFFAOYSA-N -1 1 278.267 3.855 20 0 CHADMM CCCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012318 328389066 /nfs/dbraw/zinc/38/90/66/328389066.db2.gz HRGNOUVAJUFOHL-UHFFFAOYSA-N -1 1 273.307 3.736 20 0 CHADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012468 328389511 /nfs/dbraw/zinc/38/95/11/328389511.db2.gz VZZLMDITECYRDA-ZDUSSCGKSA-N -1 1 287.334 3.739 20 0 CHADMM CCN(Cc1cccs1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000584296651 327227816 /nfs/dbraw/zinc/22/78/16/327227816.db2.gz AZGMJZWZMXMDMP-SNVBAGLBSA-N -1 1 293.388 3.931 20 0 CHADMM CCN(Cc1cccs1)[C@@H](C(=O)[O-])c1ccccc1C ZINC000584296852 327227897 /nfs/dbraw/zinc/22/78/97/327227897.db2.gz KWWJSSTWESOPKI-OAHLLOKOSA-N -1 1 289.400 3.704 20 0 CHADMM CCc1cccc(CC(=O)Nc2ccc([O-])c(Cl)c2)c1 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COC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCC1 ZINC000514691970 329710440 /nfs/dbraw/zinc/71/04/40/329710440.db2.gz RGTHAFYVPKDHGL-UHFFFAOYSA-N -1 1 294.738 3.511 20 0 CHADMM COc1cc(C)ccc1NCc1cccc([O-])c1Cl ZINC000393285030 329914071 /nfs/dbraw/zinc/91/40/71/329914071.db2.gz OTXFANHTHHOGFH-UHFFFAOYSA-N -1 1 277.751 3.975 20 0 CHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)[C@H]1C ZINC000399581478 330242923 /nfs/dbraw/zinc/24/29/23/330242923.db2.gz RTHGBBVNLAIVAM-AGIUHOORSA-N -1 1 283.371 3.662 20 0 CHADMM CC(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000071029112 330324579 /nfs/dbraw/zinc/32/45/79/330324579.db2.gz WSBAMPKELVQMBQ-GFCCVEGCSA-N -1 1 295.810 3.944 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccccc3F)n2)c(Cl)c1 ZINC000445447861 330365552 /nfs/dbraw/zinc/36/55/52/330365552.db2.gz UFCUIDFCJMWJTL-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM [O-]c1ccc(-c2noc(Cc3cccs3)n2)c(Cl)c1 ZINC000445448999 330374156 /nfs/dbraw/zinc/37/41/56/330374156.db2.gz NBPGJCILQNYRLQ-UHFFFAOYSA-N -1 1 292.747 3.748 20 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269.772 3.554 20 0 CHADMM CC(C)(C)CCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000311279534 333066628 /nfs/dbraw/zinc/06/66/28/333066628.db2.gz UYQKUZIXMPXKRE-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000088707580 333091422 /nfs/dbraw/zinc/09/14/22/333091422.db2.gz JODIDROUEKJEHL-QWHCGFSZSA-N -1 1 283.371 3.806 20 0 CHADMM CC[C@H](CC(=O)N=c1cc(-c2cccs2)[n-][nH]1)C(C)C ZINC000517096482 333092609 /nfs/dbraw/zinc/09/26/09/333092609.db2.gz BUENIXUYNYMKPB-LLVKDONJSA-N -1 1 291.420 3.571 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc3ncccc3c2)n1 ZINC000521529429 333176696 /nfs/dbraw/zinc/17/66/96/333176696.db2.gz BALDPXBHTAUDCM-UHFFFAOYSA-N -1 1 297.383 3.585 20 0 CHADMM O=C(CC1=CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000521646431 333180914 /nfs/dbraw/zinc/18/09/14/333180914.db2.gz SELWKPVCEQCKHP-UHFFFAOYSA-N -1 1 297.358 3.611 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000124888140 333561996 /nfs/dbraw/zinc/56/19/96/333561996.db2.gz TWVLQYQPTXNVTG-WMLDXEAASA-N -1 1 295.382 3.950 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000132977580 334012119 /nfs/dbraw/zinc/01/21/19/334012119.db2.gz NCBSSANXLHMJLS-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM C[C@@H]1CCC[C@H](c2noc(-c3cc(F)ccc3[O-])n2)C1 ZINC000132986384 334012325 /nfs/dbraw/zinc/01/23/25/334012325.db2.gz SAYPTGBKFJHCTJ-ZJUUUORDSA-N -1 1 276.311 3.875 20 0 CHADMM CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000079053743 334146788 /nfs/dbraw/zinc/14/67/88/334146788.db2.gz DYBHOXYWPPUHGH-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM COc1cc(-c2nc3cnccc3s2)cc(Cl)c1[O-] ZINC000549123308 334185631 /nfs/dbraw/zinc/18/56/31/334185631.db2.gz JTMVDMJACIQPFZ-UHFFFAOYSA-N -1 1 292.747 3.726 20 0 CHADMM O=C(CCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000082192535 334223570 /nfs/dbraw/zinc/22/35/70/334223570.db2.gz NDPJJJCGYGUYAV-UHFFFAOYSA-N -1 1 275.735 3.617 20 0 CHADMM CC(C)CCc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000550647690 334226055 /nfs/dbraw/zinc/22/60/55/334226055.db2.gz 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/nfs/dbraw/zinc/72/74/77/534727477.db2.gz SOIGOEWNYXJFQO-UHFFFAOYSA-N -1 1 281.355 3.560 20 0 CHADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000055482098 524129477 /nfs/dbraw/zinc/12/94/77/524129477.db2.gz KVUXFKAETFKFCC-MFKMUULPSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000151844257 526079891 /nfs/dbraw/zinc/07/98/91/526079891.db2.gz OKGDOTIVAGQTDM-SNVBAGLBSA-N -1 1 296.775 3.581 20 0 CHADMM CCSc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000344402201 529249592 /nfs/dbraw/zinc/24/95/92/529249592.db2.gz DYANJZWBQPWXSF-UHFFFAOYSA-N -1 1 291.347 3.896 20 0 CHADMM O=C([O-])c1ccc(CN(Cc2ccccc2F)C2CC2)cc1 ZINC000740123841 600069265 /nfs/dbraw/zinc/06/92/65/600069265.db2.gz OBFSVNUAGATMIM-UHFFFAOYSA-N -1 1 299.345 3.689 20 0 CHADMM O=C([O-])[C@H](NCc1cc2ccccc2s1)c1ccccc1 ZINC000426785519 600428583 /nfs/dbraw/zinc/42/85/83/600428583.db2.gz XVRYBIICKQSHJV-MRXNPFEDSA-N -1 1 297.379 3.817 20 0 CHADMM C[C@H]1CCN(Cc2ccoc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000569111459 600861791 /nfs/dbraw/zinc/86/17/91/600861791.db2.gz UCUGCMMIPGMREH-AAEUAGOBSA-N -1 1 289.331 3.544 20 0 CHADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H](c2ccco2)C1 ZINC000578329853 600862109 /nfs/dbraw/zinc/86/21/09/600862109.db2.gz PZPDLXDCDBMVDJ-FZMZJTMJSA-N -1 1 289.331 3.544 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cc2ccccc2o1 ZINC000833024525 601120086 /nfs/dbraw/zinc/12/00/86/601120086.db2.gz IXRKSIITDPQTSL-UHFFFAOYSA-N -1 1 299.326 3.664 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(CC)Cc1cccs1 ZINC000652379537 601411124 /nfs/dbraw/zinc/41/11/24/601411124.db2.gz TXJFTCNKXMBZNC-UHFFFAOYSA-N -1 1 293.388 3.624 20 0 CHADMM C[C@H](c1ccco1)[N@@H+](Cc1ccsc1C(=O)[O-])C1CC1 ZINC000584724307 601492629 /nfs/dbraw/zinc/49/26/29/601492629.db2.gz AOTLHUHAVGAZMY-SNVBAGLBSA-N -1 1 291.372 3.765 20 0 CHADMM C[C@H](c1ccco1)N(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000584724307 601492632 /nfs/dbraw/zinc/49/26/32/601492632.db2.gz AOTLHUHAVGAZMY-SNVBAGLBSA-N -1 1 291.372 3.765 20 0 CHADMM C[C@H]1c2ccsc2CCN1Cc1ccsc1C(=O)[O-] ZINC000110956441 601805233 /nfs/dbraw/zinc/80/52/33/601805233.db2.gz IKXVDLNNZOOBSE-VIFPVBQESA-N -1 1 293.413 3.627 20 0 CHADMM Cc1ccc(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000652387603 601942052 /nfs/dbraw/zinc/94/20/52/601942052.db2.gz BFTVJKNDCYSUBS-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM C/C(=C/CN1CCCC[C@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740777 604452762 /nfs/dbraw/zinc/45/27/62/604452762.db2.gz AYMMDZDHEABZTK-QARUFBMTSA-N -1 1 295.329 3.523 20 0 CHADMM C/C(=C/c1ccccc1)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833386819 604634399 /nfs/dbraw/zinc/63/43/99/604634399.db2.gz TYMPCRLPEMATSD-ZROIWOOFSA-N -1 1 293.366 3.804 20 0 CHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000050925369 948921347 /nfs/dbraw/zinc/92/13/47/948921347.db2.gz IIEGWYBTTNABIP-NSHDSACASA-N -1 1 299.773 3.698 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC000381915265 971787961 /nfs/dbraw/zinc/78/79/61/971787961.db2.gz NRQSFDGABJNPHB-NSHDSACASA-N -1 1 289.762 3.889 20 0 CHADMM CC(C)(C)C1=CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000382548722 971821040 /nfs/dbraw/zinc/82/10/40/971821040.db2.gz RDZQPCMLCYRJCK-UHFFFAOYSA-N -1 1 291.366 3.702 20 0 CHADMM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000050507849 957492939 /nfs/dbraw/zinc/49/29/39/957492939.db2.gz ALQXMTMTCIVTLY-SMDDNHRTSA-N -1 1 275.373 3.533 20 0 CHADMM CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC000062751031 957608863 /nfs/dbraw/zinc/60/88/63/957608863.db2.gz LJWDEYYFBSRDCN-UHFFFAOYSA-N -1 1 287.334 3.546 20 0 CHADMM C[C@H](NCc1cc(C(=O)[O-])cs1)c1ccccc1Cl ZINC000095004379 958324846 /nfs/dbraw/zinc/32/48/46/958324846.db2.gz NMZCPZHWAOJDKT-VIFPVBQESA-N -1 1 295.791 3.951 20 0 CHADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])co2)c(C)s1 ZINC000228164663 959997573 /nfs/dbraw/zinc/99/75/73/959997573.db2.gz ZVCVUBQYGMYKSW-SECBINFHSA-N -1 1 279.361 3.507 20 0 CHADMM C[C@H](c1cccc(Cl)c1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001573736210 960438535 /nfs/dbraw/zinc/43/85/35/960438535.db2.gz RSRIJZDTDQJJBQ-CKYFFXLPSA-N -1 1 299.773 3.583 20 0 CHADMM CC(C)(C)c1ccc(CNCc2cccc(C(=O)[O-])c2)o1 ZINC001353922011 969780827 /nfs/dbraw/zinc/78/08/27/969780827.db2.gz LLVQUMVJXWDXMX-UHFFFAOYSA-N -1 1 287.359 3.565 20 0 CHADMM CC(C)c1ccc2c(c1)CN(Cc1occc1C(=O)[O-])CC2 ZINC001591981689 976598711 /nfs/dbraw/zinc/59/87/11/976598711.db2.gz XITGXWFHPLPLQQ-UHFFFAOYSA-N -1 1 299.370 3.660 20 0 CHADMM O=C([O-])c1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000901660292 980431693 /nfs/dbraw/zinc/43/16/93/980431693.db2.gz IRGIKJSVCWWAAL-UHFFFAOYSA-N -1 1 285.343 3.535 20 0 CHADMM CCCCC[C@@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901723575 980465459 /nfs/dbraw/zinc/46/54/59/980465459.db2.gz YSMBSJZCZYZBRB-DGCLKSJQSA-N -1 1 290.363 3.512 20 0 CHADMM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cccs1 ZINC001595363232 980779733 /nfs/dbraw/zinc/77/97/33/980779733.db2.gz YWLPDWPPFPDKQD-HNNXBMFYSA-N -1 1 289.400 3.786 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(C(C)C)c1 ZINC000902354882 980849030 /nfs/dbraw/zinc/84/90/30/980849030.db2.gz MXBNUWMRRHGTSX-UHFFFAOYSA-N -1 1 287.359 3.699 20 0 CHADMM CC(C)c1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])co1)CC2 ZINC000902440986 980887939 /nfs/dbraw/zinc/88/79/39/980887939.db2.gz DHJJLOOCQYUWNB-QGZVFWFLSA-N -1 1 299.370 3.878 20 0 CHADMM CCCC[C@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC001595637878 981936845 /nfs/dbraw/zinc/93/68/45/981936845.db2.gz WQTNWVWZGYFUSB-JQWIXIFHSA-N -1 1 292.404 3.590 20 0 CHADMM CC[C@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001597349768 987487923 /nfs/dbraw/zinc/48/79/23/987487923.db2.gz YGXFTFYMWVVXOL-RISCZKNCSA-N -1 1 273.332 3.780 20 0 CHADMM C[C@@H](c1ccccc1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001593711119 996211808 /nfs/dbraw/zinc/21/18/08/996211808.db2.gz PRSYJHDUQMOOBK-OEYXZAGESA-N -1 1 285.343 3.570 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(C(F)(F)F)no2)c1F ZINC001176663986 1121672169 /nfs/dbraw/zinc/67/21/69/1121672169.db2.gz QKJQPSRNKFSHEC-UHFFFAOYSA-N -1 1 298.142 3.560 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2Cl)c1F ZINC001176662401 1121677274 /nfs/dbraw/zinc/67/72/74/1121677274.db2.gz OIZNEZVLJNDKHS-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CC[C@H]1CCCC[C@@H]1Oc1cc([O-])ccc1C(C)=O ZINC001225616590 1122033415 /nfs/dbraw/zinc/03/34/15/1122033415.db2.gz MPZUEWQQZKKZKY-WFASDCNBSA-N -1 1 262.349 3.942 20 0 CHADMM CC(C)(C)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000112021610 1123478127 /nfs/dbraw/zinc/47/81/27/1123478127.db2.gz XVBWHUDFFLVGGF-LLVKDONJSA-N -1 1 273.298 3.842 20 0 CHADMM CC/C(C)=C(/C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675800 1123480676 /nfs/dbraw/zinc/48/06/76/1123480676.db2.gz BCTJUNBRGPGZEU-FPLPWBNLSA-N -1 1 271.719 3.870 20 0 CHADMM CCCC[C@@H](CCC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858435243 1123653699 /nfs/dbraw/zinc/65/36/99/1123653699.db2.gz CRHOPGYVJUFGDX-SECBINFHSA-N -1 1 257.765 3.606 20 0 CHADMM Cc1sc(C)c2c1[n-]c([C@@H]1CCC(F)(F)C1)nc2=O ZINC000864355433 1123924041 /nfs/dbraw/zinc/92/40/41/1123924041.db2.gz MOWLQKTVPBXQND-MRVPVSSYSA-N -1 1 284.331 3.917 20 0 CHADMM Cc1nc(SC[C@@H]2CCC[C@H](C)C2)[n-]c(=O)c1C ZINC001165916616 1133254311 /nfs/dbraw/zinc/25/43/11/1133254311.db2.gz AVZPGEXSFMPAFZ-JOYOIKCWSA-N -1 1 266.410 3.717 20 0 CHADMM CCOc1ncccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484219 1134543603 /nfs/dbraw/zinc/54/36/03/1134543603.db2.gz GEGSADVHGZHRNA-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(Cl)ncc2[O-])c1C ZINC001202695501 1125514764 /nfs/dbraw/zinc/51/47/64/1125514764.db2.gz UQOSMGFVMHVNMS-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(F)c([O-])cc2F)c1C ZINC001202706018 1125524082 /nfs/dbraw/zinc/52/40/82/1125524082.db2.gz RRPACYOMAFCASU-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885680720 1125620375 /nfs/dbraw/zinc/62/03/75/1125620375.db2.gz WVMNIFFZVYQYAG-IUCAKERBSA-N -1 1 283.730 3.559 20 0 CHADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680076 1125620418 /nfs/dbraw/zinc/62/04/18/1125620418.db2.gz LICDKBOOWAGRMG-BDAKNGLRSA-N -1 1 285.746 3.950 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCC12CC2 ZINC000885679863 1125620880 /nfs/dbraw/zinc/62/08/80/1125620880.db2.gz HUHJHGLQKSDRIP-QMMMGPOBSA-N -1 1 283.730 3.704 20 0 CHADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325108 1125627922 /nfs/dbraw/zinc/62/79/22/1125627922.db2.gz QUEHMXSEXSCCBM-LLVKDONJSA-N -1 1 283.799 3.990 20 0 CHADMM CCCCC[C@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001253540617 1125729071 /nfs/dbraw/zinc/72/90/71/1125729071.db2.gz BKMOXNPAPOJPNL-VIFPVBQESA-N -1 1 275.751 3.538 20 0 CHADMM CCC(CC)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769748140 1129924460 /nfs/dbraw/zinc/92/44/60/1129924460.db2.gz AHZDOPFDOZFMIC-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM COc1ccc(-c2cccc([O-])c2Cl)c(F)c1F ZINC001242799770 1130050666 /nfs/dbraw/zinc/05/06/66/1130050666.db2.gz BNKHDOGXAVBSTO-UHFFFAOYSA-N -1 1 270.662 3.999 20 0 CHADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183607985 1126889474 /nfs/dbraw/zinc/88/94/74/1126889474.db2.gz ZZCIGIJZCCHNCF-ZYHUDNBSSA-N -1 1 297.782 3.579 20 0 CHADMM CC(C)(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000266515066 1126983050 /nfs/dbraw/zinc/98/30/50/1126983050.db2.gz IPCJZHJXUGTLJP-UHFFFAOYSA-N -1 1 294.738 3.583 20 0 CHADMM CCC[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909984902 1127041606 /nfs/dbraw/zinc/04/16/06/1127041606.db2.gz CEACWQVKNQIWCM-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM CCc1onc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271409606 1127078816 /nfs/dbraw/zinc/07/88/16/1127078816.db2.gz LJRBDDMTZUEQPG-UHFFFAOYSA-N -1 1 288.347 3.627 20 0 CHADMM CCc1cc(=O)[n-]c(SCC2CCC(C)CC2)n1 ZINC000570388421 1127093905 /nfs/dbraw/zinc/09/39/05/1127093905.db2.gz ZCGNHGMDKVOAHC-UHFFFAOYSA-N -1 1 266.410 3.663 20 0 CHADMM O=C(CC1CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339121976 1127114191 /nfs/dbraw/zinc/11/41/91/1127114191.db2.gz GQGGUUACFHKITP-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM CC(C)C[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348847646 1127131177 /nfs/dbraw/zinc/13/11/77/1127131177.db2.gz KVVDDAXABIHROC-LLVKDONJSA-N -1 1 297.345 3.569 20 0 CHADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC001299360477 1127147586 /nfs/dbraw/zinc/14/75/86/1127147586.db2.gz IGSJYLXPACDBAP-DGCLKSJQSA-N -1 1 293.794 3.602 20 0 CHADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1c([O-])cccc1Cl ZINC001299360489 1127148338 /nfs/dbraw/zinc/14/83/38/1127148338.db2.gz IKIIQYKPOFIRKF-NEPJUHHUSA-N -1 1 293.794 3.602 20 0 CHADMM CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001299372875 1127169195 /nfs/dbraw/zinc/16/91/95/1127169195.db2.gz GTLBEZTYFIPZHC-JSGCOSHPSA-N -1 1 293.382 3.868 20 0 CHADMM Cc1ccc([C@@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])cc1 ZINC000572008433 1127190951 /nfs/dbraw/zinc/19/09/51/1127190951.db2.gz WTXVAKVMRMEROD-HNNXBMFYSA-N -1 1 285.343 3.623 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1csnc1C ZINC000362190483 1127617970 /nfs/dbraw/zinc/61/79/70/1127617970.db2.gz QEYREYYAONHDGO-UHFFFAOYSA-N -1 1 296.392 3.955 20 0 CHADMM O=C(CCc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000605435370 1127735995 /nfs/dbraw/zinc/73/59/95/1127735995.db2.gz FNTVXZKMNLTXPN-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)cc1F ZINC000605436680 1127736456 /nfs/dbraw/zinc/73/64/56/1127736456.db2.gz LUCWYPMJCUSLHH-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440021 1127736991 /nfs/dbraw/zinc/73/69/91/1127736991.db2.gz ZTYZMUYEATWFTB-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM Cc1ccccc1SCC(=O)Nc1c([O-])cccc1F ZINC000605440221 1127737195 /nfs/dbraw/zinc/73/71/95/1127737195.db2.gz MVTOJSBDIFPYJC-UHFFFAOYSA-N -1 1 291.347 3.571 20 0 CHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)CC(C)(C)C ZINC000608365168 1127862471 /nfs/dbraw/zinc/86/24/71/1127862471.db2.gz ABRJONIKYZVODJ-SNVBAGLBSA-N -1 1 267.344 3.932 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc2cc(F)ccc2o1 ZINC000608366389 1127862691 /nfs/dbraw/zinc/86/26/91/1127862691.db2.gz JHWZLTXTPZPNIH-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cc2ccccc2cc1[O-] ZINC000325383810 1127918782 /nfs/dbraw/zinc/91/87/82/1127918782.db2.gz XPCZRLSMFLAGPV-GOSISDBHSA-N -1 1 295.382 3.854 20 0 CHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC000173379386 1128087938 /nfs/dbraw/zinc/08/79/38/1128087938.db2.gz ZNBMLLSPCRRAAL-VIFPVBQESA-N -1 1 293.725 3.927 20 0 CHADMM O=C(/C=C/C1CCCCC1)Nc1ccc([O-])c(F)c1F ZINC000493711363 1128147737 /nfs/dbraw/zinc/14/77/37/1128147737.db2.gz DEKODLJDTSGMBF-RMKNXTFCSA-N -1 1 281.302 3.745 20 0 CHADMM CCCN(C(=O)c1ncccc1[O-])[C@@H](CC)c1ccccc1 ZINC000494819013 1128202090 /nfs/dbraw/zinc/20/20/90/1128202090.db2.gz NAMANTVRTGRSQO-HNNXBMFYSA-N -1 1 298.386 3.791 20 0 CHADMM O=C(N[C@H]1CCCCC12CCCC2)c1c([O-])cccc1F ZINC000387297590 1128381992 /nfs/dbraw/zinc/38/19/92/1128381992.db2.gz PDYIJJKRDOMXEL-AWEZNQCLSA-N -1 1 291.366 3.764 20 0 CHADMM [O-]c1cccc(CNc2ccccc2-n2cccn2)c1Cl ZINC000328276185 1128420069 /nfs/dbraw/zinc/42/00/69/1128420069.db2.gz XYUNBKBWNQAHLG-UHFFFAOYSA-N -1 1 299.761 3.843 20 0 CHADMM COCc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328425261 1128431433 /nfs/dbraw/zinc/43/14/33/1128431433.db2.gz ZVSDAKNNJWKBOQ-UHFFFAOYSA-N -1 1 277.751 3.804 20 0 CHADMM C[C@H]1CC[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000126984066 1128470964 /nfs/dbraw/zinc/47/09/64/1128470964.db2.gz FFVSEKKUVFUPQT-UWVGGRQHSA-N -1 1 267.756 3.810 20 0 CHADMM C[C@H](C1CC1)N(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000127539915 1128479500 /nfs/dbraw/zinc/47/95/00/1128479500.db2.gz LUNHOOHBHJPDEX-GFCCVEGCSA-N -1 1 295.382 3.949 20 0 CHADMM CCc1nc(SCCCC(C)(F)F)[n-]c(=O)c1C ZINC000917842202 1128521778 /nfs/dbraw/zinc/52/17/78/1128521778.db2.gz GTEPPKDSGAMKFV-UHFFFAOYSA-N -1 1 276.352 3.581 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000070157993 1128559030 /nfs/dbraw/zinc/55/90/30/1128559030.db2.gz MGHSLUHJZFXHAN-CYBMUJFWSA-N -1 1 283.371 3.808 20 0 CHADMM C[C@H](CS[C@@H]1COC(C)(C)C1)C(=O)c1ccc([O-])cc1 ZINC000918158498 1128537861 /nfs/dbraw/zinc/53/78/61/1128537861.db2.gz BFRHQDZGVYXHPR-RISCZKNCSA-N -1 1 294.416 3.512 20 0 CHADMM C[C@@H]([N@@H+](C)Cc1c(F)ccc(O)c1F)C(C)(C)C ZINC000567930375 1128574744 /nfs/dbraw/zinc/57/47/44/1128574744.db2.gz DACQVKHYZPITNW-SECBINFHSA-N -1 1 257.324 3.537 20 0 CHADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1csc(C)c1 ZINC000649161616 1128578578 /nfs/dbraw/zinc/57/85/78/1128578578.db2.gz CLOHESMMFAVSLR-AWEZNQCLSA-N -1 1 293.363 3.782 20 0 CHADMM CC(C)(C)[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000571007126 1128635946 /nfs/dbraw/zinc/63/59/46/1128635946.db2.gz YLZIJKLLFMSYRR-JTQLQIEISA-N -1 1 297.345 3.569 20 0 CHADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1ccccc1[O-] ZINC000557040352 1128661857 /nfs/dbraw/zinc/66/18/57/1128661857.db2.gz NVTRLYKEKBCADX-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM CN(C(=O)c1ccccc1[O-])c1cccc2ccccc21 ZINC000038273783 1128694275 /nfs/dbraw/zinc/69/42/75/1128694275.db2.gz ZKGBAELSPSPDFW-UHFFFAOYSA-N -1 1 277.323 3.822 20 0 CHADMM COc1c(C)cc(C=C2SC(=S)[N-]C2=O)cc1C ZINC000048984760 1128738786 /nfs/dbraw/zinc/73/87/86/1128738786.db2.gz BWSOIPRYVJQONW-UXBLZVDNSA-N -1 1 279.386 3.641 20 0 CHADMM CCCC(=CC(=O)Nc1c([O-])cccc1F)CCC ZINC000092551677 1117854651 /nfs/dbraw/zinc/85/46/51/1117854651.db2.gz WRFDDICNXBUDCZ-UHFFFAOYSA-N -1 1 265.328 3.996 20 0 CHADMM CC(=O)c1cccc(-c2nc3ccc(C)cc3c(=O)[n-]2)c1 ZINC000339567943 1117884867 /nfs/dbraw/zinc/88/48/67/1117884867.db2.gz OEPDVANCZWZQIG-UHFFFAOYSA-N -1 1 278.311 3.513 20 0 CHADMM Cc1ccccc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000049084476 1128742644 /nfs/dbraw/zinc/74/26/44/1128742644.db2.gz USHCPENBIPJWGH-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM Cc1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000350812840 1117917441 /nfs/dbraw/zinc/91/74/41/1117917441.db2.gz IGTAZHVRTUBERL-UHFFFAOYSA-N -1 1 293.735 3.528 20 0 CHADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397158222 1118077595 /nfs/dbraw/zinc/07/75/95/1118077595.db2.gz QEKPJWYKEPCERL-MAUKXSAKSA-N -1 1 283.371 3.710 20 0 CHADMM CCOc1cc(-c2noc([C@H]3C[C@H]3C)n2)cc(Cl)c1[O-] ZINC000683589429 1118204413 /nfs/dbraw/zinc/20/44/13/1118204413.db2.gz RMZUFZOANXFEMG-APPZFPTMSA-N -1 1 294.738 3.618 20 0 CHADMM CC(C)(CC(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001648847482 1118253971 /nfs/dbraw/zinc/25/39/71/1118253971.db2.gz PTHUGYAJBVHNBC-UHFFFAOYSA-N -1 1 287.334 3.838 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cscc1C(F)F ZINC001648851196 1118257628 /nfs/dbraw/zinc/25/76/28/1118257628.db2.gz YHGZKWFBMYHBGG-UHFFFAOYSA-N -1 1 287.262 3.783 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(Cl)cc1O ZINC001214407485 1118406374 /nfs/dbraw/zinc/40/63/74/1118406374.db2.gz VNCQVPCCKVWAIS-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1C(C)C ZINC000089541541 1118436589 /nfs/dbraw/zinc/43/65/89/1118436589.db2.gz NJFOLKIOWBRVNA-UHFFFAOYSA-N -1 1 290.338 3.783 20 0 CHADMM CCc1nc(SCc2ccc(F)c(F)c2)[n-]c(=O)c1C ZINC000568271449 1118451711 /nfs/dbraw/zinc/45/17/11/1118451711.db2.gz DQIIBPBZSIMVHA-UHFFFAOYSA-N -1 1 296.342 3.624 20 0 CHADMM COc1cc(C)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001211116253 1118466885 /nfs/dbraw/zinc/46/68/85/1118466885.db2.gz CERKUASMIPWHMP-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COc1cc(C)ccc1Nc1ccnc(Cl)c1[O-] ZINC001211114482 1118467104 /nfs/dbraw/zinc/46/71/04/1118467104.db2.gz FAUXDYIAQHPCEQ-UHFFFAOYSA-N -1 1 264.712 3.501 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(Cl)nc1Cl ZINC001211274517 1118495209 /nfs/dbraw/zinc/49/52/09/1118495209.db2.gz MBAHFFKLLDPDQO-UHFFFAOYSA-N -1 1 290.537 3.886 20 0 CHADMM [O-]c1cc(Nc2cc3ccccc3[nH]2)cc(F)c1F ZINC001211308390 1118501330 /nfs/dbraw/zinc/50/13/30/1118501330.db2.gz GVSKVUQTJISXFL-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(OC3CCC3)nc2)cc1F ZINC001211360175 1118507652 /nfs/dbraw/zinc/50/76/52/1118507652.db2.gz PMDQFPNGIKLRHJ-UHFFFAOYSA-N -1 1 277.270 3.664 20 0 CHADMM CC(=O)c1c(F)cc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001215574547 1118529554 /nfs/dbraw/zinc/52/95/54/1118529554.db2.gz ZKTANVXAJIBKFQ-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM CNc1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001216188811 1118867154 /nfs/dbraw/zinc/86/71/54/1118867154.db2.gz QNXBHBNHRCVIJN-UHFFFAOYSA-N -1 1 268.238 3.595 20 0 CHADMM Cc1c(Cl)cccc1NC(=O)c1ccc([O-])cc1F ZINC000181095248 1118903674 /nfs/dbraw/zinc/90/36/74/1118903674.db2.gz BFVPSAUDDHKRTJ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1[nH]nc2ccc(-c3nc(C(=O)[O-])c(C4CC4)s3)cc12 ZINC000657203408 1118922580 /nfs/dbraw/zinc/92/25/80/1118922580.db2.gz VPPNJLHDKIIXOA-UHFFFAOYSA-N -1 1 299.355 3.570 20 0 CHADMM CCc1nc(SCC(CC)CC)[n-]c(=O)c1C ZINC000657264630 1118944899 /nfs/dbraw/zinc/94/48/99/1118944899.db2.gz WIKWUMAFXXDMPC-UHFFFAOYSA-N -1 1 254.399 3.581 20 0 CHADMM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876193 1119085370 /nfs/dbraw/zinc/08/53/70/1119085370.db2.gz QBTJVJWVHKVHBX-DTWKUNHWSA-N -1 1 289.297 3.575 20 0 CHADMM CCCCS[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666051 1119086700 /nfs/dbraw/zinc/08/67/00/1119086700.db2.gz FBMNKPGYOPDUIV-VIFPVBQESA-N -1 1 287.812 3.906 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000033558167 1119206603 /nfs/dbraw/zinc/20/66/03/1119206603.db2.gz KKNZEQUHFLOTES-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CCC[C@]1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000343744650 1119501002 /nfs/dbraw/zinc/50/10/02/1119501002.db2.gz XSKSFBWUTXZIHW-MRXNPFEDSA-N -1 1 297.345 3.713 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](CC1CCCCC1)C(C)C ZINC000615227386 1128864296 /nfs/dbraw/zinc/86/42/96/1128864296.db2.gz QDQOYROIZKLNBM-CYBMUJFWSA-N -1 1 293.411 3.605 20 0 CHADMM COCOc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001211639913 1119930407 /nfs/dbraw/zinc/93/04/07/1119930407.db2.gz YKSRTUOMGQGUCC-UHFFFAOYSA-N -1 1 297.713 3.911 20 0 CHADMM COc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000190806063 1128882050 /nfs/dbraw/zinc/88/20/50/1128882050.db2.gz ZFDBBCQQCMISNA-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CCOc1cc(C(=O)N[C@H](C)[C@@H](C)CC)cc(Cl)c1[O-] ZINC000186694098 1119998241 /nfs/dbraw/zinc/99/82/41/1119998241.db2.gz NZFXYUDDNXYGSN-VHSXEESVSA-N -1 1 299.798 3.609 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1(C(F)(F)F)CCCC1 ZINC000628960596 1128888399 /nfs/dbraw/zinc/88/83/99/1128888399.db2.gz QOEPVVBOENVILT-UHFFFAOYSA-N -1 1 291.244 3.593 20 0 CHADMM CC(C)C[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960273 1128889030 /nfs/dbraw/zinc/88/90/30/1128889030.db2.gz BQRGMTLYMBSNIR-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000671892926 1120087297 /nfs/dbraw/zinc/08/72/97/1120087297.db2.gz DJHMDLRIRZURBJ-UHFFFAOYSA-N -1 1 287.334 3.539 20 0 CHADMM Cc1cccc(C(C)(C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000181986828 1120112272 /nfs/dbraw/zinc/11/22/72/1120112272.db2.gz JXMHLTNEKGMSND-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM CC1(C)Cc2cccc(C=C3SC(=S)[N-]C3=O)c2O1 ZINC000078022852 1128893590 /nfs/dbraw/zinc/89/35/90/1128893590.db2.gz RDFQBETWEBYWKY-POHAHGRESA-N -1 1 291.397 3.729 20 0 CHADMM C[C@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C[C@@H](C)C1 ZINC001625893485 1120233286 /nfs/dbraw/zinc/23/32/86/1120233286.db2.gz JTQKDBIXVRJNEV-MYJAWHEDSA-N -1 1 283.318 3.681 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2ccccc2-c2ccccc2)S1 ZINC000115661933 1120234830 /nfs/dbraw/zinc/23/48/30/1120234830.db2.gz SVAYYQDNKOKQHP-GXDHUFHOSA-N -1 1 281.336 3.678 20 0 CHADMM Cc1cc(C[C@H](C)Nc2cc(F)c([O-])c(Cl)c2)on1 ZINC001214480651 1120242145 /nfs/dbraw/zinc/24/21/45/1120242145.db2.gz WWHIVORBDVXUEV-ZETCQYMHSA-N -1 1 284.718 3.524 20 0 CHADMM [O-]c1c(F)cc(Nc2nccc3cnccc32)cc1Cl ZINC001214482728 1120253050 /nfs/dbraw/zinc/25/30/50/1120253050.db2.gz KVTUUYZYPAJHPA-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM Nc1cc(F)c(F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489173 1120308725 /nfs/dbraw/zinc/30/87/25/1120308725.db2.gz WFZSNJWZRNOBJL-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM CC/C=C(\C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182929118 1120331572 /nfs/dbraw/zinc/33/15/72/1120331572.db2.gz IAUCVNXOLQEETH-WEVVVXLNSA-N -1 1 298.180 3.758 20 0 CHADMM CCCCc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480628 1120359140 /nfs/dbraw/zinc/35/91/40/1120359140.db2.gz AEODGLZXRFNVJF-UHFFFAOYSA-N -1 1 295.342 3.847 20 0 CHADMM Cc1n[n-]c(=NCc2ccc(C3CCCC3)cc2)n1C1CC1 ZINC000359469109 1120404778 /nfs/dbraw/zinc/40/47/78/1120404778.db2.gz ROQYHXFKENHSHP-UHFFFAOYSA-N -1 1 296.418 3.613 20 0 CHADMM COc1c(F)ccc(Nc2cc(F)c([O-])cc2F)c1F ZINC001212505421 1120414917 /nfs/dbraw/zinc/41/49/17/1120414917.db2.gz JCASMSIGNBNTJZ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000673395057 1120466177 /nfs/dbraw/zinc/46/61/77/1120466177.db2.gz VJQVZHWEWHINHG-WCQYABFASA-N -1 1 293.382 3.818 20 0 CHADMM C[C@H]([C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417634314 1120466803 /nfs/dbraw/zinc/46/68/03/1120466803.db2.gz CFQXGKRPQAEZMD-SJCJKPOMSA-N -1 1 299.370 3.536 20 0 CHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1coc(C)n1 ZINC000673571884 1120553407 /nfs/dbraw/zinc/55/34/07/1120553407.db2.gz WNHKVSBGVMNMSL-UHFFFAOYSA-N -1 1 282.752 3.611 20 0 CHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000132873332 1120701731 /nfs/dbraw/zinc/70/17/31/1120701731.db2.gz RSPZCCKXMLFNBD-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM CCc1c(C(C)C)[n-]n([C@@H](C)c2ccccc2)c1=O ZINC000634599109 1128935070 /nfs/dbraw/zinc/93/50/70/1128935070.db2.gz APZFRZZCKVUBKC-GXTWGEPZSA-N -1 1 258.365 3.628 20 0 CHADMM Cc1ncccc1NCc1c([O-])ccc(Cl)c1F ZINC000191524727 1128942335 /nfs/dbraw/zinc/94/23/35/1128942335.db2.gz VWJCFBSDGKUNMF-UHFFFAOYSA-N -1 1 266.703 3.500 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCCC2 ZINC000629942640 1128942723 /nfs/dbraw/zinc/94/27/23/1128942723.db2.gz JBWRDVKUFVOSJF-GFCCVEGCSA-N -1 1 296.292 3.594 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1Cl)CCCC2 ZINC000629942665 1128942760 /nfs/dbraw/zinc/94/27/60/1128942760.db2.gz MDEUMIHLBRHXAY-NSHDSACASA-N -1 1 297.185 3.882 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000048652192 1120836214 /nfs/dbraw/zinc/83/62/14/1120836214.db2.gz OOISSIWOSZRFSF-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CCCc1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000343891729 1120901479 /nfs/dbraw/zinc/90/14/79/1120901479.db2.gz ZHRSVAQGWJFOGG-UHFFFAOYSA-N -1 1 294.738 3.547 20 0 CHADMM c1coc(-c2nnc([N-]c3ccc4cc[nH]c4c3)o2)c1 ZINC001174746964 1121033657 /nfs/dbraw/zinc/03/36/57/1121033657.db2.gz MLNYOSFIRZFAGI-UHFFFAOYSA-N -1 1 266.260 3.555 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc2cc[nH]c2c1 ZINC001174750045 1121037212 /nfs/dbraw/zinc/03/72/12/1121037212.db2.gz AVBJJGOGWKOKAA-UHFFFAOYSA-N -1 1 259.696 3.666 20 0 CHADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001161551967 1121037250 /nfs/dbraw/zinc/03/72/50/1121037250.db2.gz BABNRXDBOLGTKS-OLZOCXBDSA-N -1 1 295.810 3.990 20 0 CHADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001161551974 1121038488 /nfs/dbraw/zinc/03/84/88/1121038488.db2.gz BABNRXDBOLGTKS-QWHCGFSZSA-N -1 1 295.810 3.990 20 0 CHADMM COc1cc(F)c(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001174927800 1121100014 /nfs/dbraw/zinc/10/00/14/1121100014.db2.gz QNOBOMBBUBZUBY-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1cnc([C@H](C)[N-]c2nc(-c3ccccc3)no2)s1 ZINC000674248876 1121105115 /nfs/dbraw/zinc/10/51/15/1121105115.db2.gz WRHROMQIKQUJQR-JTQLQIEISA-N -1 1 286.360 3.675 20 0 CHADMM CC(C)c1noc([N-][C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000172581588 1121155942 /nfs/dbraw/zinc/15/59/42/1121155942.db2.gz KAGDMPQSHPYFCK-KGLIPLIRSA-N -1 1 287.363 3.525 20 0 CHADMM CCOc1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001175069383 1121157609 /nfs/dbraw/zinc/15/76/09/1121157609.db2.gz JQYNHJDBOLACBH-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM O=C1CCc2c1cccc2Nc1c(F)cc([O-])cc1F ZINC001175099995 1121164528 /nfs/dbraw/zinc/16/45/28/1121164528.db2.gz LUWFECSUMCHSJZ-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CCOc1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001175083028 1121176396 /nfs/dbraw/zinc/17/63/96/1121176396.db2.gz FKQGFOPNSTWRHA-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cc(F)c(F)cc2F)n1 ZINC001175086021 1121179084 /nfs/dbraw/zinc/17/90/84/1121179084.db2.gz OEZRJZCIYAKAJN-UHFFFAOYSA-N -1 1 287.310 3.997 20 0 CHADMM CC(=O)c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001175181484 1121220218 /nfs/dbraw/zinc/22/02/18/1121220218.db2.gz UTNQNCZARYHZTG-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM CC(=O)c1ccccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175182425 1121220380 /nfs/dbraw/zinc/22/03/80/1121220380.db2.gz FXEUHHQDPDDBDK-UHFFFAOYSA-N -1 1 293.326 3.524 20 0 CHADMM CCOc1ccc(OC)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001175210978 1121224544 /nfs/dbraw/zinc/22/45/44/1121224544.db2.gz MZQXLCXFZILSFQ-UHFFFAOYSA-N -1 1 291.351 3.518 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001175275167 1121248381 /nfs/dbraw/zinc/24/83/81/1121248381.db2.gz BCSFMJKDBJLXKC-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM COc1cccc(C(C)=O)c1Nc1c(F)ccc([O-])c1F ZINC001175268843 1121268810 /nfs/dbraw/zinc/26/88/10/1121268810.db2.gz YXVQOONIEVDFDH-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM COc1ncc([N-]c2cc(-c3cccs3)no2)s1 ZINC001175387761 1121310093 /nfs/dbraw/zinc/31/00/93/1121310093.db2.gz BIVKYWYHYBJJKG-UHFFFAOYSA-N -1 1 279.346 3.612 20 0 CHADMM COc1ncc([N-]c2cc(-c3ccccc3)no2)s1 ZINC001175387538 1121310396 /nfs/dbraw/zinc/31/03/96/1121310396.db2.gz VULASDWIWRYOLT-UHFFFAOYSA-N -1 1 273.317 3.550 20 0 CHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1c([O-])cccc1F ZINC000675522748 1121323999 /nfs/dbraw/zinc/32/39/99/1121323999.db2.gz CZBMTPHOWDLKSG-NSHDSACASA-N -1 1 295.354 3.598 20 0 CHADMM Cc1nc(SCc2cccc(F)c2)[n-]c(=O)c1C1CC1 ZINC000631024906 1128979181 /nfs/dbraw/zinc/97/91/81/1128979181.db2.gz IWFWIILTPIINOX-UHFFFAOYSA-N -1 1 290.363 3.799 20 0 CHADMM CC/C=C/CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023888 1128979190 /nfs/dbraw/zinc/97/91/90/1128979190.db2.gz HBWUHFSRHFYNNH-SNAWJCMRSA-N -1 1 264.394 3.816 20 0 CHADMM Cc1nc(SC[C@@H](C)C(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631023559 1128979207 /nfs/dbraw/zinc/97/92/07/1128979207.db2.gz ADVONUZSDKIHLU-ZCFIWIBFSA-N -1 1 292.326 3.659 20 0 CHADMM Cc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000048194294 1121456224 /nfs/dbraw/zinc/45/62/24/1121456224.db2.gz QEGXUAAECWAMKV-UHFFFAOYSA-N -1 1 297.379 3.845 20 0 CHADMM COCOc1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001176190699 1121568243 /nfs/dbraw/zinc/56/82/43/1121568243.db2.gz MMHPLKXATBLWSE-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CC(C)c1nn(C)cc1NCc1cccc([O-])c1Cl ZINC000293281094 1121584160 /nfs/dbraw/zinc/58/41/60/1121584160.db2.gz ODCKZHMPLNTYNQ-UHFFFAOYSA-N -1 1 279.771 3.515 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)c2)c1F ZINC001176668989 1121671312 /nfs/dbraw/zinc/67/13/12/1121671312.db2.gz AKWLTBRZTRVUHL-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1C ZINC001176672117 1121673225 /nfs/dbraw/zinc/67/32/25/1121673225.db2.gz FAFXALXCBLBGJC-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM CCc1ccc(C)nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662019 1121676967 /nfs/dbraw/zinc/67/69/67/1121676967.db2.gz GGYVTOFYYQLIHY-UHFFFAOYSA-N -1 1 282.265 3.819 20 0 CHADMM O=C(NCCC[C@@H]1C=CCC1)c1c([O-])cccc1Cl ZINC001176909579 1121701647 /nfs/dbraw/zinc/70/16/47/1121701647.db2.gz ARQXDDMBBHIBMX-LLVKDONJSA-N -1 1 279.767 3.522 20 0 CHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001177109350 1121713188 /nfs/dbraw/zinc/71/31/88/1121713188.db2.gz GAJLECGJSMDMHK-HZSPNIEDSA-N -1 1 291.366 3.842 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc2cc(F)ccc2[nH]1 ZINC001249850594 1121761335 /nfs/dbraw/zinc/76/13/35/1121761335.db2.gz JDMYXAFRYNFZGU-UHFFFAOYSA-N -1 1 277.686 3.805 20 0 CHADMM CO[C@@H](C)c1nc(=NCC[C@@H](C)CC(C)(C)C)s[n-]1 ZINC000509921305 1121797608 /nfs/dbraw/zinc/79/76/08/1121797608.db2.gz YBQSTWQHXDRJTP-MNOVXSKESA-N -1 1 285.457 3.542 20 0 CHADMM CCC1(C(=O)Nc2cccc(C(F)(F)F)c2[O-])CCC1 ZINC001179023392 1121837528 /nfs/dbraw/zinc/83/75/28/1121837528.db2.gz MHPFLXXPFRKCJH-UHFFFAOYSA-N -1 1 287.281 3.930 20 0 CHADMM O=C([N-]c1c(F)cc(F)cc1F)c1c(F)cccc1F ZINC000072504859 1121874378 /nfs/dbraw/zinc/87/43/78/1121874378.db2.gz SIBXJCABOIHMBI-UHFFFAOYSA-N -1 1 287.187 3.634 20 0 CHADMM CC1(C)C(C)(C)C1(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001179991198 1121935385 /nfs/dbraw/zinc/93/53/85/1121935385.db2.gz SBXDXFJYIRCDDI-UHFFFAOYSA-N -1 1 281.783 3.600 20 0 CHADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1 ZINC001249962378 1121973665 /nfs/dbraw/zinc/97/36/65/1121973665.db2.gz KSLRPJBHHMZLSO-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ccc(N)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022850 1122085002 /nfs/dbraw/zinc/08/50/02/1122085002.db2.gz WJGLNFFYLBBOBP-UHFFFAOYSA-N -1 1 282.702 3.519 20 0 CHADMM COc1c(O)cccc1Nc1cc(Cl)c([O-])cc1F ZINC001250029259 1122098352 /nfs/dbraw/zinc/09/83/52/1122098352.db2.gz FIORERISZMFPGV-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000421659351 1122147447 /nfs/dbraw/zinc/14/74/47/1122147447.db2.gz YPLVTXYRIKEGPV-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000414683704 1122266064 /nfs/dbraw/zinc/26/60/64/1122266064.db2.gz PQUDJNMEBYMGAB-ZDUSSCGKSA-N -1 1 287.359 3.632 20 0 CHADMM Cc1nc(Cl)ccc1Nc1ccnc(Cl)c1[O-] ZINC001250152570 1122281435 /nfs/dbraw/zinc/28/14/35/1122281435.db2.gz AOMLQEUJIFFZDA-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001185254866 1122329089 /nfs/dbraw/zinc/32/90/89/1122329089.db2.gz DPRFGSKNBMCKKT-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(NCc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC001185471630 1122342781 /nfs/dbraw/zinc/34/27/81/1122342781.db2.gz GHYZAVNBGNYZRL-UHFFFAOYSA-N -1 1 294.713 3.506 20 0 CHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1c([O-])cccc1F ZINC001185757884 1122359440 /nfs/dbraw/zinc/35/94/40/1122359440.db2.gz JGFPBVAGQGCRHT-UHFFFAOYSA-N -1 1 286.306 3.664 20 0 CHADMM C=Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC001185824696 1122363005 /nfs/dbraw/zinc/36/30/05/1122363005.db2.gz GANOABGRFAKTJP-UHFFFAOYSA-N -1 1 291.347 3.578 20 0 CHADMM Cn1cc2cccc(Nc3c(F)ccc([O-])c3Cl)c2n1 ZINC001250233362 1122379825 /nfs/dbraw/zinc/37/98/25/1122379825.db2.gz NVEZVOSFRWTONN-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM CC(=O)c1cccc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250234637 1122381565 /nfs/dbraw/zinc/38/15/65/1122381565.db2.gz UFYGWGCUJROCKB-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM Cc1ccc2cccnc2c1NC(=O)c1ccc([O-])cc1F ZINC001186328516 1122383260 /nfs/dbraw/zinc/38/32/60/1122383260.db2.gz FDXAYJDOCDULLO-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187385027 1122427850 /nfs/dbraw/zinc/42/78/50/1122427850.db2.gz NEIHTJIZYFZYTL-RKDXNWHRSA-N -1 1 295.857 3.505 20 0 CHADMM COC(=O)c1c[n-]c(SCC2CCC(C)(C)CC2)n1 ZINC001189166111 1122490060 /nfs/dbraw/zinc/49/00/60/1122490060.db2.gz KLXWIKZYVBWJBT-UHFFFAOYSA-N -1 1 282.409 3.505 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CC=C(c2ccccc2)C1 ZINC000779680955 1129058330 /nfs/dbraw/zinc/05/83/30/1129058330.db2.gz XIVBGICJJFNFPQ-UHFFFAOYSA-N -1 1 299.757 3.585 20 0 CHADMM Cc1cccc2nc(-c3ccc(OC(C)C)cc3)[n-]c(=O)c12 ZINC000515438652 1122498337 /nfs/dbraw/zinc/49/83/37/1122498337.db2.gz WYEHGNHOFWDJGC-UHFFFAOYSA-N -1 1 294.354 3.686 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC[C@H](C)C2)n1 ZINC000436248452 1122526610 /nfs/dbraw/zinc/52/66/10/1122526610.db2.gz SODOUYQDRDARIX-WDEREUQCSA-N -1 1 266.410 3.663 20 0 CHADMM CC[C@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436571685 1122562910 /nfs/dbraw/zinc/56/29/10/1122562910.db2.gz DHJIYKOBKANMBP-OAHLLOKOSA-N -1 1 281.783 3.698 20 0 CHADMM Cc1c(NC(=O)c2ccccc2[O-])cccc1C(F)(F)F ZINC000436579998 1122563886 /nfs/dbraw/zinc/56/38/86/1122563886.db2.gz WGSAXXCQECRQIC-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccccc1[O-] ZINC000436590153 1122565293 /nfs/dbraw/zinc/56/52/93/1122565293.db2.gz RNCJHTQEQVSBJL-UHFFFAOYSA-N -1 1 295.260 3.749 20 0 CHADMM O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2cc(Cl)ccc12 ZINC000436695030 1122572937 /nfs/dbraw/zinc/57/29/37/1122572937.db2.gz CVHAEDCDAHBSLN-UHFFFAOYSA-N -1 1 290.681 3.501 20 0 CHADMM CC1(C)CC(Cc2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000436785261 1122583405 /nfs/dbraw/zinc/58/34/05/1122583405.db2.gz TYWKAOYNLBRNIM-UHFFFAOYSA-N -1 1 276.311 3.560 20 0 CHADMM CCc1ccc(C(=O)N2c3ccccc3C[C@H]2C)c([O-])c1 ZINC000436801315 1122584579 /nfs/dbraw/zinc/58/45/79/1122584579.db2.gz AYOXKFLOCNBSKO-GFCCVEGCSA-N -1 1 281.355 3.546 20 0 CHADMM O=C(Nc1cc(-c2ccccc2)ns1)c1ccccc1[O-] ZINC000436846030 1122588133 /nfs/dbraw/zinc/58/81/33/1122588133.db2.gz VLTDCOWCJLSHLX-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436882058 1122590879 /nfs/dbraw/zinc/59/08/79/1122590879.db2.gz ZYYPCZOSCRCCNO-SNVBAGLBSA-N -1 1 284.290 3.733 20 0 CHADMM [O-]c1ccc(-c2noc(C3(F)CCCCC3)n2)c(F)c1 ZINC000436954248 1122599322 /nfs/dbraw/zinc/59/93/22/1122599322.db2.gz FSFGNIRJRZXKLF-UHFFFAOYSA-N -1 1 280.274 3.710 20 0 CHADMM C=Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192539611 1122651654 /nfs/dbraw/zinc/65/16/54/1122651654.db2.gz FLZSRGUEFZSHBC-UHFFFAOYSA-N -1 1 275.254 3.566 20 0 CHADMM Cc1nc(-c2c(Cl)ccc([O-])c2F)ccc1F ZINC001250486667 1122655886 /nfs/dbraw/zinc/65/58/86/1122655886.db2.gz CZZFECBBVNGHAH-UHFFFAOYSA-N -1 1 255.651 3.694 20 0 CHADMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(F)c2F)CC(C)(C)C1 ZINC001192679493 1122656218 /nfs/dbraw/zinc/65/62/18/1122656218.db2.gz VPZYEYRGTQARID-VHSXEESVSA-N -1 1 297.345 3.615 20 0 CHADMM CCCC[C@H](C)NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001193060513 1122676455 /nfs/dbraw/zinc/67/64/55/1122676455.db2.gz KIBHYKXHVVIFML-VIFPVBQESA-N -1 1 270.760 3.746 20 0 CHADMM Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000153551511 1129072134 /nfs/dbraw/zinc/07/21/34/1129072134.db2.gz NPXGPZVCWJLAKR-UHFFFAOYSA-N -1 1 265.696 3.508 20 0 CHADMM C[C@@H](c1cccnc1)N(C)Cc1cccc([O-])c1Cl ZINC000293765261 1122718708 /nfs/dbraw/zinc/71/87/08/1122718708.db2.gz ZKLYMHDGWMLATD-NSHDSACASA-N -1 1 276.767 3.634 20 0 CHADMM CCC(CC)COC(=O)Nc1cccc(F)c1[O-] ZINC001194709841 1122796591 /nfs/dbraw/zinc/79/65/91/1122796591.db2.gz ZVGKTCCIOXDBBC-UHFFFAOYSA-N -1 1 255.289 3.516 20 0 CHADMM COc1ccc(-c2cccc([O-])c2Cl)cc1F ZINC001250620192 1122847262 /nfs/dbraw/zinc/84/72/62/1122847262.db2.gz CIXDLFFOASOUCO-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM Cc1ccc([O-])c(C(=O)Nc2c(C)ccc3ccccc32)n1 ZINC001195315636 1122862753 /nfs/dbraw/zinc/86/27/53/1122862753.db2.gz QZWWQLQYNQCRNQ-UHFFFAOYSA-N -1 1 292.338 3.810 20 0 CHADMM COc1ccccc1CN(C)Cc1cccc([O-])c1Cl ZINC000506932986 1122913721 /nfs/dbraw/zinc/91/37/21/1122913721.db2.gz VCOYMRYXPUGHRY-UHFFFAOYSA-N -1 1 291.778 3.686 20 0 CHADMM CN(Cc1ccc(F)cc1F)Cc1cccc([O-])c1Cl ZINC000507093463 1122923295 /nfs/dbraw/zinc/92/32/95/1122923295.db2.gz LCXDMIOSSAHKDT-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM Cc1c(Cl)cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000426988904 1122930013 /nfs/dbraw/zinc/93/00/13/1122930013.db2.gz FMLZCYNXDJPMJQ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1ccccc1NC(=S)Nc1ccc([O-])c(F)c1F ZINC001198420733 1122990647 /nfs/dbraw/zinc/99/06/47/1122990647.db2.gz LZOKLCMYQFNJHV-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001198427837 1122991921 /nfs/dbraw/zinc/99/19/21/1122991921.db2.gz QSKGTJYSGXJSCZ-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM [O-]c1c(Br)ccc(Cl)c1Nc1cnoc1 ZINC001203246317 1123050742 /nfs/dbraw/zinc/05/07/42/1123050742.db2.gz FEEWIHMXIHIGPJ-UHFFFAOYSA-N -1 1 289.516 3.540 20 0 CHADMM Cc1c(Cl)cc(Nc2ccc(N)nc2)c([O-])c1Cl ZINC001201292057 1123084043 /nfs/dbraw/zinc/08/40/43/1123084043.db2.gz IKUFDNXMJJPFDD-UHFFFAOYSA-N -1 1 284.146 3.728 20 0 CHADMM CC[C@@H](C)[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000048866453 1123084057 /nfs/dbraw/zinc/08/40/57/1123084057.db2.gz XUDZHGDNPUGAKM-VXGBXAGGSA-N -1 1 271.360 3.710 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000050566663 1123094161 /nfs/dbraw/zinc/09/41/61/1123094161.db2.gz YWGKOFCSUBZPKH-OLZOCXBDSA-N -1 1 283.371 3.806 20 0 CHADMM CC(C)Oc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001201549953 1123118184 /nfs/dbraw/zinc/11/81/84/1123118184.db2.gz IOIMZHFHKPDRBN-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(OC3CCCCC3)c12 ZINC001226490182 1123155716 /nfs/dbraw/zinc/15/57/16/1123155716.db2.gz OIMKKSIZMYIXRW-UHFFFAOYSA-N -1 1 274.316 3.519 20 0 CHADMM O=C(Nc1cccc(F)c1)Nc1cccc([O-])c1Cl ZINC001202230709 1123191546 /nfs/dbraw/zinc/19/15/46/1123191546.db2.gz IVGFXFFAPVTZDK-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc(F)c([O-])cc1F ZINC001202248132 1123193684 /nfs/dbraw/zinc/19/36/84/1123193684.db2.gz WXXUUVUQCSSNNX-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1cccc(NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001202314240 1123197810 /nfs/dbraw/zinc/19/78/10/1123197810.db2.gz LEKXAELAEWTUNV-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CC1(C)CC[C@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3cccc1c32 ZINC000776511710 1123320570 /nfs/dbraw/zinc/32/05/70/1123320570.db2.gz LNZLMEHJJDTYAN-JOYOIKCWSA-N -1 1 297.320 3.965 20 0 CHADMM CCCCc1cc(=O)n(-c2cccc3cnccc32)[n-]1 ZINC000634623126 1129121789 /nfs/dbraw/zinc/12/17/89/1129121789.db2.gz XSPCFVAONSFRLZ-UHFFFAOYSA-N -1 1 267.332 3.518 20 0 CHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443279661 1123383912 /nfs/dbraw/zinc/38/39/12/1123383912.db2.gz ZMESLIVWNRGSTN-VHSXEESVSA-N -1 1 299.798 3.609 20 0 CHADMM Cc1nc(SC[C@@H]2C[C@H]3C[C@H]3C2)[n-]c(=O)c1C1CC1 ZINC000631022833 1123396733 /nfs/dbraw/zinc/39/67/33/1123396733.db2.gz ACBZGOCPQLOVCS-YHPBZONMSA-N -1 1 276.405 3.506 20 0 CHADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCCCC2 ZINC000634632165 1129122256 /nfs/dbraw/zinc/12/22/56/1129122256.db2.gz LATNLNURQVLXKF-CJNGLKHVSA-N -1 1 286.350 3.592 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000051746407 1123471328 /nfs/dbraw/zinc/47/13/28/1123471328.db2.gz UFARZGMOVIPSPG-CHWSQXEVSA-N -1 1 283.371 3.806 20 0 CHADMM CCC(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674134 1123477419 /nfs/dbraw/zinc/47/74/19/1123477419.db2.gz IDKCRSSQOIZDTM-UHFFFAOYSA-N -1 1 259.708 3.559 20 0 CHADMM Cc1ccc(N(C)C(=O)c2ccccc2[O-])cc1Cl ZINC000113068251 1123508882 /nfs/dbraw/zinc/50/88/82/1123508882.db2.gz YFALGYDDBGQKGL-UHFFFAOYSA-N -1 1 275.735 3.631 20 0 CHADMM CC[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000080939647 1129130482 /nfs/dbraw/zinc/13/04/82/1129130482.db2.gz PJQRTRIXYBLQKS-LLVKDONJSA-N -1 1 295.251 3.626 20 0 CHADMM CC(C)CC(CC(C)C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858391833 1123650084 /nfs/dbraw/zinc/65/00/84/1123650084.db2.gz SQTPXKSBIQXKPB-UHFFFAOYSA-N -1 1 271.792 3.708 20 0 CHADMM CCC[C@@H]1CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389257 1123650591 /nfs/dbraw/zinc/65/05/91/1123650591.db2.gz DOSIJJCRWNMRKB-NXEZZACHSA-N -1 1 269.776 3.606 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858485884 1123657788 /nfs/dbraw/zinc/65/77/88/1123657788.db2.gz IIKLMUNIZRXUTH-MNOVXSKESA-N -1 1 283.803 3.852 20 0 CHADMM Cc1ccsc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000395526487 1123718456 /nfs/dbraw/zinc/71/84/56/1123718456.db2.gz LACOBSXJGFYTDW-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)c(F)c1 ZINC000864042566 1123912864 /nfs/dbraw/zinc/91/28/64/1123912864.db2.gz SUGSOYODNWDEPK-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM Cc1nc(SC/C(Cl)=C\Cl)[n-]c(=O)c1C1CC1 ZINC000865373470 1123975842 /nfs/dbraw/zinc/97/58/42/1123975842.db2.gz VWVBIZYSUMIICM-XBXARRHUSA-N -1 1 291.203 3.779 20 0 CHADMM Cc1nc(SCCSC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000865373451 1123975918 /nfs/dbraw/zinc/97/59/18/1123975918.db2.gz VFHFZZFQYJDBNH-UHFFFAOYSA-N -1 1 298.477 3.992 20 0 CHADMM Cc1nc(SCSC(C)C)[n-]c(=O)c1C1CC1 ZINC000865373329 1123975929 /nfs/dbraw/zinc/97/59/29/1123975929.db2.gz PLIBZLHZURQMKS-UHFFFAOYSA-N -1 1 270.423 3.559 20 0 CHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897299856 1123993542 /nfs/dbraw/zinc/99/35/42/1123993542.db2.gz ATWPKABCKRQZQG-AAEUAGOBSA-N -1 1 299.370 3.654 20 0 CHADMM CCN(CC(C)(C)C)C(=O)c1c([O-])cccc1Cl ZINC000794908421 1124047500 /nfs/dbraw/zinc/04/75/00/1124047500.db2.gz AHJNMOKADIVPTO-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM CC1(C)C[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445451173 1124082983 /nfs/dbraw/zinc/08/29/83/1124082983.db2.gz BMMYHVSJBCYCAK-VIFPVBQESA-N -1 1 264.712 3.609 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)sc1C ZINC000445479006 1124086416 /nfs/dbraw/zinc/08/64/16/1124086416.db2.gz IORFFEYHJUXGBZ-UHFFFAOYSA-N -1 1 290.319 3.927 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1F ZINC000445474864 1124087286 /nfs/dbraw/zinc/08/72/86/1124087286.db2.gz YXCYARLJUMTYGI-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC(C)CCc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC000871945374 1124653357 /nfs/dbraw/zinc/65/33/57/1124653357.db2.gz NSGKYUCJARMOEY-UHFFFAOYSA-N -1 1 281.359 3.764 20 0 CHADMM CC(C)N(C(=O)c1cc(Cl)ccc1[O-])C1CCCC1 ZINC001136683120 1131416478 /nfs/dbraw/zinc/41/64/78/1131416478.db2.gz REBISDUPLFGYRH-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM COc1cnc(C=Cc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000821008526 1131317688 /nfs/dbraw/zinc/31/76/88/1131317688.db2.gz QLVYWHFJWPGEFX-HWKANZROSA-N -1 1 297.141 3.668 20 0 CHADMM CCN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876397136 1124944076 /nfs/dbraw/zinc/94/40/76/1124944076.db2.gz WEPWMRVIECOXQG-UHFFFAOYSA-N -1 1 298.814 3.623 20 0 CHADMM Cc1c2[nH]cnc2ccc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239352444 1131321322 /nfs/dbraw/zinc/32/13/22/1131321322.db2.gz CKLPGYUXNJQAMU-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM CC(C)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450292193 1124972663 /nfs/dbraw/zinc/97/26/63/1124972663.db2.gz HQLYJHAAFJVCRF-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM CCCc1nc(C)c(C(=O)Nc2cccc(F)c2[O-])s1 ZINC000530007263 1125109165 /nfs/dbraw/zinc/10/91/65/1125109165.db2.gz SRSJBHRNOLRGSJ-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM CC(C)(C)C1CC(C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530007061 1125109540 /nfs/dbraw/zinc/10/95/40/1125109540.db2.gz ZDRVFZPYVOUKBA-UHFFFAOYSA-N -1 1 265.328 3.542 20 0 CHADMM Cc1nc(C(C)C)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006082 1125113492 /nfs/dbraw/zinc/11/34/92/1125113492.db2.gz OBRWBAIKYOGYHF-UHFFFAOYSA-N -1 1 288.322 3.610 20 0 CHADMM CCC(=CC(=O)Nc1ccc([O-])c(Cl)c1)CC ZINC000126985470 1125134044 /nfs/dbraw/zinc/13/40/44/1125134044.db2.gz ICOIYMVMLBFABR-UHFFFAOYSA-N -1 1 253.729 3.731 20 0 CHADMM c1cc(C2CCCCC2)ccc1SCc1nn[n-]n1 ZINC000530960913 1125189265 /nfs/dbraw/zinc/18/92/65/1125189265.db2.gz CHUSNDGENXUZJC-UHFFFAOYSA-N -1 1 274.393 3.540 20 0 CHADMM CC(C)(CC(=O)Nc1ccc(F)cc1[O-])CC(F)F ZINC000879183292 1125201625 /nfs/dbraw/zinc/20/16/25/1125201625.db2.gz MNNGTXMEPWHNQS-UHFFFAOYSA-N -1 1 275.270 3.541 20 0 CHADMM O=C(N=c1s[nH]c2ccccc21)[N-]OC1CCCCC1 ZINC000879823012 1125235680 /nfs/dbraw/zinc/23/56/80/1125235680.db2.gz KXXZNQGGUHNOHR-UHFFFAOYSA-N -1 1 291.376 3.682 20 0 CHADMM CC(C)(CC(=O)Nc1cccc(F)c1[O-])CC(F)F ZINC000880854855 1125293455 /nfs/dbraw/zinc/29/34/55/1125293455.db2.gz WHETZSYAURUIOS-UHFFFAOYSA-N -1 1 275.270 3.541 20 0 CHADMM C=C/C=C\CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000882277904 1125342446 /nfs/dbraw/zinc/34/24/46/1125342446.db2.gz RPDQKPYNIAXURE-PLNGDYQASA-N -1 1 262.378 3.592 20 0 CHADMM CCc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000225339617 1125351711 /nfs/dbraw/zinc/35/17/11/1125351711.db2.gz FMTFLUGAHIAWNI-UHFFFAOYSA-N -1 1 295.791 3.600 20 0 CHADMM Cc1ccc2c([N-]c3nnc(C(C)(C)C)o3)cccc2n1 ZINC001212794291 1125412249 /nfs/dbraw/zinc/41/22/49/1125412249.db2.gz SGOYDMSOSFTNST-UHFFFAOYSA-N -1 1 282.347 3.967 20 0 CHADMM Cc1ccc(F)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1F ZINC000214735898 1125439986 /nfs/dbraw/zinc/43/99/86/1125439986.db2.gz XWMAASWOLMDOKL-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM CCC(F)(F)C(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000822058451 1131361775 /nfs/dbraw/zinc/36/17/75/1131361775.db2.gz GGQSYSZVSCYRDO-UHFFFAOYSA-N -1 1 299.214 3.506 20 0 CHADMM CCc1nc2sccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240696681 1129321515 /nfs/dbraw/zinc/32/15/15/1129321515.db2.gz VPHWKKISMHZBML-UHFFFAOYSA-N -1 1 274.320 3.765 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(CCO)cc1 ZINC001212931503 1129402291 /nfs/dbraw/zinc/40/22/91/1129402291.db2.gz GRZXEMNRYFQITP-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM CC[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000740933457 1129423758 /nfs/dbraw/zinc/42/37/58/1129423758.db2.gz ZPNQOBACBHAWDN-MNOVXSKESA-N -1 1 281.783 3.744 20 0 CHADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)c(C)c1 ZINC001241120711 1129457907 /nfs/dbraw/zinc/45/79/07/1129457907.db2.gz HVWAFVUENHQDGI-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM [O-]c1cc(F)c(-c2ccccc2OC2CC2)c(F)c1 ZINC001241122536 1129459975 /nfs/dbraw/zinc/45/99/75/1129459975.db2.gz GCOJZRXQWZFZHB-UHFFFAOYSA-N -1 1 262.255 3.879 20 0 CHADMM Cc1ccc(C2(C(=O)Nc3c([O-])cccc3F)CCC2)cc1 ZINC000644689023 1129475186 /nfs/dbraw/zinc/47/51/86/1129475186.db2.gz CTZMUXDBUKXKEK-UHFFFAOYSA-N -1 1 299.345 3.900 20 0 CHADMM [O-]c1cccc(CNc2cnc3c(c2)CCCC3)c1Cl ZINC000645171972 1129490027 /nfs/dbraw/zinc/49/00/27/1129490027.db2.gz SQTZOGCEVNXSIG-UHFFFAOYSA-N -1 1 288.778 3.932 20 0 CHADMM CCCCCC[C@@](C)(CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000742607119 1129490544 /nfs/dbraw/zinc/49/05/44/1129490544.db2.gz UKEFCPSHRNRWNQ-GDBMZVCRSA-N -1 1 285.428 3.948 20 0 CHADMM CCCCCC[C@@](C)(CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000742607120 1129490767 /nfs/dbraw/zinc/49/07/67/1129490767.db2.gz UKEFCPSHRNRWNQ-GOEBONIOSA-N -1 1 285.428 3.948 20 0 CHADMM Cc1ccc2c(CC(=O)Nc3c([O-])cccc3F)c[nH]c2c1 ZINC000743415488 1129523906 /nfs/dbraw/zinc/52/39/06/1129523906.db2.gz CMRBMAANJFWMKK-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM C/C(=C/C(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000743415580 1129523979 /nfs/dbraw/zinc/52/39/79/1129523979.db2.gz HDSCSYVUAJXWJI-NTMALXAHSA-N -1 1 289.281 3.712 20 0 CHADMM CCC[C@H](CC1CCCCC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647816189 1129585759 /nfs/dbraw/zinc/58/57/59/1129585759.db2.gz ZURLBMPAJDQPKF-CYBMUJFWSA-N -1 1 293.411 3.749 20 0 CHADMM CCC[C@H]1CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940628 1129629529 /nfs/dbraw/zinc/62/95/29/1129629529.db2.gz SWXNSBRUDBYHLL-WDEREUQCSA-N -1 1 265.328 3.686 20 0 CHADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1csc(C)c1 ZINC000649162425 1129636235 /nfs/dbraw/zinc/63/62/35/1129636235.db2.gz QIFUHHPHNGWVLA-CYBMUJFWSA-N -1 1 293.363 3.782 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3C3CCCC3)n2)cc1F ZINC000650590675 1129714543 /nfs/dbraw/zinc/71/45/43/1129714543.db2.gz FGLZGLDWNXUABV-RYUDHWBXSA-N -1 1 288.322 3.875 20 0 CHADMM CCCC(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000651095988 1129728659 /nfs/dbraw/zinc/72/86/59/1129728659.db2.gz RACSVCGSXBIBJB-UHFFFAOYSA-N -1 1 287.363 3.547 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651554794 1129741789 /nfs/dbraw/zinc/74/17/89/1129741789.db2.gz WJSVGVCMSURIAV-VXGBXAGGSA-N -1 1 279.767 3.810 20 0 CHADMM [O-]c1ccc(-c2nccc(-c3ccccc3)n2)c(F)c1 ZINC001206022345 1129760713 /nfs/dbraw/zinc/76/07/13/1129760713.db2.gz YMDGPKBKIDOXDQ-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM C[C@H](N(C)C(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000769667849 1129920801 /nfs/dbraw/zinc/92/08/01/1129920801.db2.gz UEZRLKJVSDEOJJ-VIFPVBQESA-N -1 1 269.772 3.552 20 0 CHADMM CC(C)CCN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769669500 1129920881 /nfs/dbraw/zinc/92/08/81/1129920881.db2.gz YANCAKGUNHEXEJ-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM CSCCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619689 1129939450 /nfs/dbraw/zinc/93/94/50/1129939450.db2.gz SZDIRHBWZGCTPY-UHFFFAOYSA-N -1 1 292.429 3.694 20 0 CHADMM CC[C@](NCc1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000901653985 1129941371 /nfs/dbraw/zinc/94/13/71/1129941371.db2.gz WDDZJMLIMUPSPH-MRXNPFEDSA-N -1 1 289.400 3.536 20 0 CHADMM Cc1cc(CNCc2ccc(Cl)c(C)c2)oc1C(=O)[O-] ZINC000901940839 1129966932 /nfs/dbraw/zinc/96/69/32/1129966932.db2.gz GHNJCSOATCCTPU-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM CCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000771210252 1129975199 /nfs/dbraw/zinc/97/51/99/1129975199.db2.gz GPYRPTYCZHSCES-UHFFFAOYSA-N -1 1 290.319 3.872 20 0 CHADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(F)cc1 ZINC001137754801 1131413262 /nfs/dbraw/zinc/41/32/62/1131413262.db2.gz OITCBLJUUNWKTJ-AWEZNQCLSA-N -1 1 291.297 3.552 20 0 CHADMM Cc1oc(CNC(C)(C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000902286287 1129996589 /nfs/dbraw/zinc/99/65/89/1129996589.db2.gz MBHCKDFTVAOSJQ-UHFFFAOYSA-N -1 1 287.359 3.620 20 0 CHADMM CC(C)Oc1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242802568 1130056564 /nfs/dbraw/zinc/05/65/64/1130056564.db2.gz LMASUJUTMSPYJB-UHFFFAOYSA-N -1 1 263.724 3.895 20 0 CHADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc2[nH]ccc2c1 ZINC000788551489 1130194222 /nfs/dbraw/zinc/19/42/22/1130194222.db2.gz PWQRFFQBQPVQDD-UHFFFAOYSA-N -1 1 298.317 3.679 20 0 CHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c2ccccc2n1 ZINC000677647389 1130319871 /nfs/dbraw/zinc/31/98/71/1130319871.db2.gz BOXZCFRFYLWHHR-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM COC(=O)c1cc(F)cc(-c2ccc([O-])c(F)c2F)c1C ZINC001243340581 1130385679 /nfs/dbraw/zinc/38/56/79/1130385679.db2.gz DXXNOXMZEKAQRO-UHFFFAOYSA-N -1 1 296.244 3.572 20 0 CHADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(F)c1F ZINC001243343155 1130386859 /nfs/dbraw/zinc/38/68/59/1130386859.db2.gz XVDUVLYUCHZLDW-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM CC[C@H]1c2ccccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000678310932 1130399380 /nfs/dbraw/zinc/39/93/80/1130399380.db2.gz NTEGHWQAFFVFGZ-INIZCTEOSA-N -1 1 299.345 3.681 20 0 CHADMM Cc1cc(C)cc(CCC(=O)Nc2c([O-])cccc2F)c1 ZINC000678374424 1130409604 /nfs/dbraw/zinc/40/96/04/1130409604.db2.gz JAAJPNHYCIEOSY-UHFFFAOYSA-N -1 1 287.334 3.719 20 0 CHADMM Cc1nc2ccc(-c3cc(F)ccc3[O-])nc2n1C(C)C ZINC001240693594 1130421308 /nfs/dbraw/zinc/42/13/08/1130421308.db2.gz GYXHXEILFARVBC-UHFFFAOYSA-N -1 1 285.322 3.832 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncncc1OCc1ccccc1 ZINC001240693432 1130421409 /nfs/dbraw/zinc/42/14/09/1130421409.db2.gz RDQDCCMPCYGPNU-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(-c2ccc(F)cc2)n1 ZINC001240696321 1130421944 /nfs/dbraw/zinc/42/19/44/1130421944.db2.gz MPDOBAWYSSKLLU-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM CSc1nc(-c2cc(F)ccc2[O-])cc(C(F)F)n1 ZINC001240695618 1130422489 /nfs/dbraw/zinc/42/24/89/1130422489.db2.gz OMXUFKZVUFXCEN-UHFFFAOYSA-N -1 1 286.278 3.648 20 0 CHADMM CN(c1ccccc1)c1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240696849 1130423615 /nfs/dbraw/zinc/42/36/15/1130423615.db2.gz YTDVKUUSQAWIGG-UHFFFAOYSA-N -1 1 295.317 3.756 20 0 CHADMM [O-]c1ccc(-c2ncccc2C(F)(F)F)cc1F ZINC001240783687 1130469177 /nfs/dbraw/zinc/46/91/77/1130469177.db2.gz WBCRKQBKLGXCFO-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM [O-]c1ccc(-c2c(F)ccc3cccnc32)cc1F ZINC001240786245 1130469930 /nfs/dbraw/zinc/46/99/30/1130469930.db2.gz BZTFVSNXWQIZJS-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1ccc(-c2nccnc2Oc2ccccc2)cc1F ZINC001240786057 1130470292 /nfs/dbraw/zinc/47/02/92/1130470292.db2.gz JPXGZCZNBUJYPK-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccc(-c2ccno2)cc1 ZINC001243502339 1130515025 /nfs/dbraw/zinc/51/50/25/1130515025.db2.gz KOUDYHOHHFPMOO-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM CN(C)c1cccc(-c2cc([S-])cc(S)c2)c1 ZINC001240986489 1130552215 /nfs/dbraw/zinc/55/22/15/1130552215.db2.gz NLHNUXAXJVJPCN-UHFFFAOYSA-N -1 1 261.415 3.997 20 0 CHADMM CCCC(=O)[C@H](CCC)Oc1nc2sccc2[n-]1 ZINC001234846835 1130681402 /nfs/dbraw/zinc/68/14/02/1130681402.db2.gz DAAGSWHXCUTGJC-NSHDSACASA-N -1 1 266.366 3.541 20 0 CHADMM Oc1c(F)cc(F)c(-c2cccc([S-])c2)c1F ZINC001235993029 1130825013 /nfs/dbraw/zinc/82/50/13/1130825013.db2.gz BEQUUBJZFHNNMH-UHFFFAOYSA-N -1 1 256.248 3.765 20 0 CHADMM Cc1ccc(F)c(-c2cc(N3CCCC3)ccn2)c1[O-] ZINC001236390108 1130925357 /nfs/dbraw/zinc/92/53/57/1130925357.db2.gz HPNTXVWTHITDQJ-UHFFFAOYSA-N -1 1 272.323 3.502 20 0 CHADMM CSc1cnc(-c2c(F)ccc(C)c2[O-])c(C)c1 ZINC001236389120 1130925513 /nfs/dbraw/zinc/92/55/13/1130925513.db2.gz AULSRLSTJPZXAD-UHFFFAOYSA-N -1 1 263.337 3.932 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3cccnc3)nc(C)n2)c1[O-] ZINC001236391731 1130926846 /nfs/dbraw/zinc/92/68/46/1130926846.db2.gz OIZUZOROWGFJDR-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM Cc1ccc(F)c(-c2cnc(-c3ccccc3)cn2)c1[O-] ZINC001236392317 1130926950 /nfs/dbraw/zinc/92/69/50/1130926950.db2.gz QSZIPASOYVVIMB-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Oc1cc(C[N@@H+]2CCSc3ccccc3C2)ccc1F ZINC001236709349 1130998357 /nfs/dbraw/zinc/99/83/57/1130998357.db2.gz XOAIXKYSDDMELA-UHFFFAOYSA-N -1 1 289.375 3.639 20 0 CHADMM [O-]c1cc(F)c(CN2CCCCCC2)cc1Cl ZINC001238142100 1131174614 /nfs/dbraw/zinc/17/46/14/1131174614.db2.gz BWOAZYSQRONAFW-UHFFFAOYSA-N -1 1 257.736 3.561 20 0 CHADMM CN(Cc1c(Br)ccc([O-])c1F)C(C)(C)C ZINC001238308284 1131190052 /nfs/dbraw/zinc/19/00/52/1131190052.db2.gz YGQVBFLQCADUCJ-UHFFFAOYSA-N -1 1 290.176 3.524 20 0 CHADMM [O-]c1ccc(F)c(-c2ccc3cc[nH]c3n2)c1Cl ZINC001245828847 1131198803 /nfs/dbraw/zinc/19/88/03/1131198803.db2.gz YYGYPBUSRWMACO-UHFFFAOYSA-N -1 1 262.671 3.728 20 0 CHADMM Cc1ccnc(C)c1-c1c(F)ccc([O-])c1Cl ZINC001245831330 1131200625 /nfs/dbraw/zinc/20/06/25/1131200625.db2.gz CMJIJMUGSKTVFJ-UHFFFAOYSA-N -1 1 251.688 3.864 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1C ZINC001202826444 1131501412 /nfs/dbraw/zinc/50/14/12/1131501412.db2.gz CIWPFKLLTNXDMM-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2F)CC1 ZINC001138507707 1131514777 /nfs/dbraw/zinc/51/47/77/1131514777.db2.gz LIMVOTKLQKCHRP-QWHCGFSZSA-N -1 1 293.382 3.866 20 0 CHADMM CCc1ccc(C(=O)N2CCCCc3ccccc32)c([O-])c1 ZINC001143726753 1131527836 /nfs/dbraw/zinc/52/78/36/1131527836.db2.gz BNSVIIMNOLNHTQ-UHFFFAOYSA-N -1 1 295.382 3.938 20 0 CHADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001143916355 1131554378 /nfs/dbraw/zinc/55/43/78/1131554378.db2.gz CGLUTYWBQWGLLW-YPMHNXCESA-N -1 1 279.355 3.620 20 0 CHADMM O=C(c1cccc([O-])c1F)N1CCCCc2sccc21 ZINC001139384268 1131606258 /nfs/dbraw/zinc/60/62/58/1131606258.db2.gz KSIZWTHIUUNPRV-UHFFFAOYSA-N -1 1 291.347 3.576 20 0 CHADMM Cc1ccc(CN(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144553675 1131655397 /nfs/dbraw/zinc/65/53/97/1131655397.db2.gz MLCRVZDCKSTKEH-UHFFFAOYSA-N -1 1 277.314 3.611 20 0 CHADMM C/C(=C\C[N@H+](C)Cc1oc2c(cccc2C)c1C)C(=O)[O-] ZINC000846291955 1131704872 /nfs/dbraw/zinc/70/48/72/1131704872.db2.gz WDVOMHGNFOTGMC-XYOKQWHBSA-N -1 1 287.359 3.512 20 0 CHADMM O=C(N[C@@H]1CCCC12CCCCC2)c1cccc([O-])c1F ZINC001147255271 1131816305 /nfs/dbraw/zinc/81/63/05/1131816305.db2.gz KXWCBROTSVDKAL-CQSZACIVSA-N -1 1 291.366 3.764 20 0 CHADMM CC[C@H](C)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148873652 1131872491 /nfs/dbraw/zinc/87/24/91/1131872491.db2.gz ZTPCBVYAPAAOSH-LBPRGKRZSA-N -1 1 269.344 3.588 20 0 CHADMM O=C(N[C@@H]1CC=CCC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148871700 1131875383 /nfs/dbraw/zinc/87/53/83/1131875383.db2.gz CJVBDKHAXIERJA-OAHLLOKOSA-N -1 1 293.366 3.898 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@@H](C)C1 ZINC001228553426 1131908882 /nfs/dbraw/zinc/90/88/82/1131908882.db2.gz CAWNXAJHZQKGIN-ZYHUDNBSSA-N -1 1 278.348 3.648 20 0 CHADMM CN(Cc1cc(Cl)c([O-])c(Cl)c1)C1CC(F)(F)C1 ZINC001140829755 1131938727 /nfs/dbraw/zinc/93/87/27/1131938727.db2.gz LZYCKSCIMJZNAL-UHFFFAOYSA-N -1 1 296.144 3.929 20 0 CHADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)Cc2ccccc21 ZINC001140887752 1131959546 /nfs/dbraw/zinc/95/95/46/1131959546.db2.gz GKALWVYBFMIBMK-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM O=C(C[C@@H]1CCCC1(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000713987782 1131967435 /nfs/dbraw/zinc/96/74/35/1131967435.db2.gz FTUPJCAFEWXFKX-QMMMGPOBSA-N -1 1 289.709 3.810 20 0 CHADMM Cc1cccc([C@H](C)Oc2cc([O-])cc3oc(=O)ccc23)c1 ZINC001229134685 1132024233 /nfs/dbraw/zinc/02/42/33/1132024233.db2.gz IJGYOXDMZIPHAS-LBPRGKRZSA-N -1 1 296.322 3.947 20 0 CHADMM C[C@@H](Cc1ccccc1)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134181 1132024567 /nfs/dbraw/zinc/02/45/67/1132024567.db2.gz FODWJPXKEOTBLQ-LBPRGKRZSA-N -1 1 296.322 3.509 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000837086930 1132034897 /nfs/dbraw/zinc/03/48/97/1132034897.db2.gz VXAIFSKBTNSWIU-BQYQJAHWSA-N -1 1 269.291 3.601 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccnc1F ZINC001229475637 1132074200 /nfs/dbraw/zinc/07/42/00/1132074200.db2.gz BXLLHYXQNQQHQP-JTQLQIEISA-N -1 1 289.306 3.659 20 0 CHADMM CN(C(=O)c1cccc([O-])c1F)[C@H]1CCCc2ccccc21 ZINC001141376311 1132106340 /nfs/dbraw/zinc/10/63/40/1132106340.db2.gz HAXQNJJRBXHOPG-HNNXBMFYSA-N -1 1 299.345 3.681 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@@H]1C=CCC1 ZINC001231231264 1132273919 /nfs/dbraw/zinc/27/39/19/1132273919.db2.gz SZYDPBSUEBXTKV-OAHLLOKOSA-N -1 1 280.323 3.721 20 0 CHADMM [O-]c1cc(CN2Cc3ccc(F)cc3C2)ccc1Cl ZINC001231734206 1132349824 /nfs/dbraw/zinc/34/98/24/1132349824.db2.gz RSMAHGOVYWGSTI-UHFFFAOYSA-N -1 1 277.726 3.701 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001142514902 1132403275 /nfs/dbraw/zinc/40/32/75/1132403275.db2.gz UKXAQQSXURPJMQ-KGLIPLIRSA-N -1 1 293.382 3.818 20 0 CHADMM C/C(=C/C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001142542074 1132406412 /nfs/dbraw/zinc/40/64/12/1132406412.db2.gz LDENTSQIGSDJLI-YFHOEESVSA-N -1 1 289.281 3.712 20 0 CHADMM CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001173853960 1132556905 /nfs/dbraw/zinc/55/69/05/1132556905.db2.gz RNYARRPWYQGHFG-UHFFFAOYSA-N -1 1 295.342 3.720 20 0 CHADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001173864450 1132566542 /nfs/dbraw/zinc/56/65/42/1132566542.db2.gz GAGBXKOQDZKIET-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])nc2ccccc12 ZINC001151772383 1132574877 /nfs/dbraw/zinc/57/48/77/1132574877.db2.gz PFRIDDIWCYXBEB-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](C2CCC2)CC1 ZINC001152803718 1132586719 /nfs/dbraw/zinc/58/67/19/1132586719.db2.gz OVFUKIJFJOVELX-CYBMUJFWSA-N -1 1 291.366 3.574 20 0 CHADMM Cc1ccn2cc(CN(C)Cc3ccc([S-])cc3)nc2c1 ZINC001233263567 1132593357 /nfs/dbraw/zinc/59/33/57/1132593357.db2.gz YLMGGIFCWBMYBK-UHFFFAOYSA-N -1 1 297.427 3.563 20 0 CHADMM CC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001173898019 1132602536 /nfs/dbraw/zinc/60/25/36/1132602536.db2.gz WSISSDNCGPRTED-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cnc2ccccc2c1 ZINC001174002754 1132673493 /nfs/dbraw/zinc/67/34/93/1132673493.db2.gz UKPXFQSDMHKLBT-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM COc1cccc(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001173972949 1132682854 /nfs/dbraw/zinc/68/28/54/1132682854.db2.gz SAMAEVKEYCKTMO-UHFFFAOYSA-N -1 1 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334109882 /nfs/dbraw/zinc/10/98/82/334109882.db2.gz UTLVYMPJXFJZBC-AWEZNQCLSA-N -1 1 283.371 3.664 20 0 CHADMM CCc1nc(C(=O)[N-]c2cc(Cl)ccc2SC)co1 ZINC000155350635 334719914 /nfs/dbraw/zinc/71/99/14/334719914.db2.gz FOVHQCVXMPTHEK-UHFFFAOYSA-N -1 1 296.779 3.865 20 0 CHADMM CC1(C)CCC(C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000340332787 520294997 /nfs/dbraw/zinc/29/49/97/520294997.db2.gz JWLRHIUUHCIQJV-UHFFFAOYSA-N -1 1 265.328 3.686 20 0 CHADMM CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111577657 518327032 /nfs/dbraw/zinc/32/70/32/518327032.db2.gz SKBFHWHUCYUSTJ-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM CC1(C)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000063072971 520334428 /nfs/dbraw/zinc/33/44/28/520334428.db2.gz IIKJFFOFBLGQOF-UHFFFAOYSA-N -1 1 269.344 3.560 20 0 CHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000277166252 524602588 /nfs/dbraw/zinc/60/25/88/524602588.db2.gz DMUQSPUIBDPAHV-HNNXBMFYSA-N -1 1 289.400 3.589 20 0 CHADMM C[C@H](NCc1cccc([O-])c1Cl)c1c(F)cncc1F ZINC000339400357 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ZINC000037596094 600218642 /nfs/dbraw/zinc/21/86/42/600218642.db2.gz COUALFGXRCFWSJ-UHFFFAOYSA-N -1 1 290.190 3.679 20 0 CHADMM CCCC[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000132433244 600936144 /nfs/dbraw/zinc/93/61/44/600936144.db2.gz RQUQHRILSKEZLY-LBPRGKRZSA-N -1 1 278.377 3.607 20 0 CHADMM C/C(=C/CN(Cc1ccco1)Cc1cccc(C)c1)C(=O)[O-] ZINC000825730630 601158442 /nfs/dbraw/zinc/15/84/42/601158442.db2.gz ZPNOTFBAHJUVSD-NVNXTCNLSA-N -1 1 299.370 3.621 20 0 CHADMM C[C@H](NCc1ccsc1C(=O)[O-])c1ccccc1Cl ZINC000235521781 601804001 /nfs/dbraw/zinc/80/40/01/601804001.db2.gz QHTCUPLCLIIHMJ-VIFPVBQESA-N -1 1 295.791 3.951 20 0 CHADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(Cl)c1 ZINC000109601701 601935926 /nfs/dbraw/zinc/93/59/26/601935926.db2.gz GZQPWPBBZMUNTR-UHFFFAOYSA-N -1 1 295.791 3.732 20 0 CHADMM Cc1ccccc1[C@@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832976740 604474042 /nfs/dbraw/zinc/47/40/42/604474042.db2.gz BBDOGEJDZLNBLT-CYBMUJFWSA-N -1 1 281.355 3.770 20 0 CHADMM C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548363 605104787 /nfs/dbraw/zinc/10/47/87/605104787.db2.gz NXTPXMQJHKNUIZ-SNVBAGLBSA-N -1 1 292.766 3.559 20 0 CHADMM C[C@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000062015320 948947928 /nfs/dbraw/zinc/94/79/28/948947928.db2.gz XLIVYETUEOKVHT-GFCCVEGCSA-N -1 1 287.334 3.717 20 0 CHADMM CCN(Cc1cccc(C(=O)[O-])c1)Cc1ccccc1F ZINC001589736930 950548982 /nfs/dbraw/zinc/54/89/82/950548982.db2.gz YMRXMCIOLBSQTO-UHFFFAOYSA-N -1 1 287.334 3.546 20 0 CHADMM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000050507841 957492567 /nfs/dbraw/zinc/49/25/67/957492567.db2.gz ALQXMTMTCIVTLY-RISCZKNCSA-N -1 1 275.373 3.533 20 0 CHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000050507719 957492838 /nfs/dbraw/zinc/49/28/38/957492838.db2.gz XVWKHYGKDDODDY-IAQYHMDHSA-N -1 1 289.762 3.817 20 0 CHADMM CC[C@H](NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000071380718 957720930 /nfs/dbraw/zinc/72/09/30/957720930.db2.gz FOCFIJAUIDBERZ-ZDUSSCGKSA-N -1 1 293.750 3.872 20 0 CHADMM CCN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1F ZINC001204156995 960602535 /nfs/dbraw/zinc/60/25/35/960602535.db2.gz MQBJPXBBKYBXMO-UHFFFAOYSA-N -1 1 287.334 3.546 20 0 CHADMM C[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231456015 960605863 /nfs/dbraw/zinc/60/58/63/960605863.db2.gz HMTCYTBMEQNQHY-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001605277782 973071682 /nfs/dbraw/zinc/07/16/82/973071682.db2.gz PKMYWVHNUBQOBM-UHFFFAOYSA-N -1 1 289.762 3.636 20 0 CHADMM O=C([O-])c1ccc(CNCc2cccc(Cl)c2F)s1 ZINC001606491101 973974516 /nfs/dbraw/zinc/97/45/16/973974516.db2.gz GHERWEMQLUHNTI-UHFFFAOYSA-N -1 1 299.754 3.529 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(F)c1Cl ZINC001648848033 1118254134 /nfs/dbraw/zinc/25/41/34/1118254134.db2.gz XLEDSHWQLPMQRP-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594669137 986978163 /nfs/dbraw/zinc/97/81/63/986978163.db2.gz ZTJGSXOVPOOQDF-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@H](N[C@H](c1ccccc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210858 994256042 /nfs/dbraw/zinc/25/60/42/994256042.db2.gz TXZQMNLDMAMQHW-MEDUHNTESA-N -1 1 285.343 3.780 20 0 CHADMM C[C@H](N[C@H]1CCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593220660 994314760 /nfs/dbraw/zinc/31/47/60/994314760.db2.gz VBCJEHXKNLEPJZ-NHYWBVRUSA-N -1 1 285.343 3.706 20 0 CHADMM C[C@H](NCc1ccc(Cl)o1)c1cc(C(=O)[O-])cs1 ZINC001593299785 994724726 /nfs/dbraw/zinc/72/47/26/994724726.db2.gz WCFVCFZULXJSCK-ZETCQYMHSA-N -1 1 285.752 3.544 20 0 CHADMM C[C@@H](NCc1cccc(C(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593303740 994737508 /nfs/dbraw/zinc/73/75/08/994737508.db2.gz FGZDYXFNAJGXJH-SECBINFHSA-N -1 1 295.285 3.766 20 0 CHADMM C[C@H](c1ccccc1F)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593717930 996237364 /nfs/dbraw/zinc/23/73/64/996237364.db2.gz VFOHYDOCMYXGTD-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM CCCCCCOC(=O)Nc1ccc([O-])c(F)c1F ZINC001194182044 1122754947 /nfs/dbraw/zinc/75/49/47/1122754947.db2.gz YMNHKTCSJDNHHX-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM CCC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858389525 1123650680 /nfs/dbraw/zinc/65/06/80/1123650680.db2.gz WBSFBQMEKYWXQF-NSHDSACASA-N -1 1 283.803 3.997 20 0 CHADMM CC[C@@H](CC(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000530006138 1125109622 /nfs/dbraw/zinc/10/96/22/1125109622.db2.gz PUHLPZFUERBKJK-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM Clc1cc2[n-]c(O[C@H]3C=CCCC3)nc2c(Cl)n1 ZINC001231045579 1132248739 /nfs/dbraw/zinc/24/87/39/1132248739.db2.gz XGMZHUMCVIXGOK-ZETCQYMHSA-N -1 1 284.146 3.752 20 0 CHADMM Clc1cc2nc(O[C@H]3C=CCCC3)[n-]c2c(Cl)n1 ZINC001231045579 1132248742 /nfs/dbraw/zinc/24/87/42/1132248742.db2.gz XGMZHUMCVIXGOK-ZETCQYMHSA-N -1 1 284.146 3.752 20 0 CHADMM [O-]c1c(Cl)cc(Nc2ccc(F)nc2)cc1Cl ZINC001210924920 1134329841 /nfs/dbraw/zinc/32/98/41/1134329841.db2.gz XOTHDZKIOVBKRG-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cc1nsc([N-]c2cccc(OC(F)(F)F)c2F)n1 ZINC001216522006 1134914647 /nfs/dbraw/zinc/91/46/47/1134914647.db2.gz ZVHWGBPKESXAJO-UHFFFAOYSA-N -1 1 293.245 3.628 20 0 CHADMM CCCOC[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227642129 1135852499 /nfs/dbraw/zinc/85/24/99/1135852499.db2.gz VSHYPGRVTKFIBN-QMMMGPOBSA-N -1 1 279.163 3.893 20 0 CHADMM Cc1cccc(NC(=O)Nc2c([O-])cccc2F)c1C ZINC001202700892 1125517700 /nfs/dbraw/zinc/51/77/00/1125517700.db2.gz FVZQKMNFLKKBAL-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H]2CCC(C)C)s[n-]1 ZINC000509678951 1125573434 /nfs/dbraw/zinc/57/34/34/1125573434.db2.gz GQXOEAXKNJNALP-FRRDWIJNSA-N -1 1 297.468 3.684 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000885680791 1125621105 /nfs/dbraw/zinc/62/11/05/1125621105.db2.gz ZIDQAHQJBHWJRR-DJLDLDEBSA-N -1 1 283.730 3.559 20 0 CHADMM CCC[C@@H](CC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000110325384 1125629373 /nfs/dbraw/zinc/62/93/73/1125629373.db2.gz TVVGQMUKONXDHY-CYBMUJFWSA-N -1 1 271.360 3.854 20 0 CHADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000110325407 1125629476 /nfs/dbraw/zinc/62/94/76/1125629476.db2.gz WFZXZXKXTDFGPS-AWEZNQCLSA-N -1 1 289.762 3.927 20 0 CHADMM CC(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001212010862 1125649240 /nfs/dbraw/zinc/64/92/40/1125649240.db2.gz DCMPFVAIGUHGPI-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)C(C)(C)O1 ZINC000887296649 1125787147 /nfs/dbraw/zinc/78/71/47/1125787147.db2.gz IJTMECFMDPUBPT-TZMCWYRMSA-N -1 1 292.423 3.501 20 0 CHADMM CCSc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000481851998 1126722379 /nfs/dbraw/zinc/72/23/79/1126722379.db2.gz ONDUYJGKLRQJLW-UHFFFAOYSA-N -1 1 291.347 3.896 20 0 CHADMM C[C@@H]1CC[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000162144976 1126765726 /nfs/dbraw/zinc/76/57/26/1126765726.db2.gz ZKADVXAOEKLLMI-TXEJJXNPSA-N -1 1 269.344 3.558 20 0 CHADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C3CCC3)o2)cc1 ZINC000904048594 1126825622 /nfs/dbraw/zinc/82/56/22/1126825622.db2.gz PEIJHNOXJTYGHX-KRWDZBQOSA-N -1 1 299.370 3.598 20 0 CHADMM CC1(C)CC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908710977 1127012906 /nfs/dbraw/zinc/01/29/06/1127012906.db2.gz NLAUQJJTGGMJNY-MRVPVSSYSA-N -1 1 298.180 3.529 20 0 CHADMM CC(C)(C)CC(=O)Nc1cccc([O-])c1Br ZINC000908714767 1127013351 /nfs/dbraw/zinc/01/33/51/1127013351.db2.gz MHKREDOTAZKYRB-UHFFFAOYSA-N -1 1 286.169 3.529 20 0 CHADMM CCC(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908716743 1127014235 /nfs/dbraw/zinc/01/42/35/1127014235.db2.gz MUZVWJSYUIZCAP-UHFFFAOYSA-N -1 1 286.169 3.529 20 0 CHADMM Cc1ncc(Nc2cc([O-])c(Cl)cc2F)s1 ZINC001212135278 1127022210 /nfs/dbraw/zinc/02/22/10/1127022210.db2.gz KBQMESIKFQUTGC-UHFFFAOYSA-N -1 1 258.705 3.693 20 0 CHADMM CC[C@H](CC(F)(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988140 1127043502 /nfs/dbraw/zinc/04/35/02/1127043502.db2.gz XDXZQEJUVYJECX-ZCFIWIBFSA-N -1 1 297.223 3.588 20 0 CHADMM CCOc1cc(C(=O)Nc2ccccc2)cc(Cl)c1[O-] ZINC000192980346 1127167045 /nfs/dbraw/zinc/16/70/45/1127167045.db2.gz PBSDCXSAISCJHV-UHFFFAOYSA-N -1 1 291.734 3.697 20 0 CHADMM Cc1ccc(C[N@H+](C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000572249511 1127195641 /nfs/dbraw/zinc/19/56/41/1127195641.db2.gz NTNOILXICLUBIP-LLVKDONJSA-N -1 1 293.388 3.849 20 0 CHADMM Cc1ccc(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000572249511 1127195642 /nfs/dbraw/zinc/19/56/42/1127195642.db2.gz NTNOILXICLUBIP-LLVKDONJSA-N -1 1 293.388 3.849 20 0 CHADMM CC(C)CCC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306154 1127252061 /nfs/dbraw/zinc/25/20/61/1127252061.db2.gz OZYSTHHQPSWRSD-NSHDSACASA-N -1 1 283.799 3.990 20 0 CHADMM CCCOc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726680 1127315396 /nfs/dbraw/zinc/31/53/96/1127315396.db2.gz SNFHFPTUCRQJOA-UHFFFAOYSA-N -1 1 298.317 3.518 20 0 CHADMM CCCC[C@H](OCCCC[P@](=O)([O-])O)[C@@H](C)CCC ZINC001225018671 1127320158 /nfs/dbraw/zinc/32/01/58/1127320158.db2.gz DXMVFRKLIYIVGP-KBPBESRZSA-N -1 1 294.372 3.956 20 0 CHADMM Cc1cc(C)cc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000594875171 1127432007 /nfs/dbraw/zinc/43/20/07/1127432007.db2.gz DUDHASHBNRHMIA-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM C[C@@H](c1ccncc1)N(C)Cc1cccc([O-])c1Cl ZINC000293583261 1127507204 /nfs/dbraw/zinc/50/72/04/1127507204.db2.gz JWFLAUUTPKGRIJ-NSHDSACASA-N -1 1 276.767 3.634 20 0 CHADMM CC(C)=CCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000295530356 1127645429 /nfs/dbraw/zinc/64/54/29/1127645429.db2.gz FMBYKOGSUVAJSO-JTQLQIEISA-N -1 1 283.318 3.535 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc2ccccc2c1 ZINC000605437923 1127736382 /nfs/dbraw/zinc/73/63/82/1127736382.db2.gz QMNGGSQJZGLLNZ-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM Cc1ccc(-c2cc(=NC(=O)CCC(C)(C)C)[nH][n-]2)s1 ZINC000606531520 1127766898 /nfs/dbraw/zinc/76/68/98/1127766898.db2.gz CKVUWFUOVDQGQW-UHFFFAOYSA-N -1 1 291.420 3.633 20 0 CHADMM C[C@H]1CCC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000608366303 1127862434 /nfs/dbraw/zinc/86/24/34/1127862434.db2.gz QTMGYLWZZIQANM-WDEREUQCSA-N -1 1 265.328 3.686 20 0 CHADMM CCn1cc(C(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000608365240 1127863081 /nfs/dbraw/zinc/86/30/81/1127863081.db2.gz CUZRZPCQPHYRNK-UHFFFAOYSA-N -1 1 298.317 3.758 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2ccccc2)[nH]1 ZINC000608367170 1127863124 /nfs/dbraw/zinc/86/31/24/1127863124.db2.gz VNTSNBCRPIMQMA-UHFFFAOYSA-N -1 1 296.301 3.779 20 0 CHADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2c([O-])cccc2F)C1(C)C ZINC000608366261 1127863253 /nfs/dbraw/zinc/86/32/53/1127863253.db2.gz HEUHJLWPNCLBNQ-ZWNOBZJWSA-N -1 1 277.339 3.708 20 0 CHADMM C[C@H]1CC=C(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000455984233 1127899309 /nfs/dbraw/zinc/89/93/09/1127899309.db2.gz BNUJVSMVQLBFDI-VIFPVBQESA-N -1 1 265.740 3.731 20 0 CHADMM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)cc3[O-])cc2c1 ZINC000535421263 1127915102 /nfs/dbraw/zinc/91/51/02/1127915102.db2.gz WYHAGMWGVVNFAW-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM CC(C)n1ccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001203164157 1127928804 /nfs/dbraw/zinc/92/88/04/1127928804.db2.gz FLGOICSTWIDTCM-UHFFFAOYSA-N -1 1 251.717 3.567 20 0 CHADMM Fc1ccc2c(c1)CCN(Cc1ccc([S-])cc1)C2 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CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000124656469 1128445447 /nfs/dbraw/zinc/44/54/47/1128445447.db2.gz ATAQCYHNYKZTPI-TZMCWYRMSA-N -1 1 283.371 3.949 20 0 CHADMM Cc1cscc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000128823280 1128518532 /nfs/dbraw/zinc/51/85/32/1128518532.db2.gz YHSHAHUCHSATAL-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM CC[C@@H]1C[C@H]1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918463815 1128546330 /nfs/dbraw/zinc/54/63/30/1128546330.db2.gz UBZYUWINSJZZKG-KOLCDFICSA-N -1 1 264.394 3.506 20 0 CHADMM CCc1nc(SC/C=C/c2ccccc2)[n-]c(=O)c1C ZINC000568273516 1128581858 /nfs/dbraw/zinc/58/18/58/1128581858.db2.gz UHQGDRAOFQBUKW-JXMROGBWSA-N -1 1 286.400 3.859 20 0 CHADMM Cc1cnc(SC[C@H](C)C2CCCCC2)[n-]c1=O ZINC000570698866 1128629728 /nfs/dbraw/zinc/62/97/28/1128629728.db2.gz IQZMJXZPZJVPDV-NSHDSACASA-N -1 1 266.410 3.799 20 0 CHADMM CC(C)(C)C1CC(C(=O)Nc2c([O-])cccc2F)C1 ZINC000655032615 1117851075 /nfs/dbraw/zinc/85/10/75/1117851075.db2.gz POLVXLTTZPOBAZ-UHFFFAOYSA-N -1 1 265.328 3.542 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3cc(F)ccc32)c1[O-] ZINC001236391080 1128746043 /nfs/dbraw/zinc/74/60/43/1128746043.db2.gz LASAKHKQGRCWTD-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM O=C1[N-]C(=S)SC1=Cc1sccc1Cl ZINC000073294887 1117970781 /nfs/dbraw/zinc/97/07/81/1117970781.db2.gz BTNAROMEWJTVMR-UTCJRWHESA-N -1 1 261.780 3.731 20 0 CHADMM CC[C@](C)(NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC001167197609 1118094012 /nfs/dbraw/zinc/09/40/12/1118094012.db2.gz WPSBQRLCDIMYBD-SFHVURJKSA-N -1 1 283.371 3.854 20 0 CHADMM CC(C)N(C(=O)c1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000654536776 1118104898 /nfs/dbraw/zinc/10/48/98/1118104898.db2.gz DGADAYBSVSNOQE-UHFFFAOYSA-N -1 1 279.355 3.571 20 0 CHADMM CC(C)(C)CC(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000145544466 1118158375 /nfs/dbraw/zinc/15/83/75/1118158375.db2.gz YUIZLUKCZKWWRN-UHFFFAOYSA-N -1 1 297.826 3.919 20 0 CHADMM O=c1cc(C2CC2)nc(S[C@H]2CCc3ccccc32)[n-]1 ZINC000683739851 1118325258 /nfs/dbraw/zinc/32/52/58/1118325258.db2.gz MYTJKWYYDTVNAV-AWEZNQCLSA-N -1 1 284.384 3.839 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1[C@@H]2CCCCCC[C@@H]12 ZINC000616101741 1128775414 /nfs/dbraw/zinc/77/54/14/1128775414.db2.gz UFCZIQIIWPACDX-NXEZZACHSA-N -1 1 295.329 3.825 20 0 CHADMM Nc1cn(-c2cc(Cl)c([O-])c(Cl)c2)c2ncccc12 ZINC001210924897 1118424107 /nfs/dbraw/zinc/42/41/07/1118424107.db2.gz WIBUUWHETWPWFG-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1CC1CCCC1 ZINC000655364020 1118469371 /nfs/dbraw/zinc/46/93/71/1118469371.db2.gz XPPUJOKHFWWHQM-AWEZNQCLSA-N -1 1 291.366 3.716 20 0 CHADMM COC(=O)c1cc(C)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211175224 1118475076 /nfs/dbraw/zinc/47/50/76/1118475076.db2.gz KTPMJIVWBUZGHN-UHFFFAOYSA-N -1 1 293.269 3.509 20 0 CHADMM CC(C)[S@](=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211350930 1118506258 /nfs/dbraw/zinc/50/62/58/1118506258.db2.gz ZAGBVSRHUAMNKM-FQEVSTJZSA-N -1 1 296.338 3.853 20 0 CHADMM CCCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC000656766055 1118653384 /nfs/dbraw/zinc/65/33/84/1118653384.db2.gz RDGSFNBNRUYUAO-UHFFFAOYSA-N -1 1 291.322 3.529 20 0 CHADMM [O-]c1cc(Nc2ccc3c(c2)NCC3)c(F)cc1Cl ZINC001213153617 1118747218 /nfs/dbraw/zinc/74/72/18/1118747218.db2.gz JPMXJKACLFNACN-UHFFFAOYSA-N -1 1 278.714 3.896 20 0 CHADMM CC(C)CC1(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC001167597213 1119151264 /nfs/dbraw/zinc/15/12/64/1119151264.db2.gz FEERFYPTWHFLCO-UHFFFAOYSA-N -1 1 283.371 3.854 20 0 CHADMM CCc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1C ZINC000583661705 1119391953 /nfs/dbraw/zinc/39/19/53/1119391953.db2.gz YAORKMDDDOKIIJ-UHFFFAOYSA-N -1 1 291.297 3.794 20 0 CHADMM O=C(CSc1ccnc2ccccc21)c1ccc([O-])cc1 ZINC000138058464 1119578302 /nfs/dbraw/zinc/57/83/02/1119578302.db2.gz UXIHRUNLEBVMJQ-UHFFFAOYSA-N -1 1 295.363 3.915 20 0 CHADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685435746 1119606940 /nfs/dbraw/zinc/60/69/40/1119606940.db2.gz VTRYXRYMLHFPPS-MNOVXSKESA-N -1 1 297.345 3.617 20 0 CHADMM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2c([O-])cccc2F)cc1C ZINC000613029451 1119851963 /nfs/dbraw/zinc/85/19/63/1119851963.db2.gz RBBOWHOXCTYCOU-UONOGXRCSA-N -1 1 299.345 3.890 20 0 CHADMM CCOc1cc(C(=O)N[C@@H](C)[C@@H](C)CC)cc(Cl)c1[O-] ZINC000186694134 1119998267 /nfs/dbraw/zinc/99/82/67/1119998267.db2.gz NZFXYUDDNXYGSN-UWVGGRQHSA-N -1 1 299.798 3.609 20 0 CHADMM O=C(Nc1ccc(Cl)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000190951257 1128893233 /nfs/dbraw/zinc/89/32/33/1128893233.db2.gz BXCVJJREUUKAPZ-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM Cn1cc([N-]c2nnc(C(C)(C)C)o2)c2ccccc21 ZINC001203413780 1120122380 /nfs/dbraw/zinc/12/23/80/1120122380.db2.gz ANKGMQMSPYXART-UHFFFAOYSA-N -1 1 270.336 3.602 20 0 CHADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000019840055 1120472285 /nfs/dbraw/zinc/47/22/85/1120472285.db2.gz BIBOMTKKSMOVPS-STQMWFEESA-N -1 1 283.371 3.664 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CCCC2)CC1 ZINC000062959699 1120817309 /nfs/dbraw/zinc/81/73/09/1120817309.db2.gz VXKBXTLZFZVPRZ-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000048652475 1120836467 /nfs/dbraw/zinc/83/64/67/1120836467.db2.gz YXAZQJOJTHMSHP-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000662032688 1120861548 /nfs/dbraw/zinc/86/15/48/1120861548.db2.gz DZWIRIDKJPHZDF-LBPRGKRZSA-N -1 1 283.371 3.949 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1C ZINC001174835873 1121052480 /nfs/dbraw/zinc/05/24/80/1121052480.db2.gz ZLYHFGIJVJWRNW-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2cccnc21 ZINC001174858686 1121068297 /nfs/dbraw/zinc/06/82/97/1121068297.db2.gz LNUAXCXGCWWKDK-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM CC(C)(C)c1nnc([N-]c2cc(F)c(F)c(F)c2)o1 ZINC001174954641 1121109423 /nfs/dbraw/zinc/10/94/23/1121109423.db2.gz LEUIMLMFYFASEX-UHFFFAOYSA-N -1 1 271.242 3.528 20 0 CHADMM COc1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001175010025 1121132046 /nfs/dbraw/zinc/13/20/46/1121132046.db2.gz FDCGSBKFZJMHAH-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CCOc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000070333830 1128969599 /nfs/dbraw/zinc/96/95/99/1128969599.db2.gz MVJZSQRABRLSAN-UHFFFAOYSA-N -1 1 291.734 3.697 20 0 CHADMM CCOc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175092745 1121181804 /nfs/dbraw/zinc/18/18/04/1121181804.db2.gz WIOXMQXDYAVMEM-UHFFFAOYSA-N -1 1 297.310 3.641 20 0 CHADMM C[C@@H](CCc1ccccc1F)C(=O)[N-]Oc1ccccc1 ZINC000773471276 1121221188 /nfs/dbraw/zinc/22/11/88/1121221188.db2.gz ZVOBTAYGBVOFDO-ZDUSSCGKSA-N -1 1 287.334 3.505 20 0 CHADMM CCOc1ccc(OC)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001175213542 1121227009 /nfs/dbraw/zinc/22/70/09/1121227009.db2.gz IQCFAFDDSLLVBW-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC000675229846 1121238759 /nfs/dbraw/zinc/23/87/59/1121238759.db2.gz YUQZYHUNQTZMJJ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CCc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1CC ZINC000436733835 1121241766 /nfs/dbraw/zinc/24/17/66/1121241766.db2.gz XYAONEMURQRRNS-UHFFFAOYSA-N -1 1 299.370 3.778 20 0 CHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000432664669 1121261442 /nfs/dbraw/zinc/26/14/42/1121261442.db2.gz GFGMFNZPJPKLOG-QMMMGPOBSA-N -1 1 296.779 3.703 20 0 CHADMM CCC(CC)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630888310 1128974421 /nfs/dbraw/zinc/97/44/21/1128974421.db2.gz CPMHDELJNZETKD-UHFFFAOYSA-N -1 1 295.810 3.768 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)ccc1Cl ZINC000645926885 1121279487 /nfs/dbraw/zinc/27/94/87/1121279487.db2.gz HOWHTWAGPFCPEH-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])cc(C)c1Cl ZINC000709795310 1121283077 /nfs/dbraw/zinc/28/30/77/1121283077.db2.gz DBIREQQVWYLKDA-UHFFFAOYSA-N -1 1 291.734 3.620 20 0 CHADMM CC(C)=CCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023771 1128979476 /nfs/dbraw/zinc/97/94/76/1128979476.db2.gz WQLSZJOSUFINPF-UHFFFAOYSA-N -1 1 264.394 3.816 20 0 CHADMM COc1cc(C)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001211726740 1121376607 /nfs/dbraw/zinc/37/66/07/1121376607.db2.gz VQHJNWYAISQRBI-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM CC(C)(C)C=CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175572849 1121393077 /nfs/dbraw/zinc/39/30/77/1121393077.db2.gz KVFPTRNWPZTOQM-MDZDMXLPSA-N -1 1 257.337 3.550 20 0 CHADMM Cc1n[nH]c2cc(Nc3cc(F)c([O-])cc3F)ccc12 ZINC001175662690 1121426553 /nfs/dbraw/zinc/42/65/53/1121426553.db2.gz AWOBIQCYHZOHQJ-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1cscc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175764861 1121456923 /nfs/dbraw/zinc/45/69/23/1121456923.db2.gz VSGQZETVSZOQRJ-UHFFFAOYSA-N -1 1 273.313 3.612 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cnn(C2CCCCC2)c1 ZINC001175877776 1121475414 /nfs/dbraw/zinc/47/54/14/1121475414.db2.gz BMDAMLRFJJLCPF-UHFFFAOYSA-N -1 1 292.770 3.886 20 0 CHADMM CCCc1c(C)[n-]n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000614187018 1121516507 /nfs/dbraw/zinc/51/65/07/1121516507.db2.gz OPUIGWTUFVVMRF-CYBMUJFWSA-N -1 1 298.308 3.840 20 0 CHADMM CCCc1c(C)[n-]n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000614188428 1121517869 /nfs/dbraw/zinc/51/78/69/1121517869.db2.gz BRAFOMJQDDYRTJ-CYBMUJFWSA-N -1 1 298.308 3.840 20 0 CHADMM Cc1c(Cl)cc(Nc2ccc(=O)[nH]c2)c([O-])c1Cl ZINC001176131255 1121561838 /nfs/dbraw/zinc/56/18/38/1121561838.db2.gz PIDPYHBGGRYOEE-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM O=C1CCc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001176237290 1121584759 /nfs/dbraw/zinc/58/47/59/1121584759.db2.gz FDVMUHLKJSATAL-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc2nonc2c1 ZINC001176326380 1121597245 /nfs/dbraw/zinc/59/72/45/1121597245.db2.gz XEZOESCZTHFMMW-UHFFFAOYSA-N -1 1 296.113 3.979 20 0 CHADMM CCOc1cc(F)c(F)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001211797153 1121597384 /nfs/dbraw/zinc/59/73/84/1121597384.db2.gz VPPBUGPLPOFWSU-UHFFFAOYSA-N -1 1 297.305 3.788 20 0 CHADMM CC(=O)Nc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669158 1121670857 /nfs/dbraw/zinc/67/08/57/1121670857.db2.gz FENQTJNMSLXCLU-UHFFFAOYSA-N -1 1 296.248 3.512 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2scnc2C2CC2)c1F ZINC001176670077 1121671709 /nfs/dbraw/zinc/67/17/09/1121671709.db2.gz QJGSQXTYTXUZSP-UHFFFAOYSA-N -1 1 286.278 3.887 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)c(F)cc2F)c1F ZINC001176671700 1121672642 /nfs/dbraw/zinc/67/26/42/1121672642.db2.gz MCKOGOGWJNDKCJ-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM Cc1cc(C)c(O)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671541 1121672968 /nfs/dbraw/zinc/67/29/68/1121672968.db2.gz GARGWYCYCBZLQR-UHFFFAOYSA-N -1 1 283.249 3.876 20 0 CHADMM COc1cccc(OC)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671390 1121673148 /nfs/dbraw/zinc/67/31/48/1121673148.db2.gz BSOFJQMXYHQBCD-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM Cc1cc(N)cc2c1ccn2-c1c(F)cc(F)c([O-])c1F ZINC001176671943 1121673270 /nfs/dbraw/zinc/67/32/70/1121673270.db2.gz ATHLEQRUWMNZAO-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM COc1ccc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673725 1121673712 /nfs/dbraw/zinc/67/37/12/1121673712.db2.gz YDNKNHOGTGBVHW-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCC(CC)N(CC)C(=O)c1c([O-])cccc1Cl ZINC000813856370 1121825589 /nfs/dbraw/zinc/82/55/89/1121825589.db2.gz BRGMBTLZDAHJCD-UHFFFAOYSA-N -1 1 269.772 3.696 20 0 CHADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1C ZINC001249965158 1121982558 /nfs/dbraw/zinc/98/25/58/1121982558.db2.gz YAFKWUQZIBLUEC-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1ccc(O)c(F)c1F ZINC001181752729 1122074947 /nfs/dbraw/zinc/07/49/47/1122074947.db2.gz JUCOJSISBMXSHN-MLGOLLRUSA-N -1 1 283.362 3.783 20 0 CHADMM COc1cccc(NCc2cccc([O-])c2Cl)c1F ZINC000689966759 1122106501 /nfs/dbraw/zinc/10/65/01/1122106501.db2.gz RULHSRTUBKFHMI-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CC[C@@H](C)CC[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674467 1122253559 /nfs/dbraw/zinc/25/35/59/1122253559.db2.gz HZBVELCLKPSEIT-GHMZBOCLSA-N -1 1 280.364 3.894 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001185012369 1122307019 /nfs/dbraw/zinc/30/70/19/1122307019.db2.gz DPSRLBOBHXROOG-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM Cc1ccc(CNC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001185403746 1122338092 /nfs/dbraw/zinc/33/80/92/1122338092.db2.gz YMXCPHIFPPUXCL-UHFFFAOYSA-N -1 1 290.750 3.676 20 0 CHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1ccc(F)cc1[O-] ZINC001185757642 1122359545 /nfs/dbraw/zinc/35/95/45/1122359545.db2.gz DSBNNGOYNUMXIV-UHFFFAOYSA-N -1 1 286.306 3.664 20 0 CHADMM O=C(Nc1ccc(-n2cccc2)cc1)c1ccc([O-])c(F)c1 ZINC001186202334 1122379371 /nfs/dbraw/zinc/37/93/71/1122379371.db2.gz OSDMEYNDNPCXMM-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM O=C(Nc1cc2ccccc2s1)c1ccc([O-])cc1F ZINC001186310592 1122384151 /nfs/dbraw/zinc/38/41/51/1122384151.db2.gz GKQBDFOXLDNOAO-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000620368164 1129053497 /nfs/dbraw/zinc/05/34/97/1129053497.db2.gz HAQFKHHNOFMUKC-SNVBAGLBSA-N -1 1 297.345 3.617 20 0 CHADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187385024 1122427830 /nfs/dbraw/zinc/42/78/30/1122427830.db2.gz NEIHTJIZYFZYTL-BDAKNGLRSA-N -1 1 295.857 3.505 20 0 CHADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1F ZINC001187985643 1122449235 /nfs/dbraw/zinc/44/92/35/1122449235.db2.gz HZBSOBAQFAAAPS-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CSc1cccc(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001188047818 1122450940 /nfs/dbraw/zinc/45/09/40/1122450940.db2.gz VIXRWFHZXVJRLJ-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM Cc1nc(SCc2ccccc2CF)[n-]c(=O)c1C ZINC001189060602 1122487049 /nfs/dbraw/zinc/48/70/49/1122487049.db2.gz CKMVBGDKQTUFGQ-UHFFFAOYSA-N -1 1 278.352 3.561 20 0 CHADMM O=S(=O)(CCCF)[N-]c1cc(-c2ccccc2)cs1 ZINC001189870256 1122517847 /nfs/dbraw/zinc/51/78/47/1122517847.db2.gz PJDIPEXOSWAIGI-UHFFFAOYSA-N -1 1 299.392 3.516 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCCC[C@H]1C ZINC000436570211 1122562882 /nfs/dbraw/zinc/56/28/82/1122562882.db2.gz NTSGTBJPTQTWLW-RISCZKNCSA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436586716 1122564009 /nfs/dbraw/zinc/56/40/09/1122564009.db2.gz MZCHAAPFDPKWDM-AWEZNQCLSA-N -1 1 293.382 3.962 20 0 CHADMM CCc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436692041 1122572965 /nfs/dbraw/zinc/57/29/65/1122572965.db2.gz WJFCVLSWUKZYPT-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM Cc1c[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1C ZINC001191159299 1122578103 /nfs/dbraw/zinc/57/81/03/1122578103.db2.gz PQSUUIHTHSLPRS-UHFFFAOYSA-N -1 1 298.264 3.608 20 0 CHADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C1CC1 ZINC000436799636 1122582047 /nfs/dbraw/zinc/58/20/47/1122582047.db2.gz QHNJOQMEJSMYLY-QGZVFWFLSA-N -1 1 295.382 3.806 20 0 CHADMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])cc1F ZINC000436805967 1122584323 /nfs/dbraw/zinc/58/43/23/1122584323.db2.gz GPHXVOORLPCHDF-CQSZACIVSA-N -1 1 299.345 3.508 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2cc(Cl)ccc2[O-])CC12CCC2 ZINC000436830292 1122585352 /nfs/dbraw/zinc/58/53/52/1122585352.db2.gz VAJUOIGAJIHXBU-AWEZNQCLSA-N -1 1 293.794 3.696 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000436827988 1122586413 /nfs/dbraw/zinc/58/64/13/1122586413.db2.gz WHMWYTVWQXEDSK-CHWSQXEVSA-N -1 1 293.382 3.866 20 0 CHADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000436827993 1122586583 /nfs/dbraw/zinc/58/65/83/1122586583.db2.gz WHMWYTVWQXEDSK-STQMWFEESA-N -1 1 293.382 3.866 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC(C)(C)C1 ZINC000436840947 1122588452 /nfs/dbraw/zinc/58/84/52/1122588452.db2.gz YEJRQUKLEPAQKA-JTQLQIEISA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H](Cc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436878257 1122590371 /nfs/dbraw/zinc/59/03/71/1122590371.db2.gz JFVAFIQHAOXCBX-LLVKDONJSA-N -1 1 298.317 3.928 20 0 CHADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436879193 1122591332 /nfs/dbraw/zinc/59/13/32/1122591332.db2.gz JJUZGLHXIOQCMY-IAQYHMDHSA-N -1 1 279.355 3.620 20 0 CHADMM CC(C)(C)C(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633194014 1129065025 /nfs/dbraw/zinc/06/50/25/1129065025.db2.gz HGGFRLAXRRXPJF-UHFFFAOYSA-N -1 1 283.799 3.529 20 0 CHADMM CC(C)CC1(C)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436924272 1122595038 /nfs/dbraw/zinc/59/50/38/1122595038.db2.gz WLAJXVVURBXAIN-UHFFFAOYSA-N -1 1 293.382 3.820 20 0 CHADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1OC(C)C ZINC000436940335 1122596971 /nfs/dbraw/zinc/59/69/71/1122596971.db2.gz VPDZWSFNLHWWEA-UHFFFAOYSA-N -1 1 285.343 3.740 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000436984815 1122602405 /nfs/dbraw/zinc/60/24/05/1122602405.db2.gz BEUBKJGCNGJZAJ-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC001192553258 1122651020 /nfs/dbraw/zinc/65/10/20/1122651020.db2.gz ZGDYWRDYIGXFTB-NXEZZACHSA-N -1 1 297.345 3.615 20 0 CHADMM C[C@@H](NC(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC001193136753 1122679721 /nfs/dbraw/zinc/67/97/21/1122679721.db2.gz SRHKFOTWLYNDIJ-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM C[C@@H](NC(=O)Nc1cccc(F)c1[O-])c1ccc(F)cc1 ZINC001193143081 1122679901 /nfs/dbraw/zinc/67/99/01/1122679901.db2.gz QJRKQDABARHQIF-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM CCCCCOC(=O)Nc1cccc([O-])c1Cl ZINC001193769132 1122719471 /nfs/dbraw/zinc/71/94/71/1122719471.db2.gz FQASLITXNJWABX-UHFFFAOYSA-N -1 1 257.717 3.784 20 0 CHADMM CC(C)(C)COC(=O)Nc1ccc(Cl)cc1[O-] ZINC001194386765 1122770615 /nfs/dbraw/zinc/77/06/15/1122770615.db2.gz LAWFCFBVHHIZCY-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM Cc1ccc(OC(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001194463518 1122776815 /nfs/dbraw/zinc/77/68/15/1122776815.db2.gz MXAMWCNWAQIOMT-UHFFFAOYSA-N -1 1 279.242 3.590 20 0 CHADMM CC(C)CCOC(=O)Nc1cccc([O-])c1Cl ZINC001194874405 1122815057 /nfs/dbraw/zinc/81/50/57/1122815057.db2.gz DDJMSTXUIQWGAN-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM COc1ccccc1OC(=O)Nc1c([O-])cccc1Cl ZINC001195265522 1122858991 /nfs/dbraw/zinc/85/89/91/1122858991.db2.gz WHVBMZKYVSHSNK-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1c(C)ccc2ccccc21 ZINC001195449503 1122868699 /nfs/dbraw/zinc/86/86/99/1122868699.db2.gz YJRXKTFODCUCKO-UHFFFAOYSA-N -1 1 288.372 3.591 20 0 CHADMM [O-]c1ccc(NC(=S)Nc2ccccc2F)c(F)c1F ZINC001195772943 1122887101 /nfs/dbraw/zinc/88/71/01/1122887101.db2.gz FZWQPTAZNSPSMN-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM C[C@H](C1CC1)N(C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000633845003 1129092202 /nfs/dbraw/zinc/09/22/02/1129092202.db2.gz IMGPJQXNONGBBA-GFCCVEGCSA-N -1 1 297.354 3.543 20 0 CHADMM [O-]c1c(Cl)cc(Br)cc1Nc1cnoc1 ZINC001203246209 1123041319 /nfs/dbraw/zinc/04/13/19/1123041319.db2.gz BRPAIJIPSYNREA-UHFFFAOYSA-N -1 1 289.516 3.540 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2c(C)cc(C)cc2C)n1 ZINC000188118085 1123044964 /nfs/dbraw/zinc/04/49/64/1123044964.db2.gz UATCKISGOGODHL-UHFFFAOYSA-N -1 1 288.416 3.550 20 0 CHADMM [O-]c1cccc(NC(=S)NCC2CCCCC2)c1Cl ZINC001199927264 1123047791 /nfs/dbraw/zinc/04/77/91/1123047791.db2.gz RYARCIBRJUOIQH-UHFFFAOYSA-N -1 1 298.839 3.912 20 0 CHADMM CCCCCCNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001200957391 1123069385 /nfs/dbraw/zinc/06/93/85/1123069385.db2.gz QLIMPEJFSGNUCW-UHFFFAOYSA-N -1 1 288.363 3.537 20 0 CHADMM O=c1[n-]c(F)c(Cl)c(N=C2CCSCC2)c1Cl ZINC001201332275 1123084887 /nfs/dbraw/zinc/08/48/87/1123084887.db2.gz OCGHGQKYKCRSPS-UHFFFAOYSA-N -1 1 295.166 3.666 20 0 CHADMM [O-]c1cc(Nc2cnn(C(F)F)c2)c(F)cc1Cl ZINC001201738115 1123143588 /nfs/dbraw/zinc/14/35/88/1123143588.db2.gz KNVRGKCMBOOUAX-UHFFFAOYSA-N -1 1 277.633 3.520 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1c([O-])cccc1F ZINC001202206337 1123187172 /nfs/dbraw/zinc/18/71/72/1123187172.db2.gz BGSDZYCCZKCALU-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001202208731 1123187603 /nfs/dbraw/zinc/18/76/03/1123187603.db2.gz WRQXEHNSUFVMID-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=c1cc(CSCc2ccco2)c2ccc([O-])cc2o1 ZINC000193781627 1129113297 /nfs/dbraw/zinc/11/32/97/1129113297.db2.gz UELDFGUMIDMACQ-UHFFFAOYSA-N -1 1 288.324 3.525 20 0 CHADMM CCCc1[n-]n(-c2cccc3cnccc32)c(=O)c1CC ZINC000634622419 1129121773 /nfs/dbraw/zinc/12/17/73/1129121773.db2.gz DREFPVKNOOQAMK-ZDUSSCGKSA-N -1 1 281.359 3.764 20 0 CHADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676946 1123480973 /nfs/dbraw/zinc/48/09/73/1123480973.db2.gz XQTQOPQCBLXARI-SFYZADRCSA-N -1 1 273.735 3.805 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C12CCC(CC1)C2 ZINC000885677006 1123481496 /nfs/dbraw/zinc/48/14/96/1123481496.db2.gz YNDYRZOEVIJPRP-UHFFFAOYSA-N -1 1 283.730 3.704 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1=CCCCC1 ZINC000885678752 1123484249 /nfs/dbraw/zinc/48/42/49/1123484249.db2.gz VKVKJEWTQAVUTD-UHFFFAOYSA-N -1 1 269.703 3.624 20 0 CHADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678959 1123484355 /nfs/dbraw/zinc/48/43/55/1123484355.db2.gz ZHCBJTJUDMKCCU-IUCAKERBSA-N -1 1 285.746 3.950 20 0 CHADMM CN(Cc1ccsc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000035123763 1123527728 /nfs/dbraw/zinc/52/77/28/1123527728.db2.gz WRTXBDCGXUPOPW-UHFFFAOYSA-N -1 1 297.379 3.879 20 0 CHADMM CC(C)c1nc(C(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000339007902 1123624450 /nfs/dbraw/zinc/62/44/50/1123624450.db2.gz WMAZQBLKKLNNRW-UHFFFAOYSA-N -1 1 296.779 3.878 20 0 CHADMM CCCN(CC1CCCCC1)c1cc(Cl)[n-]c(=O)n1 ZINC000858360568 1123647927 /nfs/dbraw/zinc/64/79/27/1123647927.db2.gz RPRXBLPXIVEXHE-UHFFFAOYSA-N -1 1 283.803 3.632 20 0 CHADMM CC(C)CC[C@@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389567 1123650314 /nfs/dbraw/zinc/65/03/14/1123650314.db2.gz XLMIITSIVJQHPW-WDEREUQCSA-N -1 1 283.803 3.852 20 0 CHADMM CSc1cccnc1[N-]C(=O)c1csc(C(C)C)n1 ZINC000652876275 1123708692 /nfs/dbraw/zinc/70/86/92/1123708692.db2.gz PTAZJDILQVGVOW-UHFFFAOYSA-N -1 1 293.417 3.636 20 0 CHADMM CCCOCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000863321135 1123860972 /nfs/dbraw/zinc/86/09/72/1123860972.db2.gz LGSVQEQGWPKUDI-UHFFFAOYSA-N -1 1 290.388 3.634 20 0 CHADMM Cc1ccc(C)c(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445456573 1124084482 /nfs/dbraw/zinc/08/44/82/1124084482.db2.gz JNUUOOWIFLXJHJ-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)s3)n2)c(F)c1 ZINC000445455550 1124084857 /nfs/dbraw/zinc/08/48/57/1124084857.db2.gz PWTNQEFJAPIXGG-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)cc3)n2)c(F)c1 ZINC000445456151 1124085571 /nfs/dbraw/zinc/08/55/71/1124085571.db2.gz SEPVLLMICXSEQC-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM C[C@H](c1ccsc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458290 1124085877 /nfs/dbraw/zinc/08/58/77/1124085877.db2.gz RRUBKSIYTWKETB-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C\c3cccs3)n2)cc1F ZINC000445482167 1124086516 /nfs/dbraw/zinc/08/65/16/1124086516.db2.gz PATKMMRQUQZHGF-XQRVVYSFSA-N -1 1 288.303 3.813 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(C)cc2Cl)n1 ZINC000446074179 1124109204 /nfs/dbraw/zinc/10/92/04/1124109204.db2.gz QXUHXVFGKSNQDJ-UHFFFAOYSA-N -1 1 294.807 3.999 20 0 CHADMM CC(C)c1nsc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872727189 1124727895 /nfs/dbraw/zinc/72/78/95/1124727895.db2.gz ZKUNIDJKYMZVHN-UHFFFAOYSA-N -1 1 283.784 3.633 20 0 CHADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000876394730 1124943919 /nfs/dbraw/zinc/94/39/19/1124943919.db2.gz NNQIFFPKRLWRCR-UHFFFAOYSA-N -1 1 296.798 3.520 20 0 CHADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC001142234039 1125025934 /nfs/dbraw/zinc/02/59/34/1125025934.db2.gz PHRMSFBCWVVSTH-TZMCWYRMSA-N -1 1 293.382 3.868 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC[C@@H]1C1CC1 ZINC000530006498 1125109471 /nfs/dbraw/zinc/10/94/71/1125109471.db2.gz UBRUOSRNRZFHGN-VXGBXAGGSA-N -1 1 277.339 3.686 20 0 CHADMM COc1cccc(OC)c1-c1ccc(Cl)c([O-])c1 ZINC000228270986 1125123220 /nfs/dbraw/zinc/12/32/20/1125123220.db2.gz ZGOGYCIWIWTBBT-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM CC(C)(CC(=O)Nc1c([O-])cccc1F)CC(F)F ZINC000878866444 1125183666 /nfs/dbraw/zinc/18/36/66/1125183666.db2.gz LCYCFFSGLWUAJP-UHFFFAOYSA-N -1 1 275.270 3.541 20 0 CHADMM Cc1nc2ccc(Nc3cc([O-])c(F)c(F)c3)cc2o1 ZINC001213067776 1125290988 /nfs/dbraw/zinc/29/09/88/1125290988.db2.gz XKOYUGMUIKHXNA-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM O=C(NCCCC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000225337164 1125352144 /nfs/dbraw/zinc/35/21/44/1125352144.db2.gz ZZQFMOOJYSFUGD-UHFFFAOYSA-N -1 1 281.783 3.746 20 0 CHADMM CCCC[C@H](CCC)NC(=O)c1ccc(F)c([O-])c1 ZINC001137185381 1125375909 /nfs/dbraw/zinc/37/59/09/1125375909.db2.gz SRHJTPKJJJRYPP-LBPRGKRZSA-N -1 1 267.344 3.620 20 0 CHADMM C[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136511402 1131353547 /nfs/dbraw/zinc/35/35/47/1131353547.db2.gz DGHOMDMMWUDVAR-WCQYABFASA-N -1 1 295.810 3.531 20 0 CHADMM CCCNC(=O)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001202593961 1125441151 /nfs/dbraw/zinc/44/11/51/1125441151.db2.gz WHASTGXASQEFAR-UHFFFAOYSA-N -1 1 296.676 3.596 20 0 CHADMM C[C@@H](CC1CCCCC1)NC(=O)c1c([O-])cccc1F ZINC000622561659 1129265304 /nfs/dbraw/zinc/26/53/04/1129265304.db2.gz MPOWRCALUZWLMO-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM O=C(/C=C\c1ccc(Cl)cc1)c1cc(O)ccc1[O-] ZINC000090486036 1129298841 /nfs/dbraw/zinc/29/88/41/1129298841.db2.gz OOLMNZOGBQYPRK-CLTKARDFSA-N -1 1 274.703 3.647 20 0 CHADMM C[C@H]1CC(NC(=O)c2c([O-])cccc2Cl)C[C@H](C)C1 ZINC000740142702 1129411457 /nfs/dbraw/zinc/41/14/57/1129411457.db2.gz WPJGDDXMFZEYEJ-NXEZZACHSA-N -1 1 281.783 3.600 20 0 CHADMM O=C(CSc1ccccc1F)c1ccc([O-])cc1 ZINC000035044956 1129427747 /nfs/dbraw/zinc/42/77/47/1129427747.db2.gz SOXOVLNJCOOYND-UHFFFAOYSA-N -1 1 262.305 3.506 20 0 CHADMM [O-]c1cc(F)c(-c2cc(C(F)(F)F)ccn2)c(F)c1 ZINC001241116393 1129454929 /nfs/dbraw/zinc/45/49/29/1129454929.db2.gz ACRACABXPKPDIB-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM CCC[C@H](CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000643966986 1129455797 /nfs/dbraw/zinc/45/57/97/1129455797.db2.gz ATSKOLAJLLVXNW-JTQLQIEISA-N -1 1 289.297 3.720 20 0 CHADMM Cc1c(F)cc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241120763 1129458121 /nfs/dbraw/zinc/45/81/21/1129458121.db2.gz KAVVBMSWTXFIBV-UHFFFAOYSA-N -1 1 256.198 3.924 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3ncsc3c2)c(F)c1 ZINC001241122715 1129459865 /nfs/dbraw/zinc/45/98/65/1129459865.db2.gz WNEJSJBUXPCBOV-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM O=C(Nc1cnc(-c2ccccc2)s1)c1ccccc1[O-] ZINC001137550007 1131377703 /nfs/dbraw/zinc/37/77/03/1131377703.db2.gz AOYPEWFFFXUGII-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM [O-]c1ccc(-c2noc(C3CC4(CCC4)C3)n2)cc1F ZINC000647399586 1129576522 /nfs/dbraw/zinc/57/65/22/1129576522.db2.gz ORDBBLLUGLPJNK-UHFFFAOYSA-N -1 1 274.295 3.629 20 0 CHADMM C[C@@H](CC(=O)[O-])Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000416424091 1129608084 /nfs/dbraw/zinc/60/80/84/1129608084.db2.gz AJVBQCTZPWKFOX-QMMMGPOBSA-N -1 1 298.264 3.529 20 0 CHADMM O=C([N-]c1c(F)cc(F)cc1F)c1coc(C2CCC2)n1 ZINC000194519228 1129648238 /nfs/dbraw/zinc/64/82/38/1129648238.db2.gz MQKPFZARZXRTBH-UHFFFAOYSA-N -1 1 296.248 3.612 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N(c1ccccc1)C1CCC1 ZINC001168808835 1129673686 /nfs/dbraw/zinc/67/36/86/1129673686.db2.gz OMHHIXPYDQFWHZ-UHFFFAOYSA-N -1 1 285.318 3.731 20 0 CHADMM [O-]c1cc(F)ccc1-c1cc2ccncc2cc1F ZINC001242219968 1129694788 /nfs/dbraw/zinc/69/47/88/1129694788.db2.gz YDNRZCYVOIGEPX-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(C2CC2)c1 ZINC000650419586 1129708684 /nfs/dbraw/zinc/70/86/84/1129708684.db2.gz FJGDGZNEOZFPMR-NSHDSACASA-N -1 1 299.345 3.900 20 0 CHADMM Nc1ccc2nn(-c3ccc(Cl)c([O-])c3)cc2c1Cl ZINC001212593361 1129744170 /nfs/dbraw/zinc/74/41/70/1129744170.db2.gz NANHDFFDIMFRQB-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM Cc1cc([C@H](C)N(C)Cc2ccsc2)oc1C(=O)[O-] ZINC000652380051 1129764339 /nfs/dbraw/zinc/76/43/39/1129764339.db2.gz CHVMXHISVGESMZ-JTQLQIEISA-N -1 1 279.361 3.541 20 0 CHADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000767300688 1129784764 /nfs/dbraw/zinc/78/47/64/1129784764.db2.gz ILSDOSHVJZXEME-UHFFFAOYSA-N -1 1 293.725 3.851 20 0 CHADMM Cc1cn2cc(-c3cccc(Cl)c3[O-])ccc2n1 ZINC001242367004 1129797966 /nfs/dbraw/zinc/79/79/66/1129797966.db2.gz UYAJNEWDYLVJRI-UHFFFAOYSA-N -1 1 258.708 3.669 20 0 CHADMM C[C@H](c1ccccc1)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000767910298 1129822364 /nfs/dbraw/zinc/82/23/64/1129822364.db2.gz BQUKLVQZIOKIFO-GFCCVEGCSA-N -1 1 299.345 3.897 20 0 CHADMM CSc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000039971424 1129853312 /nfs/dbraw/zinc/85/33/12/1129853312.db2.gz UYSDUVZWJFBTRC-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM CC(C)N(C(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000769762382 1129922536 /nfs/dbraw/zinc/92/25/36/1129922536.db2.gz HKNSDJPWUHCWHL-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM CC(C)C[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769742853 1129923557 /nfs/dbraw/zinc/92/35/57/1129923557.db2.gz IQZRCFZQWWJQSR-NSHDSACASA-N -1 1 281.783 3.696 20 0 CHADMM Cc1c(NC(=O)c2ccc(C(C)C)cc2[O-])n[nH]c1C1CC1 ZINC000769750562 1129924507 /nfs/dbraw/zinc/92/45/07/1129924507.db2.gz DNLCZVMXFRKNIB-UHFFFAOYSA-N -1 1 299.374 3.677 20 0 CHADMM C[C@H]1CCC[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769918220 1129929502 /nfs/dbraw/zinc/92/95/02/1129929502.db2.gz OETFDGBVEMCNET-QWRGUYRKSA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769874174 1129930167 /nfs/dbraw/zinc/93/01/67/1129930167.db2.gz ZNRYLIDKLXEXNT-LBPRGKRZSA-N -1 1 281.783 3.696 20 0 CHADMM CCCCCCOCc1nc(-c2ccc([O-])cc2F)no1 ZINC000771213886 1129974998 /nfs/dbraw/zinc/97/49/98/1129974998.db2.gz XUXHCXFLLZLAAA-UHFFFAOYSA-N -1 1 294.326 3.678 20 0 CHADMM CCc1oc(CN[C@H]2CCc3c2cccc3C)cc1C(=O)[O-] ZINC000902230857 1129992474 /nfs/dbraw/zinc/99/24/74/1129992474.db2.gz JODLOIIZVOWGAI-INIZCTEOSA-N -1 1 299.370 3.626 20 0 CHADMM Cc1c2[nH]cnc2ccc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206031544 1130006445 /nfs/dbraw/zinc/00/64/45/1130006445.db2.gz MCNNPRFYVJYORV-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM Cc1cc(CN[C@@H]2CCCc3c(C)cccc32)oc1C(=O)[O-] ZINC000902465400 1130014136 /nfs/dbraw/zinc/01/41/36/1130014136.db2.gz LEEANOAKUAYBFF-MRXNPFEDSA-N -1 1 299.370 3.762 20 0 CHADMM [O-]c1cccc(-c2cnc3ccc(F)cc3n2)c1Cl ZINC001242797904 1130049145 /nfs/dbraw/zinc/04/91/45/1130049145.db2.gz ORALXAACMNCKFB-UHFFFAOYSA-N -1 1 274.682 3.795 20 0 CHADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1c([O-])cccc1F ZINC000790725090 1130327591 /nfs/dbraw/zinc/32/75/91/1130327591.db2.gz HYOMILPAEVXFRR-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1c(F)cccc1F ZINC000677892456 1130337914 /nfs/dbraw/zinc/33/79/14/1130337914.db2.gz XKWMWCXDBBNQTJ-QMMMGPOBSA-N -1 1 295.260 3.552 20 0 CHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000678307589 1130396423 /nfs/dbraw/zinc/39/64/23/1130396423.db2.gz BLCLIMBPOQBWMF-INIZCTEOSA-N -1 1 299.345 3.755 20 0 CHADMM COC(=O)c1cc(-c2cc(F)ccc2[O-])nc2ccccc21 ZINC001240693763 1130421597 /nfs/dbraw/zinc/42/15/97/1130421597.db2.gz HQWDDOFXYFVSHX-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM COC(=O)c1cccc2cnc(-c3cc(F)ccc3[O-])cc21 ZINC001240695146 1130421911 /nfs/dbraw/zinc/42/19/11/1130421911.db2.gz CCWVCBUIOBZXDF-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM COc1ccccc1-c1cc(-c2cc(F)ccc2[O-])ncn1 ZINC001240695391 1130422369 /nfs/dbraw/zinc/42/23/69/1130422369.db2.gz JJPZSKQBJAPFQR-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM COc1cc2cnc(-c3cc(F)ccc3[O-])cc2cc1F ZINC001240696187 1130422529 /nfs/dbraw/zinc/42/25/29/1130422529.db2.gz GAEHAZUVEZBDCW-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM [O-]c1ccc(-c2ncnc3sc4c(c32)CCC4)cc1F ZINC001240782931 1130468889 /nfs/dbraw/zinc/46/88/89/1130468889.db2.gz KYQNBSRRQQHTDL-UHFFFAOYSA-N -1 1 286.331 3.692 20 0 CHADMM CCc1cc2c(ncnc2-c2ccc([O-])c(F)c2)s1 ZINC001240781833 1130469074 /nfs/dbraw/zinc/46/90/74/1130469074.db2.gz JYLLGEPDLRFTAC-UHFFFAOYSA-N -1 1 274.320 3.765 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3cccc(F)c3)nn2)cc1F ZINC001240786052 1130469509 /nfs/dbraw/zinc/46/95/09/1130469509.db2.gz JGPBXXFHQXJZND-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM CC(C)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000678959573 1130478325 /nfs/dbraw/zinc/47/83/25/1130478325.db2.gz ZPKQHRPGUDWZQH-UHFFFAOYSA-N -1 1 289.297 3.529 20 0 CHADMM Cc1ccc2c(c1)/C(=C\c1ccc([O-])c(Cl)c1)C(=O)N2C ZINC000811700206 1130640134 /nfs/dbraw/zinc/64/01/34/1130640134.db2.gz IHVREAWMYJWAOF-MDWZMJQESA-N -1 1 299.757 3.871 20 0 CHADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000812794046 1130718606 /nfs/dbraw/zinc/71/86/06/1130718606.db2.gz OLNWKVMOFFVTEQ-QMMMGPOBSA-N -1 1 288.174 3.697 20 0 CHADMM Cc1cc(-c2ccc(C=CC(=O)[O-])cc2)cc2nc[nH]c21 ZINC001235268558 1130730747 /nfs/dbraw/zinc/73/07/47/1130730747.db2.gz HEWKPIRBMLNNQH-QPJJXVBHSA-N -1 1 278.311 3.636 20 0 CHADMM CC[C@H](C)CON=c1nc(-c2ccccc2)[n-]s1 ZINC000813621566 1130777860 /nfs/dbraw/zinc/77/78/60/1130777860.db2.gz ABNHZYSWXRWDTB-JTQLQIEISA-N -1 1 263.366 3.595 20 0 CHADMM O=C(OCCCc1ccsc1)c1c([O-])cc(F)cc1F ZINC000783135454 1130798387 /nfs/dbraw/zinc/79/83/87/1130798387.db2.gz BXQYWSLZZVWUJB-UHFFFAOYSA-N -1 1 298.310 3.522 20 0 CHADMM O=C([O-])c1c(Cl)ccc(-c2cccc3nc[nH]c32)c1F ZINC001236151963 1130875894 /nfs/dbraw/zinc/87/58/94/1130875894.db2.gz HHDIROGQMDPAKV-UHFFFAOYSA-N -1 1 290.681 3.721 20 0 CHADMM Cc1ccc(F)c(-c2ccc(COC(C)C)cn2)c1[O-] ZINC001236393090 1130926768 /nfs/dbraw/zinc/92/67/68/1130926768.db2.gz SZSHDJFLWQEUKC-UHFFFAOYSA-N -1 1 275.323 3.827 20 0 CHADMM Cc1ccc(F)c(-c2cncc(-c3ccccc3)n2)c1[O-] ZINC001236394371 1130927012 /nfs/dbraw/zinc/92/70/12/1130927012.db2.gz XASZGZPHEZUXSP-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1cccc(C)c1CNCc1cccc(O)c1Cl ZINC000815129399 1130960809 /nfs/dbraw/zinc/96/08/09/1130960809.db2.gz NLUUAVFHUGTFGV-UHFFFAOYSA-N -1 1 275.779 3.952 20 0 CHADMM C/C(=C/Cl)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000797808396 1131003700 /nfs/dbraw/zinc/00/37/00/1131003700.db2.gz HXHSJUSSNUAPSZ-TWGQIWQCSA-N -1 1 296.775 3.874 20 0 CHADMM CCN(Cc1ccncc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990492 1131158634 /nfs/dbraw/zinc/15/86/34/1131158634.db2.gz OEFDJJOOHLQXLV-UHFFFAOYSA-N -1 1 294.757 3.602 20 0 CHADMM COC(=O)c1cc(F)cc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832742 1131203236 /nfs/dbraw/zinc/20/32/36/1131203236.db2.gz UHWFWIMGEYYLSF-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM O=C(c1cccc([O-])c1F)N1CCCCCc2ccccc21 ZINC001136908722 1131478399 /nfs/dbraw/zinc/47/83/99/1131478399.db2.gz HTAHHUGWTAJNEZ-UHFFFAOYSA-N -1 1 299.345 3.905 20 0 CHADMM C[C@H]1CC[C@H](Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227881264 1131758283 /nfs/dbraw/zinc/75/82/83/1131758283.db2.gz KTMLIYODGBROIT-MGCOHNPYSA-N -1 1 275.377 3.645 20 0 CHADMM CC[C@](C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC001147809494 1131834407 /nfs/dbraw/zinc/83/44/07/1131834407.db2.gz INSOMBPGFPNDED-SFHVURJKSA-N -1 1 299.370 3.560 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@@H]1C ZINC001228556765 1131909034 /nfs/dbraw/zinc/90/90/34/1131909034.db2.gz RECNSQKUHDKPQU-IINYFYTJSA-N -1 1 278.348 3.648 20 0 CHADMM [O-]c1c(Cl)cc(CN2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001140833344 1131941540 /nfs/dbraw/zinc/94/15/40/1131941540.db2.gz RTGVYECNVAZYDH-WCBMZHEXSA-N -1 1 272.175 3.683 20 0 CHADMM [O-]c1c(Cl)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001140832922 1131942568 /nfs/dbraw/zinc/94/25/68/1131942568.db2.gz MRCPVYNSKJSGCJ-AUTRQRHGSA-N -1 1 290.165 3.631 20 0 CHADMM Cc1ccc2c(c1)CCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140895199 1131957971 /nfs/dbraw/zinc/95/79/71/1131957971.db2.gz KZSIBRSHGCYBKJ-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140988174 1131979677 /nfs/dbraw/zinc/97/96/77/1131979677.db2.gz QMQWWAGCKDEEQR-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CCc1ccc(C[N@H+](C)Cc2cc(F)c(O)c(F)c2)cc1 ZINC001140991143 1131979918 /nfs/dbraw/zinc/97/99/18/1131979918.db2.gz ZEZUCJSXUIJXTA-UHFFFAOYSA-N -1 1 291.341 3.865 20 0 CHADMM Cc1cccc2c1CCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140987957 1131980058 /nfs/dbraw/zinc/98/00/58/1131980058.db2.gz IGQJYJXHDPQHKI-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CC1(C)CCC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229135860 1132025397 /nfs/dbraw/zinc/02/53/97/1132025397.db2.gz RKORTTBWGRFKQF-LBPRGKRZSA-N -1 1 288.343 3.846 20 0 CHADMM CC[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)(C)C ZINC001229136349 1132026275 /nfs/dbraw/zinc/02/62/75/1132026275.db2.gz WJRJEKJGIPCPLS-AWEZNQCLSA-N -1 1 276.332 3.702 20 0 CHADMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@@H]1C=CCC1 ZINC001229260420 1132046171 /nfs/dbraw/zinc/04/61/71/1132046171.db2.gz SCTFOHXHYUOFKU-MRXNPFEDSA-N 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CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001225673922 1135606974 /nfs/dbraw/zinc/60/69/74/1135606974.db2.gz BSQRQOBNMHHMLT-GPCCPHFNSA-N -1 1 278.348 3.504 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccc(O[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001225807586 1135625383 /nfs/dbraw/zinc/62/53/83/1135625383.db2.gz JDKRQDWGMIAUQL-JLVBRIDZSA-N -1 1 294.350 3.801 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCC[C@H](C)C3)c12 ZINC001226484604 1135703620 /nfs/dbraw/zinc/70/36/20/1135703620.db2.gz GHRLTYZGSZBTTJ-GWCFXTLKSA-N -1 1 288.343 3.765 20 0 CHADMM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)nc(C)c1Cl ZINC001227115648 1135787919 /nfs/dbraw/zinc/78/79/19/1135787919.db2.gz GVVGTRXFDALMPQ-LBPRGKRZSA-N -1 1 290.750 3.519 20 0 CHADMM CCCCC[C@@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227168264 1135793993 /nfs/dbraw/zinc/79/39/93/1135793993.db2.gz HKSQQVIXOQIKEN-CQSZACIVSA-N -1 1 294.391 3.959 20 0 CHADMM CC[C@H](C[C@@H](C)CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227168525 1135794098 /nfs/dbraw/zinc/79/40/98/1135794098.db2.gz 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ZINC000445446435 330361174 /nfs/dbraw/zinc/36/11/74/330361174.db2.gz OXDFWCMPSNTMES-MRVPVSSYSA-N -1 1 266.728 3.999 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc43)n2)c(Cl)c1 ZINC000445448193 330367561 /nfs/dbraw/zinc/36/75/61/330367561.db2.gz KGRBWALVQZBDSL-CYBMUJFWSA-N -1 1 298.729 3.784 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000445452929 330496010 /nfs/dbraw/zinc/49/60/10/330496010.db2.gz GPPBTQLONUVXAB-UHFFFAOYSA-N -1 1 276.679 3.664 20 0 CHADMM CC(C)c1ccc2nc(-c3cscn3)[n-]c(=O)c2c1 ZINC000432510638 330600069 /nfs/dbraw/zinc/60/00/69/330600069.db2.gz AFIFDFMVQBCYER-UHFFFAOYSA-N -1 1 271.345 3.582 20 0 CHADMM CCCc1ccc(CSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000436195850 330670636 /nfs/dbraw/zinc/67/06/36/330670636.db2.gz TYESXXPIYGUQQG-UHFFFAOYSA-N -1 1 288.416 3.989 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)s2)n1 ZINC000436210483 330671005 /nfs/dbraw/zinc/67/10/05/330671005.db2.gz NDIIWINSNOGNQI-UHFFFAOYSA-N -1 1 286.809 3.752 20 0 CHADMM CC(C)(C)OCCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436250486 330671864 /nfs/dbraw/zinc/67/18/64/330671864.db2.gz YRNCNWDPZLTNEZ-UHFFFAOYSA-N -1 1 296.436 3.747 20 0 CHADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436559879 330680073 /nfs/dbraw/zinc/68/00/73/330680073.db2.gz CHHYGRBNGJREFV-INIZCTEOSA-N -1 1 299.345 3.817 20 0 CHADMM Cc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436755833 330684517 /nfs/dbraw/zinc/68/45/17/330684517.db2.gz AMWATPOBXWVXDZ-INIZCTEOSA-N -1 1 299.345 3.817 20 0 CHADMM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872677 330687280 /nfs/dbraw/zinc/68/72/80/330687280.db2.gz NGMCBJCPFSCFHW-PRHODGIISA-N -1 1 296.754 3.829 20 0 CHADMM C[C@H]1CC/C(=C/c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445484915 330829668 /nfs/dbraw/zinc/82/96/68/330829668.db2.gz XWYCHPVSLXDVSL-CBFJXKFUSA-N -1 1 274.295 3.785 20 0 CHADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450295100 330971366 /nfs/dbraw/zinc/97/13/66/330971366.db2.gz UYANYSBZZNOUJW-LKFCYVNXSA-N -1 1 267.756 3.810 20 0 CHADMM CC1(CC(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000456781811 331203528 /nfs/dbraw/zinc/20/35/28/331203528.db2.gz JQYLMAKKPLDUKU-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]1C ZINC000456782935 331203700 /nfs/dbraw/zinc/20/37/00/331203700.db2.gz KUSKCJBVGLPARZ-OPRDCNLKSA-N -1 1 283.318 3.681 20 0 CHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000470450734 331482869 /nfs/dbraw/zinc/48/28/69/331482869.db2.gz BHOJSKDCQXFIFR-SNVBAGLBSA-N -1 1 272.373 3.913 20 0 CHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000488272783 331996835 /nfs/dbraw/zinc/99/68/35/331996835.db2.gz CFOGYGGCOBJGMV-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM C[C@@H](c1ccco1)N(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000521887068 333195832 /nfs/dbraw/zinc/19/58/32/333195832.db2.gz YGFFQTBDJIIECD-JTQLQIEISA-N -1 1 291.372 3.765 20 0 CHADMM Cc1cscc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000235801205 333372214 /nfs/dbraw/zinc/37/22/14/333372214.db2.gz OATKOKHZFGZWCO-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000123781861 333552672 /nfs/dbraw/zinc/55/26/72/333552672.db2.gz GFXNZRQGSNMETC-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(C2CCCCC2)no1 ZINC000128810292 333710472 /nfs/dbraw/zinc/71/04/72/333710472.db2.gz ORLMYYRPQOCVQJ-UHFFFAOYSA-N -1 1 262.284 3.629 20 0 CHADMM Cc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000132977363 334012132 /nfs/dbraw/zinc/01/21/32/334012132.db2.gz FWBQSDHLFVRQHY-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM C[C@H]1CCC[C@@H](c2noc(-c3cc(F)ccc3[O-])n2)C1 ZINC000132987005 334012311 /nfs/dbraw/zinc/01/23/11/334012311.db2.gz SAYPTGBKFJHCTJ-VHSXEESVSA-N -1 1 276.311 3.875 20 0 CHADMM Cc1noc(C)c1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000548600848 334163369 /nfs/dbraw/zinc/16/33/69/334163369.db2.gz BOLXYHFYAPLEGL-UHFFFAOYSA-N -1 1 289.335 3.579 20 0 CHADMM CN(Cc1cc2ccccc2o1)C(=O)c1cc(F)ccc1[O-] ZINC000080034732 334165417 /nfs/dbraw/zinc/16/54/17/334165417.db2.gz CSQKFOIYLLHEQH-UHFFFAOYSA-N -1 1 299.301 3.550 20 0 CHADMM Cc1ccccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192706 334223566 /nfs/dbraw/zinc/22/35/66/334223566.db2.gz IPLOUFLMKGUIAQ-UHFFFAOYSA-N -1 1 275.735 3.535 20 0 CHADMM C[C@@H](CC1CCCCC1)NC(=O)c1ccc([O-])cc1F ZINC000573056850 334904098 /nfs/dbraw/zinc/90/40/98/334904098.db2.gz SXFITOFSXZSLLN-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM CCc1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)cc1 ZINC000577737028 335394530 /nfs/dbraw/zinc/39/45/30/335394530.db2.gz HDJAABHJFLCFJX-UHFFFAOYSA-N -1 1 299.370 3.705 20 0 CHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C(C)(C)C1 ZINC000380371851 335977914 /nfs/dbraw/zinc/97/79/14/335977914.db2.gz DSMVRIPOYLYOGW-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccco1)C(C)C ZINC000581948981 336175110 /nfs/dbraw/zinc/17/51/10/336175110.db2.gz JAQLOZSOUALPQB-UHFFFAOYSA-N -1 1 291.347 3.544 20 0 CHADMM CCc1ccc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc1 ZINC000387348545 336192773 /nfs/dbraw/zinc/19/27/73/336192773.db2.gz XTNAMVOEYQEFGW-UHFFFAOYSA-N -1 1 296.326 3.680 20 0 CHADMM CCN(CC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000047872994 520419061 /nfs/dbraw/zinc/41/90/61/520419061.db2.gz BGCHWQWUZXOFKA-UHFFFAOYSA-N -1 1 297.276 3.570 20 0 CHADMM CC[C@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278226022 523187350 /nfs/dbraw/zinc/18/73/50/523187350.db2.gz RFIHRYGWNNJKTC-CABZTGNLSA-N -1 1 294.738 3.726 20 0 CHADMM C[C@@H](C1CC1)n1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000339359453 524326119 /nfs/dbraw/zinc/32/61/19/524326119.db2.gz LNLZYFMZPLJKHU-JTQLQIEISA-N -1 1 291.782 3.825 20 0 CHADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc([O-])c1Cl ZINC000293119836 525620818 /nfs/dbraw/zinc/62/08/18/525620818.db2.gz ZCGXJPYFPFGAQJ-QFYYESIMSA-N -1 1 289.762 3.657 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCCCS3)n2)c(F)c1 ZINC000278154040 526339798 /nfs/dbraw/zinc/33/97/98/526339798.db2.gz MICUVKWHNSCNHO-LLVKDONJSA-N -1 1 280.324 3.540 20 0 CHADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccccc1 ZINC000337154888 527248831 /nfs/dbraw/zinc/24/88/31/527248831.db2.gz NHYAABHQNLTNNF-UHFFFAOYSA-N -1 1 291.347 3.504 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000820148535 598204301 /nfs/dbraw/zinc/20/43/01/598204301.db2.gz OEDTULFVMHKTED-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM Cc1cc(C)cc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000156916264 600082182 /nfs/dbraw/zinc/08/21/82/600082182.db2.gz AYMKMQYDTQTPPS-UHFFFAOYSA-N -1 1 281.355 3.517 20 0 CHADMM CC(C)(NCc1occc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000736341150 600100534 /nfs/dbraw/zinc/10/05/34/600100534.db2.gz LBSLPRDWDUBPIW-UHFFFAOYSA-N -1 1 293.750 3.656 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000050920772 600729622 /nfs/dbraw/zinc/72/96/22/600729622.db2.gz OOKOAZOMMAVETE-NSHDSACASA-N -1 1 289.762 3.889 20 0 CHADMM Cc1ccc([C@H]2CCCCN2Cc2occc2C(=O)[O-])o1 ZINC000738584179 600968918 /nfs/dbraw/zinc/96/89/18/600968918.db2.gz UZJOUMSQYGOGNO-CYBMUJFWSA-N -1 1 289.331 3.606 20 0 CHADMM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828457078 601179146 /nfs/dbraw/zinc/17/91/46/601179146.db2.gz QQBCEMHPPFQYOR-SJCJKPOMSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@H]1c2ccccc2CN1Cc1ccsc1C(=O)[O-] ZINC000828528726 601838016 /nfs/dbraw/zinc/83/80/16/601838016.db2.gz ZVMIYCMGTUFDRV-JTQLQIEISA-N -1 1 273.357 3.523 20 0 CHADMM C/C(=C\CN1CCCC[C@@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740779 604453195 /nfs/dbraw/zinc/45/31/95/604453195.db2.gz AYMMDZDHEABZTK-XKOZXHHJSA-N -1 1 295.329 3.523 20 0 CHADMM C[C@@H](c1cccc(F)c1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549229 604849722 /nfs/dbraw/zinc/84/97/22/604849722.db2.gz VPZVEKIJSOOYNE-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682447 958256451 /nfs/dbraw/zinc/25/64/51/958256451.db2.gz BOESTUALCGQCDR-SNVBAGLBSA-N -1 1 299.773 3.727 20 0 CHADMM CSc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228161384 959995983 /nfs/dbraw/zinc/99/59/83/959995983.db2.gz NQMPPHURLNIUAI-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000235185414 960394660 /nfs/dbraw/zinc/39/46/60/960394660.db2.gz GUKMRBLTSXSKIF-SECBINFHSA-N -1 1 293.388 3.815 20 0 CHADMM CC(C)(NCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001588795163 961380042 /nfs/dbraw/zinc/38/00/42/961380042.db2.gz XQRQHLKHUFRFQK-UHFFFAOYSA-N -1 1 287.334 3.549 20 0 CHADMM O=C([O-])[C@H](c1ccsc1)N1CCC[C@H]1c1cccs1 ZINC000578756247 974861369 /nfs/dbraw/zinc/86/13/69/974861369.db2.gz KDVFXFCNGBINQL-AAEUAGOBSA-N -1 1 293.413 3.772 20 0 CHADMM Cc1oc(CN(C)[C@@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000580202182 974890628 /nfs/dbraw/zinc/89/06/28/974890628.db2.gz VVYZDKWEHPTBKL-JTQLQIEISA-N -1 1 291.322 3.618 20 0 CHADMM CC(C)c1cccc(CN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001591986771 976609155 /nfs/dbraw/zinc/60/91/55/976609155.db2.gz HMQGISFBQKNXQB-UHFFFAOYSA-N -1 1 298.386 3.535 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595299357 980426661 /nfs/dbraw/zinc/42/66/61/980426661.db2.gz QNUCXLOQSFAYIR-OAHLLOKOSA-N -1 1 291.322 3.666 20 0 CHADMM O=C([O-])[C@@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000901749652 980480450 /nfs/dbraw/zinc/48/04/50/980480450.db2.gz OODIMNDHCNSGJC-KRWDZBQOSA-N -1 1 299.345 3.619 20 0 CHADMM CCc1oc(CN[C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000902131487 980750091 /nfs/dbraw/zinc/75/00/91/980750091.db2.gz PXAYNSTYUAVYCD-KRWDZBQOSA-N -1 1 299.370 3.781 20 0 CHADMM CCc1oc(CN(C)Cc2ccc(C)s2)cc1C(=O)[O-] ZINC000902220878 980787924 /nfs/dbraw/zinc/78/79/24/980787924.db2.gz MMVLVTUKEOUGTQ-UHFFFAOYSA-N -1 1 293.388 3.542 20 0 CHADMM C[C@@H](c1cccs1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902511555 980915554 /nfs/dbraw/zinc/91/55/54/980915554.db2.gz JPDBNQLMBVIFJR-AEZGRPFRSA-N -1 1 291.372 3.632 20 0 CHADMM CCCCCCN(Cc1ccco1)[C@H](CC)C(=O)[O-] ZINC000903961163 981076856 /nfs/dbraw/zinc/07/68/56/981076856.db2.gz NRNQPDLMBAFMQQ-CQSZACIVSA-N -1 1 267.369 3.525 20 0 CHADMM CCc1ccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC001597527431 988176439 /nfs/dbraw/zinc/17/64/39/988176439.db2.gz MRSSMOWUISGTBX-IRXDYDNUSA-N -1 1 299.370 3.632 20 0 CHADMM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC001593353046 994971669 /nfs/dbraw/zinc/97/16/69/994971669.db2.gz LKYCAPIYMFFKMS-DTWKUNHWSA-N -1 1 295.285 3.668 20 0 CHADMM C[C@@H](c1ccccc1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001593711104 996211181 /nfs/dbraw/zinc/21/11/81/996211181.db2.gz PRSYJHDUQMOOBK-NHAQELONSA-N -1 1 285.343 3.570 20 0 CHADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(Cl)c1 ZINC000194583385 1120602458 /nfs/dbraw/zinc/60/24/58/1120602458.db2.gz FKKXUNUEMIUVKJ-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM Cc1csc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663557 1121678436 /nfs/dbraw/zinc/67/84/36/1121678436.db2.gz FRIMPJLAGSJULG-UHFFFAOYSA-N -1 1 259.252 3.923 20 0 CHADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCCC(C)(C)O2)n1 ZINC001188162125 1122456579 /nfs/dbraw/zinc/45/65/79/1122456579.db2.gz GFTZMBUCYBIGMF-LBPRGKRZSA-N -1 1 296.436 3.575 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000436999049 1122603736 /nfs/dbraw/zinc/60/37/36/1122603736.db2.gz DQKWWOZCAVUCBQ-ZDUSSCGKSA-N -1 1 281.783 3.552 20 0 CHADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000093263915 1123067097 /nfs/dbraw/zinc/06/70/97/1123067097.db2.gz RXRHBVJPKVPOTE-SNVBAGLBSA-N -1 1 269.772 3.554 20 0 CHADMM CCC[C@@H](C(=O)[N-]OC[C@H](C)CC)c1ccccc1 ZINC000794872863 1124023531 /nfs/dbraw/zinc/02/35/31/1124023531.db2.gz XQBBDRPGOCBLTF-UKRRQHHQSA-N -1 1 263.381 3.664 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)CCC ZINC001233649883 1132657520 /nfs/dbraw/zinc/65/75/20/1132657520.db2.gz FGLBYZRHWAGALS-LLVKDONJSA-N -1 1 250.338 3.942 20 0 CHADMM CN(C)c1cncc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001210477866 1134226360 /nfs/dbraw/zinc/22/63/60/1134226360.db2.gz LUENBHAYLGEOON-UHFFFAOYSA-N -1 1 298.173 3.904 20 0 CHADMM O=c1cc(Cl)[nH]cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482761 1134542710 /nfs/dbraw/zinc/54/27/10/1134542710.db2.gz MHGRRLQRRGAIQK-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM CCCCC[C@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225018594 1135502519 /nfs/dbraw/zinc/50/25/19/1135502519.db2.gz BPONWTYFIQIXKZ-ZDUSSCGKSA-N -1 1 280.345 3.566 20 0 CHADMM CCC(=O)[C@@H](CC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227640976 1135852358 /nfs/dbraw/zinc/85/23/58/1135852358.db2.gz HVDSRQDOMONXSG-LLVKDONJSA-N -1 1 277.147 3.836 20 0 CHADMM CC(C)OCCOc1cc(Cl)c([O-])cc1Cl ZINC001227641770 1135852643 /nfs/dbraw/zinc/85/26/43/1135852643.db2.gz QKMQKKFLWWELLE-UHFFFAOYSA-N -1 1 265.136 3.503 20 0 CHADMM CC(C)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000110325564 1125628678 /nfs/dbraw/zinc/62/86/78/1125628678.db2.gz MXCBXTDLLYGUGJ-UHFFFAOYSA-N -1 1 271.360 3.711 20 0 CHADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCCC3)C(C)(C)O1 ZINC000887296648 1125786993 /nfs/dbraw/zinc/78/69/93/1125786993.db2.gz IJTMECFMDPUBPT-OCCSQVGLSA-N -1 1 292.423 3.501 20 0 CHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000162544007 1126778721 /nfs/dbraw/zinc/77/87/21/1126778721.db2.gz BVTNTHYZFLAUIG-ZDUSSCGKSA-N -1 1 299.773 3.698 20 0 CHADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000175238778 1126779627 /nfs/dbraw/zinc/77/96/27/1126779627.db2.gz YSFRRRTUSGHQOY-GXTWGEPZSA-N -1 1 299.345 3.550 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001202770501 1126775945 /nfs/dbraw/zinc/77/59/45/1126775945.db2.gz MGLWEPBPEHNEPZ-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1ncc([N-]c2cc(-c3ccc(F)cc3)no2)s1 ZINC001212128138 1126811693 /nfs/dbraw/zinc/81/16/93/1126811693.db2.gz GPAPJTYTDCSWDC-UHFFFAOYSA-N -1 1 275.308 3.989 20 0 CHADMM CC(C)CCC[C@@H](NCc1cnc(C(C)C)s1)C(=O)[O-] ZINC000904036939 1126822575 /nfs/dbraw/zinc/82/25/75/1126822575.db2.gz UDRYXJCKSCPFBS-CYBMUJFWSA-N -1 1 298.452 3.636 20 0 CHADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cs1 ZINC000904045599 1126824643 /nfs/dbraw/zinc/82/46/43/1126824643.db2.gz JVHWFBBGEBUNIN-AWEZNQCLSA-N -1 1 293.363 3.501 20 0 CHADMM CC[C@H](C)N(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000037113690 1126887331 /nfs/dbraw/zinc/88/73/31/1126887331.db2.gz DXXHPTNRFJXBEZ-LBPRGKRZSA-N -1 1 271.360 3.806 20 0 CHADMM Cc1oc(CN[C@@H](C)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000905730567 1126914096 /nfs/dbraw/zinc/91/40/96/1126914096.db2.gz ZNMKUGJFMWBESO-JTQLQIEISA-N -1 1 291.322 3.585 20 0 CHADMM CCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909984629 1127042073 /nfs/dbraw/zinc/04/20/73/1127042073.db2.gz QSNPKBSYOSUSCQ-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC ZINC000488257136 1127066408 /nfs/dbraw/zinc/06/64/08/1127066408.db2.gz BHHAAUKTRRLNSL-UHFFFAOYSA-N -1 1 289.400 3.612 20 0 CHADMM CCOc1cc(C(=O)N(C)[C@@H](C)C(C)C)cc(Cl)c1[O-] ZINC000273939709 1127102716 /nfs/dbraw/zinc/10/27/16/1127102716.db2.gz JWNQJZGKMRFQLK-JTQLQIEISA-N -1 1 299.798 3.561 20 0 CHADMM O=C(NCCC1CCCCC1)c1c([O-])cccc1Cl ZINC000057308195 1127252961 /nfs/dbraw/zinc/25/29/61/1127252961.db2.gz WUCICJHVSHPYMF-UHFFFAOYSA-N -1 1 281.783 3.746 20 0 CHADMM C[C@]1(F)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000295571704 1127646878 /nfs/dbraw/zinc/64/68/78/1127646878.db2.gz MJWFMPPWKXQQDR-KRWDZBQOSA-N -1 1 287.334 3.510 20 0 CHADMM CCC[C@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000297091896 1127688809 /nfs/dbraw/zinc/68/88/09/1127688809.db2.gz XGENKUKFEXGCOI-NSHDSACASA-N -1 1 282.727 3.583 20 0 CHADMM CC(C)(C)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000606530748 1127766855 /nfs/dbraw/zinc/76/68/55/1127766855.db2.gz RRAFGNDORPEPNG-UHFFFAOYSA-N -1 1 287.363 3.547 20 0 CHADMM CC(C)C[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367095 1127862442 /nfs/dbraw/zinc/86/24/42/1127862442.db2.gz UCSCQZUQAVBALO-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM O=C(Cc1c(F)cccc1Cl)Nc1c([O-])cccc1F ZINC000608365730 1127862853 /nfs/dbraw/zinc/86/28/53/1127862853.db2.gz AVQZDLPVQOLVPA-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000173379782 1128088229 /nfs/dbraw/zinc/08/82/29/1128088229.db2.gz PXMFTYRTXITPAM-ZJUUUORDSA-N -1 1 267.756 3.810 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC000173379402 1128088239 /nfs/dbraw/zinc/08/82/39/1128088239.db2.gz ZNBMLLSPCRRAAL-SECBINFHSA-N -1 1 293.725 3.927 20 0 CHADMM CCN(c1ccc(NC(=O)c2ccccc2[O-])cc1)C(C)C ZINC000030631600 1128091418 /nfs/dbraw/zinc/09/14/18/1128091418.db2.gz CNJPONZVFHGBRD-UHFFFAOYSA-N -1 1 298.386 3.879 20 0 CHADMM CCc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000153354744 1128243962 /nfs/dbraw/zinc/24/39/62/1128243962.db2.gz ONGQFWDXKMDYOX-UHFFFAOYSA-N -1 1 275.735 3.860 20 0 CHADMM CCCCCN(CCCCC)C(=O)c1ncccc1[O-] ZINC000495024174 1128223249 /nfs/dbraw/zinc/22/32/49/1128223249.db2.gz JBNHHCMKRAAEEA-UHFFFAOYSA-N -1 1 278.396 3.610 20 0 CHADMM COCOc1ccc(C)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001214243542 1128306448 /nfs/dbraw/zinc/30/64/48/1128306448.db2.gz AMTVVNSQPKUPNJ-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM O=C(/C=C/c1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000089541324 1128315521 /nfs/dbraw/zinc/31/55/21/1128315521.db2.gz NYUBIRJYRMASTJ-RMKNXTFCSA-N -1 1 291.709 3.837 20 0 CHADMM COc1cc(NCc2cccc([O-])c2Cl)cc(OC)c1 ZINC000393387585 1128341048 /nfs/dbraw/zinc/34/10/48/1128341048.db2.gz QVHLUOCSZRLFIY-UHFFFAOYSA-N -1 1 293.750 3.675 20 0 CHADMM CCN(CC(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037023460 1128407820 /nfs/dbraw/zinc/40/78/20/1128407820.db2.gz OYHPVDOHNCMDDQ-UHFFFAOYSA-N -1 1 271.360 3.664 20 0 CHADMM Cc1nc2cc(-c3c(F)cc(F)c([O-])c3F)ccc2[nH]1 ZINC001235996250 1128446339 /nfs/dbraw/zinc/44/63/39/1128446339.db2.gz ULVUXBFFPNYVHZ-UHFFFAOYSA-N -1 1 278.233 3.661 20 0 CHADMM O=C(CC1CCCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000067739037 1128487488 /nfs/dbraw/zinc/48/74/88/1128487488.db2.gz FNTYTACPGLRIMA-UHFFFAOYSA-N -1 1 267.756 3.955 20 0 CHADMM CCCCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)CC ZINC000128639451 1128508477 /nfs/dbraw/zinc/50/84/77/1128508477.db2.gz VMRPBRAAWNCFCW-LLVKDONJSA-N -1 1 267.344 3.572 20 0 CHADMM CCc1nc(SCC(C)(C)CC(F)F)[n-]c(=O)c1C ZINC000917843581 1128522047 /nfs/dbraw/zinc/52/20/47/1128522047.db2.gz SHSFKJJKSHREFW-UHFFFAOYSA-N -1 1 290.379 3.827 20 0 CHADMM C[C@@H]1CCC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000568142305 1128578410 /nfs/dbraw/zinc/57/84/10/1128578410.db2.gz FBTLGQCXZNCGGH-SFYZADRCSA-N -1 1 274.336 3.791 20 0 CHADMM O=C([O-])c1ccccc1-c1ccc2nc(C(F)F)[nH]c2c1 ZINC000570572583 1128626984 /nfs/dbraw/zinc/62/69/84/1128626984.db2.gz BMNMCTLQUUPNMF-UHFFFAOYSA-N -1 1 288.253 3.866 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1=CCCCCC1 ZINC000131883168 1128639229 /nfs/dbraw/zinc/63/92/29/1128639229.db2.gz VYVDICQSICXTIU-UHFFFAOYSA-N -1 1 265.740 3.875 20 0 CHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccsc1 ZINC000061367954 1117755268 /nfs/dbraw/zinc/75/52/68/1117755268.db2.gz INJHTOBWRWWBAR-QMMMGPOBSA-N -1 1 281.764 3.598 20 0 CHADMM [O-]c1cc(F)c(Cl)cc1-c1ccc(N2CCCC2)nc1 ZINC000623048605 1117810759 /nfs/dbraw/zinc/81/07/59/1117810759.db2.gz JDCZDCQRVUPLEM-UHFFFAOYSA-N -1 1 292.741 3.847 20 0 CHADMM Cc1ccc(CN(C)[C@H](C)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000579843166 1117907831 /nfs/dbraw/zinc/90/78/31/1117907831.db2.gz WSWDGHOEQWWOAL-SNVBAGLBSA-N -1 1 293.388 3.849 20 0 CHADMM Cc1ccc(F)c(-c2ccc3ncc(F)cc3n2)c1[O-] ZINC001236392365 1128746111 /nfs/dbraw/zinc/74/61/11/1128746111.db2.gz REJVQQRWETWCRW-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CC(C)c1nn(C)cc1[N-]c1nc2cccc(F)c2o1 ZINC000624178983 1117998405 /nfs/dbraw/zinc/99/84/05/1117998405.db2.gz HVKUQOWBOQZEGO-UHFFFAOYSA-N -1 1 274.299 3.567 20 0 CHADMM Cc1ccc2nc([N-]c3ncccc3F)sc2c1 ZINC001209804653 1118091943 /nfs/dbraw/zinc/09/19/43/1118091943.db2.gz MLYUZHAMWVKYRQ-UHFFFAOYSA-N -1 1 259.309 3.882 20 0 CHADMM CC(C)[C@@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000765744537 1118206690 /nfs/dbraw/zinc/20/66/90/1118206690.db2.gz KRLVHGHVNXTKRI-WCQYABFASA-N -1 1 285.309 3.625 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12C[C@H]1CCCC2 ZINC000693135094 1118220433 /nfs/dbraw/zinc/22/04/33/1118220433.db2.gz YPPWDHFDISGHQB-YMTOWFKASA-N -1 1 265.740 3.564 20 0 CHADMM Cc1nc(SCC(C)(C)CC(F)F)[n-]c(=O)c1C ZINC001652752197 1118274975 /nfs/dbraw/zinc/27/49/75/1118274975.db2.gz AKRCVVAHVXUZCS-UHFFFAOYSA-N -1 1 276.352 3.573 20 0 CHADMM CCCCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000065115012 1118331143 /nfs/dbraw/zinc/33/11/43/1118331143.db2.gz QPNPCUOPQAQQBP-UHFFFAOYSA-N -1 1 285.343 3.823 20 0 CHADMM Cc1c(Cl)cc(Nc2ccc(CO)nc2)c([O-])c1Cl ZINC001212385772 1118410959 /nfs/dbraw/zinc/41/09/59/1118410959.db2.gz JMSVPKPAQGTELE-UHFFFAOYSA-N -1 1 299.157 3.638 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC2(CC2)C1 ZINC000616102137 1128776219 /nfs/dbraw/zinc/77/62/19/1128776219.db2.gz XXXYKASXPPINKH-VIFPVBQESA-N -1 1 281.302 3.579 20 0 CHADMM Nc1ccn(-c2cc(Cl)c([O-])c(Cl)c2)c2nccc1-2 ZINC001210924791 1118424492 /nfs/dbraw/zinc/42/44/92/1118424492.db2.gz RGJPJLGQVMSICG-UHFFFAOYSA-N -1 1 294.141 3.572 20 0 CHADMM Cc1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210924865 1118424540 /nfs/dbraw/zinc/42/45/40/1118424540.db2.gz VDFZMGJVURMOKR-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM Oc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1Cl ZINC000656271418 1118492618 /nfs/dbraw/zinc/49/26/18/1118492618.db2.gz NIJWPTIQMSNKQX-AWEZNQCLSA-N -1 1 295.810 3.579 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3cnccc32)cc1F ZINC001211339337 1118505386 /nfs/dbraw/zinc/50/53/86/1118505386.db2.gz MVMGQVMAWOFGKE-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM CCOC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211340773 1118505546 /nfs/dbraw/zinc/50/55/46/1118505546.db2.gz YONBATKMFNKWNU-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM CC[S@@](=N)(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211352636 1118507521 /nfs/dbraw/zinc/50/75/21/1118507521.db2.gz NNTVGWHCXIISNI-HXUWFJFHSA-N -1 1 297.326 3.763 20 0 CHADMM Cc1cc2[n-]c(CCC(C)(C)C)nc(=O)c2s1 ZINC000656490424 1118564832 /nfs/dbraw/zinc/56/48/32/1118564832.db2.gz CRBCMDLBKULPEF-UHFFFAOYSA-N -1 1 250.367 3.684 20 0 CHADMM CC(C)(C)C[C@H]([N-]C(=O)C(C)(Cl)Cl)C(F)(F)F ZINC000180489566 1128795426 /nfs/dbraw/zinc/79/54/26/1128795426.db2.gz NWELZVJIEDCXSE-LURJTMIESA-N -1 1 294.144 3.664 20 0 CHADMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000156695705 1118715049 /nfs/dbraw/zinc/71/50/49/1118715049.db2.gz OWHKAAKKPQWKNA-ZZXKWVIFSA-N -1 1 273.719 3.645 20 0 CHADMM Cc1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)ccc1O ZINC000077166026 1128796200 /nfs/dbraw/zinc/79/62/00/1128796200.db2.gz SIEFXVWKLBTSGA-GORDUTHDSA-N -1 1 288.730 3.956 20 0 CHADMM C[C@@H](C#N)C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068870435 1128801706 /nfs/dbraw/zinc/80/17/06/1128801706.db2.gz RKMVWAVPJFHBLD-LBPRGKRZSA-N -1 1 298.386 3.609 20 0 CHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2F)s1 ZINC000431156903 1118841959 /nfs/dbraw/zinc/84/19/59/1118841959.db2.gz PLMADFHZEOOYBU-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM CCc1nc(SCc2cccc(C)c2)[n-]c(=O)c1C ZINC000657263891 1118942756 /nfs/dbraw/zinc/94/27/56/1118942756.db2.gz AQPIBVDACUXNRR-UHFFFAOYSA-N -1 1 274.389 3.654 20 0 CHADMM Cc1sc(NC(=O)c2ccc([O-])c(F)c2)nc1C(C)C ZINC000617247727 1128825330 /nfs/dbraw/zinc/82/53/30/1128825330.db2.gz PYTUKCZVGDXQHM-UHFFFAOYSA-N -1 1 294.351 3.672 20 0 CHADMM C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232557 1128832788 /nfs/dbraw/zinc/83/27/88/1128832788.db2.gz CQQPBIVRZUUXAB-KCJUWKMLSA-N -1 1 275.735 3.793 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000134277823 1119560691 /nfs/dbraw/zinc/56/06/91/1119560691.db2.gz OTFMYJDVBCOSHX-GUYCJALGSA-N -1 1 295.382 3.950 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000685365846 1119599727 /nfs/dbraw/zinc/59/97/27/1119599727.db2.gz WSAIZFJGZHKFOB-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM [O-]c1cccc(CN2CCCOc3ccccc32)c1Cl ZINC000380842950 1128860035 /nfs/dbraw/zinc/86/00/35/1128860035.db2.gz PMBDBWWQDMRPOY-UHFFFAOYSA-N -1 1 289.762 3.835 20 0 CHADMM Cc1ccc2c(c1)[C@H]([N-]c1nc(-c3ccccc3)no1)CO2 ZINC000685910729 1119982983 /nfs/dbraw/zinc/98/29/83/1119982983.db2.gz LYJQGXWOCGJERU-CQSZACIVSA-N -1 1 293.326 3.591 20 0 CHADMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc([O-])cc1F ZINC000181082023 1120101203 /nfs/dbraw/zinc/10/12/03/1120101203.db2.gz VXTRVBQRTWPFBS-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM O=C(CCC1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613665021 1120156358 /nfs/dbraw/zinc/15/63/58/1120156358.db2.gz PNHBCBSEPOPZDI-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM CCc1nc(SCC2CC(C)(C)C2)[n-]c(=O)c1C ZINC000629184094 1128901016 /nfs/dbraw/zinc/90/10/16/1128901016.db2.gz KUOBGMBHUDRSQL-UHFFFAOYSA-N -1 1 266.410 3.581 20 0 CHADMM Nc1ccc(Cl)cc1Nc1ccc(F)c(F)c1[O-] ZINC001212441099 1120237281 /nfs/dbraw/zinc/23/72/81/1120237281.db2.gz CAWPPWXEKCQTFH-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001625894251 1120243169 /nfs/dbraw/zinc/24/31/69/1120243169.db2.gz UIJQNIYPDCKSPB-UWVGGRQHSA-N -1 1 283.318 3.825 20 0 CHADMM CC1(C)CCC(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC001625894223 1120243558 /nfs/dbraw/zinc/24/35/58/1120243558.db2.gz SSNAPDRLMLSTMG-UHFFFAOYSA-N -1 1 283.318 3.825 20 0 CHADMM CCCC[C@H](CCC)NC(=O)c1cc(F)ccc1[O-] ZINC000226038108 1120245507 /nfs/dbraw/zinc/24/55/07/1120245507.db2.gz PUCAEZCLSBOGRD-LBPRGKRZSA-N -1 1 267.344 3.620 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(C2CC2)cc1 ZINC000416291938 1120306293 /nfs/dbraw/zinc/30/62/93/1120306293.db2.gz PUSSXFNASTWKLD-NSHDSACASA-N -1 1 299.345 3.900 20 0 CHADMM CC(C)(C)n1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000191501774 1128937819 /nfs/dbraw/zinc/93/78/19/1128937819.db2.gz UJAAEDDYYIPLRD-UHFFFAOYSA-N -1 1 297.761 3.748 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCCC2 ZINC000629942676 1128942991 /nfs/dbraw/zinc/94/29/91/1128942991.db2.gz NHMXJWNOSWJCDT-GFCCVEGCSA-N -1 1 296.292 3.594 20 0 CHADMM O=C(CCc1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000111666597 1121010990 /nfs/dbraw/zinc/01/09/90/1121010990.db2.gz CUQLMYDYCIRSSH-UHFFFAOYSA-N -1 1 281.764 3.678 20 0 CHADMM CC(C)Oc1ccc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001174765015 1121025706 /nfs/dbraw/zinc/02/57/06/1121025706.db2.gz MXKWOVOYHUHMHQ-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM C=CNc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1C ZINC001174786806 1121031310 /nfs/dbraw/zinc/03/13/10/1121031310.db2.gz BDOFBVQOVIADNM-UHFFFAOYSA-N -1 1 299.214 3.863 20 0 CHADMM CN(Cc1cccc(O)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984113 1129235225 /nfs/dbraw/zinc/23/52/25/1129235225.db2.gz MHSMAZKMGKXLJU-UHFFFAOYSA-N -1 1 295.741 3.522 20 0 CHADMM COCc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174922929 1121096569 /nfs/dbraw/zinc/09/65/69/1121096569.db2.gz SEKMSKZIEQNADB-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM O=c1ccoc2ccc(Nc3cccc(Cl)c3[O-])cc12 ZINC001174945890 1121107032 /nfs/dbraw/zinc/10/70/32/1121107032.db2.gz QIICQIGXCZXYAK-UHFFFAOYSA-N -1 1 287.702 3.896 20 0 CHADMM O=C(CC1CCCCCC1)Nc1c([O-])cccc1F ZINC000674266742 1121111536 /nfs/dbraw/zinc/11/15/36/1121111536.db2.gz PDFKYNJWHWASQY-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c(F)c1F ZINC001174968488 1121118554 /nfs/dbraw/zinc/11/85/54/1121118554.db2.gz HUMGUXGAQPGJET-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(F)c1F ZINC001175025718 1121140052 /nfs/dbraw/zinc/14/00/52/1121140052.db2.gz JPEJILTXRCJQDD-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1cc(Nc2c(F)cc(F)cc2F)cc(F)c1F ZINC001175145354 1121201260 /nfs/dbraw/zinc/20/12/60/1121201260.db2.gz RSQAAXORUBNIES-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001175252356 1121222558 /nfs/dbraw/zinc/22/25/58/1121222558.db2.gz BCGZQBHCWBOQFY-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM CC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001175235568 1121236524 /nfs/dbraw/zinc/23/65/24/1121236524.db2.gz PBBZEARRDPAOPS-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CCCC[C@@H](CCC)Sc1nc(C(=O)OC)c[n-]1 ZINC000432663755 1121259892 /nfs/dbraw/zinc/25/98/92/1121259892.db2.gz KMHKJPAMTXIPAT-SNVBAGLBSA-N -1 1 270.398 3.647 20 0 CHADMM [O-]c1cc(Nc2ccc(-n3cccn3)cc2)cc(F)c1F ZINC001175371221 1121301094 /nfs/dbraw/zinc/30/10/94/1121301094.db2.gz QMIGBDBRIAXZKJ-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cnc2n[nH]cc2c1 ZINC001175406634 1121317050 /nfs/dbraw/zinc/31/70/50/1121317050.db2.gz ZQIPKZRKAVIIBE-UHFFFAOYSA-N -1 1 295.129 3.714 20 0 CHADMM Cn1ncc2cc(Nc3cc([O-])c(Cl)cc3F)ccc21 ZINC001175424405 1121320635 /nfs/dbraw/zinc/32/06/35/1121320635.db2.gz NOWZSTBJCHRJNT-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM Cc1cccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1 ZINC000631025485 1128978860 /nfs/dbraw/zinc/97/88/60/1128978860.db2.gz UVCBDBRWFMSFGT-UHFFFAOYSA-N -1 1 286.400 3.969 20 0 CHADMM Cn1cc2cccc(Nc3cc([O-])c(Cl)cc3F)c2n1 ZINC001175458617 1121347396 /nfs/dbraw/zinc/34/73/96/1121347396.db2.gz GNSGCUWZXLHLEF-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM Cc1nc(SCCCOC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000631024731 1128979457 /nfs/dbraw/zinc/97/94/57/1128979457.db2.gz ZAXGOCYCVRHSTI-UHFFFAOYSA-N -1 1 296.436 3.665 20 0 CHADMM CCc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000676056223 1121400182 /nfs/dbraw/zinc/40/01/82/1121400182.db2.gz VSQYTLISRRVZAD-NSHDSACASA-N -1 1 287.334 3.836 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2cccc(F)c2o1 ZINC000676056011 1121400234 /nfs/dbraw/zinc/40/02/34/1121400234.db2.gz PWEMNHRSCMPXDN-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM CC(C)Sc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175627049 1121401582 /nfs/dbraw/zinc/40/15/82/1121401582.db2.gz YUICJHQDEZIDRI-UHFFFAOYSA-N -1 1 299.399 3.814 20 0 CHADMM c1coc(-c2nnc([N-]c3ccc4ccncc4c3)o2)c1 ZINC001175702592 1121420974 /nfs/dbraw/zinc/42/09/74/1121420974.db2.gz WLBFXPGDVFIHLC-UHFFFAOYSA-N -1 1 278.271 3.621 20 0 CHADMM c1nc([N-]c2cc(CCc3ccccc3)no2)cs1 ZINC001175937987 1121488964 /nfs/dbraw/zinc/48/89/64/1121488964.db2.gz MLYJTYNYUIWXBH-UHFFFAOYSA-N -1 1 271.345 3.660 20 0 CHADMM O=c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])c[nH]1 ZINC001176131863 1121547208 /nfs/dbraw/zinc/54/72/08/1121547208.db2.gz GFTUJJYIPXYEOC-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM Cc1nc(C(F)(F)F)c([N-]c2c(C)noc2C)s1 ZINC001176175486 1121563368 /nfs/dbraw/zinc/56/33/68/1121563368.db2.gz CUKXCHYHRDXSOW-UHFFFAOYSA-N -1 1 277.271 3.819 20 0 CHADMM Cc1noc(C)c1[N-]c1nc2c(cccc2C)s1 ZINC001176178179 1121564930 /nfs/dbraw/zinc/56/49/30/1121564930.db2.gz WFFQIGDGCUVEAG-UHFFFAOYSA-N -1 1 259.334 3.953 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2csc3nccnc23)c1F ZINC001176664566 1121670873 /nfs/dbraw/zinc/67/08/73/1121670873.db2.gz QACYXJMYQVMIPF-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)c(F)c(F)c2)c1F ZINC001176672461 1121673298 /nfs/dbraw/zinc/67/32/98/1121673298.db2.gz WSEOBQLZYOUKCQ-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3cnoc32)c1F ZINC001176674090 1121673483 /nfs/dbraw/zinc/67/34/83/1121673483.db2.gz PHHRDZONUOMZDJ-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM COc1cccc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673298 1121673612 /nfs/dbraw/zinc/67/36/12/1121673612.db2.gz RZRFGUZCGNZQNC-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993663 1121704997 /nfs/dbraw/zinc/70/49/97/1121704997.db2.gz IVZCDKAYLQUPPA-CHWSQXEVSA-N -1 1 295.810 3.878 20 0 CHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C2CCCC1CCC2 ZINC000631518078 1129005040 /nfs/dbraw/zinc/00/50/40/1129005040.db2.gz LKFOAHMQBZGDSH-UHFFFAOYSA-N -1 1 293.794 3.522 20 0 CHADMM CC(C)c1oncc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001177843559 1121753783 /nfs/dbraw/zinc/75/37/83/1121753783.db2.gz GHRPWNXORFCBTB-UHFFFAOYSA-N -1 1 296.326 3.909 20 0 CHADMM CCCCC[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000732285315 1121915713 /nfs/dbraw/zinc/91/57/13/1121915713.db2.gz BAGXBRTXJGXWLX-QGZVFWFLSA-N -1 1 298.386 3.839 20 0 CHADMM [O-]c1cc(Nc2c(F)cc(O)cc2F)c(F)c(F)c1F ZINC001249965733 1121987594 /nfs/dbraw/zinc/98/75/94/1121987594.db2.gz JGUYJFBFCYTCJB-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)c2ccccc2O1 ZINC001180614172 1122000124 /nfs/dbraw/zinc/00/01/24/1122000124.db2.gz XXVASDWFTOEFCQ-LLVKDONJSA-N -1 1 289.762 3.833 20 0 CHADMM COc1cc(C)c(Nc2ccnc(Cl)c2[O-])c(C)c1 ZINC001250034298 1122108607 /nfs/dbraw/zinc/10/86/07/1122108607.db2.gz LXZKGGMFTWYTNS-UHFFFAOYSA-N -1 1 278.739 3.810 20 0 CHADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000273188290 1122223443 /nfs/dbraw/zinc/22/34/43/1122223443.db2.gz MQBPHAQOCRNWML-PWSUYJOCSA-N 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/nfs/dbraw/zinc/56/06/94/1122560694.db2.gz OOQSVRPBYHAXBX-INIZCTEOSA-N -1 1 279.355 3.574 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCCC[C@H]1C ZINC000436570209 1122562312 /nfs/dbraw/zinc/56/23/12/1122562312.db2.gz NTSGTBJPTQTWLW-BXUZGUMPSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1nc(CC(C)C)c(NC(=O)c2ccccc2[O-])s1 ZINC000436588431 1122564396 /nfs/dbraw/zinc/56/43/96/1122564396.db2.gz MQYRPMDUVNDQDN-UHFFFAOYSA-N -1 1 290.388 3.608 20 0 CHADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436579220 1122564562 /nfs/dbraw/zinc/56/45/62/1122564562.db2.gz YIHHKWOGASPYHK-BXUZGUMPSA-N -1 1 279.355 3.572 20 0 CHADMM CSc1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000436625684 1122566303 /nfs/dbraw/zinc/56/63/03/1122566303.db2.gz FWZRUHUOASDXTM-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM CC(C)[C@@H](C)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000436721344 1122574739 /nfs/dbraw/zinc/57/47/39/1122574739.db2.gz XQQPFDJTMNKINY-SNVBAGLBSA-N -1 1 281.783 3.695 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC12CCC2 ZINC000436714414 1122574884 /nfs/dbraw/zinc/57/48/84/1122574884.db2.gz FVDXSEMWPKHQLG-LLVKDONJSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(NCCC1(F)CCC1)c1ccc2ccccc2c1[O-] ZINC000436740150 1122575904 /nfs/dbraw/zinc/57/59/04/1122575904.db2.gz YABYZOCTVPZAEJ-UHFFFAOYSA-N -1 1 287.334 3.558 20 0 CHADMM CC(C)c1ccccc1N(C)C(=O)c1ccc([O-])cc1F ZINC000436781440 1122581579 /nfs/dbraw/zinc/58/15/79/1122581579.db2.gz CUIOSJZPDDUMLN-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000630451266 1122584551 /nfs/dbraw/zinc/58/45/51/1122584551.db2.gz XMPUNBKTMCYWNT-AWEZNQCLSA-N -1 1 293.363 3.501 20 0 CHADMM CCc1ccc(C(=O)N2CCCc3ccc(C)cc32)c([O-])c1 ZINC000436823501 1122586422 /nfs/dbraw/zinc/58/64/22/1122586422.db2.gz BGXZXTXWZLBJBE-UHFFFAOYSA-N -1 1 295.382 3.856 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)NC1CCCCCC1 ZINC001191269919 1122587476 /nfs/dbraw/zinc/58/74/76/1122587476.db2.gz BHMDVHKPAVJVQL-UHFFFAOYSA-N -1 1 282.771 3.890 20 0 CHADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000436877959 1122590356 /nfs/dbraw/zinc/59/03/56/1122590356.db2.gz DFOBYMVGCUKVFX-GHMZBOCLSA-N -1 1 279.355 3.571 20 0 CHADMM CC1(C)CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880449 1122591203 /nfs/dbraw/zinc/59/12/03/1122591203.db2.gz QYUIOZXADMPGTF-NSHDSACASA-N -1 1 276.311 3.875 20 0 CHADMM CC(C)[C@@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877432 1122591453 /nfs/dbraw/zinc/59/14/53/1122591453.db2.gz GJGNGGMUKSKVJT-XHDPSFHLSA-N -1 1 276.311 3.731 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(C2CCCC2)C1 ZINC000436913276 1122593570 /nfs/dbraw/zinc/59/35/70/1122593570.db2.gz UWSZVQKSSLHHJS-UHFFFAOYSA-N -1 1 295.382 3.808 20 0 CHADMM Cc1cc(NC(=O)Nc2c([O-])cccc2F)ccc1F ZINC001192381801 1122642907 /nfs/dbraw/zinc/64/29/07/1122642907.db2.gz CAVITOJJBXZTMB-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CCC1(NC(=O)c2c(F)ccc([O-])c2F)CCCCC1 ZINC001192551054 1122650956 /nfs/dbraw/zinc/65/09/56/1122650956.db2.gz BAIKGYNLFJNMAM-UHFFFAOYSA-N -1 1 283.318 3.513 20 0 CHADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@H](C)C2CCCCC2)s[n-]1 ZINC000509554018 1122727755 /nfs/dbraw/zinc/72/77/55/1122727755.db2.gz PGTDFUIGHQZWQN-SDDRHHMPSA-N -1 1 297.468 3.684 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])Oc1ccc(Cl)cc1 ZINC001194056093 1122743624 /nfs/dbraw/zinc/74/36/24/1122743624.db2.gz ULVLJWPKFDHLSG-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM COc1ccc(OC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001194534682 1122782765 /nfs/dbraw/zinc/78/27/65/1122782765.db2.gz GMIZVCSYWYCVLM-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM Cc1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001250601563 1122809108 /nfs/dbraw/zinc/80/91/08/1122809108.db2.gz ONYJRKIXSISEAY-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM CC(C)CCOC(=O)Nc1ccc(Cl)cc1[O-] ZINC001194874867 1122817014 /nfs/dbraw/zinc/81/70/14/1122817014.db2.gz NHWDNFBPOWCGLB-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM Cc1ccc([O-])c(C(=O)Nc2cc3ccccc3s2)n1 ZINC001195318214 1122862847 /nfs/dbraw/zinc/86/28/47/1122862847.db2.gz JTCHTQQKEZVFFW-UHFFFAOYSA-N 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ZINC001240782757 1130469019 /nfs/dbraw/zinc/46/90/19/1130469019.db2.gz IELPOKMPKAQNAT-UHFFFAOYSA-N -1 1 285.322 3.719 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccc2cnccc2c1 ZINC001243502772 1130513415 /nfs/dbraw/zinc/51/34/15/1130513415.db2.gz AAUOOHONQZMGHM-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780363505 1130678207 /nfs/dbraw/zinc/67/82/07/1130678207.db2.gz OPISRDJDFHSUBE-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CCCC(=O)[C@@H](CCC)Oc1nc2sccc2[n-]1 ZINC001234846834 1130681833 /nfs/dbraw/zinc/68/18/33/1130681833.db2.gz DAAGSWHXCUTGJC-LLVKDONJSA-N -1 1 266.366 3.541 20 0 CHADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc2ccccc2c1 ZINC000812793280 1130717406 /nfs/dbraw/zinc/71/74/06/1130717406.db2.gz RUYVNUKINQIIHR-GFCCVEGCSA-N -1 1 269.344 3.544 20 0 CHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739956 1130860478 /nfs/dbraw/zinc/86/04/78/1130860478.db2.gz QUFSKJCEKNMTLK-XMQYKBBCSA-N -1 1 297.402 3.733 20 0 CHADMM Cc1ccc(F)c(-c2nccc3c4c([nH]c32)CCC4)c1[O-] ZINC001236389522 1130925430 /nfs/dbraw/zinc/92/54/30/1130925430.db2.gz FDWLSDYIWXOIOO-UHFFFAOYSA-N -1 1 282.318 3.872 20 0 CHADMM CC(C)(C)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000799306641 1131079270 /nfs/dbraw/zinc/07/92/70/1131079270.db2.gz QOWHRDIJCOXSIE-UHFFFAOYSA-N -1 1 278.373 3.778 20 0 CHADMM [O-]c1c(F)cc(CN2CCC23CCCC3)cc1Cl ZINC001237985444 1131156484 /nfs/dbraw/zinc/15/64/84/1131156484.db2.gz YDSHRRZQSRVPQL-UHFFFAOYSA-N -1 1 269.747 3.703 20 0 CHADMM CCC1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237983663 1131158487 /nfs/dbraw/zinc/15/84/87/1131158487.db2.gz JCSAUJWGJRGXEE-UHFFFAOYSA-N -1 1 271.763 3.807 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](C2CCCC2)C1 ZINC000817637075 1131176284 /nfs/dbraw/zinc/17/62/84/1131176284.db2.gz WQYCVYBLJXDMBU-LBPRGKRZSA-N -1 1 293.794 3.698 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238234977 1131186454 /nfs/dbraw/zinc/18/64/54/1131186454.db2.gz ZPBOJGRKUYFSMW-LBPRGKRZSA-N -1 1 299.345 3.643 20 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3.868 20 0 CHADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1F ZINC001146546064 1131791883 /nfs/dbraw/zinc/79/18/83/1131791883.db2.gz WYZCROOBKCCYCN-OCCSQVGLSA-N -1 1 299.345 3.550 20 0 CHADMM Cc1ccc2oc(CNC(=O)c3ccc([O-])cc3F)cc2c1 ZINC001147486205 1131826681 /nfs/dbraw/zinc/82/66/81/1131826681.db2.gz SRTWKJHDIAAVDA-UHFFFAOYSA-N -1 1 299.301 3.516 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1cccc(F)c1 ZINC001140653047 1131848359 /nfs/dbraw/zinc/84/83/59/1131848359.db2.gz SPVISOBWASMKFY-MRVPVSSYSA-N -1 1 295.260 3.552 20 0 CHADMM CCCCC[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228635618 1131925948 /nfs/dbraw/zinc/92/59/48/1131925948.db2.gz CEOBTLHLYXTKQI-CYBMUJFWSA-N -1 1 289.404 3.861 20 0 CHADMM C[C@@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140834869 1131941810 /nfs/dbraw/zinc/94/18/10/1131941810.db2.gz GJEXFZMVNGLDEV-MRVPVSSYSA-N -1 1 260.164 3.541 20 0 CHADMM [O-]c1ccc(CN2Cc3ccc(Cl)cc3C2)c(F)c1F ZINC001140892765 1131957619 /nfs/dbraw/zinc/95/76/19/1131957619.db2.gz 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Cc1nocc1Nc1c(Cl)ccc([O-])c1Cl ZINC001212722898 1132461384 /nfs/dbraw/zinc/46/13/84/1132461384.db2.gz JFZCDHABWYLKSR-UHFFFAOYSA-N -1 1 259.092 3.739 20 0 CHADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001173804801 1132538633 /nfs/dbraw/zinc/53/86/33/1132538633.db2.gz GEPQOQXITZMDIS-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM C[C@@H]1c2ccccc2CCN1Cc1ccc(F)c([O-])c1F ZINC001232930493 1132543642 /nfs/dbraw/zinc/54/36/42/1132543642.db2.gz ABXGLGMMVGTVQH-LLVKDONJSA-N -1 1 289.325 3.790 20 0 CHADMM CCc1ccc(CN(C)Cc2ccc(F)c([O-])c2F)cc1 ZINC001232937260 1132544783 /nfs/dbraw/zinc/54/47/83/1132544783.db2.gz MAENXTIQOBYXMB-UHFFFAOYSA-N -1 1 291.341 3.865 20 0 CHADMM [O-]c1c(F)ccc(CN(Cc2ccccc2)C2CC2)c1F ZINC001232937988 1132546229 /nfs/dbraw/zinc/54/62/29/1132546229.db2.gz XQYUWLLBEHKJMW-UHFFFAOYSA-N -1 1 289.325 3.835 20 0 CHADMM [O-]c1cnc(Cl)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001233039481 1132565778 /nfs/dbraw/zinc/56/57/78/1132565778.db2.gz XNBSSZKEWFBWHP-UHFFFAOYSA-N -1 1 295.169 3.610 20 0 CHADMM Nc1c(Cl)cccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151582955 1132572001 /nfs/dbraw/zinc/57/20/01/1132572001.db2.gz PLOKQCQIOLASHE-UHFFFAOYSA-N -1 1 297.141 3.534 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1c[nH]cc1-c1ccccc1 ZINC001151773054 1132574656 /nfs/dbraw/zinc/57/46/56/1132574656.db2.gz XAQLMIPHXKYTQQ-UHFFFAOYSA-N -1 1 296.301 3.779 20 0 CHADMM CCCc1csc(NC(=O)c2ccc(CC)cc2[O-])n1 ZINC001153364048 1132592895 /nfs/dbraw/zinc/59/28/95/1132592895.db2.gz AMNUWWBFIHBAIV-UHFFFAOYSA-N -1 1 290.388 3.616 20 0 CHADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)c(OC)c1 ZINC001173892455 1132596536 /nfs/dbraw/zinc/59/65/36/1132596536.db2.gz MLBLQBYXBNDLHI-UHFFFAOYSA-N -1 1 297.713 3.946 20 0 CHADMM CC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001173900094 1132603253 /nfs/dbraw/zinc/60/32/53/1132603253.db2.gz CEBVUTBUYPTZAO-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM [O-]c1cc(Nc2ccc(F)cc2F)cc(F)c1F ZINC001173927306 1132609725 /nfs/dbraw/zinc/60/97/25/1132609725.db2.gz SRPOWVBEQIXVHS-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H]1C ZINC001233649451 1132656169 /nfs/dbraw/zinc/65/61/69/1132656169.db2.gz YACRWHKFYQJAFR-XHDPSFHLSA-N -1 1 262.349 3.942 20 0 CHADMM Cc1ccc2ccc(C(=O)N3CCCC[C@H](C)C3)c([O-])c2n1 ZINC001155654953 1132662140 /nfs/dbraw/zinc/66/21/40/1132662140.db2.gz ZYSAALRSCCVMQH-LBPRGKRZSA-N -1 1 298.386 3.511 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001174145423 1132747065 /nfs/dbraw/zinc/74/70/65/1132747065.db2.gz BNZYMOKUGFHFRV-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001174210789 1132758515 /nfs/dbraw/zinc/75/85/15/1132758515.db2.gz IEJVAOYJLUKKEA-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cncc(F)c1 ZINC001174291695 1132775761 /nfs/dbraw/zinc/77/57/61/1132775761.db2.gz LHNKWVQYPFDBIM-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM CC(C)(O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174409648 1132847514 /nfs/dbraw/zinc/84/75/14/1132847514.db2.gz QNVVRGWPZRCIJT-UHFFFAOYSA-N -1 1 279.286 3.641 20 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CCOc1cc(C(=O)Nc2ccsc2)cc(Cl)c1[O-] ZINC000186816859 329349391 /nfs/dbraw/zinc/34/93/91/329349391.db2.gz PAEGCCCYNXQHAO-UHFFFAOYSA-N -1 1 297.763 3.758 20 0 CHADMM CSc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000509089218 332858836 /nfs/dbraw/zinc/85/88/36/332858836.db2.gz JXXPGVPWDQXUFI-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM O=C([O-])c1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000263487318 330057616 /nfs/dbraw/zinc/05/76/16/330057616.db2.gz PUHVJGJXXUBMDI-INIZCTEOSA-N -1 1 299.345 3.513 20 0 CHADMM Cc1cnccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000107038846 330346012 /nfs/dbraw/zinc/34/60/12/330346012.db2.gz ZAIMNDHIARYDBQ-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CC(C)CCN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000107202762 330347390 /nfs/dbraw/zinc/34/73/90/330347390.db2.gz LRAYNHGTCWQBND-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000046303907 330351901 /nfs/dbraw/zinc/35/19/01/330351901.db2.gz QPOAYFKHEDPGGP-UHFFFAOYSA-N -1 1 289.400 3.748 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C\c3cccnc3)n2)c(Cl)c1 ZINC000445444122 330355023 /nfs/dbraw/zinc/35/50/23/330355023.db2.gz FFVIZLZNMYRRTE-UTCJRWHESA-N -1 1 299.717 3.661 20 0 CHADMM CCC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448232 330367538 /nfs/dbraw/zinc/36/75/38/330367538.db2.gz KJZCQEQPIJNKRN-UHFFFAOYSA-N -1 1 266.728 3.783 20 0 CHADMM CCCCCOCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449002 330374102 /nfs/dbraw/zinc/37/41/02/330374102.db2.gz XLUCDHLNNMMIHE-UHFFFAOYSA-N -1 1 296.754 3.802 20 0 CHADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)C1 ZINC000436511049 330678851 /nfs/dbraw/zinc/67/88/51/330678851.db2.gz HXFKLRNCZSATHT-WDEREUQCSA-N -1 1 281.783 3.554 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)co1 ZINC000436873635 330687192 /nfs/dbraw/zinc/68/71/92/330687192.db2.gz QPZTZPSDRITGTG-UHFFFAOYSA-N -1 1 276.679 3.664 20 0 CHADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000436872044 330687220 /nfs/dbraw/zinc/68/72/20/330687220.db2.gz RUYVXZHCCAQZKD-KRWDZBQOSA-N -1 1 299.345 3.817 20 0 CHADMM C[C@@H](c1cccs1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479655 330829500 /nfs/dbraw/zinc/82/95/00/330829500.db2.gz KCHPVVLSVZMZKD-QMMMGPOBSA-N -1 1 290.319 3.795 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc4cc[nH]c4c3)n2)cc1F ZINC000445478758 330829630 /nfs/dbraw/zinc/82/96/30/330829630.db2.gz SGCMSSNPKCQZCW-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000452427758 331064623 /nfs/dbraw/zinc/06/46/23/331064623.db2.gz WUKFGRVQRWNNHC-GHMZBOCLSA-N -1 1 297.345 3.617 20 0 CHADMM CC(C)C[C@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456781451 331203463 /nfs/dbraw/zinc/20/34/63/331203463.db2.gz DFXICYKMSQIBFA-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456790066 331204136 /nfs/dbraw/zinc/20/41/36/331204136.db2.gz VJSPFWCWGQEVLM-LURJTMIESA-N -1 1 297.223 3.588 20 0 CHADMM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456792712 331204140 /nfs/dbraw/zinc/20/41/40/331204140.db2.gz JTPDWKULSZAEMT-VHSXEESVSA-N -1 1 283.318 3.825 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000456796903 331204253 /nfs/dbraw/zinc/20/42/53/331204253.db2.gz XPXJVKFYHZISDR-QMMMGPOBSA-N -1 1 271.307 3.681 20 0 CHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CCC[C@H](C)C1 ZINC000456992760 331209694 /nfs/dbraw/zinc/20/96/94/331209694.db2.gz XFYYFHAOAVZUHF-GARJFASQSA-N -1 1 297.345 3.615 20 0 CHADMM CC(C)(C)C1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000457325640 331219108 /nfs/dbraw/zinc/21/91/08/331219108.db2.gz GVJRBRONQUTKMU-UHFFFAOYSA-N -1 1 283.371 3.664 20 0 CHADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000166847069 331307591 /nfs/dbraw/zinc/30/75/91/331307591.db2.gz NHCBOSGWBZZBJB-VWYCJHECSA-N -1 1 281.783 3.552 20 0 CHADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000516707008 333081154 /nfs/dbraw/zinc/08/11/54/333081154.db2.gz VWMBJFGAUSWPMV-UHFFFAOYSA-N -1 1 290.706 3.588 20 0 CHADMM Cc1ccc(NC(=O)c2ccccc2[O-])c2cccnc12 ZINC000219056851 333140830 /nfs/dbraw/zinc/14/08/30/333140830.db2.gz UEAIMIQHNLXUTN-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM Cc1cncc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000227103564 333276104 /nfs/dbraw/zinc/27/61/04/333276104.db2.gz FJJNWHSPGMCNFO-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CCO[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538578 333495075 /nfs/dbraw/zinc/49/50/75/333495075.db2.gz FUQGZTRNAKEDOW-VIFPVBQESA-N -1 1 293.750 3.562 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007098 333518123 /nfs/dbraw/zinc/51/81/23/333518123.db2.gz WINDJJXTHPAOOH-ZJUUUORDSA-N -1 1 291.347 3.643 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccccc2)CC1 ZINC000070333841 333807209 /nfs/dbraw/zinc/80/72/09/333807209.db2.gz RDRQINGOFNYQGI-UHFFFAOYSA-N -1 1 287.746 3.716 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c(F)c1 ZINC000131919846 333968660 /nfs/dbraw/zinc/96/86/60/333968660.db2.gz ZVHFUAQJLIEPKE-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000080923347 334175306 /nfs/dbraw/zinc/17/53/06/334175306.db2.gz FRKCAFCTKUJGLQ-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM Cc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000140490040 334279499 /nfs/dbraw/zinc/27/94/99/334279499.db2.gz GXVXIGJFEFOGKO-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]2CCCC[C@H]21 ZINC000248386224 334299774 /nfs/dbraw/zinc/29/97/74/334299774.db2.gz LSBRUDOEAOCNSY-SCDSUCTJSA-N -1 1 293.794 3.696 20 0 CHADMM Cc1cccc(N(C)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000552391134 334323073 /nfs/dbraw/zinc/32/30/73/334323073.db2.gz XCEAJLBUTSQSGH-UHFFFAOYSA-N -1 1 292.338 3.525 20 0 CHADMM CC(C)CO[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000556002683 334493097 /nfs/dbraw/zinc/49/30/97/334493097.db2.gz IAZAJEWNLUNIML-SECBINFHSA-N -1 1 296.754 3.829 20 0 CHADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000576642566 335229850 /nfs/dbraw/zinc/22/98/50/335229850.db2.gz FWWDUNDFPONGHS-ZDUSSCGKSA-N -1 1 287.762 3.554 20 0 CHADMM CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1C ZINC000576865133 335257332 /nfs/dbraw/zinc/25/73/32/335257332.db2.gz YJWWQMWTFRSDGL-UHFFFAOYSA-N -1 1 291.297 3.794 20 0 CHADMM Cc1sc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000576880896 335259649 /nfs/dbraw/zinc/25/96/49/335259649.db2.gz RNHZYXIGZTZIAB-VIFPVBQESA-N -1 1 279.361 3.541 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccco1 ZINC000576880896 335259651 /nfs/dbraw/zinc/25/96/51/335259651.db2.gz RNHZYXIGZTZIAB-VIFPVBQESA-N -1 1 279.361 3.541 20 0 CHADMM Cc1cc(CN(C)Cc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000577184166 335318439 /nfs/dbraw/zinc/31/84/39/335318439.db2.gz KYAJNFXEEUWQEA-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2ccccn2c1 ZINC000182870216 335848121 /nfs/dbraw/zinc/84/81/21/335848121.db2.gz CINGLGSGLFQGGB-UHFFFAOYSA-N -1 1 286.718 3.551 20 0 CHADMM CCN(CC(C)(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000386214118 336168376 /nfs/dbraw/zinc/16/83/76/336168376.db2.gz YCFQKUZXZAPBOC-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCSC3)n2)c(Cl)c1 ZINC000333048536 534451405 /nfs/dbraw/zinc/45/14/05/534451405.db2.gz KUGFBOYJGMSRNO-MRVPVSSYSA-N -1 1 296.779 3.706 20 0 CHADMM CSc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329011 525971363 /nfs/dbraw/zinc/97/13/63/525971363.db2.gz OFOKAINCBUZQOD-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)c(Cl)c1 ZINC000340328485 527213735 /nfs/dbraw/zinc/21/37/35/527213735.db2.gz BZPWVSLZZLNAEG-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC000299744343 527635089 /nfs/dbraw/zinc/63/50/89/527635089.db2.gz OHACPQISVVAAJH-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1F ZINC000223570168 598180905 /nfs/dbraw/zinc/18/09/05/598180905.db2.gz HRAHJUYNCMZCCS-SNVBAGLBSA-N -1 1 291.297 3.514 20 0 CHADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000736339381 600100773 /nfs/dbraw/zinc/10/07/73/600100773.db2.gz HOSHCJHRBGCBQZ-UHFFFAOYSA-N -1 1 293.750 3.656 20 0 CHADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@@H](c2ccco2)C1 ZINC000578329855 600861926 /nfs/dbraw/zinc/86/19/26/600861926.db2.gz PZPDLXDCDBMVDJ-SMDDNHRTSA-N -1 1 289.331 3.544 20 0 CHADMM C[C@@H]1c2ccccc2CN1[C@H](C(=O)[O-])c1ccccc1F ZINC000828526840 601116848 /nfs/dbraw/zinc/11/68/48/601116848.db2.gz DZZZSRCSUJAWKX-BZNIZROVSA-N -1 1 285.318 3.528 20 0 CHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000828455490 601647582 /nfs/dbraw/zinc/64/75/82/601647582.db2.gz DCTWZYADOHDEBM-SJKOYZFVSA-N -1 1 299.345 3.717 20 0 CHADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000833461105 605141942 /nfs/dbraw/zinc/14/19/42/605141942.db2.gz NNCDIKXBTMBIIU-UHFFFAOYSA-N -1 1 293.750 3.656 20 0 CHADMM CCCCCC[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267912 1125466862 /nfs/dbraw/zinc/46/68/62/1125466862.db2.gz ZZZZNYPDJSUKSJ-LLVKDONJSA-N -1 1 267.344 3.620 20 0 CHADMM Cc1cc(CN(C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000048880447 957468590 /nfs/dbraw/zinc/46/85/90/957468590.db2.gz CWBGOVPFMWGORZ-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM CC[C@@H](C)c1cc(C(=O)[N-]c2c(F)cccc2F)on1 ZINC000128857628 1125468913 /nfs/dbraw/zinc/46/89/13/1125468913.db2.gz RPWSFZGGXQRWSG-MRVPVSSYSA-N -1 1 280.274 3.719 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000228159376 959995869 /nfs/dbraw/zinc/99/58/69/959995869.db2.gz APDDHDNSRFJALD-CQSZACIVSA-N -1 1 293.750 3.872 20 0 CHADMM C[C@@H](c1cccc(Cl)c1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736213 960438789 /nfs/dbraw/zinc/43/87/89/960438789.db2.gz RSRIJZDTDQJJBQ-SCVCMEIPSA-N -1 1 299.773 3.583 20 0 CHADMM C[C@@H](c1cccc(Cl)c1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573750109 960551512 /nfs/dbraw/zinc/55/15/12/960551512.db2.gz ZLORGNPMFINEGN-VWYCJHECSA-N -1 1 299.773 3.583 20 0 CHADMM Cc1cc(CN(C)[C@H](C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000573733743 974770712 /nfs/dbraw/zinc/77/07/12/974770712.db2.gz KBNOSBNTSJRXLM-LLVKDONJSA-N -1 1 291.322 3.618 20 0 CHADMM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])co1 ZINC000902380733 980863789 /nfs/dbraw/zinc/86/37/89/980863789.db2.gz KEHYVHZLBDMDTG-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM Cc1oc(CNCc2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000902446247 980891455 /nfs/dbraw/zinc/89/14/55/980891455.db2.gz XMFYMCSUXNAIFL-UHFFFAOYSA-N -1 1 299.370 3.844 20 0 CHADMM CCCC[C@@H](C(=O)[O-])N1CC(C)(C)[C@H]1c1cccs1 ZINC001595629035 981794692 /nfs/dbraw/zinc/79/46/92/981794692.db2.gz USQQBKALCPFNDG-WCQYABFASA-N -1 1 281.421 3.774 20 0 CHADMM CCCC[C@@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC001595637880 981936962 /nfs/dbraw/zinc/93/69/62/981936962.db2.gz WQTNWVWZGYFUSB-ZYHUDNBSSA-N -1 1 292.404 3.590 20 0 CHADMM C/C(=C\c1ccccc1)CN(C)Cc1occc1C(=O)[O-] ZINC001589003901 984957985 /nfs/dbraw/zinc/95/79/85/984957985.db2.gz PUOKKGJVNRPIKJ-JLHYYAGUSA-N -1 1 285.343 3.513 20 0 CHADMM CC(C)[C@H](NCc1occc1C(=O)[O-])c1ccccc1F ZINC001591034108 991351397 /nfs/dbraw/zinc/35/13/97/991351397.db2.gz ZSCYRRFGDBKJOB-HNNXBMFYSA-N -1 1 291.322 3.604 20 0 CHADMM CC(C)[C@@H]1CN([C@H](C)c2ncc(C(=O)[O-])s2)[C@@H]1C(C)C ZINC001591093366 991657554 /nfs/dbraw/zinc/65/75/54/991657554.db2.gz RHQXABRNOBBBRB-NTZNESFSSA-N -1 1 296.436 3.515 20 0 CHADMM CC(C)C[C@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207619 992042808 /nfs/dbraw/zinc/04/28/08/992042808.db2.gz STJDKDMEFPPZKA-NWDGAFQWSA-N -1 1 296.436 3.660 20 0 CHADMM CCc1cccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176663889 1121671379 /nfs/dbraw/zinc/67/13/79/1121671379.db2.gz OOQWQZYQFYKMON-UHFFFAOYSA-N -1 1 268.238 3.511 20 0 CHADMM Cc1cnc(Nc2cc([O-])c(F)c(F)c2F)c(Cl)c1 ZINC001249960742 1121966876 /nfs/dbraw/zinc/96/68/76/1121966876.db2.gz RRLYFLPTTSLNAK-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000041638408 1123594313 /nfs/dbraw/zinc/59/43/13/1123594313.db2.gz NYQOAZGYHZDCIX-UHFFFAOYSA-N -1 1 283.799 3.800 20 0 CHADMM C[C@H](CC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858518601 1123660288 /nfs/dbraw/zinc/66/02/88/1123660288.db2.gz SZLPTXKNJDSWGN-SECBINFHSA-N -1 1 269.776 3.606 20 0 CHADMM CC1CCC(=CC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000863010284 1123839835 /nfs/dbraw/zinc/83/98/35/1123839835.db2.gz RHLGVZQWTKIBIC-UHFFFAOYSA-N -1 1 263.312 3.606 20 0 CHADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000530007137 1125109826 /nfs/dbraw/zinc/10/98/26/1125109826.db2.gz YGOROMURCMTCRL-UHFFFAOYSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@H](Oc1cc(Cl)c([O-])cc1Cl)c1cnccn1 ZINC001227644636 1135852070 /nfs/dbraw/zinc/85/20/70/1135852070.db2.gz BENZZZWORBDGMZ-ZETCQYMHSA-N -1 1 285.130 3.629 20 0 CHADMM Cc1cc(F)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000134806112 1125568220 /nfs/dbraw/zinc/56/82/20/1125568220.db2.gz XWZNOCRSPQWOAZ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@@H]2CCC(C)C)s[n-]1 ZINC000509678953 1125573388 /nfs/dbraw/zinc/57/33/88/1125573388.db2.gz GQXOEAXKNJNALP-JHJVBQTASA-N -1 1 297.468 3.684 20 0 CHADMM CO[C@@H](C)c1nc(=NC(CC(C)C)CC(C)C)s[n-]1 ZINC000509682762 1125778099 /nfs/dbraw/zinc/77/80/99/1125778099.db2.gz 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/nfs/dbraw/zinc/01/25/76/1127012576.db2.gz FCMOTDKQKQDBNY-QMMMGPOBSA-N -1 1 298.180 3.529 20 0 CHADMM CSCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000814761841 1130909096 /nfs/dbraw/zinc/90/90/96/1130909096.db2.gz XNSIDEDRQBVYRA-UHFFFAOYSA-N -1 1 278.402 3.570 20 0 CHADMM CCOc1cc(C(=O)N(CC)CC(C)C)cc(Cl)c1[O-] ZINC000273953722 1127103512 /nfs/dbraw/zinc/10/35/12/1127103512.db2.gz NCHHJWOXGHPMFH-UHFFFAOYSA-N -1 1 299.798 3.562 20 0 CHADMM COc1cccc2cc(C=C3SC(=S)[N-]C3=O)oc21 ZINC000045299523 1127199226 /nfs/dbraw/zinc/19/92/26/1127199226.db2.gz FKVUEYJKUDZTPS-POHAHGRESA-N -1 1 291.353 3.771 20 0 CHADMM CC(C)C[C@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000590104241 1127248241 /nfs/dbraw/zinc/24/82/41/1127248241.db2.gz SXGFBTHJOSCGRE-NSHDSACASA-N -1 1 291.420 3.571 20 0 CHADMM CSc1cc(C)ccc1NC(=O)c1cccc([O-])c1F ZINC001299451716 1127258621 /nfs/dbraw/zinc/25/86/21/1127258621.db2.gz GEZXDLAPMCZZGA-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289099885 1127373805 /nfs/dbraw/zinc/37/38/05/1127373805.db2.gz CCFXERBMLDZCLW-MNOVXSKESA-N -1 1 297.345 3.615 20 0 CHADMM Cc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)no1 ZINC000362332747 1127628710 /nfs/dbraw/zinc/62/87/10/1127628710.db2.gz JAYLXAFEPRLTQE-UHFFFAOYSA-N -1 1 296.113 3.606 20 0 CHADMM CC(C)=CCC[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000295530360 1127645600 /nfs/dbraw/zinc/64/56/00/1127645600.db2.gz FMBYKOGSUVAJSO-SNVBAGLBSA-N -1 1 283.318 3.535 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCCC3(F)F)n2)c(F)c1 ZINC000296654117 1127681093 /nfs/dbraw/zinc/68/10/93/1127681093.db2.gz DPMFZUNCAKSRML-JTQLQIEISA-N -1 1 298.264 3.874 20 0 CHADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1c([O-])cccc1F ZINC000605439358 1127735845 /nfs/dbraw/zinc/73/58/45/1127735845.db2.gz VZOGCGCNNGALHT-UHFFFAOYSA-N -1 1 299.345 3.591 20 0 CHADMM O=C(Cc1cccc2ccccc21)Nc1c([O-])cccc1F ZINC000605439242 1127736306 /nfs/dbraw/zinc/73/63/06/1127736306.db2.gz VQAFDNCNYDKYCA-UHFFFAOYSA-N -1 1 295.313 3.866 20 0 CHADMM CC(C)c1scnc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450897196 1127760651 /nfs/dbraw/zinc/76/06/51/1127760651.db2.gz MJODTHFSOMKCQT-UHFFFAOYSA-N -1 1 298.314 3.503 20 0 CHADMM [O-]c1cccc(CN2CCC[C@H](F)C(F)(F)C2)c1Cl ZINC001232784750 1127853377 /nfs/dbraw/zinc/85/33/77/1127853377.db2.gz SWHNFVIPZOXSFI-NSHDSACASA-N -1 1 293.716 3.615 20 0 CHADMM Cc1cccc([C@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000608365176 1127862589 /nfs/dbraw/zinc/86/25/89/1127862589.db2.gz AKGUGTUEHYXCGM-NSHDSACASA-N -1 1 273.307 3.582 20 0 CHADMM C[C@H]1CC(C)(C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000412765551 1127925262 /nfs/dbraw/zinc/92/52/62/1127925262.db2.gz NQWXZEMQUXXZIP-LBPRGKRZSA-N -1 1 283.371 3.806 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@H]3CCCC3(F)F)n2)cc1F ZINC000924009343 1128088974 /nfs/dbraw/zinc/08/89/74/1128088974.db2.gz XVGZINHYJOUEOO-SECBINFHSA-N -1 1 298.264 3.559 20 0 CHADMM CCCN(CC1CCCCC1)C(=O)c1ncc(C)cc1[O-] ZINC000495099365 1128230581 /nfs/dbraw/zinc/23/05/81/1128230581.db2.gz FJNVVYXWUYAMOG-UHFFFAOYSA-N -1 1 290.407 3.528 20 0 CHADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1cccc(Cl)c1 ZINC000777950093 1128343826 /nfs/dbraw/zinc/34/38/26/1128343826.db2.gz SIRGUOOOTKERJU-NSHDSACASA-N -1 1 281.783 3.824 20 0 CHADMM CC(C)CCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000562043080 1128373711 /nfs/dbraw/zinc/37/37/11/1128373711.db2.gz IURYCKVHMOFTQX-UHFFFAOYSA-N -1 1 262.325 3.648 20 0 CHADMM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000067738912 1128487459 /nfs/dbraw/zinc/48/74/59/1128487459.db2.gz ZKVYAZZYRCXEMZ-FNORWQNLSA-N -1 1 277.707 3.599 20 0 CHADMM [O-]c1ccc(-c2nnc(C3CCCC3)o2)c(Cl)c1 ZINC001257499618 1128509475 /nfs/dbraw/zinc/50/94/75/1128509475.db2.gz KIOWYSZJAGHZBC-UHFFFAOYSA-N -1 1 264.712 3.753 20 0 CHADMM Cc1cnc(S[C@H]2CCc3ccc(Cl)cc32)[n-]c1=O ZINC000568271588 1128581262 /nfs/dbraw/zinc/58/12/62/1128581262.db2.gz FXYOQKLVEUXYPW-LBPRGKRZSA-N -1 1 292.791 3.924 20 0 CHADMM CCc1cccc(CSc2nc(CC)c(C)c(=O)[n-]2)c1 ZINC000568533720 1128586707 /nfs/dbraw/zinc/58/67/07/1128586707.db2.gz WSBJKWPNSRHGFW-UHFFFAOYSA-N -1 1 288.416 3.908 20 0 CHADMM Cc1ccccc1C(C)(C)NC(=O)c1c([O-])cccc1F ZINC000622620697 1117748291 /nfs/dbraw/zinc/74/82/91/1117748291.db2.gz XTTGGQBDGLRLFE-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM [O-]c1ccc(-c2noc(CCC3CCCC3)n2)cc1F ZINC000445478931 1117757957 /nfs/dbraw/zinc/75/79/57/1117757957.db2.gz DWTWIULAWHTUPW-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402879743 1117780562 /nfs/dbraw/zinc/78/05/62/1117780562.db2.gz HSZBRJXVRWSQNT-JFGNBEQYSA-N -1 1 277.751 3.586 20 0 CHADMM O=C(/C=C/C1CCCCC1)Nc1c([O-])cccc1F ZINC000092550881 1117856372 /nfs/dbraw/zinc/85/63/72/1117856372.db2.gz KOEBCUFPZPCCON-MDZDMXLPSA-N -1 1 263.312 3.606 20 0 CHADMM Cc1ccc(F)c(-c2cnc3cc(F)ccc3n2)c1[O-] ZINC001236390981 1128745872 /nfs/dbraw/zinc/74/58/72/1128745872.db2.gz KYJDCBAOQWCHRT-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM COc1cc([C@H](C)[N-]C(=O)C(F)(F)F)cc2ccccc21 ZINC000890790774 1118130148 /nfs/dbraw/zinc/13/01/48/1118130148.db2.gz CWONUHBZNUYFNP-VIFPVBQESA-N -1 1 297.276 3.588 20 0 CHADMM CCOc1cc(-c2noc([C@H]3C[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000683589430 1118204785 /nfs/dbraw/zinc/20/47/85/1118204785.db2.gz RMZUFZOANXFEMG-CBAPKCEASA-N -1 1 294.738 3.618 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2cc[nH]c21 ZINC001210212015 1118205354 /nfs/dbraw/zinc/20/53/54/1118205354.db2.gz USDCZNBGXDVWBX-UHFFFAOYSA-N -1 1 259.696 3.666 20 0 CHADMM Cc1ccc([N-]c2nnco2)cc1OCc1ccccc1 ZINC001210252579 1118223598 /nfs/dbraw/zinc/22/35/98/1118223598.db2.gz NIGMIHLRONMBBX-UHFFFAOYSA-N -1 1 281.315 3.701 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(C(F)(F)F)cc1 ZINC001648848070 1118253950 /nfs/dbraw/zinc/25/39/50/1118253950.db2.gz YOYIQNVPCCLQOX-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM O=C(CCC1CCCCC1)Nc1cccc(F)c1[O-] ZINC001648848034 1118254233 /nfs/dbraw/zinc/25/42/33/1118254233.db2.gz XMHUWIQQLGDDLN-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM Cc1cccc(Cl)c1C(=O)Nc1cccc(F)c1[O-] ZINC001648850572 1118255901 /nfs/dbraw/zinc/25/59/01/1118255901.db2.gz IDZTXRQERUBONN-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)c(C)o1 ZINC000352326515 1118397594 /nfs/dbraw/zinc/39/75/94/1118397594.db2.gz ITPFLLBNPYCLHF-UHFFFAOYSA-N -1 1 254.289 3.521 20 0 CHADMM CC(C)(CC(F)(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000616100535 1128775325 /nfs/dbraw/zinc/77/53/25/1128775325.db2.gz JUXSPPFYFOFRTH-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM [O-]c1c(Cl)cc(Nc2cncc(O)c2)cc1Cl ZINC001210924895 1118424152 /nfs/dbraw/zinc/42/41/52/1118424152.db2.gz WCCCLCMTAGZZHA-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM O=C(NC1(C2CCC2)CC1)c1cc2ccccc2cc1[O-] ZINC000622741530 1118427618 /nfs/dbraw/zinc/42/76/18/1118427618.db2.gz HKTQJGFJHFPATB-UHFFFAOYSA-N -1 1 281.355 3.608 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc2ccccc21 ZINC000089541211 1118437304 /nfs/dbraw/zinc/43/73/04/1118437304.db2.gz VEFRBYMRVUUAMF-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3scnc3c2)cc1F ZINC001211339967 1118505564 /nfs/dbraw/zinc/50/55/64/1118505564.db2.gz QVLBALLMXCPEFF-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(C3OCCO3)c(F)c2)cc1F ZINC001211349263 1118506155 /nfs/dbraw/zinc/50/61/55/1118506155.db2.gz BUAUPSASQMZBSM-UHFFFAOYSA-N -1 1 296.244 3.522 20 0 CHADMM CC1(c2cccc(-c3cc(F)c([O-])cc3F)c2)OCCO1 ZINC001211353650 1118507128 /nfs/dbraw/zinc/50/71/28/1118507128.db2.gz YLYIOUNIABXUPO-UHFFFAOYSA-N -1 1 292.281 3.557 20 0 CHADMM Cc1cc(C)c(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001213515810 1118512786 /nfs/dbraw/zinc/51/27/86/1118512786.db2.gz MNLATSWFLJZZGT-UHFFFAOYSA-N -1 1 266.703 3.940 20 0 CHADMM Cc1cc2[n-]c(CCCc3ccsc3)nc(=O)c2s1 ZINC000656491252 1118564894 /nfs/dbraw/zinc/56/48/94/1118564894.db2.gz KBOPYPKTKZDOFC-UHFFFAOYSA-N -1 1 290.413 3.942 20 0 CHADMM CC(C)c1ccc(N)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001216022188 1118704426 /nfs/dbraw/zinc/70/44/26/1118704426.db2.gz LWTYUNISNILVFQ-UHFFFAOYSA-N -1 1 277.755 3.890 20 0 CHADMM Cc1cc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)ccc1[O-] ZINC000077166019 1128796667 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O=c1cc(C(F)F)nc(SCc2ccccc2F)[n-]1 ZINC000685575232 1119634598 /nfs/dbraw/zinc/63/45/98/1119634598.db2.gz RFNRUODAVRZZKM-UHFFFAOYSA-N -1 1 286.278 3.551 20 0 CHADMM Cc1nnc(C(=O)[N-]c2ccccc2SC(C)C)s1 ZINC000612400906 1119783589 /nfs/dbraw/zinc/78/35/89/1119783589.db2.gz QYMPKLXCYFWYQO-UHFFFAOYSA-N -1 1 293.417 3.599 20 0 CHADMM CCC[C@@H](CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000643966987 1119822394 /nfs/dbraw/zinc/82/23/94/1119822394.db2.gz ATSKOLAJLLVXNW-SNVBAGLBSA-N -1 1 289.297 3.720 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCC2(CC2)CC1 ZINC000612758718 1119822593 /nfs/dbraw/zinc/82/25/93/1119822593.db2.gz CCKTVYXXYOWLEM-UHFFFAOYSA-N -1 1 279.767 3.955 20 0 CHADMM CC1(C)CC=C(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000628960202 1128889062 /nfs/dbraw/zinc/88/90/62/1128889062.db2.gz KIFQRDCFHHAXAI-UHFFFAOYSA-N -1 1 263.312 3.606 20 0 CHADMM CC(C)C[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960271 1128889526 /nfs/dbraw/zinc/88/95/26/1128889526.db2.gz BQRGMTLYMBSNIR-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM CC(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181053572 1120101331 /nfs/dbraw/zinc/10/13/31/1120101331.db2.gz IYFVWGCFKBUVEY-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000378835664 1120134782 /nfs/dbraw/zinc/13/47/82/1120134782.db2.gz MEIMGRNXBXMMRI-MLGOLLRUSA-N -1 1 281.355 3.560 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165681216 1120180257 /nfs/dbraw/zinc/18/02/57/1120180257.db2.gz SGNCYELRJIBKLW-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM CCC[C@@H](C)CCCSc1ncc(C)c(=O)[n-]1 ZINC000629179448 1128900288 /nfs/dbraw/zinc/90/02/88/1128900288.db2.gz DTBKBZDSPICHHD-SNVBAGLBSA-N -1 1 254.399 3.799 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)c1sccc1Cl ZINC001625893700 1120235264 /nfs/dbraw/zinc/23/52/64/1120235264.db2.gz JZSJYUDMBGWEFX-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc(Cl)c1 ZINC001625893705 1120235269 /nfs/dbraw/zinc/23/52/69/1120235269.db2.gz KHFRZADKKQLNGX-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1F ZINC000417541138 1120455154 /nfs/dbraw/zinc/45/51/54/1120455154.db2.gz YCVXCELSBQUYSP-ZDUSSCGKSA-N -1 1 293.363 3.501 20 0 CHADMM Cc1ccc(-c2nc(=O)c3c4ccccc4sc3[n-]2)o1 ZINC000080128082 1120457992 /nfs/dbraw/zinc/45/79/92/1120457992.db2.gz MHXUEYCJPRWYAL-UHFFFAOYSA-N -1 1 282.324 3.706 20 0 CHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000047215591 1120641643 /nfs/dbraw/zinc/64/16/43/1120641643.db2.gz VLQKORWGMCZRBJ-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000197316873 1120652386 /nfs/dbraw/zinc/65/23/86/1120652386.db2.gz OTKIPVXBDRGGCC-UHFFFAOYSA-N -1 1 289.400 3.748 20 0 CHADMM CCCCc1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191528501 1128942415 /nfs/dbraw/zinc/94/24/15/1128942415.db2.gz VKVHSWUFJXFPHA-UHFFFAOYSA-N -1 1 299.733 3.522 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000048652182 1120835878 /nfs/dbraw/zinc/83/58/78/1120835878.db2.gz UGGAMWBUNPJQPQ-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM C=CNc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001174787167 1121030445 /nfs/dbraw/zinc/03/04/45/1121030445.db2.gz PDQZEYODJHMIFN-UHFFFAOYSA-N -1 1 285.187 3.554 20 0 CHADMM [O-]c1cc(Nc2cccc3cccnc32)cc(F)c1F ZINC001174860131 1121068635 /nfs/dbraw/zinc/06/86/35/1121068635.db2.gz UMCXBYBYDVNGNW-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM [O-]c1cc(Nc2ccc3c(c2)OCO3)c(F)cc1Cl ZINC001174864271 1121071170 /nfs/dbraw/zinc/07/11/70/1121071170.db2.gz JIZCQBBWWSBRGV-UHFFFAOYSA-N -1 1 281.670 3.657 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc2ncccc21 ZINC001174907804 1121087961 /nfs/dbraw/zinc/08/79/61/1121087961.db2.gz PZGUMNXWSVMKIZ-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM CCCCSCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000701130676 1121134122 /nfs/dbraw/zinc/13/41/22/1121134122.db2.gz ILKPHJHYLSCUSE-UHFFFAOYSA-N -1 1 273.785 3.517 20 0 CHADMM [O-]c1c(F)cc(Nc2c(F)ccc(F)c2F)cc1F ZINC001175032296 1121151621 /nfs/dbraw/zinc/15/16/21/1121151621.db2.gz MLZXCZGPZWHODC-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Cc1ncsc1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000067006373 1121155339 /nfs/dbraw/zinc/15/53/39/1121155339.db2.gz HJJTYVNLSYLBBZ-HWKANZROSA-N -1 1 279.748 3.707 20 0 CHADMM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc2n1 ZINC001175215934 1121226994 /nfs/dbraw/zinc/22/69/94/1121226994.db2.gz VNNUVNDRHHNOEC-UHFFFAOYSA-N -1 1 296.301 3.546 20 0 CHADMM CCOc1ccc(Nc2ccc(F)c(F)c2[O-])c(F)c1 ZINC001175253397 1121231410 /nfs/dbraw/zinc/23/14/10/1121231410.db2.gz HVGUTUOTISOOQB-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001175231303 1121234405 /nfs/dbraw/zinc/23/44/05/1121234405.db2.gz XGHRXUKNXYQBJD-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000436701873 1121239077 /nfs/dbraw/zinc/23/90/77/1121239077.db2.gz BZIHCXYQAKVLNJ-YVEFUNNKSA-N -1 1 299.345 3.755 20 0 CHADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436704097 1121240082 /nfs/dbraw/zinc/24/00/82/1121240082.db2.gz KWNHCMVFJOJRTR-BLLLJJGKSA-N -1 1 299.345 3.755 20 0 CHADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436704105 1121240183 /nfs/dbraw/zinc/24/01/83/1121240183.db2.gz KWNHCMVFJOJRTR-WBMJQRKESA-N -1 1 299.345 3.755 20 0 CHADMM CCOc1ccc([N-]c2nnc(C(C)(C)C)o2)c(F)c1 ZINC001175247068 1121244572 /nfs/dbraw/zinc/24/45/72/1121244572.db2.gz LBDNHLKWMDIJEV-UHFFFAOYSA-N -1 1 279.315 3.649 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001175274460 1121248101 /nfs/dbraw/zinc/24/81/01/1121248101.db2.gz IAVKLGYYLZPZEJ-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CSc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175288710 1121256513 /nfs/dbraw/zinc/25/65/13/1121256513.db2.gz KBEXKLFREZNYPZ-UHFFFAOYSA-N -1 1 299.351 3.964 20 0 CHADMM O=C1CCCc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175269612 1121269701 /nfs/dbraw/zinc/26/97/01/1121269701.db2.gz IAOPNTWBQVVMSG-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000187421609 1121287508 /nfs/dbraw/zinc/28/75/08/1121287508.db2.gz MZSBASWCYBDTOV-BLLLJJGKSA-N -1 1 283.371 3.806 20 0 CHADMM C[S@@](=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001175477232 1121335099 /nfs/dbraw/zinc/33/50/99/1121335099.db2.gz WHMYXUUSYXWZNK-LJQANCHMSA-N -1 1 299.754 3.666 20 0 CHADMM CCc1ccc([C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000676056222 1121400507 /nfs/dbraw/zinc/40/05/07/1121400507.db2.gz VSQYTLISRRVZAD-LLVKDONJSA-N -1 1 287.334 3.836 20 0 CHADMM COc1cc(C)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211732316 1121434641 /nfs/dbraw/zinc/43/46/41/1121434641.db2.gz ZJFNUJNSWSNWIN-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cscn1 ZINC001175944636 1121492319 /nfs/dbraw/zinc/49/23/19/1121492319.db2.gz ZNQOTYUYFRLPLJ-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc3cccnc31)CCCCC2 ZINC000614188395 1121516942 /nfs/dbraw/zinc/51/69/42/1121516942.db2.gz BARLJPZAIJHYMF-OAHLLOKOSA-N -1 1 293.370 3.513 20 0 CHADMM [S-]c1cc(Cl)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176004933 1121522453 /nfs/dbraw/zinc/52/24/53/1121522453.db2.gz QSTRAGNNRMXUCY-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM [S-]c1cc(Cl)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176004933 1121522457 /nfs/dbraw/zinc/52/24/57/1121522457.db2.gz QSTRAGNNRMXUCY-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM [O-]c1cc(Nc2cccc3c2OCC3)c(F)cc1Cl ZINC001176076363 1121531462 /nfs/dbraw/zinc/53/14/62/1121531462.db2.gz NPODZEUBFFLSNW-UHFFFAOYSA-N -1 1 279.698 3.863 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(Cl)c1 ZINC001176221772 1121579314 /nfs/dbraw/zinc/57/93/14/1121579314.db2.gz QBSPFMPRLBNYMM-UHFFFAOYSA-N -1 1 287.702 3.896 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2csc(CO)c2)c1Cl ZINC001176369021 1121616730 /nfs/dbraw/zinc/61/67/30/1121616730.db2.gz FQJJXZRVZFTEGW-UHFFFAOYSA-N -1 1 290.171 3.996 20 0 CHADMM Cc1cccc2nc(-c3cc([O-])cc(Cl)c3)[nH]c(=O)c12 ZINC000487507097 1121619693 /nfs/dbraw/zinc/61/96/93/1121619693.db2.gz XQXDSAFHSVZDCL-UHFFFAOYSA-N -1 1 286.718 3.670 20 0 CHADMM Cc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001176395975 1121624449 /nfs/dbraw/zinc/62/44/49/1121624449.db2.gz LJLSBZXCJWEDHM-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM Cc1cc(C)nc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176587754 1121649227 /nfs/dbraw/zinc/64/92/27/1121649227.db2.gz BLUQAQVGKHJYKG-VMPITWQZSA-N -1 1 268.316 3.540 20 0 CHADMM Cc1cc(N)c(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670827 1121671559 /nfs/dbraw/zinc/67/15/59/1121671559.db2.gz MLICJSJGNMHJHW-UHFFFAOYSA-N -1 1 286.228 3.583 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2CC2CCC2)c1F ZINC001176669678 1121671777 /nfs/dbraw/zinc/67/17/77/1121671777.db2.gz KBYBFZXPYYTWDO-UHFFFAOYSA-N -1 1 297.280 3.550 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnc(C3CC3)s2)c1F ZINC001176664694 1121671993 /nfs/dbraw/zinc/67/19/93/1121671993.db2.gz XPBIMRUATLRGQU-UHFFFAOYSA-N -1 1 286.278 3.887 20 0 CHADMM Cc1cc2ccc(N)cc2n1-c1c(F)cc(F)c([O-])c1F ZINC001176672914 1121673278 /nfs/dbraw/zinc/67/32/78/1121673278.db2.gz AYAIDOJUBHMFAC-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1N1CCCC1 ZINC001177207656 1121716861 /nfs/dbraw/zinc/71/68/61/1121716861.db2.gz QAECNDVEDURDHW-UHFFFAOYSA-N -1 1 296.370 3.553 20 0 CHADMM CCCCC[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000729374903 1121785586 /nfs/dbraw/zinc/78/55/86/1121785586.db2.gz ZZOWHASYJTXMSQ-LBPRGKRZSA-N -1 1 273.298 3.987 20 0 CHADMM O=C(OC/C=C\Cl)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362957 1121803848 /nfs/dbraw/zinc/80/38/48/1121803848.db2.gz YBBLLEJTVNJXCX-RJRFIUFISA-N -1 1 281.522 3.608 20 0 CHADMM CC1(C)C(C)(C)C1(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001179990759 1121934757 /nfs/dbraw/zinc/93/47/57/1121934757.db2.gz GCHOYYNSDYNVFZ-UHFFFAOYSA-N -1 1 295.810 3.529 20 0 CHADMM [O-]c1cc(Nc2cccnc2Cl)c(F)c(F)c1F ZINC001249959044 1121954914 /nfs/dbraw/zinc/95/49/14/1121954914.db2.gz VSNUJJKQEVDMQO-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1cc(Nc2ccc(F)cc2)c(F)c(F)c1F ZINC001249962721 1121973536 /nfs/dbraw/zinc/97/35/36/1121973536.db2.gz MXUORHZZYLSSCA-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM [O-]c1cc(Nc2cccc(F)c2)c(F)c(F)c1F ZINC001249962858 1121975768 /nfs/dbraw/zinc/97/57/68/1121975768.db2.gz ONZFCJNGXOPJTA-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM [O-]c1cc(Nc2ccc3nnsc3c2)c(F)c(F)c1F ZINC001249965886 1121987951 /nfs/dbraw/zinc/98/79/51/1121987951.db2.gz QMSPWNFDGADTIX-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM CC(C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181492804 1122058213 /nfs/dbraw/zinc/05/82/13/1122058213.db2.gz KCXFPSOTVOTHDP-QMMMGPOBSA-N -1 1 275.270 3.642 20 0 CHADMM Cn1nc2c(c1Nc1cc(Cl)c([O-])cc1F)CCCC2 ZINC001250020583 1122074319 /nfs/dbraw/zinc/07/43/19/1122074319.db2.gz XDLDXBNSERTOOJ-UHFFFAOYSA-N -1 1 295.745 3.541 20 0 CHADMM Cc1cc(Nc2cc(Cl)c([O-])cc2F)ccc1O ZINC001250022051 1122080915 /nfs/dbraw/zinc/08/09/15/1122080915.db2.gz FLGBMDCSJUACAW-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1(C2CC2)CC1 ZINC001183800359 1122240005 /nfs/dbraw/zinc/24/00/05/1122240005.db2.gz OYZAVMMJQAMQHU-UHFFFAOYSA-N -1 1 285.265 3.540 20 0 CHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cccc(F)c1[O-] ZINC001185763588 1122359252 /nfs/dbraw/zinc/35/92/52/1122359252.db2.gz MTTONDUFVHORNX-UHFFFAOYSA-N -1 1 286.306 3.664 20 0 CHADMM [O-]c1ccc(F)c(Nc2ncc(F)s2)c1Cl ZINC001250227867 1122373412 /nfs/dbraw/zinc/37/34/12/1122373412.db2.gz ACLDBTLVABROHT-UHFFFAOYSA-N -1 1 262.668 3.524 20 0 CHADMM CN(C)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250233818 1122378831 /nfs/dbraw/zinc/37/88/31/1122378831.db2.gz FILGFBIAXMDOCO-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM [O-]c1ccc(F)c(Nc2cc(O)c(F)cc2F)c1Cl ZINC001250233344 1122379298 /nfs/dbraw/zinc/37/92/98/1122379298.db2.gz MYFLMUJQTJKUPZ-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([O-])c(F)c1 ZINC001186236695 1122380057 /nfs/dbraw/zinc/38/00/57/1122380057.db2.gz LHLXQHVZXGNELZ-UHFFFAOYSA-N -1 1 289.281 3.800 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c(F)cc1[O-])C1CCCCC1 ZINC001186395013 1122389573 /nfs/dbraw/zinc/38/95/73/1122389573.db2.gz RCYOXRFQKFVGIR-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000425141203 1122396029 /nfs/dbraw/zinc/39/60/29/1122396029.db2.gz GDEPPVOWULFQBV-BXUZGUMPSA-N -1 1 299.374 3.547 20 0 CHADMM Cc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1F ZINC001187989652 1122449426 /nfs/dbraw/zinc/44/94/26/1122449426.db2.gz KOSUWQBCYJYCHA-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CSc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001188106993 1122454569 /nfs/dbraw/zinc/45/45/69/1122454569.db2.gz BLBLPKJDPWEXEH-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001189052625 1122487023 /nfs/dbraw/zinc/48/70/23/1122487023.db2.gz XGNCLCHHLPALIV-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CCC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436590709 1122564311 /nfs/dbraw/zinc/56/43/11/1122564311.db2.gz ZPWZYTJVPCJEGA-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000436720733 1122574867 /nfs/dbraw/zinc/57/48/67/1122574867.db2.gz HABMTHWUIXTHSZ-AWEZNQCLSA-N -1 1 295.382 3.808 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccccc2F)c([O-])c1 ZINC000436751129 1122579714 /nfs/dbraw/zinc/57/97/14/1122579714.db2.gz JAVYQXIEUVCEIQ-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000436854916 1122586350 /nfs/dbraw/zinc/58/63/50/1122586350.db2.gz VOQJAPFBGXARMP-CQSZACIVSA-N -1 1 299.345 3.551 20 0 CHADMM CCCC[C@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436821949 1122586659 /nfs/dbraw/zinc/58/66/59/1122586659.db2.gz RDVMLZDOILHBBK-JTQLQIEISA-N -1 1 299.798 3.705 20 0 CHADMM C[C@H](c1noc(-c2cc(F)ccc2[O-])n1)C(C)(C)C ZINC000436935045 1122596630 /nfs/dbraw/zinc/59/66/30/1122596630.db2.gz ZJSRXKLTPSQDIL-MRVPVSSYSA-N -1 1 264.300 3.731 20 0 CHADMM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000436955518 1122598581 /nfs/dbraw/zinc/59/85/81/1122598581.db2.gz GUBTUBSDNRYRIB-ZFWWWQNUSA-N -1 1 299.345 3.597 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC1(C)C ZINC000437004664 1122602576 /nfs/dbraw/zinc/60/25/76/1122602576.db2.gz MUVZKHRUVBTCAV-CYBMUJFWSA-N -1 1 281.783 3.552 20 0 CHADMM O=C(Nc1ccc2sccc2c1)Nc1ncccc1[O-] ZINC001192422835 1122643473 /nfs/dbraw/zinc/64/34/73/1122643473.db2.gz IURUWIAHFSBHIL-UHFFFAOYSA-N -1 1 285.328 3.646 20 0 CHADMM Cc1cc(NC(=O)Nc2c(F)cc([O-])cc2F)ccc1F ZINC001192393636 1122644731 /nfs/dbraw/zinc/64/47/31/1122644731.db2.gz KHWIRNQTDGTWIR-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1F)OC1CCCCC1 ZINC001193632855 1122702945 /nfs/dbraw/zinc/70/29/45/1122702945.db2.gz SXZXOEOEJMRERA-UHFFFAOYSA-N -1 1 271.263 3.552 20 0 CHADMM CO[C@@H](C)c1nc(=NCC(C)(C)C2CCCCC2)s[n-]1 ZINC000509582523 1122736032 /nfs/dbraw/zinc/73/60/32/1122736032.db2.gz IBYADPYNIMMSIT-NSHDSACASA-N -1 1 297.468 3.686 20 0 CHADMM CC(C)(C)COC(=O)Nc1cccc([O-])c1Cl ZINC001194386474 1122771063 /nfs/dbraw/zinc/77/10/63/1122771063.db2.gz GKRVZDWUTWSQNA-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000153763987 1129076867 /nfs/dbraw/zinc/07/68/67/1129076867.db2.gz HSWBGNCYCUKVSM-QWHCGFSZSA-N -1 1 283.371 3.664 20 0 CHADMM CC[C@@H](C)COC(=O)Nc1c([O-])cccc1Cl ZINC001194803085 1122805547 /nfs/dbraw/zinc/80/55/47/1122805547.db2.gz AWRNSWDBVPWOFD-MRVPVSSYSA-N -1 1 257.717 3.640 20 0 CHADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1ccccc1F ZINC001195777054 1122887485 /nfs/dbraw/zinc/88/74/85/1122887485.db2.gz VQPRGDAEQPSAOH-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM O=C([O-])[C@H](CC1CCCC1)NCc1cc2ccccc2o1 ZINC000426721482 1122910845 /nfs/dbraw/zinc/91/08/45/1122910845.db2.gz SGZQEADHXATZFK-HNNXBMFYSA-N -1 1 287.359 3.556 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(C)c2C)o1 ZINC000426792136 1122915997 /nfs/dbraw/zinc/91/59/97/1122915997.db2.gz IGRGSISIVVNFBE-HNNXBMFYSA-N -1 1 287.359 3.510 20 0 CHADMM [O-]c1cccc(NC(=S)Nc2ccc(F)cc2)c1Cl ZINC001196941409 1122940165 /nfs/dbraw/zinc/94/01/65/1122940165.db2.gz MWIVLLCOKQOEKI-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM [O-]c1ccc(NC(=S)Nc2ccc(F)cc2)c(F)c1F ZINC001196940644 1122940503 /nfs/dbraw/zinc/94/05/03/1122940503.db2.gz UWUJQSVYWBRVEU-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1cc(F)cc2nc(-c3ccc(F)c(O)c3F)[nH]c21 ZINC001251234393 1122954380 /nfs/dbraw/zinc/95/43/80/1122954380.db2.gz AYDFIOFWLXCCCV-UHFFFAOYSA-N -1 1 278.233 3.661 20 0 CHADMM Cc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1 ZINC000154635499 1129090299 /nfs/dbraw/zinc/09/02/99/1129090299.db2.gz NULUECNPDBFYAL-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM CC(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)=C1CCCC1 ZINC000843766605 1123088574 /nfs/dbraw/zinc/08/85/74/1123088574.db2.gz PEHDOZSFGIGMKW-UHFFFAOYSA-N -1 1 297.358 3.611 20 0 CHADMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000049094374 1123099635 /nfs/dbraw/zinc/09/96/35/1123099635.db2.gz MGEVARRLUDPKQR-SECBINFHSA-N -1 1 295.791 3.907 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cccc([O-])c1Cl ZINC001202185378 1123183073 /nfs/dbraw/zinc/18/30/73/1123183073.db2.gz VJTCQEJAAWOWDG-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001202198939 1123186264 /nfs/dbraw/zinc/18/62/64/1123186264.db2.gz OWMUNDMZOODUEM-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443279662 1123383701 /nfs/dbraw/zinc/38/37/01/1123383701.db2.gz ZMESLIVWNRGSTN-ZJUUUORDSA-N -1 1 299.798 3.609 20 0 CHADMM Cc1ccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cc1 ZINC000631028796 1123400187 /nfs/dbraw/zinc/40/01/87/1123400187.db2.gz OKSIPZNZTCOZGR-UHFFFAOYSA-N -1 1 286.400 3.969 20 0 CHADMM CCc1c(C(C)C)[n-]n(Cc2cccc3cccnc32)c1=O ZINC000634592435 1129119347 /nfs/dbraw/zinc/11/93/47/1129119347.db2.gz JLGONNURWYTNFH-HNNXBMFYSA-N -1 1 295.386 3.615 20 0 CHADMM CC(C)[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895883122 1123526365 /nfs/dbraw/zinc/52/63/65/1123526365.db2.gz BUHGVMVYEFEFNR-MRXNPFEDSA-N -1 1 299.370 3.512 20 0 CHADMM CCCC[C@@H](CCC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172696 1123603930 /nfs/dbraw/zinc/60/39/30/1123603930.db2.gz QYTGUQSXDMPNFH-CQSZACIVSA-N -1 1 294.391 3.959 20 0 CHADMM O=c1nc(N2CCC[C@@H]2CC2CCCCC2)cc(Cl)[n-]1 ZINC000858374645 1123648457 /nfs/dbraw/zinc/64/84/57/1123648457.db2.gz RQMWALXZEDOWBH-GFCCVEGCSA-N -1 1 295.814 3.775 20 0 CHADMM CC(C)CCN(c1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858372045 1123648718 /nfs/dbraw/zinc/64/87/18/1123648718.db2.gz KIXPEYODJQOGCN-UHFFFAOYSA-N -1 1 283.803 3.631 20 0 CHADMM C[C@H](CCNc1cc(Cl)[n-]c(=O)n1)CC(C)(C)C ZINC000858508490 1123659273 /nfs/dbraw/zinc/65/92/73/1123659273.db2.gz OFUBXBLRHGGZMD-SECBINFHSA-N -1 1 271.792 3.710 20 0 CHADMM Cc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2F)c(C)c1 ZINC001227382311 1123751379 /nfs/dbraw/zinc/75/13/79/1123751379.db2.gz CJAIIVPVXOWNFF-SNVBAGLBSA-N -1 1 278.352 3.661 20 0 CHADMM CN(C(=O)c1ccccc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000195590029 1129146996 /nfs/dbraw/zinc/14/69/96/1129146996.db2.gz KJJUIVMEEIQFSC-UHFFFAOYSA-N -1 1 283.371 3.966 20 0 CHADMM [O-]c1cc(Cl)c(OC[C@@H]2CCCCO2)cc1Cl ZINC001227642074 1123836183 /nfs/dbraw/zinc/83/61/83/1123836183.db2.gz VJAPOKXDSQKWFM-QMMMGPOBSA-N -1 1 277.147 3.647 20 0 CHADMM [O-]c1c(-c2nc(CCCCF)no2)ccc2ccccc21 ZINC000897207741 1123844664 /nfs/dbraw/zinc/84/46/64/1123844664.db2.gz QOJMLGLLEWUYOH-UHFFFAOYSA-N -1 1 286.306 3.888 20 0 CHADMM C[C@@H](c1ccsc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458292 1124085922 /nfs/dbraw/zinc/08/59/22/1124085922.db2.gz RRUBKSIYTWKETB-QMMMGPOBSA-N -1 1 290.319 3.795 20 0 CHADMM Cc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476935 1124086371 /nfs/dbraw/zinc/08/63/71/1124086371.db2.gz KDEAQHUSHSVQCM-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1cc(F)ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481830 1124086502 /nfs/dbraw/zinc/08/65/02/1124086502.db2.gz QMYUJNNPQKJPQV-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM Cc1cscc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481665 1124086712 /nfs/dbraw/zinc/08/67/12/1124086712.db2.gz NQTHTEGFYDBTQQ-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948749 1124654746 /nfs/dbraw/zinc/65/47/46/1124654746.db2.gz BFAJDAMBJPVZLY-JSGCOSHPSA-N -1 1 270.376 3.772 20 0 CHADMM COc1cnc(C=Cc2cccc(Cl)c2Cl)[n-]c1=O ZINC000821007685 1131317333 /nfs/dbraw/zinc/31/73/33/1131317333.db2.gz KAYLOBGBCDGKFJ-AATRIKPKSA-N -1 1 297.141 3.668 20 0 CHADMM Cc1nn(C)c(C)c1[N-]c1nc2cc(C)cc(C)c2o1 ZINC000450221573 1124950304 /nfs/dbraw/zinc/95/03/04/1124950304.db2.gz UFSLGEPPGUQDCD-UHFFFAOYSA-N -1 1 270.336 3.539 20 0 CHADMM CC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000530771582 1125179197 /nfs/dbraw/zinc/17/91/97/1125179197.db2.gz IAIADBFIUVLIAH-ZDUSSCGKSA-N -1 1 295.404 3.536 20 0 CHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cc(C)no1 ZINC000064493024 1125335866 /nfs/dbraw/zinc/33/58/66/1125335866.db2.gz RCGIMQFUHSIICJ-UHFFFAOYSA-N -1 1 282.752 3.611 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136511401 1131353962 /nfs/dbraw/zinc/35/39/62/1131353962.db2.gz DGHOMDMMWUDVAR-DGCLKSJQSA-N -1 1 295.810 3.531 20 0 CHADMM CC(C)=C(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000635722180 1129189597 /nfs/dbraw/zinc/18/95/97/1129189597.db2.gz UFGFKYHRKNJLDE-UHFFFAOYSA-N -1 1 253.729 3.731 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2cc[nH]c21 ZINC000088731843 1129209275 /nfs/dbraw/zinc/20/92/75/1129209275.db2.gz ZXGNZYSKTBHOSM-UHFFFAOYSA-N -1 1 286.718 3.779 20 0 CHADMM CC(C)[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000734178254 1129298137 /nfs/dbraw/zinc/29/81/37/1129298137.db2.gz NLCVJWCKCZSDOD-LBPRGKRZSA-N -1 1 295.810 3.944 20 0 CHADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc([O-])c(F)c1 ZINC000643311337 1129437823 /nfs/dbraw/zinc/43/78/23/1129437823.db2.gz GVEKKSRKJICNAQ-OAHLLOKOSA-N -1 1 291.366 3.764 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-c3cccs3)nn2)c(F)c1 ZINC001241119050 1129457371 /nfs/dbraw/zinc/45/73/71/1129457371.db2.gz WIJUEBQQQJEXMY-UHFFFAOYSA-N -1 1 290.294 3.856 20 0 CHADMM O=C1c2ccc(O)cc2C/C1=C\c1ccc([O-])c(Cl)c1 ZINC000187225135 1129478394 /nfs/dbraw/zinc/47/83/94/1129478394.db2.gz JPGAUYOWJJASJV-VZUCSPMQSA-N -1 1 286.714 3.574 20 0 CHADMM Cc1nc2ccccc2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291665 1129508629 /nfs/dbraw/zinc/50/86/29/1129508629.db2.gz PXTQIHKKTVDXAV-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCCCC1 ZINC000743547174 1129530125 /nfs/dbraw/zinc/53/01/25/1129530125.db2.gz PUNHOKWPGVRSQV-SNVBAGLBSA-N -1 1 281.783 3.744 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2ccccc2)C1 ZINC000647072358 1129549823 /nfs/dbraw/zinc/54/98/23/1129549823.db2.gz FHYRKQDSNSQOSU-HNNXBMFYSA-N -1 1 299.345 3.551 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1CCC(C(C)(C)C)CC1 ZINC000647816366 1129585371 /nfs/dbraw/zinc/58/53/71/1129585371.db2.gz GUSCZCBJJXMROD-UHFFFAOYSA-N -1 1 293.411 3.605 20 0 CHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000381108782 1129643019 /nfs/dbraw/zinc/64/30/19/1129643019.db2.gz BQYIBWYEFFRUCY-UHFFFAOYSA-N -1 1 267.737 3.668 20 0 CHADMM CN(C)c1ccnc(-c2cc(C(F)(F)F)ccc2O)c1 ZINC001242131388 1129659757 /nfs/dbraw/zinc/65/97/57/1129659757.db2.gz JBCNQSVCUXOGHW-UHFFFAOYSA-N -1 1 282.265 3.539 20 0 CHADMM CCOc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158300 1129663563 /nfs/dbraw/zinc/66/35/63/1129663563.db2.gz XKGSNLZGAQICNJ-UHFFFAOYSA-N -1 1 283.249 3.872 20 0 CHADMM [O-]c1cc(F)ccc1-c1cc2cccnc2cc1F ZINC001242218102 1129687155 /nfs/dbraw/zinc/68/71/55/1129687155.db2.gz RVPGMIRGMFSYJA-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM CC/C(C)=C/C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000828688332 1131396189 /nfs/dbraw/zinc/39/61/89/1131396189.db2.gz UHTDCYDCEPCNCO-BQYQJAHWSA-N -1 1 298.180 3.758 20 0 CHADMM CCCCCC[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766776225 1129744293 /nfs/dbraw/zinc/74/42/93/1129744293.db2.gz PYYPVYDQZSRQOQ-JTQLQIEISA-N -1 1 269.307 3.593 20 0 CHADMM Nc1cc2cn(-c3ccc(Cl)c([O-])c3)nc2cc1Cl ZINC001212593615 1129749706 /nfs/dbraw/zinc/74/97/06/1129749706.db2.gz ANIGGGODQYNEQV-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM Nc1cccc2c(Cl)nn(-c3ccc(Cl)c([O-])c3)c21 ZINC001212594889 1129756843 /nfs/dbraw/zinc/75/68/43/1129756843.db2.gz BHUSGFSSEXTLHK-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM CCN(Cc1csc(C(=O)[O-])c1)Cc1cccc(F)c1 ZINC000652379848 1129764433 /nfs/dbraw/zinc/76/44/33/1129764433.db2.gz PUOSVMSSKJLORL-UHFFFAOYSA-N -1 1 293.363 3.608 20 0 CHADMM Cc1csc2cnc(-c3cccc(C)c3[O-])nc12 ZINC001242344080 1129785066 /nfs/dbraw/zinc/78/50/66/1129785066.db2.gz AMHSWWCYRAQFLG-UHFFFAOYSA-N -1 1 256.330 3.681 20 0 CHADMM CC1(C)CNc2cc(-c3cccc(Cl)c3[O-])cnc21 ZINC001242368190 1129799516 /nfs/dbraw/zinc/79/95/16/1129799516.db2.gz VWMSVUNOMFJDAK-UHFFFAOYSA-N -1 1 274.751 3.811 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)c(OC)c1 ZINC000381430975 1129839659 /nfs/dbraw/zinc/83/96/59/1129839659.db2.gz URSHIFIYJUMOFG-UHFFFAOYSA-N -1 1 293.750 3.675 20 0 CHADMM C/C(=C\C(=O)Nc1ccc(F)cc1[O-])c1cccc(F)c1 ZINC000768259849 1129848683 /nfs/dbraw/zinc/84/86/83/1129848683.db2.gz VZLSWPVWBPTOTJ-JXMROGBWSA-N -1 1 289.281 3.712 20 0 CHADMM CC(C)CN(CC(C)(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000768272299 1129848828 /nfs/dbraw/zinc/84/88/28/1129848828.db2.gz PNTUWGVWYJVISZ-UHFFFAOYSA-N -1 1 281.371 3.676 20 0 CHADMM CCc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cc1 ZINC001239588736 1131402511 /nfs/dbraw/zinc/40/25/11/1131402511.db2.gz OMDLBFJOFXHFBH-UHFFFAOYSA-N -1 1 280.327 3.579 20 0 CHADMM CCc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cc1 ZINC001239588736 1131402512 /nfs/dbraw/zinc/40/25/12/1131402512.db2.gz OMDLBFJOFXHFBH-UHFFFAOYSA-N -1 1 280.327 3.579 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N(C1CC1)C1CCCCC1 ZINC000769722273 1129922013 /nfs/dbraw/zinc/92/20/13/1129922013.db2.gz KYIDYWDTVIIMGI-UHFFFAOYSA-N -1 1 293.794 3.983 20 0 CHADMM CCCCCCOCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771222289 1129975126 /nfs/dbraw/zinc/97/51/26/1129975126.db2.gz HGIRYHXOUGKPCV-UHFFFAOYSA-N -1 1 294.326 3.678 20 0 CHADMM CCC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000902071292 1129977234 /nfs/dbraw/zinc/97/72/34/1129977234.db2.gz CXGTXVFOFJNHHI-INIZCTEOSA-N -1 1 287.359 3.917 20 0 CHADMM CCc1oc(CN[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000902097658 1129979260 /nfs/dbraw/zinc/97/92/60/1129979260.db2.gz 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Cc1cc(-c2c(F)ccc(C)c2[O-])nc2[nH]ccc21 ZINC001236389448 1130925322 /nfs/dbraw/zinc/92/53/22/1130925322.db2.gz FMCAOCZHBVMQAW-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2nnc(C)c3ccccc32)c1[O-] ZINC001236390365 1130925347 /nfs/dbraw/zinc/92/53/47/1130925347.db2.gz JIARKNKVVHYGPT-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM CSCc1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236394684 1130926712 /nfs/dbraw/zinc/92/67/12/1130926712.db2.gz ZRTAGPXGGLTPAZ-UHFFFAOYSA-N -1 1 263.337 3.765 20 0 CHADMM Cc1ccc(F)c(-c2ccnc(Cc3ccccc3)n2)c1[O-] ZINC001236393182 1130926743 /nfs/dbraw/zinc/92/67/43/1130926743.db2.gz UABMFSGINZVZEW-UHFFFAOYSA-N -1 1 294.329 3.888 20 0 CHADMM CCCCc1cc(-c2c(F)ccc(C)c2[O-])ncn1 ZINC001236391600 1130926893 /nfs/dbraw/zinc/92/68/93/1130926893.db2.gz LQXYZTPGKZERSX-UHFFFAOYSA-N -1 1 260.312 3.639 20 0 CHADMM Cc1csc2ncnc(-c3c(F)ccc(C)c3[O-])c12 ZINC001236391382 1130927091 /nfs/dbraw/zinc/92/70/91/1130927091.db2.gz MPJKPPYYANLMJQ-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM 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3.669 20 0 CHADMM O=C(N[C@@H]1CC12CCC2)c1cccc(-c2ccccc2)c1[O-] ZINC001148871594 1131875346 /nfs/dbraw/zinc/87/53/46/1131875346.db2.gz ADIZWXQGCYYRFN-MRXNPFEDSA-N -1 1 293.366 3.732 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@H]1C ZINC001228556769 1131908365 /nfs/dbraw/zinc/90/83/65/1131908365.db2.gz RECNSQKUHDKPQU-YGRLFVJLSA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)[C@@H](C)CC ZINC001228553852 1131908430 /nfs/dbraw/zinc/90/84/30/1131908430.db2.gz DXPXLQUZHVLUDW-UWVGGRQHSA-N -1 1 266.337 3.504 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC[C@H](C)C1 ZINC001228553422 1131909317 /nfs/dbraw/zinc/90/93/17/1131909317.db2.gz CAWNXAJHZQKGIN-JQWIXIFHSA-N -1 1 278.348 3.648 20 0 CHADMM CN(Cc1ccc(F)cc1F)Cc1ccc([O-])c(F)c1F ZINC001140893692 1131958633 /nfs/dbraw/zinc/95/86/33/1131958633.db2.gz YUTIWZGSOQZHCI-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM CC(C)C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229133726 1132024281 /nfs/dbraw/zinc/02/42/81/1132024281.db2.gz ATOHSAXSAKKONO-AWEZNQCLSA-N -1 1 290.359 3.948 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC001141248474 1132059751 /nfs/dbraw/zinc/05/97/51/1132059751.db2.gz QEVJIKYMPXBBNA-HNNXBMFYSA-N -1 1 285.318 3.509 20 0 CHADMM [O-]c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)c(Cl)cc1Cl ZINC001229410641 1132060159 /nfs/dbraw/zinc/06/01/59/1132060159.db2.gz LHDODTZUCCIMPV-RNLVFQAGSA-N -1 1 259.132 3.876 20 0 CHADMM CCOC[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411165 1132060689 /nfs/dbraw/zinc/06/06/89/1132060689.db2.gz PLGYOMQJBZZBES-ZETCQYMHSA-N -1 1 265.136 3.503 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1COCc2ccccc21 ZINC001229474962 1132072473 /nfs/dbraw/zinc/07/24/73/1132072473.db2.gz NTBHXEFPBNMMHX-GOSISDBHSA-N -1 1 298.338 3.635 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1ccc(C)nc1 ZINC001229475220 1132072952 /nfs/dbraw/zinc/07/29/52/1132072952.db2.gz RDKWWBVLXMNVHX-GFCCVEGCSA-N -1 1 285.343 3.828 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCOc2ccccc21 ZINC001229474383 1132073076 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C[C@@H]1C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CCO1 ZINC001227644742 1135852605 /nfs/dbraw/zinc/85/26/05/1135852605.db2.gz CYGRTSJWFLYFAS-SFYZADRCSA-N -1 1 277.147 3.645 20 0 CHADMM CC[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227387131 1135828610 /nfs/dbraw/zinc/82/86/10/1135828610.db2.gz UFEBXGCWAAKQJE-LLVKDONJSA-N -1 1 282.315 3.574 20 0 CHADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCc2ccc(Cl)cc21 ZINC001227385508 1135828811 /nfs/dbraw/zinc/82/88/11/1135828811.db2.gz ITBVNUKUEIIKPQ-LLVKDONJSA-N -1 1 296.754 3.624 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1F ZINC000007405757 170283214 /nfs/dbraw/zinc/28/32/14/170283214.db2.gz KGQUUFXSHWHYCA-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM [O-]c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1Cl ZINC000035412325 172184218 /nfs/dbraw/zinc/18/42/18/172184218.db2.gz YMPFSRXLYUZGNN-UHFFFAOYSA-N -1 1 280.661 3.867 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(C(F)F)c1 ZINC000334934283 225368569 /nfs/dbraw/zinc/36/85/69/225368569.db2.gz YKOUBKZEOAIACW-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCCCS2)no1 ZINC000128825431 260378732 /nfs/dbraw/zinc/37/87/32/260378732.db2.gz MNMKPQBWMSZVKK-NSHDSACASA-N -1 1 280.324 3.540 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000176090040 261265147 /nfs/dbraw/zinc/26/51/47/261265147.db2.gz CYSFNDHQSGJTCL-GASCZTMLSA-N -1 1 295.382 3.808 20 0 CHADMM CC(F)(F)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000390300552 262174867 /nfs/dbraw/zinc/17/48/67/262174867.db2.gz NTZFPJASKVPGCI-UHFFFAOYSA-N -1 1 293.313 3.711 20 0 CHADMM Cc1coc2ccc(NC(=O)c3ccc([O-])cc3F)cc12 ZINC000185790957 262308577 /nfs/dbraw/zinc/30/85/77/262308577.db2.gz SEGFPZSXJOFESX-UHFFFAOYSA-N -1 1 285.274 3.838 20 0 CHADMM CCc1ccc(-c2ccc(CN3CCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000414688901 263032238 /nfs/dbraw/zinc/03/22/38/263032238.db2.gz YXHIWGFXDJCEID-MRXNPFEDSA-N -1 1 299.370 3.558 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000112333480 327861068 /nfs/dbraw/zinc/86/10/68/327861068.db2.gz WAHRXNRNCFNNID-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000531581238 328016364 /nfs/dbraw/zinc/01/63/64/328016364.db2.gz YZHKQRZETKJJCU-NEPJUHHUSA-N -1 1 299.374 3.547 20 0 CHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000563473484 328068604 /nfs/dbraw/zinc/06/86/04/328068604.db2.gz KPVLLUQKFJFHCO-ZZXKWVIFSA-N -1 1 287.384 3.829 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccccc2)c([O-])c1 ZINC000048517698 328309556 /nfs/dbraw/zinc/30/95/56/328309556.db2.gz ZTEDYBKDRMPWJX-UHFFFAOYSA-N -1 1 255.317 3.768 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000049524878 328368790 /nfs/dbraw/zinc/36/87/90/328368790.db2.gz AJGRTYXHLLHQKH-UHFFFAOYSA-N -1 1 289.400 3.919 20 0 CHADMM O=C(CCc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000532012365 328389343 /nfs/dbraw/zinc/38/93/43/328389343.db2.gz NVQNZKKPYNOHHP-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM CC(C)(C)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000050348913 328398087 /nfs/dbraw/zinc/39/80/87/328398087.db2.gz LUQYYJFIXSAXKH-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc(F)c(F)c1 ZINC000532267152 328712233 /nfs/dbraw/zinc/71/22/33/328712233.db2.gz FKVBXAJQSTVUMX-MRVPVSSYSA-N -1 1 295.260 3.552 20 0 CHADMM O=C(NCCc1ccsc1)c1ccc2ccccc2c1[O-] ZINC000042373213 328767160 /nfs/dbraw/zinc/76/71/60/328767160.db2.gz UVQVQGJXJLJULB-UHFFFAOYSA-N -1 1 297.379 3.579 20 0 CHADMM Cc1cnc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000358656907 328889632 /nfs/dbraw/zinc/88/96/32/328889632.db2.gz ZJDNHUXMEITLDA-KRWDZBQOSA-N -1 1 298.386 3.565 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(C1)CCCC2 ZINC000368426972 328938537 /nfs/dbraw/zinc/93/85/37/328938537.db2.gz ZFCMLXXCBUMCTC-UHFFFAOYSA-N -1 1 281.355 3.562 20 0 CHADMM COC(=O)c1c[n-]c(SCc2ccc3ccccc3c2)n1 ZINC000193543619 329058643 /nfs/dbraw/zinc/05/86/43/329058643.db2.gz LSHIWKNTLBFOIQ-UHFFFAOYSA-N -1 1 298.367 3.642 20 0 CHADMM CCOc1ccccc1C[N@@H+](C)Cc1cc(O)cc(F)c1 ZINC000186179516 329339029 /nfs/dbraw/zinc/33/90/29/329339029.db2.gz HHCSWIUBCHDADS-UHFFFAOYSA-N -1 1 289.350 3.562 20 0 CHADMM CN(C)c1ccccc1NCc1cccc([O-])c1Cl ZINC000393270537 329691707 /nfs/dbraw/zinc/69/17/07/329691707.db2.gz CGVGVYRMOTZBHY-UHFFFAOYSA-N -1 1 276.767 3.724 20 0 CHADMM C[C@@H](CC(F)(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000420494515 329769117 /nfs/dbraw/zinc/76/91/17/329769117.db2.gz RTDCLDHSGNBPIK-LURJTMIESA-N -1 1 290.216 3.637 20 0 CHADMM Cc1ccsc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000025678425 329915665 /nfs/dbraw/zinc/91/56/65/329915665.db2.gz JNKMCVUAGOQWKS-UHFFFAOYSA-N -1 1 297.379 3.845 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](F)C3)n2)c(F)c1 ZINC000424362943 330347460 /nfs/dbraw/zinc/34/74/60/330347460.db2.gz YHFUKBGVYJIERP-IUCAKERBSA-N -1 1 280.274 3.577 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc[nH]3)n2)c(Cl)c1 ZINC000445445810 330358978 /nfs/dbraw/zinc/35/89/78/330358978.db2.gz BMTRARPPLFDOTK-ZZXKWVIFSA-N -1 1 287.706 3.594 20 0 CHADMM [O-]c1ccc(-c2noc(CCC3CCC3)n2)c(Cl)c1 ZINC000445447194 330362372 /nfs/dbraw/zinc/36/23/72/330362372.db2.gz GXVSZUUIIDSBGM-UHFFFAOYSA-N -1 1 278.739 3.828 20 0 CHADMM CC(C)CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445446946 330363025 /nfs/dbraw/zinc/36/30/25/330363025.db2.gz QKMVXQCHPMVMRE-UHFFFAOYSA-N -1 1 266.728 3.684 20 0 CHADMM [O-]c1ccc(-c2noc(CC3CCCC3)n2)c(Cl)c1 ZINC000445449359 330375801 /nfs/dbraw/zinc/37/58/01/330375801.db2.gz ODXHHHQHNVXOBC-UHFFFAOYSA-N -1 1 278.739 3.828 20 0 CHADMM C[C@H]1CCN(C(=O)c2ccccc2[O-])c2ccccc2S1 ZINC000537642859 330452651 /nfs/dbraw/zinc/45/26/51/330452651.db2.gz ATELGTRKGMASIE-LBPRGKRZSA-N -1 1 299.395 3.923 20 0 CHADMM O=C([O-])C[C@H](NCc1ccccc1Cl)c1ccsc1 ZINC000426694592 330513989 /nfs/dbraw/zinc/51/39/89/330513989.db2.gz DLXJDGOPXBSGSA-ZDUSSCGKSA-N -1 1 295.791 3.707 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000436474364 330678241 /nfs/dbraw/zinc/67/82/41/330678241.db2.gz CLZZYVMJJCGSJK-UHFFFAOYSA-N -1 1 291.347 3.578 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000436478620 330678360 /nfs/dbraw/zinc/67/83/60/330678360.db2.gz NBCGZKCPBWZLEP-UHFFFAOYSA-N -1 1 291.347 3.578 20 0 CHADMM C[C@@H](c1ccccc1)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000436646690 330682133 /nfs/dbraw/zinc/68/21/33/330682133.db2.gz ISIJDXHAEYDYSJ-LBPRGKRZSA-N -1 1 299.345 3.897 20 0 CHADMM CCN(C(=O)c1ccc([O-])cc1F)c1ccc2[nH]ccc2c1 ZINC000436887917 330687729 /nfs/dbraw/zinc/68/77/29/330687729.db2.gz ROWYQJQPHLEAKI-UHFFFAOYSA-N -1 1 298.317 3.679 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1F ZINC000445484673 330829681 /nfs/dbraw/zinc/82/96/81/330829681.db2.gz YFBMMTRKYSWBIO-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM O=c1cc(C2CC2)nc(SC[C@H]2CCCC2(F)F)[n-]1 ZINC000450908731 331006443 /nfs/dbraw/zinc/00/64/43/331006443.db2.gz MSBQPASXBFMXQH-SECBINFHSA-N -1 1 286.347 3.587 20 0 CHADMM COc1ccc(C(=O)Nc2cccc(C(F)F)c2)c([O-])c1 ZINC000195427414 331173148 /nfs/dbraw/zinc/17/31/48/331173148.db2.gz WVCWGPMQVMIWMT-UHFFFAOYSA-N -1 1 293.269 3.591 20 0 CHADMM CC(C)COc1ccccc1NC(=O)c1ccccc1[O-] ZINC000195702835 331180920 /nfs/dbraw/zinc/18/09/20/331180920.db2.gz XLGBPBXBFPMNOP-UHFFFAOYSA-N -1 1 285.343 3.679 20 0 CHADMM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456785585 331203939 /nfs/dbraw/zinc/20/39/39/331203939.db2.gz NNOIDGCRNOMMPM-VHSXEESVSA-N -1 1 283.318 3.825 20 0 CHADMM CC[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456789146 331203987 /nfs/dbraw/zinc/20/39/87/331203987.db2.gz SUJUYZOCIGIDDJ-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM CCC[C@@H](C(=O)Nc1ccc(F)cc1[O-])C(C)C ZINC000493946833 332458926 /nfs/dbraw/zinc/45/89/26/332458926.db2.gz MDUUSGFSRPQXDG-LLVKDONJSA-N -1 1 253.317 3.542 20 0 CHADMM CC[C@H](C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000552115894 334290819 /nfs/dbraw/zinc/29/08/19/334290819.db2.gz SAYHUQPVLGBVGA-VIFPVBQESA-N -1 1 255.745 3.810 20 0 CHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000154132137 334688996 /nfs/dbraw/zinc/68/89/96/334688996.db2.gz DVUJAMZBRSSBQV-UHFFFAOYSA-N -1 1 296.248 3.530 20 0 CHADMM CC(C)C[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184516537 333129567 /nfs/dbraw/zinc/12/95/67/333129567.db2.gz MLSVYLXOGCPDNY-SECBINFHSA-N -1 1 255.745 3.666 20 0 CHADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184678775 333131382 /nfs/dbraw/zinc/13/13/82/333131382.db2.gz SKDQFGOJFRBWIL-VHSXEESVSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])sc2C)s1 ZINC000575874991 335127175 /nfs/dbraw/zinc/12/71/75/335127175.db2.gz OVVOQSHFIOQTQH-UHFFFAOYSA-N -1 1 295.429 3.757 20 0 CHADMM CC(C)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000226426809 333260612 /nfs/dbraw/zinc/26/06/12/333260612.db2.gz VFDDKFBHSVMPQI-UHFFFAOYSA-N -1 1 287.334 3.582 20 0 CHADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000229426254 333304913 /nfs/dbraw/zinc/30/49/13/333304913.db2.gz PVYOVJAJBAAWPD-OUAUKWLOSA-N -1 1 281.783 3.552 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccccc3Cl)no2)c(F)c1 ZINC000230225944 333315896 /nfs/dbraw/zinc/31/58/96/333315896.db2.gz VKNIILPGRCBRRS-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1F ZINC000230225698 333315936 /nfs/dbraw/zinc/31/59/36/333315936.db2.gz OLHULUOZCJEOQJ-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@H](CC(F)(F)F)NC(=O)c1ccc2ccccc2c1[O-] ZINC000231754246 333329300 /nfs/dbraw/zinc/32/93/00/333329300.db2.gz KVYHEXFLDUSEOQ-SECBINFHSA-N -1 1 297.276 3.616 20 0 CHADMM CCC(C)(C)[N@@H+](C)Cc1cccc(O)c1Br ZINC000315732841 333383504 /nfs/dbraw/zinc/38/35/04/333383504.db2.gz WRYBEEBPRXHEED-UHFFFAOYSA-N -1 1 286.213 3.775 20 0 CHADMM [O-]c1c(-c2nc(-c3cccnc3)no2)ccc2ccccc21 ZINC000316111079 333385479 /nfs/dbraw/zinc/38/54/79/333385479.db2.gz SUWFYVGXSJEKPH-UHFFFAOYSA-N -1 1 289.294 3.657 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(F)c1Cl ZINC000575982630 335137812 /nfs/dbraw/zinc/13/78/12/335137812.db2.gz SJMMEAMBHLXJOH-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(F)cc1[O-] ZINC000541721856 333788060 /nfs/dbraw/zinc/78/80/60/333788060.db2.gz LRRILJMHSZSQDN-SNVBAGLBSA-N -1 1 267.344 3.932 20 0 CHADMM COc1cc(C(=O)Nc2cscc2C)cc(Cl)c1[O-] ZINC000135215232 334119792 /nfs/dbraw/zinc/11/97/92/334119792.db2.gz BVDVTAYAWIQSOC-UHFFFAOYSA-N -1 1 297.763 3.676 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]2CCCC[C@@H]12 ZINC000248386223 334299804 /nfs/dbraw/zinc/29/98/04/334299804.db2.gz LSBRUDOEAOCNSY-OSMZGAPFSA-N -1 1 293.794 3.696 20 0 CHADMM CC1(C)CCCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000567556748 334732796 /nfs/dbraw/zinc/73/27/96/334732796.db2.gz UUPNVYRRZAGTOQ-LLVKDONJSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1oc([C@@H](C)N(C)Cc2cccs2)cc1C(=O)[O-] ZINC000581255909 336033101 /nfs/dbraw/zinc/03/31/01/336033101.db2.gz JSESUDAHBWCPKY-SECBINFHSA-N -1 1 279.361 3.541 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(CC2CCCCC2)no1 ZINC000381985267 336079574 /nfs/dbraw/zinc/07/95/74/336079574.db2.gz FRJIDLBJFDVTRO-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM CSc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1F ZINC000347536082 534141419 /nfs/dbraw/zinc/14/14/19/534141419.db2.gz FVPFGQKTIPZWOU-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM Cc1c(=O)[n-]c(SCCC(C)C)nc1-c1ccccc1 ZINC000016853158 518185753 /nfs/dbraw/zinc/18/57/53/518185753.db2.gz RDEVRIKTEYMINX-UHFFFAOYSA-N -1 1 288.416 3.884 20 0 CHADMM CC(C)(C)SCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204454 518904813 /nfs/dbraw/zinc/90/48/13/518904813.db2.gz RKBYFAMSCBLMBZ-UHFFFAOYSA-N -1 1 273.785 3.516 20 0 CHADMM CC(C)Cn1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000339328943 519515538 /nfs/dbraw/zinc/51/55/38/519515538.db2.gz USQPOLRCQDGHAK-UHFFFAOYSA-N -1 1 279.771 3.510 20 0 CHADMM CCCN(CCCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000262173611 521651556 /nfs/dbraw/zinc/65/15/56/521651556.db2.gz CVNWPPIDDVZBGE-UHFFFAOYSA-N -1 1 287.762 3.556 20 0 CHADMM CC(C)c1scnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336100209 528523092 /nfs/dbraw/zinc/52/30/92/528523092.db2.gz JBSWETPJOAXSBD-UHFFFAOYSA-N -1 1 296.779 3.878 20 0 CHADMM O=C([O-])CC[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417604428 599982264 /nfs/dbraw/zinc/98/22/64/599982264.db2.gz UPWFSJVCORVURH-ZDUSSCGKSA-N -1 1 293.750 3.629 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1ccco1 ZINC000738964778 600217023 /nfs/dbraw/zinc/21/70/23/600217023.db2.gz WUCIWDVKUTVROF-CYBMUJFWSA-N -1 1 289.331 3.606 20 0 CHADMM Cc1oc(CN(C)Cc2c(C)cccc2C)cc1C(=O)[O-] ZINC000582186492 600429036 /nfs/dbraw/zinc/42/90/36/600429036.db2.gz DEADLPUZSBWZEV-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM O=C([O-])c1ccc(CNc2ccnc3cc(F)ccc32)cc1 ZINC000740134223 600638101 /nfs/dbraw/zinc/63/81/01/600638101.db2.gz PTLUHKKVKDCIBL-UHFFFAOYSA-N -1 1 296.301 3.684 20 0 CHADMM Cc1ccc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000738582643 600968805 /nfs/dbraw/zinc/96/88/05/600968805.db2.gz MAYONAZMXAPTTI-ZDUSSCGKSA-N -1 1 289.331 3.606 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC000830362487 601423159 /nfs/dbraw/zinc/42/31/59/601423159.db2.gz ALVPVLUREARNMP-PXAZEXFGSA-N -1 1 299.370 3.733 20 0 CHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000234025560 605086340 /nfs/dbraw/zinc/08/63/40/605086340.db2.gz QOFZCEWBKCNYKM-HNNXBMFYSA-N -1 1 273.332 3.527 20 0 CHADMM C[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000383584764 605829049 /nfs/dbraw/zinc/82/90/49/605829049.db2.gz NPDQHPFREJVOIR-GFCCVEGCSA-N -1 1 287.334 3.717 20 0 CHADMM CCN(Cc1cccs1)Cc1cc(C(=O)[O-])ccc1F ZINC000062755107 957609704 /nfs/dbraw/zinc/60/97/04/957609704.db2.gz COAFOCOFXMKRFM-UHFFFAOYSA-N -1 1 293.363 3.608 20 0 CHADMM CC[C@H](C)c1cc(C(=O)[N-]c2c(F)cccc2F)on1 ZINC000128857857 1125468829 /nfs/dbraw/zinc/46/88/29/1125468829.db2.gz RPWSFZGGXQRWSG-QMMMGPOBSA-N -1 1 280.274 3.719 20 0 CHADMM C[C@H]1C[C@H]1c1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873597 963945109 /nfs/dbraw/zinc/94/51/09/963945109.db2.gz AOXDTZASGBKNLK-BLLLJJGKSA-N -1 1 299.370 3.733 20 0 CHADMM C[C@H](c1cccc(F)c1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000317491067 970364343 /nfs/dbraw/zinc/36/43/43/970364343.db2.gz DYXIDZAKNDCMGA-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1Cc2ccccc2C2(CC2)C1 ZINC000568064950 974657792 /nfs/dbraw/zinc/65/77/92/974657792.db2.gz VXDVVQOLBNQIAD-GFCCVEGCSA-N -1 1 297.354 3.586 20 0 CHADMM CC(C)c1ccc(CN(C)Cc2occc2C(=O)[O-])cc1 ZINC001591954220 976522920 /nfs/dbraw/zinc/52/29/20/976522920.db2.gz NQANHQNORZJCFF-UHFFFAOYSA-N -1 1 287.359 3.733 20 0 CHADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000734843516 978301433 /nfs/dbraw/zinc/30/14/33/978301433.db2.gz MSMORXVDSSKBLS-JTQLQIEISA-N -1 1 293.750 3.505 20 0 CHADMM CCCCC[C@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901723494 980465127 /nfs/dbraw/zinc/46/51/27/980465127.db2.gz YSMBSJZCZYZBRB-AAEUAGOBSA-N -1 1 290.363 3.512 20 0 CHADMM O=C([O-])[C@H](NCc1ccccc1C1CC1)c1ccccc1F ZINC000901749653 980480496 /nfs/dbraw/zinc/48/04/96/980480496.db2.gz OODIMNDHCNSGJC-QGZVFWFLSA-N -1 1 299.345 3.619 20 0 CHADMM Cc1cc(CNCc2ccc(C(F)F)cc2)oc1C(=O)[O-] ZINC000901939825 980641188 /nfs/dbraw/zinc/64/11/88/980641188.db2.gz RGXAVDSDZIWBFO-UHFFFAOYSA-N -1 1 295.285 3.514 20 0 CHADMM Cc1cc(CN[C@H](c2cccs2)C2CC2)oc1C(=O)[O-] ZINC000902084548 980725047 /nfs/dbraw/zinc/72/50/47/980725047.db2.gz NFULWKRDAHZJHM-ZDUSSCGKSA-N -1 1 291.372 3.589 20 0 CHADMM CCc1oc(CNCc2csc(C)c2C)cc1C(=O)[O-] ZINC000902264383 980808185 /nfs/dbraw/zinc/80/81/85/980808185.db2.gz WRJRGDWGUGDROX-UHFFFAOYSA-N -1 1 293.388 3.508 20 0 CHADMM CC1=CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC000902281258 980814515 /nfs/dbraw/zinc/81/45/15/980814515.db2.gz HWZJPGCHSZOGIX-UHFFFAOYSA-N -1 1 299.292 3.556 20 0 CHADMM Cc1cc(CN[C@]2(c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000902330006 980835251 /nfs/dbraw/zinc/83/52/51/980835251.db2.gz OLIKCEONRPRPPD-SFHVURJKSA-N -1 1 299.370 3.701 20 0 CHADMM CC(C)(NCc1ccc(C(=O)[O-])s1)c1ccccc1F ZINC000903690216 981014497 /nfs/dbraw/zinc/01/44/97/981014497.db2.gz UFKZCWNMOVKKIV-UHFFFAOYSA-N -1 1 293.363 3.610 20 0 CHADMM C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccoc1C(=O)[O-] ZINC001589004037 984960019 /nfs/dbraw/zinc/96/00/19/984960019.db2.gz UYTTUPNWRIQZJB-JLHYYAGUSA-N -1 1 285.343 3.513 20 0 CHADMM COc1nccc([N-]c2nc(C(C)(C)C)ns2)c1Cl ZINC001211943257 1125494171 /nfs/dbraw/zinc/49/41/71/1125494171.db2.gz GZGSEWCSIVLOHX-UHFFFAOYSA-N -1 1 298.799 3.636 20 0 CHADMM CCc1ccc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001597525987 988168276 /nfs/dbraw/zinc/16/82/76/988168276.db2.gz FKSUYDLDFGZELM-KHPPLWFESA-N -1 1 299.370 3.572 20 0 CHADMM CCc1oc(CN2Cc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC001597798271 989362703 /nfs/dbraw/zinc/36/27/03/989362703.db2.gz CILMNTAUAOHNGJ-LBPRGKRZSA-N -1 1 299.370 3.660 20 0 CHADMM CC(C)C[C@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591207621 992042537 /nfs/dbraw/zinc/04/25/37/992042537.db2.gz STJDKDMEFPPZKA-VXGBXAGGSA-N -1 1 296.436 3.660 20 0 CHADMM [O-]c1c(F)cc(Nc2ncc(F)cc2F)cc1Cl ZINC001214480438 1120240473 /nfs/dbraw/zinc/24/04/73/1120240473.db2.gz QEOVJSXHKJGCTR-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM C[C@@H](NCc1cccc(F)c1F)c1cc(C(=O)[O-])cs1 ZINC001593304575 994749000 /nfs/dbraw/zinc/74/90/00/994749000.db2.gz OSNDBOQYPVGYKK-MRVPVSSYSA-N -1 1 297.326 3.575 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593697803 996158543 /nfs/dbraw/zinc/15/85/43/996158543.db2.gz PQLNHWASUUFGMY-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C1CC1 ZINC001593942091 996962660 /nfs/dbraw/zinc/96/26/60/996962660.db2.gz CXIQPRIKOUYDRF-AWEZNQCLSA-N -1 1 293.794 3.659 20 0 CHADMM [O-]c1cc(Nc2c(F)ccc(O)c2F)c(F)cc1Cl ZINC001175269057 1121269100 /nfs/dbraw/zinc/26/91/00/1121269100.db2.gz YZBYYYJLQBIJMR-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM CCc1c(Cl)cc(NC2=CCOCC2)c([O-])c1Cl ZINC001176147869 1121551518 /nfs/dbraw/zinc/55/15/18/1121551518.db2.gz UENPABGSKWKMJS-UHFFFAOYSA-N -1 1 288.174 3.978 20 0 CHADMM CCC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000213484808 1122165999 /nfs/dbraw/zinc/16/59/99/1122165999.db2.gz VEUPVCDOPRMWGO-LBPRGKRZSA-N -1 1 281.783 3.840 20 0 CHADMM CCCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000445450349 1124082765 /nfs/dbraw/zinc/08/27/65/1124082765.db2.gz YCOLXIVSQBZWHN-UHFFFAOYSA-N -1 1 278.739 3.927 20 0 CHADMM Oc1cccc(C[N@H+](CC2CC2)C2CC2)c1Br ZINC001140552296 1131790006 /nfs/dbraw/zinc/79/00/06/1131790006.db2.gz FNMCFKCJYMLBKO-UHFFFAOYSA-N -1 1 296.208 3.529 20 0 CHADMM COc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001174209478 1132757864 /nfs/dbraw/zinc/75/78/64/1132757864.db2.gz OCJURUZHGRVFLB-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCC(C)(C)C1 ZINC001225618379 1135596652 /nfs/dbraw/zinc/59/66/52/1135596652.db2.gz CQGOJTMACNNFDB-CYBMUJFWSA-N -1 1 262.349 3.942 20 0 CHADMM O=C(NCCC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000110325017 1125627792 /nfs/dbraw/zinc/62/77/92/1125627792.db2.gz QKXGVGGYTSOOCY-UHFFFAOYSA-N -1 1 281.783 3.746 20 0 CHADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325045 1125628073 /nfs/dbraw/zinc/62/80/73/1125628073.db2.gz ZXGKKKQUOJBNKH-ZWNOBZJWSA-N -1 1 281.783 3.744 20 0 CHADMM CC(C)(C)CC(C)(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000110325313 1125628990 /nfs/dbraw/zinc/62/89/90/1125628990.db2.gz CORHLIWZEFMTSL-UHFFFAOYSA-N -1 1 283.799 3.990 20 0 CHADMM CCCC[C@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000615067298 1125733590 /nfs/dbraw/zinc/73/35/90/1125733590.db2.gz ZVOVXFXRLOGBPV-LBPRGKRZSA-N -1 1 286.375 3.591 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])c(C)c1 ZINC001202739942 1125784155 /nfs/dbraw/zinc/78/41/55/1125784155.db2.gz ISNAQIRTFLEYLD-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM [O-]c1cc(Cl)c(Nc2ccc(CCO)cc2)cc1Cl ZINC001212929608 1129403388 /nfs/dbraw/zinc/40/33/88/1129403388.db2.gz APGBCHRTZSLZHU-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000769674429 1129920887 /nfs/dbraw/zinc/92/08/87/1129920887.db2.gz NWHFCTGBQJMZOU-MNOVXSKESA-N -1 1 281.783 3.696 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001202769210 1126776230 /nfs/dbraw/zinc/77/62/30/1126776230.db2.gz ONXVQQNEEXMLMO-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CC(C)CCC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000904039337 1126823643 /nfs/dbraw/zinc/82/36/43/1126823643.db2.gz XXUHCKOAMADDRH-HNNXBMFYSA-N -1 1 289.375 3.802 20 0 CHADMM [O-]c1cc(-c2ccc(O[C@@H]3CCOC3)cc2)cc(F)c1F ZINC000904752363 1126867802 /nfs/dbraw/zinc/86/78/02/1126867802.db2.gz DCACGAPROOHBQJ-CYBMUJFWSA-N -1 1 292.281 3.505 20 0 CHADMM Cc1ncc([N-]c2cc(-c3cccs3)no2)s1 ZINC001212130301 1126926301 /nfs/dbraw/zinc/92/63/01/1126926301.db2.gz IKIZWFPVCJZHRA-UHFFFAOYSA-N -1 1 263.347 3.912 20 0 CHADMM CC1(C(=O)Nc2cccc([O-])c2Br)CCCC1 ZINC000908714532 1127013136 /nfs/dbraw/zinc/01/31/36/1127013136.db2.gz DEIVGKWHMJWNGQ-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM CC(C)(C)/C=C\C(=O)Nc1cccc([O-])c1Br ZINC000908713978 1127013142 /nfs/dbraw/zinc/01/31/42/1127013142.db2.gz XPOUBOINWNELFA-FPLPWBNLSA-N -1 1 298.180 3.696 20 0 CHADMM CCC[C@](C)(CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986219 1127042609 /nfs/dbraw/zinc/04/26/09/1127042609.db2.gz DACLWQFHLVECTO-AWEZNQCLSA-N -1 1 271.307 3.825 20 0 CHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000269664575 1127044131 /nfs/dbraw/zinc/04/41/31/1127044131.db2.gz KKHBQLHMXWXWKV-QWRGUYRKSA-N -1 1 291.347 3.643 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCCCCC1 ZINC000909977382 1127042101 /nfs/dbraw/zinc/04/21/01/1127042101.db2.gz HNLLPBMVSNKMPH-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC=CC12CCCC2 ZINC000913199628 1127124979 /nfs/dbraw/zinc/12/49/79/1127124979.db2.gz LUMWNDASARPAGF-UHFFFAOYSA-N -1 1 293.366 3.870 20 0 CHADMM COc1c(F)cccc1-c1c(F)ccc([O-])c1Cl ZINC001245831446 1131197450 /nfs/dbraw/zinc/19/74/50/1131197450.db2.gz LURJVGHLVPHJSB-UHFFFAOYSA-N -1 1 270.662 3.999 20 0 CHADMM Cc1cc(-c2nc(=O)c3c4ccccc4sc3[n-]2)no1 ZINC000358853070 1127436536 /nfs/dbraw/zinc/43/65/36/1127436536.db2.gz XVMDKJBIJRNFAH-UHFFFAOYSA-N -1 1 283.312 3.514 20 0 CHADMM Cc1ccoc1CN(C)Cc1cccc([O-])c1Cl ZINC000293884382 1127530146 /nfs/dbraw/zinc/53/01/46/1127530146.db2.gz JYOAYCWTGKWTHJ-UHFFFAOYSA-N -1 1 265.740 3.579 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc(-n2cccc2)c1 ZINC000605439360 1127736177 /nfs/dbraw/zinc/73/61/77/1127736177.db2.gz HLISMXJLUFZBIN-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)cc1Cl ZINC000605440097 1127736608 /nfs/dbraw/zinc/73/66/08/1127736608.db2.gz KHEZYQJVGWCMEC-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000605439513 1127736698 /nfs/dbraw/zinc/73/66/98/1127736698.db2.gz XDWRFYOGRKWMJG-NSHDSACASA-N -1 1 273.307 3.664 20 0 CHADMM O=C(CCCc1cccs1)Nc1c([O-])cccc1F ZINC000608366719 1127862785 /nfs/dbraw/zinc/86/27/85/1127862785.db2.gz WHQZIGUXFBNWBF-UHFFFAOYSA-N -1 1 279.336 3.554 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@H](C)CC(C)C)n1 ZINC000540809198 1127996230 /nfs/dbraw/zinc/99/62/30/1127996230.db2.gz UXQDBYKTSXCRDS-SNVBAGLBSA-N -1 1 254.399 3.519 20 0 CHADMM CCc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000173379469 1128087541 /nfs/dbraw/zinc/08/75/41/1128087541.db2.gz RXXJUOPNGMEWHR-UHFFFAOYSA-N -1 1 289.762 3.789 20 0 CHADMM O=C(/C=C\c1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000492522530 1128101847 /nfs/dbraw/zinc/10/18/47/1128101847.db2.gz PIQWKBFTBUTPQY-RJRFIUFISA-N -1 1 279.748 3.759 20 0 CHADMM [O-]c1cccc(CNCc2ccc(F)cc2F)c1Cl ZINC000328267517 1128418917 /nfs/dbraw/zinc/41/89/17/1128418917.db2.gz WHNQRJUBLOMQQJ-UHFFFAOYSA-N -1 1 283.705 3.614 20 0 CHADMM O=C(/C=C/c1cccc(Cl)c1)c1cc(O)ccc1[O-] ZINC000036450719 1128425874 /nfs/dbraw/zinc/42/58/74/1128425874.db2.gz YZHNPAKQKRXETD-GQCTYLIASA-N -1 1 274.703 3.647 20 0 CHADMM C/C=C/C=C\C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778448314 1128516275 /nfs/dbraw/zinc/51/62/75/1128516275.db2.gz SRQPKZPPAIYHAS-ICWBMWKASA-N -1 1 296.164 3.534 20 0 CHADMM COc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000070333893 1128561761 /nfs/dbraw/zinc/56/17/61/1128561761.db2.gz RRXKNZODUCUEBC-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM [O-]c1ccc(-c2noc(C(F)=C3CCCC3)n2)c(F)c1 ZINC000556321197 1128576147 /nfs/dbraw/zinc/57/61/47/1128576147.db2.gz XWTSSNIAMZCEKT-UHFFFAOYSA-N -1 1 278.258 3.836 20 0 CHADMM O=C([O-])CCCCCN(Cc1ccco1)Cc1ccco1 ZINC000570287202 1128620030 /nfs/dbraw/zinc/62/00/30/1128620030.db2.gz WXIRWXSZBRQZNZ-UHFFFAOYSA-N -1 1 291.347 3.520 20 0 CHADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1c([O-])cccc1F ZINC000622736848 1117761376 /nfs/dbraw/zinc/76/13/76/1117761376.db2.gz LZDRGDMQJXNLHN-MRXNPFEDSA-N -1 1 291.366 3.620 20 0 CHADMM Cc1oc([C@H](C)N2CCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240115 1128741885 /nfs/dbraw/zinc/74/18/85/1128741885.db2.gz BFHBVXLPMSWABF-GWCFXTLKSA-N -1 1 289.331 3.777 20 0 CHADMM CC(=O)c1csc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000182864983 1118031653 /nfs/dbraw/zinc/03/16/53/1118031653.db2.gz CIRDFTIGILDWBO-UHFFFAOYSA-N -1 1 295.747 3.562 20 0 CHADMM C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc(Cl)c1[O-] ZINC000179680849 1128754469 /nfs/dbraw/zinc/75/44/69/1128754469.db2.gz VCXJNVITAXGORR-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CC(C)Oc1ccc([N-]c2nnc(C(C)C)o2)c(F)c1 ZINC001209832588 1118096061 /nfs/dbraw/zinc/09/60/61/1118096061.db2.gz KMSMJJQDHQBIOB-UHFFFAOYSA-N -1 1 279.315 3.863 20 0 CHADMM O=C(c1ccc([O-])cn1)N1CCCCC12CCCCCC2 ZINC001648831612 1118244269 /nfs/dbraw/zinc/24/42/69/1118244269.db2.gz CKPWACXUVCOGRX-UHFFFAOYSA-N -1 1 288.391 3.506 20 0 CHADMM Cc1c2ccccc2oc1-c1nc2ccc(O)cc2c(=O)[n-]1 ZINC000351862838 1118273746 /nfs/dbraw/zinc/27/37/46/1118273746.db2.gz QZKKGTRIEBGGBG-UHFFFAOYSA-N -1 1 292.294 3.763 20 0 CHADMM O=C([O-])c1ccc2c(c1)C[N@H+](CCC1CCCCC1)C2 ZINC000394438077 1118310667 /nfs/dbraw/zinc/31/06/67/1118310667.db2.gz BRJCTXIHKXXNOE-UHFFFAOYSA-N -1 1 273.376 3.671 20 0 CHADMM CC(C)c1ccc2nc(-c3ccc(Cl)cn3)[n-]c(=O)c2c1 ZINC000086963758 1118321089 /nfs/dbraw/zinc/32/10/89/1118321089.db2.gz MCNMVWJXITVWPT-UHFFFAOYSA-N -1 1 299.761 3.762 20 0 CHADMM O=C(Nc1cccc(COCC2CC2)c1)c1ccccc1[O-] ZINC000065080051 1118331068 /nfs/dbraw/zinc/33/10/68/1118331068.db2.gz ZYRPOXQMQGGLJW-UHFFFAOYSA-N -1 1 297.354 3.571 20 0 CHADMM Cn1c2ccc(Cl)cc2nc1-c1c([O-])cccc1F ZINC000236082450 1118407063 /nfs/dbraw/zinc/40/70/63/1118407063.db2.gz HISMRKIWXFDNDS-UHFFFAOYSA-N -1 1 276.698 3.738 20 0 CHADMM O=C([N-]c1c(F)cccc1Cl)c1ocnc1C(F)F ZINC001128011535 1118407370 /nfs/dbraw/zinc/40/73/70/1118407370.db2.gz OSRUZCUKPBFVRB-UHFFFAOYSA-N -1 1 290.628 3.657 20 0 CHADMM CSc1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001211063472 1118452613 /nfs/dbraw/zinc/45/26/13/1118452613.db2.gz QLNUPKZYCJGDDH-UHFFFAOYSA-N -1 1 299.351 3.964 20 0 CHADMM CC1(C)CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000684058559 1118505794 /nfs/dbraw/zinc/50/57/94/1118505794.db2.gz YHPJOEACRKVFOI-SNVBAGLBSA-N -1 1 265.328 3.686 20 0 CHADMM CC(=O)Nc1cc(C)c(C)cc1-c1cc(F)c([O-])cc1F ZINC001211351836 1118506924 /nfs/dbraw/zinc/50/69/24/1118506924.db2.gz FNTWAXBJZKRZPK-UHFFFAOYSA-N -1 1 291.297 3.913 20 0 CHADMM O=C([O-])CCCc1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000657202939 1118922277 /nfs/dbraw/zinc/92/22/77/1118922277.db2.gz DSMZFODQAJDUMQ-UHFFFAOYSA-N -1 1 298.264 3.503 20 0 CHADMM CCc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1C ZINC000657263633 1118943085 /nfs/dbraw/zinc/94/30/85/1118943085.db2.gz MJVSPAPPPYQCMH-UHFFFAOYSA-N -1 1 294.807 3.999 20 0 CHADMM CCOCCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000866869405 1118950087 /nfs/dbraw/zinc/95/00/87/1118950087.db2.gz VCFPXCNEMFYFFV-UHFFFAOYSA-N -1 1 285.771 3.581 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])C(C)(C)c1ccccc1 ZINC000671893318 1118990526 /nfs/dbraw/zinc/99/05/26/1118990526.db2.gz NZAKYLYJJZLVEA-UHFFFAOYSA-N -1 1 287.334 3.539 20 0 CHADMM O=C(Nc1ccccc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869752 1119078664 /nfs/dbraw/zinc/07/86/64/1119078664.db2.gz ZUBRKJUZHVOCRX-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM CN(CCC1CCCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000536099405 1119393216 /nfs/dbraw/zinc/39/32/16/1119393216.db2.gz ORSALMBPLQWEQQ-UHFFFAOYSA-N -1 1 297.345 3.713 20 0 CHADMM Cc1ccc([C@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000212214777 1119586311 /nfs/dbraw/zinc/58/63/11/1119586311.db2.gz GKGNUBIBEMVREN-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM O=C(Nc1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000192235125 1119630123 /nfs/dbraw/zinc/63/01/23/1119630123.db2.gz QMGRJSDNUZUVLW-UHFFFAOYSA-N -1 1 268.725 3.751 20 0 CHADMM O=C(Cc1cccc(Cl)c1F)Nc1c([O-])cccc1F ZINC000685743135 1119749271 /nfs/dbraw/zinc/74/92/71/1119749271.db2.gz QBXWQHFLNKBVDO-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM CC1(C)CCC(C)(C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000628532778 1128869209 /nfs/dbraw/zinc/86/92/09/1128869209.db2.gz AKBTWIOFTAMXIQ-UHFFFAOYSA-N -1 1 279.355 3.572 20 0 CHADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1[O-] ZINC000173051675 1119900430 /nfs/dbraw/zinc/90/04/30/1119900430.db2.gz ZLWLGQKYCKPNKH-SUNKGSAMSA-N -1 1 293.794 3.839 20 0 CHADMM CCC[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613488137 1119940257 /nfs/dbraw/zinc/94/02/57/1119940257.db2.gz NIWGGFGNHZJTMC-AWEZNQCLSA-N -1 1 298.386 3.735 20 0 CHADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cc2ccccc2o1 ZINC000175771828 1119973049 /nfs/dbraw/zinc/97/30/49/1119973049.db2.gz ZGKQMMIGBYTYNF-ZETCQYMHSA-N -1 1 289.228 3.510 20 0 CHADMM O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc([O-])cc1F ZINC000181225519 1120102314 /nfs/dbraw/zinc/10/23/14/1120102314.db2.gz XJXHIFBCVNKJDM-KRWDZBQOSA-N -1 1 299.345 3.803 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181850789 1120109791 /nfs/dbraw/zinc/10/97/91/1120109791.db2.gz VRIQKZFHRWFJTR-JTQLQIEISA-N -1 1 291.297 3.504 20 0 CHADMM CSc1ccc([O-])c(-c2nc(C3(C)CCCC3)no2)c1 ZINC000624760648 1120167766 /nfs/dbraw/zinc/16/77/66/1120167766.db2.gz BUYJVBFXOFAYHW-UHFFFAOYSA-N -1 1 290.388 3.996 20 0 CHADMM [O-]c1cccc(CNc2ccc(Cl)nc2)c1Cl ZINC000328302944 1120170637 /nfs/dbraw/zinc/17/06/37/1120170637.db2.gz DQCTYNXQUZCBAP-UHFFFAOYSA-N -1 1 269.131 3.706 20 0 CHADMM Cc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001625892912 1120226410 /nfs/dbraw/zinc/22/64/10/1120226410.db2.gz AEZGLICJWUMGLJ-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM O=c1c2c([n-]n1Cc1ccccc1Cl)CCCCC2 ZINC000104060683 1120277142 /nfs/dbraw/zinc/27/71/42/1120277142.db2.gz NDFAWNKLNOHHQY-GFCCVEGCSA-N -1 1 276.767 3.619 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C(F)(F)c1ccccc1 ZINC000182861627 1120330539 /nfs/dbraw/zinc/33/05/39/1120330539.db2.gz XMQQGEFIJCRBGQ-UHFFFAOYSA-N -1 1 297.688 3.776 20 0 CHADMM [O-]c1cc(Nc2cc(F)cc(F)c2O)c(F)cc1Cl ZINC001212485957 1120371385 /nfs/dbraw/zinc/37/13/85/1120371385.db2.gz JDDSFLXLPNBPLG-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM CC(C)CCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000042356534 1120385964 /nfs/dbraw/zinc/38/59/64/1120385964.db2.gz WLRGLWOKAJCTEK-UHFFFAOYSA-N -1 1 271.360 3.664 20 0 CHADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2)c(OC)c1 ZINC001213119100 1120428689 /nfs/dbraw/zinc/42/86/89/1120428689.db2.gz NAXMYHXAZQKGFC-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM C[C@H](C(=O)[N-]Oc1ccc(F)cc1)[C@H](C)C(C)(C)C ZINC001641058382 1128916401 /nfs/dbraw/zinc/91/64/01/1128916401.db2.gz AJBMLZJCEPSGPZ-QWRGUYRKSA-N -1 1 267.344 3.554 20 0 CHADMM CC(C)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000019990592 1120502625 /nfs/dbraw/zinc/50/26/25/1120502625.db2.gz CVUDMYZNTCVWMV-UHFFFAOYSA-N -1 1 255.317 3.768 20 0 CHADMM Cc1cnc([C@@H](C)Sc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000631024211 1120504055 /nfs/dbraw/zinc/50/40/55/1120504055.db2.gz OYJAXYXKQRNJFI-SECBINFHSA-N -1 1 291.376 3.518 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000048652332 1120836266 /nfs/dbraw/zinc/83/62/66/1120836266.db2.gz DRRBVMTUZSGUOR-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)c1 ZINC000048652301 1120836507 /nfs/dbraw/zinc/83/65/07/1120836507.db2.gz RNEYIHSRJKPYEA-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)c1 ZINC000048652293 1120836766 /nfs/dbraw/zinc/83/67/66/1120836766.db2.gz ZNWLWZSKYOBNKH-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM Cc1ccccc1C1(NC(=O)c2ccc([O-])cc2F)CCC1 ZINC000652515633 1120874683 /nfs/dbraw/zinc/87/46/83/1120874683.db2.gz IZBFMJFOKZMGRB-UHFFFAOYSA-N -1 1 299.345 3.649 20 0 CHADMM [O-]c1ccc(Cc2nc([C@@H]3CCCS3)no2)cc1Cl ZINC000632077377 1120913646 /nfs/dbraw/zinc/91/36/46/1120913646.db2.gz PJAOEMQKHAOHGJ-NSHDSACASA-N -1 1 296.779 3.588 20 0 CHADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000111667510 1121012178 /nfs/dbraw/zinc/01/21/78/1121012178.db2.gz XYRWMTHQBZMMQN-UHFFFAOYSA-N -1 1 281.764 3.597 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3cccnc32)cc1F ZINC001174861853 1121070660 /nfs/dbraw/zinc/07/06/60/1121070660.db2.gz SUHXESUBJWYXOW-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3ncccc32)cc1F ZINC001174908877 1121089262 /nfs/dbraw/zinc/08/92/62/1121089262.db2.gz UQVNNHCRXBJAPJ-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM CCCCCN(CCCCC)C(=O)c1cncc([O-])c1 ZINC000111775710 1121099669 /nfs/dbraw/zinc/09/96/69/1121099669.db2.gz YAOVQNOEDWFJGE-UHFFFAOYSA-N -1 1 278.396 3.610 20 0 CHADMM O=c1ccoc2ccc(Nc3ccc([O-])c(F)c3F)cc12 ZINC001174946403 1121107313 /nfs/dbraw/zinc/10/73/13/1121107313.db2.gz YAXJICPYOOLMOM-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM CCOc1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001175005814 1121128783 /nfs/dbraw/zinc/12/87/83/1121128783.db2.gz FENCCRAFKODGAO-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1ccc(F)c([N-]c2noc3cccnc32)c1F ZINC001175040636 1121154947 /nfs/dbraw/zinc/15/49/47/1121154947.db2.gz PLVHSVYLSPSEBF-UHFFFAOYSA-N -1 1 291.257 3.643 20 0 CHADMM CC[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000085069769 1121174829 /nfs/dbraw/zinc/17/48/29/1121174829.db2.gz KLMFORLDALDDEU-PWSUYJOCSA-N -1 1 281.783 3.744 20 0 CHADMM CCOc1ccc(F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001175080031 1121175255 /nfs/dbraw/zinc/17/52/55/1121175255.db2.gz VJFZDNPHKHTFRA-UHFFFAOYSA-N -1 1 279.315 3.649 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(F)c(F)cc2F)cc1F ZINC001175087579 1121180025 /nfs/dbraw/zinc/18/00/25/1121180025.db2.gz WDTXVZFEXIPPQM-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM COc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1F ZINC001175120963 1121190817 /nfs/dbraw/zinc/19/08/17/1121190817.db2.gz JOYYSOIIDFTLIC-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCOc1cccc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001175225271 1121231856 /nfs/dbraw/zinc/23/18/56/1121231856.db2.gz RNXZMXYRSDPZAE-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000436701867 1121240154 /nfs/dbraw/zinc/24/01/54/1121240154.db2.gz BZIHCXYQAKVLNJ-PXAZEXFGSA-N -1 1 299.345 3.755 20 0 CHADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001175257390 1121262866 /nfs/dbraw/zinc/26/28/66/1121262866.db2.gz BRXNTAGJROGVBI-UHFFFAOYSA-N -1 1 283.306 3.769 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2ncc(Cl)cc2[O-])c1 ZINC001175270991 1121271350 /nfs/dbraw/zinc/27/13/50/1121271350.db2.gz RBKSRHBTZYQWJE-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(-n3cccn3)cc2)cc1F ZINC001175371296 1121301361 /nfs/dbraw/zinc/30/13/61/1121301361.db2.gz VBVNFYUAFUMVOK-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM Cc1nc(S[C@H](C)c2cccnc2)[n-]c(=O)c1C1CC1 ZINC000631023645 1128978787 /nfs/dbraw/zinc/97/87/87/1128978787.db2.gz COEBLRZZYORZAS-SNVBAGLBSA-N -1 1 287.388 3.616 20 0 CHADMM Cc1nc(S[C@H]2CC[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023116 1128979169 /nfs/dbraw/zinc/97/91/69/1128979169.db2.gz IHFSUAIGBZATMT-KCJUWKMLSA-N -1 1 264.394 3.649 20 0 CHADMM Cc1nc(SCCc2ccccc2)[n-]c(=O)c1C1CC1 ZINC000631023560 1128979281 /nfs/dbraw/zinc/97/92/81/1128979281.db2.gz AECWEZSPYPXFQE-UHFFFAOYSA-N -1 1 286.400 3.703 20 0 CHADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])cc2c[nH]nc21 ZINC001175521504 1121363746 /nfs/dbraw/zinc/36/37/46/1121363746.db2.gz RLBQIFILMSEAOS-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM [O-]c1cc(Cl)c(Nc2ccc(CO)cc2)cc1Cl ZINC001175567601 1121389953 /nfs/dbraw/zinc/38/99/53/1121389953.db2.gz PTZWLBKPLJKVTI-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM O=C(C[C@H]1CCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000676056267 1121400003 /nfs/dbraw/zinc/40/00/03/1121400003.db2.gz XAPORHZWPISGSF-GFCCVEGCSA-N -1 1 285.318 3.590 20 0 CHADMM [O-]c1cc(Nc2ccc3ccncc3c2)cc(F)c1F ZINC001175707698 1121450153 /nfs/dbraw/zinc/45/01/53/1121450153.db2.gz WNUOXFHFVYFBCH-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000676698253 1121455628 /nfs/dbraw/zinc/45/56/28/1121455628.db2.gz SEZIOBNRGAUXPD-NXEZZACHSA-N -1 1 291.347 3.643 20 0 CHADMM CCOc1ccc(-c2cc([N-]c3cscn3)on2)cc1 ZINC001175937417 1121488593 /nfs/dbraw/zinc/48/85/93/1121488593.db2.gz GPHFANVFQYGOLO-UHFFFAOYSA-N -1 1 287.344 3.940 20 0 CHADMM COc1cc(Nc2ccc(F)c(F)c2[O-])c(F)cc1F ZINC001176112125 1121554867 /nfs/dbraw/zinc/55/48/67/1121554867.db2.gz VAFNZNGDRXQSRP-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COCOc1ccc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001176190227 1121568226 /nfs/dbraw/zinc/56/82/26/1121568226.db2.gz DKAOXZVGGXBUPW-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM O=C(OCc1ccc(Cl)s1)c1ccc([O-])cc1F ZINC000773571641 1121614298 /nfs/dbraw/zinc/61/42/98/1121614298.db2.gz FWFXENBHSZDZCT-UHFFFAOYSA-N -1 1 286.711 3.603 20 0 CHADMM COc1cccc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670540 1121670998 /nfs/dbraw/zinc/67/09/98/1121670998.db2.gz YCWIHRLLGSNQKZ-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM O=C1CCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176669648 1121671216 /nfs/dbraw/zinc/67/12/16/1121671216.db2.gz JMUANIXULUVOEU-UHFFFAOYSA-N -1 1 293.244 3.682 20 0 CHADMM Cc1c(Cl)nccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663817 1121671550 /nfs/dbraw/zinc/67/15/50/1121671550.db2.gz JBFOWHNSESDYHZ-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM C[C@@H](O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671007 1121671788 /nfs/dbraw/zinc/67/17/88/1121671788.db2.gz QOQRJYYTJDSRFD-SSDOTTSWSA-N -1 1 283.249 3.606 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ncc(F)cc2Cl)c1F ZINC001176663830 1121672215 /nfs/dbraw/zinc/67/22/15/1121672215.db2.gz JLIGKEVXGDKVJG-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3nnsc32)c1F ZINC001176673778 1121673199 /nfs/dbraw/zinc/67/31/99/1121673199.db2.gz LKIOHFUSHYIKQA-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM C[C@H]1CCN(Cc2cccc([O-])c2Cl)CC1(F)F ZINC000513232144 1121795315 /nfs/dbraw/zinc/79/53/15/1121795315.db2.gz LZVJTWLMCZXYQB-VIFPVBQESA-N -1 1 275.726 3.523 20 0 CHADMM Cc1cnc(Cl)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960361 1121965353 /nfs/dbraw/zinc/96/53/53/1121965353.db2.gz DAZWAGLZXOUNMJ-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM CC[C@@H](CC(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420491518 1122014261 /nfs/dbraw/zinc/01/42/61/1122014261.db2.gz GMKXQGOBGLQYEK-ZETCQYMHSA-N -1 1 286.253 3.730 20 0 CHADMM C[C@@H](Cc1ccccc1Cl)C(=O)[N-]Oc1ccccc1 ZINC000774276893 1122148859 /nfs/dbraw/zinc/14/88/59/1122148859.db2.gz WBRCJENKFWQUCN-LBPRGKRZSA-N -1 1 289.762 3.629 20 0 CHADMM [O-]c1cc(F)c(Cc2ccc(F)c(F)c2)c(F)c1 ZINC001250089888 1122189235 /nfs/dbraw/zinc/18/92/35/1122189235.db2.gz AANCYPGCZRIRMH-UHFFFAOYSA-N -1 1 256.198 3.539 20 0 CHADMM Cc1nc(Cl)ccc1Nc1c([O-])cc(F)cc1F ZINC001250154111 1122286162 /nfs/dbraw/zinc/28/61/62/1122286162.db2.gz WDYOILIWBXRXEV-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1C(C)C ZINC001185384011 1122335752 /nfs/dbraw/zinc/33/57/52/1122335752.db2.gz MWWWDYXRBDWLKZ-UHFFFAOYSA-N -1 1 295.429 3.981 20 0 CHADMM O=C(NCc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC001185471959 1122342980 /nfs/dbraw/zinc/34/29/80/1122342980.db2.gz OHOKUZNTDYGIBL-UHFFFAOYSA-N -1 1 294.713 3.506 20 0 CHADMM CC(=O)Nc1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250233881 1122378881 /nfs/dbraw/zinc/37/88/81/1122378881.db2.gz YQOVFVPDPCHIMM-UHFFFAOYSA-N -1 1 294.713 3.887 20 0 CHADMM [O-]c1ccc(F)c(Nc2ccc3nccnc3c2)c1Cl ZINC001250233722 1122379291 /nfs/dbraw/zinc/37/92/91/1122379291.db2.gz CQDGIVKPNKGBFD-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM C[C@H](NC(=O)Nc1c([O-])cccc1F)C1CCCCC1 ZINC001186389751 1122388117 /nfs/dbraw/zinc/38/81/17/1122388117.db2.gz VLUGLCDJKQHCMG-JTQLQIEISA-N -1 1 280.343 3.622 20 0 CHADMM CCCc1nsc([N-]c2cnn(C3CCCC3)c2)n1 ZINC001187669733 1122437484 /nfs/dbraw/zinc/43/74/84/1122437484.db2.gz PXSDPKCGZUPMDU-UHFFFAOYSA-N -1 1 277.397 3.546 20 0 CHADMM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)C2CC2)cc1 ZINC001188654802 1122470286 /nfs/dbraw/zinc/47/02/86/1122470286.db2.gz GZKMSNRUXRTULR-UHFFFAOYSA-N -1 1 295.338 3.546 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(F)cc2F)no1 ZINC000436535250 1122557981 /nfs/dbraw/zinc/55/79/81/1122557981.db2.gz RGDOSVMDECKQMK-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N(CC1CC1)C1CCCCC1 ZINC000436566666 1122562176 /nfs/dbraw/zinc/56/21/76/1122562176.db2.gz XHDFSPJUOHIFLE-UHFFFAOYSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436559881 1122562377 /nfs/dbraw/zinc/56/23/77/1122562377.db2.gz CHHYGRBNGJREFV-MRXNPFEDSA-N -1 1 299.345 3.817 20 0 CHADMM Cc1ncsc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436589312 1122564212 /nfs/dbraw/zinc/56/42/12/1122564212.db2.gz OUJRQJJDZIBDHM-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM O=C(c1ccccc1[O-])N1CC2(CCC2)c2c1cccc2F ZINC000436675615 1122571523 /nfs/dbraw/zinc/57/15/23/1122571523.db2.gz LQIOMJMZWIRHMA-UHFFFAOYSA-N -1 1 297.329 3.613 20 0 CHADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(Cl)cc3[O-])C2)C1 ZINC000436707985 1122574222 /nfs/dbraw/zinc/57/42/22/1122574222.db2.gz VSTWSFVOOVOEQC-ZBEGNZNMSA-N -1 1 293.794 3.698 20 0 CHADMM Cc1cc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2[nH]1 ZINC000436759676 1122578398 /nfs/dbraw/zinc/57/83/98/1122578398.db2.gz DNNJLAOFJSBKCR-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM O=C(Nc1ccccc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436765744 1122581970 /nfs/dbraw/zinc/58/19/70/1122581970.db2.gz YJELSIZNONMNTB-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC12CCC2 ZINC000436825588 1122586767 /nfs/dbraw/zinc/58/67/67/1122586767.db2.gz DQYBXJZFJONKMY-AWEZNQCLSA-N -1 1 293.794 3.696 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1F)NC1CCCCCC1 ZINC001191272440 1122588000 /nfs/dbraw/zinc/58/80/00/1122588000.db2.gz FISLFGJBLBKWMM-UHFFFAOYSA-N -1 1 284.306 3.515 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000436877203 1122589728 /nfs/dbraw/zinc/58/97/28/1122589728.db2.gz FDFVVGVBKPPDTM-SNVBAGLBSA-N -1 1 284.290 3.733 20 0 CHADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccc([O-])cc1F)CCC2 ZINC000436880764 1122590908 /nfs/dbraw/zinc/59/09/08/1122590908.db2.gz LHPYQMYIWPCTQB-UHFFFAOYSA-N -1 1 299.345 3.741 20 0 CHADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436879195 1122591077 /nfs/dbraw/zinc/59/10/77/1122591077.db2.gz JJUZGLHXIOQCMY-XHDPSFHLSA-N -1 1 279.355 3.620 20 0 CHADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881228 1122591383 /nfs/dbraw/zinc/59/13/83/1122591383.db2.gz RKBGHWVFXPVRBF-KFNAQCHYSA-N -1 1 293.382 3.722 20 0 CHADMM CCc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436897680 1122593388 /nfs/dbraw/zinc/59/33/88/1122593388.db2.gz SWSPCLJUGVWJNE-UHFFFAOYSA-N -1 1 282.299 3.797 20 0 CHADMM O=C(Nc1ccccn1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001191334628 1122593774 /nfs/dbraw/zinc/59/37/74/1122593774.db2.gz ASNQRDCVKGUDHW-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM Cc1cccc(O)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436953039 1122598592 /nfs/dbraw/zinc/59/85/92/1122598592.db2.gz ZOKJZPUNNIFXLV-UHFFFAOYSA-N -1 1 285.343 3.782 20 0 CHADMM O=C(Nc1csc2ccccc12)c1ccc([O-])cc1F ZINC000436955338 1122598671 /nfs/dbraw/zinc/59/86/71/1122598671.db2.gz DSWIYFYFKNRAHE-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM CCCCCCNC(=O)Nc1cccc([O-])c1Cl ZINC001191980931 1122626814 /nfs/dbraw/zinc/62/68/14/1122626814.db2.gz ZMMJXIJZZDTIFY-UHFFFAOYSA-N -1 1 270.760 3.747 20 0 CHADMM Cc1cc(C)c(NC(=O)c2c(F)ccc([O-])c2F)cc1C ZINC001192540250 1122652290 /nfs/dbraw/zinc/65/22/90/1122652290.db2.gz SYLCUTUHDRMZJH-UHFFFAOYSA-N -1 1 291.297 3.848 20 0 CHADMM CCCCCOC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001193769768 1122719499 /nfs/dbraw/zinc/71/94/99/1122719499.db2.gz MPYAGCAMKTZWGH-UHFFFAOYSA-N -1 1 257.717 3.784 20 0 CHADMM CCCc1nc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)co1 ZINC000439007246 1122745778 /nfs/dbraw/zinc/74/57/78/1122745778.db2.gz LNOOTELLKJBDCU-UHFFFAOYSA-N -1 1 289.722 3.596 20 0 CHADMM CC(C)(C)COC(=O)Nc1c([O-])cccc1Cl ZINC001194386076 1122770748 /nfs/dbraw/zinc/77/07/48/1122770748.db2.gz AZFFZRBBQAVNTA-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM COc1ccc(-c2cccc(Cl)c2[O-])c(OC)c1 ZINC001250618718 1122845285 /nfs/dbraw/zinc/84/52/85/1122845285.db2.gz NDBAPMFVOBQNHU-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1cccc2ccc(C)cc21 ZINC001195490105 1122873086 /nfs/dbraw/zinc/87/30/86/1122873086.db2.gz DCMOLBZFSIILCM-UHFFFAOYSA-N -1 1 288.372 3.591 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2ccccc2F)c(F)c1 ZINC001195782602 1122888890 /nfs/dbraw/zinc/88/88/90/1122888890.db2.gz UOYLORKEZWHIGZ-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)s2)o1 ZINC000426763864 1122913047 /nfs/dbraw/zinc/91/30/47/1122913047.db2.gz FHDJCVVPPAZBAA-SNVBAGLBSA-N -1 1 299.779 3.609 20 0 CHADMM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ncccc1[O-] ZINC000426835359 1122919302 /nfs/dbraw/zinc/91/93/02/1122919302.db2.gz QXHQGNNPVXOJNG-KRWDZBQOSA-N -1 1 298.386 3.565 20 0 CHADMM CC(C)Oc1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001201553729 1123119669 /nfs/dbraw/zinc/11/96/69/1123119669.db2.gz WSRFAMSALCZMIW-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C1CC1 ZINC000901616162 1129100394 /nfs/dbraw/zinc/10/03/94/1129100394.db2.gz LSLKLROVRWORBW-SNVBAGLBSA-N -1 1 272.373 3.740 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])Nc1ccccc1Cl ZINC001202063033 1123171404 /nfs/dbraw/zinc/17/14/04/1123171404.db2.gz DCUQJDAAWYWNJL-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1[O-] ZINC001202185688 1123183047 /nfs/dbraw/zinc/18/30/47/1123183047.db2.gz GIYAQWNPLJHAAL-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC001202247259 1123192959 /nfs/dbraw/zinc/19/29/59/1123192959.db2.gz DZSNUQWIAIYIIQ-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001202315400 1123197777 /nfs/dbraw/zinc/19/77/77/1123197777.db2.gz CSXNWSJSQOWWDW-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001202435007 1123207514 /nfs/dbraw/zinc/20/75/14/1123207514.db2.gz XTPQYLKYUSCWEJ-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1ccc(NC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001202429554 1123209949 /nfs/dbraw/zinc/20/99/49/1123209949.db2.gz AUHGOAMKVPQJCV-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001202431453 1123210623 /nfs/dbraw/zinc/21/06/23/1123210623.db2.gz ALGUEJCEUFZBRE-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CCc1ncsc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334569846 1123261052 /nfs/dbraw/zinc/26/10/52/1123261052.db2.gz ZEVXTVNACIXOOK-UHFFFAOYSA-N -1 1 297.767 3.709 20 0 CHADMM COc1cc(-c2nc([C@H](C)C3CC3)no2)cc(Cl)c1[O-] ZINC000443226645 1123365388 /nfs/dbraw/zinc/36/53/88/1123365388.db2.gz QLEZFFJSBUVEQQ-SSDOTTSWSA-N -1 1 294.738 3.618 20 0 CHADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634599377 1129120218 /nfs/dbraw/zinc/12/02/18/1129120218.db2.gz HDXYDRRDTNPJCJ-OCCSQVGLSA-N -1 1 256.349 3.526 20 0 CHADMM C[C@@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCCC2 ZINC000634601234 1129120638 /nfs/dbraw/zinc/12/06/38/1129120638.db2.gz GKXWINAOZWUHKJ-GWCFXTLKSA-N -1 1 276.767 3.789 20 0 CHADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000885677032 1123481124 /nfs/dbraw/zinc/48/11/24/1123481124.db2.gz ZCAQOPSUBZMMHP-QMMMGPOBSA-N -1 1 285.746 3.950 20 0 CHADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccc(Cl)cc2)c1Cl ZINC001227111162 1123555004 /nfs/dbraw/zinc/55/50/04/1123555004.db2.gz IORIGYMMOOGYMY-QMMMGPOBSA-N -1 1 299.157 3.937 20 0 CHADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1CC(C)(C)C1 ZINC000395495495 1123663571 /nfs/dbraw/zinc/66/35/71/1123663571.db2.gz YECBHYJGNKSQBT-UHFFFAOYSA-N -1 1 283.371 3.806 20 0 CHADMM CCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042273567 1123782070 /nfs/dbraw/zinc/78/20/70/1123782070.db2.gz XPHLVQSVQSVIQB-UHFFFAOYSA-N -1 1 295.791 3.769 20 0 CHADMM C[C@H](NC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001202507456 1123827255 /nfs/dbraw/zinc/82/72/55/1123827255.db2.gz TVRRISFEUMEAGW-JTQLQIEISA-N -1 1 290.750 3.928 20 0 CHADMM Cc1nc(SCCCC2CC2)[n-]c(=O)c1C1CC1 ZINC000865373188 1123975826 /nfs/dbraw/zinc/97/58/26/1123975826.db2.gz JNZRITAJGONZQW-UHFFFAOYSA-N -1 1 264.394 3.650 20 0 CHADMM CC(C)=CCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302661588 1123976875 /nfs/dbraw/zinc/97/68/75/1123976875.db2.gz FDCISXXDVRYTPS-UHFFFAOYSA-N -1 1 298.390 3.629 20 0 CHADMM CCC[C@@H](C(=O)[N-]OC[C@@H](C)CC)c1ccccc1 ZINC000794872861 1124023505 /nfs/dbraw/zinc/02/35/05/1124023505.db2.gz XQBBDRPGOCBLTF-DZGCQCFKSA-N -1 1 263.381 3.664 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cc4ccccc4o3)n2)c(F)c1 ZINC000445465590 1124084086 /nfs/dbraw/zinc/08/40/86/1124084086.db2.gz QZPGIJMLFHKHID-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cc4ccccc4[nH]3)n2)c(F)c1 ZINC000445452215 1124084356 /nfs/dbraw/zinc/08/43/56/1124084356.db2.gz AYWPXDSRJFOGSZ-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM Cc1ccc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445483221 1124086791 /nfs/dbraw/zinc/08/67/91/1124086791.db2.gz SHNGOYHJPOQHJE-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM [O-]c1cccc(CN2CCc3cccc(F)c3C2)c1Cl ZINC000508597791 1124478124 /nfs/dbraw/zinc/47/81/24/1124478124.db2.gz DGASQLMACPAQII-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM Cc1cccnc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000019836780 1124747205 /nfs/dbraw/zinc/74/72/05/1124747205.db2.gz ZILUWLODMMMXEO-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccsc1 ZINC001626164620 1131300306 /nfs/dbraw/zinc/30/03/06/1131300306.db2.gz WYHWOYBXIHZVIZ-SECBINFHSA-N -1 1 295.791 3.527 20 0 CHADMM CCOc1cc(/C=C(\C)c2ncccn2)cc(Cl)c1[O-] ZINC000821017661 1131315041 /nfs/dbraw/zinc/31/50/41/1131315041.db2.gz LCKSIZWOSRHNIH-JXMROGBWSA-N -1 1 290.750 3.795 20 0 CHADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC1 ZINC000449799929 1124873184 /nfs/dbraw/zinc/87/31/84/1124873184.db2.gz BCBNJUPBMVTRAG-UHFFFAOYSA-N -1 1 299.374 3.547 20 0 CHADMM CC(=O)c1[n-]c(=N[C@H](C)c2c(F)cccc2F)sc1C ZINC000450266420 1124964645 /nfs/dbraw/zinc/96/46/45/1124964645.db2.gz QRZLQHQUQUCXOM-SSDOTTSWSA-N -1 1 296.342 3.527 20 0 CHADMM CCC(CC)[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004801 1125113749 /nfs/dbraw/zinc/11/37/49/1125113749.db2.gz GVDQGQJYMUVIGF-VIFPVBQESA-N -1 1 253.317 3.542 20 0 CHADMM CCC[C@@](C)(CC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005084 1125113419 /nfs/dbraw/zinc/11/34/19/1125113419.db2.gz ICQPGYKSCYUAFZ-CQSZACIVSA-N -1 1 253.317 3.686 20 0 CHADMM CCC[C@](C)(CC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005082 1125113539 /nfs/dbraw/zinc/11/35/39/1125113539.db2.gz ICQPGYKSCYUAFZ-AWEZNQCLSA-N -1 1 253.317 3.686 20 0 CHADMM CC(C)(CC(=O)Nc1c([O-])cccc1F)CC(F)(F)F ZINC000878866935 1125183624 /nfs/dbraw/zinc/18/36/24/1125183624.db2.gz OFFXEKQPQQSAAP-UHFFFAOYSA-N -1 1 293.260 3.839 20 0 CHADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666028480 1125255402 /nfs/dbraw/zinc/25/54/02/1125255402.db2.gz UMBACMSYMWZYAJ-WFASDCNBSA-N -1 1 298.386 3.591 20 0 CHADMM CCN(Cc1ccoc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000102285901 1125258547 /nfs/dbraw/zinc/25/85/47/1125258547.db2.gz VIDQJHPNBCZFQV-UHFFFAOYSA-N -1 1 295.338 3.801 20 0 CHADMM O=c1cccc(Nc2c(Cl)ccc([O-])c2Cl)[nH]1 ZINC001212791647 1125365850 /nfs/dbraw/zinc/36/58/50/1125365850.db2.gz XSXIAHQZBYLLJA-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM O=c1cccc(Nc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC001212791504 1125368513 /nfs/dbraw/zinc/36/85/13/1125368513.db2.gz PKGXDBJAYDSKAF-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM CCc1ccc(C(=O)Nc2nc(C(C)C)cs2)c([O-])c1 ZINC000622324297 1129248281 /nfs/dbraw/zinc/24/82/81/1129248281.db2.gz KPVTZPCULIFUSN-UHFFFAOYSA-N -1 1 290.388 3.787 20 0 CHADMM Cc1cccc([C@@H](NC(=O)c2cncc([O-])c2)C(C)(C)C)c1 ZINC000622415288 1129256493 /nfs/dbraw/zinc/25/64/93/1129256493.db2.gz ZGUXCTIKEGHJDF-MRXNPFEDSA-N -1 1 298.386 3.613 20 0 CHADMM CC(C)(CC1CCCCCC1)NC(=O)c1cncc([O-])c1 ZINC000622542604 1129264955 /nfs/dbraw/zinc/26/49/55/1129264955.db2.gz JATZXQMRKSDEPW-UHFFFAOYSA-N -1 1 290.407 3.656 20 0 CHADMM CC1CCC(C)(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001136547413 1131366734 /nfs/dbraw/zinc/36/67/34/1131366734.db2.gz VEDMKMOAULIIKO-UHFFFAOYSA-N -1 1 281.783 3.744 20 0 CHADMM [O-]c1cc(F)c(-c2ncnc3c(F)c(F)ccc32)c(F)c1 ZINC001241120295 1129457897 /nfs/dbraw/zinc/45/78/97/1129457897.db2.gz YSGDYUCZICYEII-UHFFFAOYSA-N -1 1 294.207 3.559 20 0 CHADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c([O-])cccc1Cl ZINC000743655532 1129533267 /nfs/dbraw/zinc/53/32/67/1129533267.db2.gz SXNPMTQWPBKVNO-WCQYABFASA-N -1 1 293.794 3.744 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccccc3F)cc2[n-]1 ZINC001239553932 1131382736 /nfs/dbraw/zinc/38/27/36/1131382736.db2.gz GNLVSULAIXJKDG-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccccc3F)ccc2[n-]1 ZINC001239553932 1131382737 /nfs/dbraw/zinc/38/27/37/1131382737.db2.gz GNLVSULAIXJKDG-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM Cc1[nH+]c2ccccn2c1Nc1ccc(Cl)c(O)c1 ZINC001212589379 1129718928 /nfs/dbraw/zinc/71/89/28/1129718928.db2.gz INLOMOSQKZLRRC-UHFFFAOYSA-N -1 1 273.723 3.745 20 0 CHADMM CCCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000651554775 1129742184 /nfs/dbraw/zinc/74/21/84/1129742184.db2.gz WAFBLBAMMPIULA-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM CCOc1c(F)c(F)ccc1-c1cccc(F)c1[O-] ZINC001242353415 1129793284 /nfs/dbraw/zinc/79/32/84/1129793284.db2.gz OOXHXNYCHHLFSC-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM CCc1oc(CN(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000901417931 1129922797 /nfs/dbraw/zinc/92/27/97/1129922797.db2.gz QKKJNODYGAXWQE-UHFFFAOYSA-N -1 1 299.370 3.705 20 0 CHADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c([O-])cccc1Cl ZINC000769868004 1129926557 /nfs/dbraw/zinc/92/65/57/1129926557.db2.gz CFOCGXLJSKYBLB-MDZLAQPJSA-N -1 1 293.794 3.839 20 0 CHADMM O=C(/C=C\Sc1ccccc1)Nc1c([O-])cccc1F ZINC000770861144 1129960069 /nfs/dbraw/zinc/96/00/69/1129960069.db2.gz HJTOSQRYVWPGPG-KTKRTIGZSA-N -1 1 289.331 3.776 20 0 CHADMM O=C(/C=C/c1ccccc1Cl)Nc1c([O-])cccc1F ZINC000770863588 1129960381 /nfs/dbraw/zinc/96/03/81/1129960381.db2.gz RXLHVVDTSRVRBD-CMDGGOBGSA-N -1 1 291.709 3.837 20 0 CHADMM Cc1oc(CNCc2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000902111189 1129981129 /nfs/dbraw/zinc/98/11/29/1129981129.db2.gz ZQTAACHAJJMSJF-UHFFFAOYSA-N -1 1 287.359 3.501 20 0 CHADMM CC[C@](C)(NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902334706 1130000763 /nfs/dbraw/zinc/00/07/63/1130000763.db2.gz BHUAFRBEBLFOBR-INIZCTEOSA-N -1 1 291.322 3.532 20 0 CHADMM CC(C)[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000902380082 1130004930 /nfs/dbraw/zinc/00/49/30/1130004930.db2.gz HQDLCLOPSKVURJ-OAHLLOKOSA-N -1 1 291.322 3.604 20 0 CHADMM O=C(OCc1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000785685317 1130048123 /nfs/dbraw/zinc/04/81/23/1130048123.db2.gz OEWSALDFLUXVLM-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM COC(=O)c1c(C)cc(F)cc1-c1cccc([O-])c1Cl ZINC001242802395 1130055746 /nfs/dbraw/zinc/05/57/46/1130055746.db2.gz FGRNXORXOGBJGH-UHFFFAOYSA-N -1 1 294.709 3.947 20 0 CHADMM CCc1ccccc1-c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001239743460 1130084702 /nfs/dbraw/zinc/08/47/02/1130084702.db2.gz HUDRZNFIXJFBFP-UHFFFAOYSA-N -1 1 280.327 3.579 20 0 CHADMM CCc1ccccc1-c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001239743460 1130084707 /nfs/dbraw/zinc/08/47/07/1130084707.db2.gz HUDRZNFIXJFBFP-UHFFFAOYSA-N -1 1 280.327 3.579 20 0 CHADMM C[C@H]1CSc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000677189633 1130296161 /nfs/dbraw/zinc/29/61/61/1130296161.db2.gz SAIBWDFUXJGECF-GFCCVEGCSA-N -1 1 299.395 3.781 20 0 CHADMM COc1cc2ccc(-c3cc(F)ccc3[O-])nc2cc1OC ZINC001240694273 1130421226 /nfs/dbraw/zinc/42/12/26/1130421226.db2.gz ULGVEVWGSCTJGM-UHFFFAOYSA-N -1 1 299.301 3.764 20 0 CHADMM CC(C)(C)OC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240693132 1130421325 /nfs/dbraw/zinc/42/13/25/1130421325.db2.gz COLQSECVWBXFDF-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM CSc1nc2c(c(-c3cc(F)ccc3[O-])n1)CCCC2 ZINC001240693219 1130421369 /nfs/dbraw/zinc/42/13/69/1130421369.db2.gz HNWFOZWMQNIOFI-UHFFFAOYSA-N -1 1 290.363 3.589 20 0 CHADMM COc1cccc2nc(-c3cc(F)ccc3[O-])ccc21 ZINC001240693839 1130421504 /nfs/dbraw/zinc/42/15/04/1130421504.db2.gz JGEZPCWVTDWGIJ-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM Cc1nc(C(F)(F)F)nc(-c2cc(F)ccc2[O-])c1C ZINC001240694062 1130421686 /nfs/dbraw/zinc/42/16/86/1130421686.db2.gz OGGYHZNUHUBOJW-UHFFFAOYSA-N -1 1 286.228 3.624 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc2cccc(F)c2n1 ZINC001240694077 1130421690 /nfs/dbraw/zinc/42/16/90/1130421690.db2.gz PAWKFTRDDRXLQP-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncnc2sc3c(c21)CCC3 ZINC001240695726 1130422223 /nfs/dbraw/zinc/42/22/23/1130422223.db2.gz OWBXEUGRQRIOCY-UHFFFAOYSA-N -1 1 286.331 3.692 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc2ccc(F)cc21 ZINC001240694508 1130422307 /nfs/dbraw/zinc/42/23/07/1130422307.db2.gz VZXXFRXPUOXAFA-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1nc(C(C)(C)C)nc(-c2cc(F)ccc2[O-])c1C ZINC001240695584 1130422507 /nfs/dbraw/zinc/42/25/07/1130422507.db2.gz NCRRGMILKISLST-UHFFFAOYSA-N -1 1 274.339 3.903 20 0 CHADMM Cc1nc(-c2cccnc2)nc(-c2cc(F)ccc2[O-])c1C ZINC001240695137 1130422736 /nfs/dbraw/zinc/42/27/36/1130422736.db2.gz BUJMRGDFADRSDM-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM Cc1csc2nc(C)nc(-c3cc(F)ccc3[O-])c12 ZINC001240695249 1130422946 /nfs/dbraw/zinc/42/29/46/1130422946.db2.gz FWLIYTVWGBRLGU-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(-c2ccncc2)n1 ZINC001240698815 1130424149 /nfs/dbraw/zinc/42/41/49/1130424149.db2.gz VKJQFDYTGMNGQD-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM COC(=O)c1cc2ccccc2nc1-c1ccc([O-])c(F)c1 ZINC001240781632 1130467429 /nfs/dbraw/zinc/46/74/29/1130467429.db2.gz CQVXLGXQSUVCBQ-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM [O-]c1ccc(-c2cncc(-c3ccccc3)n2)cc1F ZINC001240783492 1130468517 /nfs/dbraw/zinc/46/85/17/1130468517.db2.gz SMPDPFKMQKGGEM-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM Cc1nc2ccsc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783330 1130468661 /nfs/dbraw/zinc/46/86/61/1130468661.db2.gz LAVKKXXILUYWLO-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM C[C@@H]1CC(C(=O)Nc2c([O-])cccc2F)C[C@@H](C)C1 ZINC000679560871 1130538933 /nfs/dbraw/zinc/53/89/33/1130538933.db2.gz ROFUVDICAIOPEW-UWVGGRQHSA-N -1 1 265.328 3.542 20 0 CHADMM CCC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000758312044 1130606272 /nfs/dbraw/zinc/60/62/72/1130606272.db2.gz BEJVKWRCFKKQEL-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM CC(C)C[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000759348027 1130653340 /nfs/dbraw/zinc/65/33/40/1130653340.db2.gz XLLONUOHJMXFOE-GFCCVEGCSA-N -1 1 295.810 3.944 20 0 CHADMM CCCc1cc(-c2c(F)ccc(C)c2[O-])nc(C)n1 ZINC001236389440 1130924975 /nfs/dbraw/zinc/92/49/75/1130924975.db2.gz FLCIVWGCKULTTM-UHFFFAOYSA-N -1 1 260.312 3.558 20 0 CHADMM Cc1ccc(F)c(-c2ccc(OC(F)F)cn2)c1[O-] ZINC001236394352 1130926301 /nfs/dbraw/zinc/92/63/01/1130926301.db2.gz WTDMOSWNPPKKKB-UHFFFAOYSA-N -1 1 269.222 3.503 20 0 CHADMM Cc1ccc(F)c(-c2ccc(SC(C)C)nn2)c1[O-] ZINC001236392622 1130927073 /nfs/dbraw/zinc/92/70/73/1130927073.db2.gz QAMRBDVZKSTPLJ-UHFFFAOYSA-N -1 1 278.352 3.797 20 0 CHADMM C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238146712 1131174494 /nfs/dbraw/zinc/17/44/94/1131174494.db2.gz MAQFGQBXAUHUNH-SNVBAGLBSA-N -1 1 271.763 3.807 20 0 CHADMM C[C@]1(F)CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238142887 1131174855 /nfs/dbraw/zinc/17/48/55/1131174855.db2.gz IZPPFOORRGDKRW-AWEZNQCLSA-N -1 1 289.753 3.899 20 0 CHADMM [O-]c1ccc(F)c(-c2cnc(-c3ccco3)cn2)c1Cl ZINC001245827597 1131196024 /nfs/dbraw/zinc/19/60/24/1131196024.db2.gz NTGZHKCJJFWLMW-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)c(F)c1 ZINC001245832081 1131201869 /nfs/dbraw/zinc/20/18/69/1131201869.db2.gz UXTYUIUOFYAKJW-UHFFFAOYSA-N -1 1 270.662 3.999 20 0 CHADMM [O-]c1ccc(F)c(-c2cccc3c2OCCO3)c1Cl ZINC001245832126 1131202019 /nfs/dbraw/zinc/20/20/19/1131202019.db2.gz VCSSKKWALJDOBU-UHFFFAOYSA-N -1 1 280.682 3.623 20 0 CHADMM O=c1c(-c2c(F)ccc([O-])c2Cl)cccn1C1CCC1 ZINC001245834468 1131204233 /nfs/dbraw/zinc/20/42/33/1131204233.db2.gz IQEASBAEMXQZNK-UHFFFAOYSA-N -1 1 293.725 3.738 20 0 CHADMM CC(C)Cn1ccc(-c2c(F)ccc([O-])c2Cl)cc1=O ZINC001245835031 1131205924 /nfs/dbraw/zinc/20/59/24/1131205924.db2.gz MIXVPKOOWGPCPE-UHFFFAOYSA-N -1 1 295.741 3.669 20 0 CHADMM CCCCC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001136774257 1131440962 /nfs/dbraw/zinc/44/09/62/1131440962.db2.gz WDRANEYZZDAIEF-CYBMUJFWSA-N -1 1 278.396 3.512 20 0 CHADMM C[C@H](NC(=O)c1cccc([O-])c1F)C1CCCCCC1 ZINC001138124633 1131469931 /nfs/dbraw/zinc/46/99/31/1131469931.db2.gz TVFJURVYLRKLLX-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM Cc1c(Cl)cccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049235 1131526309 /nfs/dbraw/zinc/52/63/09/1131526309.db2.gz WUKYVDYAVMKSDU-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM CCC[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC001143916354 1131553937 /nfs/dbraw/zinc/55/39/37/1131553937.db2.gz CGLUTYWBQWGLLW-WCQYABFASA-N -1 1 279.355 3.620 20 0 CHADMM CCc1cccc(NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001202885632 1131571153 /nfs/dbraw/zinc/57/11/53/1131571153.db2.gz FOWBSSNBXAGTRU-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001202940622 1131610436 /nfs/dbraw/zinc/61/04/36/1131610436.db2.gz PUSSMHPXPCUCBY-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM Cc1ccc2c(c1)CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144663232 1131677245 /nfs/dbraw/zinc/67/72/45/1131677245.db2.gz ABEXCFUHQDSOHF-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM [O-]c1cc(F)c(CN2Cc3ccc(Cl)cc3C2)cc1F ZINC001144659508 1131678998 /nfs/dbraw/zinc/67/89/98/1131678998.db2.gz LFSNGYTYHOYYAE-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM C[C@@H]1CC[C@H](Oc2[n-]c(=S)nc3cnccc32)C[C@H]1C ZINC001227880604 1131757362 /nfs/dbraw/zinc/75/73/62/1131757362.db2.gz CMNOFOCXAXGNKF-MXWKQRLJSA-N -1 1 289.404 3.891 20 0 CHADMM C[C@@H]1CC[C@H](Oc2[n-]c(=S)nc3cnccc32)C[C@@H]1C ZINC001227880611 1131757991 /nfs/dbraw/zinc/75/79/91/1131757991.db2.gz CMNOFOCXAXGNKF-VWYCJHECSA-N -1 1 289.404 3.891 20 0 CHADMM CC(C)[C@H]1CC[C@H](C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC001146550138 1131790258 /nfs/dbraw/zinc/79/02/58/1131790258.db2.gz DOKCLSXNNRMXCT-JOCQHMNTSA-N -1 1 279.355 3.698 20 0 CHADMM C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccccc1)C1CC1 ZINC001228182479 1131825834 /nfs/dbraw/zinc/82/58/34/1131825834.db2.gz FXSHNYNHYPNQDW-GFCCVEGCSA-N -1 1 282.339 3.801 20 0 CHADMM O=C(NC1CCC(C2CCC2)CC1)c1c([O-])cccc1F ZINC001148071907 1131842083 /nfs/dbraw/zinc/84/20/83/1131842083.db2.gz DDDYYCQSJNEGDK-UHFFFAOYSA-N -1 1 291.366 3.620 20 0 CHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1C2CCC1CC2 ZINC001148868887 1131875003 /nfs/dbraw/zinc/87/50/03/1131875003.db2.gz DWXLDZIAQISHBZ-UHFFFAOYSA-N -1 1 293.366 3.826 20 0 CHADMM O=C(Nc1ccc[nH]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148866985 1131875261 /nfs/dbraw/zinc/87/52/61/1131875261.db2.gz JFPDDXAYPKZKNZ-UHFFFAOYSA-N -1 1 278.311 3.640 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1OC1CCCCCC1 ZINC001228557187 1131908561 /nfs/dbraw/zinc/90/85/61/1131908561.db2.gz VXYDGZQAXLFGHZ-UHFFFAOYSA-N -1 1 278.348 3.792 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2ccccc21 ZINC001228554792 1131908621 /nfs/dbraw/zinc/90/86/21/1131908621.db2.gz LUZHZHQDJJBAHX-MRXNPFEDSA-N -1 1 298.338 3.757 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC2CCC1CC2 ZINC001228556652 1131909233 /nfs/dbraw/zinc/90/92/33/1131909233.db2.gz QGTOLDDGBCYBPM-QKFMDRJYSA-N -1 1 290.359 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](CC)C(C)(C)C ZINC001228554755 1131909728 /nfs/dbraw/zinc/90/97/28/1131909728.db2.gz LBVQJVZTUYNYEI-AWEZNQCLSA-N -1 1 280.364 3.894 20 0 CHADMM S=c1nc2ccccc2c(O[C@@H]2CCc3ccccc32)[n-]1 ZINC001228759385 1131952485 /nfs/dbraw/zinc/95/24/85/1131952485.db2.gz ACGNTYUTUUWZBU-OAHLLOKOSA-N -1 1 294.379 3.985 20 0 CHADMM Cc1ccc([C@@H](C)Oc2[n-]c(=S)nc3ccccc32)cn1 ZINC001228765661 1131952608 /nfs/dbraw/zinc/95/26/08/1131952608.db2.gz OENKDWSIQMLSHL-LLVKDONJSA-N -1 1 297.383 3.762 20 0 CHADMM Cc1cccc2c1CCN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140889478 1131959062 /nfs/dbraw/zinc/95/90/62/1131959062.db2.gz HESZRMPVLJGTIA-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM O=C1C[C@@H](c2ccccc2)Oc2cc([O-])cc(OC3CC3)c21 ZINC001229228605 1132042107 /nfs/dbraw/zinc/04/21/07/1132042107.db2.gz FXRPABUWGFMZLP-HNNXBMFYSA-N -1 1 296.322 3.640 20 0 CHADMM CCCOC[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229410760 1132063142 /nfs/dbraw/zinc/06/31/42/1132063142.db2.gz MXWMDAOEGUSGLD-QMMMGPOBSA-N -1 1 279.163 3.893 20 0 CHADMM CCCOC[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229410756 1132063307 /nfs/dbraw/zinc/06/33/07/1132063307.db2.gz MXWMDAOEGUSGLD-MRVPVSSYSA-N -1 1 279.163 3.893 20 0 CHADMM C[C@H]1C[C@@H](Oc2cc([O-])c(Cl)cc2Cl)CCO1 ZINC001229405858 1132063821 /nfs/dbraw/zinc/06/38/21/1132063821.db2.gz CAYANVWMZXYMBA-YUMQZZPRSA-N -1 1 277.147 3.645 20 0 CHADMM CCCC(=O)[C@H](CCC)Oc1cc([O-])ccc1C(=O)CC ZINC001229474189 1132073013 /nfs/dbraw/zinc/07/30/13/1132073013.db2.gz CFSQAACPJUUFBL-INIZCTEOSA-N -1 1 292.375 3.902 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@@H]1C ZINC001229474981 1132073269 /nfs/dbraw/zinc/07/32/69/1132073269.db2.gz OBACFXPYVRXYNN-NHYWBVRUSA-N -1 1 262.349 3.942 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccc(C)nc1 ZINC001229475221 1132073690 /nfs/dbraw/zinc/07/36/90/1132073690.db2.gz RDKWWBVLXMNVHX-LBPRGKRZSA-N -1 1 285.343 3.828 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1nccs1 ZINC001229478458 1132074062 /nfs/dbraw/zinc/07/40/62/1132074062.db2.gz WNAKOQQBIPCXRT-VIFPVBQESA-N -1 1 277.345 3.581 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccncc1 ZINC001229474381 1132074301 /nfs/dbraw/zinc/07/43/01/1132074301.db2.gz DAJHOFLDUIUKKZ-NSHDSACASA-N -1 1 271.316 3.520 20 0 CHADMM CCN(Cc1occc1C)C(=O)c1c([O-])cccc1Cl ZINC000839887202 1132237812 /nfs/dbraw/zinc/23/78/12/1132237812.db2.gz KJRYUNSKJCXDGR-UHFFFAOYSA-N -1 1 293.750 3.609 20 0 CHADMM Cc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1Cl ZINC001141833665 1132254529 /nfs/dbraw/zinc/25/45/29/1132254529.db2.gz KHHFRENJEBLHMW-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM Oc1cc(C[N@H+]2CCCCC23CC3)ccc1Cl ZINC001231736273 1132349483 /nfs/dbraw/zinc/34/94/83/1132349483.db2.gz GXRKOHJCYJMLCY-UHFFFAOYSA-N -1 1 251.757 3.564 20 0 CHADMM Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001173809120 1132542411 /nfs/dbraw/zinc/54/24/11/1132542411.db2.gz RZACVJUQZAFEAZ-UHFFFAOYSA-N -1 1 267.284 3.551 20 0 CHADMM O=C(c1cccc([O-])c1F)N(c1ccccc1)C1CCC1 ZINC001149588021 1132545332 /nfs/dbraw/zinc/54/53/32/1132545332.db2.gz KYNBKMMLYLXGDF-UHFFFAOYSA-N -1 1 285.318 3.731 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232970771 1132554099 /nfs/dbraw/zinc/55/40/99/1132554099.db2.gz MMEHTORCGHTKNN-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CC(C)Sc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001150805615 1132561369 /nfs/dbraw/zinc/56/13/69/1132561369.db2.gz DQLZUVVPWWTTLQ-UHFFFAOYSA-N -1 1 288.372 3.540 20 0 CHADMM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cccc([O-])c1F ZINC001153422302 1132592923 /nfs/dbraw/zinc/59/29/23/1132592923.db2.gz YTOXSYIOEOYKLL-SFHVURJKSA-N -1 1 299.345 3.683 20 0 CHADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1c([O-])ccc2ccccc21 ZINC001153498789 1132594816 /nfs/dbraw/zinc/59/48/16/1132594816.db2.gz SORXTWAMSZCWHI-BETUJISGSA-N -1 1 283.371 3.949 20 0 CHADMM C[C@@H]1CN(C(=O)c2c([O-])ccc3ccccc32)C2(CC2)C1 ZINC001153506397 1132596117 /nfs/dbraw/zinc/59/61/17/1132596117.db2.gz UHADDNRENQCFDJ-LBPRGKRZSA-N -1 1 281.355 3.560 20 0 CHADMM CC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001173899195 1132604044 /nfs/dbraw/zinc/60/40/44/1132604044.db2.gz AWAJQBLWGOLBPM-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])CC1 ZINC001154885692 1132629918 /nfs/dbraw/zinc/62/99/18/1132629918.db2.gz QYIACNIUNOXQQX-OCCSQVGLSA-N -1 1 293.382 3.866 20 0 CHADMM CCc1ccccc1[N-]c1nnc(-c2ccco2)o1 ZINC001173967285 1132637504 /nfs/dbraw/zinc/63/75/04/1132637504.db2.gz AWZKONIMYMSEEF-UHFFFAOYSA-N -1 1 255.277 3.636 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc(F)c2F)cc1F ZINC001173946686 1132654058 /nfs/dbraw/zinc/65/40/58/1132654058.db2.gz AYUZWZXLXPKKFR-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCC[C@@H]1C ZINC001233649449 1132655853 /nfs/dbraw/zinc/65/58/53/1132655853.db2.gz YACRWHKFYQJAFR-NHYWBVRUSA-N -1 1 262.349 3.942 20 0 CHADMM CCCCOC[C@H](C)Oc1cc([O-])ccc1C(=O)CCC ZINC001233651420 1132656890 /nfs/dbraw/zinc/65/68/90/1132656890.db2.gz ZUDFZSOXNDBNEA-ZDUSSCGKSA-N -1 1 294.391 3.959 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001233651348 1132657633 /nfs/dbraw/zinc/65/76/33/1132657633.db2.gz YMQMUMNTODQPBP-PTEHBNRSSA-N -1 1 260.333 3.552 20 0 CHADMM Cc1ccncc1Nc1cc([O-])c(Cl)cc1F ZINC001174117304 1132731770 /nfs/dbraw/zinc/73/17/70/1132731770.db2.gz UIOCYUORDITPSY-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM COc1cc(F)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001174130299 1132739448 /nfs/dbraw/zinc/73/94/48/1132739448.db2.gz LFJXKWBAEVSYAX-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM C[C@H](Cc1ccco1)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157899922 1132754738 /nfs/dbraw/zinc/75/47/38/1132754738.db2.gz OBVZFMNTZGJADX-MRVPVSSYSA-N -1 1 297.713 3.595 20 0 CHADMM CCC1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCCC1 ZINC001158763445 1132792676 /nfs/dbraw/zinc/79/26/76/1132792676.db2.gz NUYWJYDVOWAUHM-UHFFFAOYSA-N -1 1 299.370 3.704 20 0 CHADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001159081093 1132804845 /nfs/dbraw/zinc/80/48/45/1132804845.db2.gz SNFZMNHYZGGIHL-MLGOLLRUSA-N -1 1 281.355 3.630 20 0 CHADMM COc1ccc(F)c(F)c1[N-]c1nc2ccc(F)cc2o1 ZINC001174421678 1132838513 /nfs/dbraw/zinc/83/85/13/1132838513.db2.gz LLGSCZPASZPKAV-UHFFFAOYSA-N -1 1 294.232 3.997 20 0 CHADMM CC(C)CCn1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001174415499 1132855429 /nfs/dbraw/zinc/85/54/29/1132855429.db2.gz XCFIEVIAXWMUMD-UHFFFAOYSA-N -1 1 281.306 3.657 20 0 CHADMM [O-]c1cc(Nc2cnc(C3CC3)nc2)c(F)cc1Cl ZINC001174615528 1132943124 /nfs/dbraw/zinc/94/31/24/1132943124.db2.gz JAKFWDDMNJDJLI-UHFFFAOYSA-N -1 1 279.702 3.596 20 0 CHADMM [O-]c1cc(Nc2cccc3[nH]ccc32)cc(F)c1F ZINC001174648629 1132948405 /nfs/dbraw/zinc/94/84/05/1132948405.db2.gz NCVYYGUDAPTUOT-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM CC1(C)CCCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC001160916207 1132987445 /nfs/dbraw/zinc/98/74/45/1132987445.db2.gz GLLPQZDYBAOWEN-SECBINFHSA-N -1 1 283.318 3.825 20 0 CHADMM CCC[C@@H](CC(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001161179398 1132994633 /nfs/dbraw/zinc/99/46/33/1132994633.db2.gz MEEPBVLMVGIIPJ-JTQLQIEISA-N -1 1 284.787 3.842 20 0 CHADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1Cl ZINC001163916158 1133183818 /nfs/dbraw/zinc/18/38/18/1133183818.db2.gz JKUONXUUYSHDDK-UHFFFAOYSA-N -1 1 261.708 3.606 20 0 CHADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001165751733 1133250370 /nfs/dbraw/zinc/25/03/70/1133250370.db2.gz RDXWIAAGHUNKAK-QMMMGPOBSA-N -1 1 295.260 3.552 20 0 CHADMM Cc1nc(SCC[C@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC001165917700 1133254613 /nfs/dbraw/zinc/25/46/13/1133254613.db2.gz MTKBNVNIRTVSIU-SNVBAGLBSA-N -1 1 288.363 3.717 20 0 CHADMM Cc1nc2cccc(-c3ccc(F)c(C(=O)[O-])c3F)c2[nH]1 ZINC001205095660 1133528974 /nfs/dbraw/zinc/52/89/74/1133528974.db2.gz KTTCMTICCLGTNR-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccc4ccccc4c3)no2)nn1 ZINC001205299326 1133557354 /nfs/dbraw/zinc/55/73/54/1133557354.db2.gz PYGYFPCUZCXBCD-UHFFFAOYSA-N -1 1 290.282 3.613 20 0 CHADMM CCn1nccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001205317435 1133559342 /nfs/dbraw/zinc/55/93/42/1133559342.db2.gz BQOSYGWRFQJWJM-UHFFFAOYSA-N -1 1 272.135 3.659 20 0 CHADMM C=Cc1ccccc1[N-]c1nnc(-c2ccco2)o1 ZINC001209939450 1134104255 /nfs/dbraw/zinc/10/42/55/1134104255.db2.gz LLLGZHGVFJMQSQ-UHFFFAOYSA-N -1 1 253.261 3.716 20 0 CHADMM COc1ccc(C(C)=O)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210079995 1134142831 /nfs/dbraw/zinc/14/28/31/1134142831.db2.gz XTQQBJHRRSGCQN-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM COc1ccc(C(C)=O)cc1Nc1cc(F)c([O-])cc1F ZINC001210079313 1134142918 /nfs/dbraw/zinc/14/29/18/1134142918.db2.gz CCQIOFJEYQRLEC-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM Cc1cc2n[nH]cc2cc1Nc1cc(F)c([O-])cc1F ZINC001210104971 1134148168 /nfs/dbraw/zinc/14/81/68/1134148168.db2.gz GNFCYXWDPDYYOJ-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1cc([N-]c2nc(C(C)(C)C)ns2)c(C)o1 ZINC001210278890 1134183652 /nfs/dbraw/zinc/18/36/52/1134183652.db2.gz XOTKNBYYVRTODZ-UHFFFAOYSA-N -1 1 251.355 3.789 20 0 CHADMM Cc1c(Cl)cc(Nc2cncc(N)c2)c([O-])c1Cl ZINC001210442366 1134215296 /nfs/dbraw/zinc/21/52/96/1134215296.db2.gz ZZKUXHUXCKRYNK-UHFFFAOYSA-N -1 1 284.146 3.728 20 0 CHADMM COc1cc(F)c(F)cc1Nc1cc(F)c([O-])cc1F ZINC001210551207 1134246411 /nfs/dbraw/zinc/24/64/11/1134246411.db2.gz RABSPWYNRJIUQG-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1oncc1Nc1c(Cl)ccc([O-])c1Cl ZINC001210581045 1134255948 /nfs/dbraw/zinc/25/59/48/1134255948.db2.gz LDCABHDVVAXNDH-UHFFFAOYSA-N -1 1 259.092 3.739 20 0 CHADMM [O-]c1cc(F)c(Nc2ccccc2-n2cccn2)cc1F ZINC001210734145 1134286193 /nfs/dbraw/zinc/28/61/93/1134286193.db2.gz LZVPDJCLRNMEPA-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccccc1OC1CC1 ZINC001210839136 1134308624 /nfs/dbraw/zinc/30/86/24/1134308624.db2.gz NBXFCWNZNSGDKJ-UHFFFAOYSA-N -1 1 277.270 3.955 20 0 CHADMM COc1cc(C)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001211118081 1134374705 /nfs/dbraw/zinc/37/47/05/1134374705.db2.gz LFYVQVBWVULYLA-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM CCOC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 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Cc1nc2c(cccc2Nc2cc(F)c([O-])c(F)c2)o1 ZINC001213381701 1134445711 /nfs/dbraw/zinc/44/57/11/1134445711.db2.gz AIVNRTOSJYENEH-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM Cc1ncc(C2CC2)cc1Nc1ccnc(Cl)c1[O-] ZINC001213497533 1134455665 /nfs/dbraw/zinc/45/56/65/1134455665.db2.gz UAFFHAGDBLHYPQ-UHFFFAOYSA-N -1 1 275.739 3.765 20 0 CHADMM Nc1cc(Cl)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001213658639 1134474940 /nfs/dbraw/zinc/47/49/40/1134474940.db2.gz SNZALUCANSERII-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM Cc1cc(F)ncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479914 1134542242 /nfs/dbraw/zinc/54/22/42/1134542242.db2.gz KAWGCZVBHOKTCK-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM O=c1cc[nH]c(Cl)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214485158 1134544101 /nfs/dbraw/zinc/54/41/01/1134544101.db2.gz VUJDWXXYTNUECU-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM Cc1ccc(CO)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214494507 1134545164 /nfs/dbraw/zinc/54/51/64/1134545164.db2.gz RDKUNIFBTKJSLQ-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM 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3.511 20 0 CHADMM Cc1nc2ccc(F)cn2c1Nc1cccc(C(=O)[O-])c1C ZINC001216658758 1134940211 /nfs/dbraw/zinc/94/02/11/1134940211.db2.gz HSXVOEVGYVPFKM-UHFFFAOYSA-N -1 1 299.305 3.532 20 0 CHADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])C1=CCCC1 ZINC000312275713 1135132482 /nfs/dbraw/zinc/13/24/82/1135132482.db2.gz OUJRUPYOSVMBCG-UHFFFAOYSA-N -1 1 293.794 3.912 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cncc(Cl)c1 ZINC001219680113 1135137950 /nfs/dbraw/zinc/13/79/50/1135137950.db2.gz VBXRDGNHHZYMHF-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM CC(C)CC[N@H+](C)Cc1cccc(O)c1Br ZINC000315757078 1135159152 /nfs/dbraw/zinc/15/91/52/1135159152.db2.gz ZRMGKPVDAVNMBA-UHFFFAOYSA-N -1 1 286.213 3.633 20 0 CHADMM [O-]c1cc(F)c(-c2cnc3sccc3c2)cc1F ZINC001222083138 1135189935 /nfs/dbraw/zinc/18/99/35/1135189935.db2.gz PKGAXQHGNSMCFI-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM CCCC(CCC)Oc1cc([O-])ccc1C(C)=O ZINC001225616077 1135595629 /nfs/dbraw/zinc/59/56/29/1135595629.db2.gz FRGQJEKKWCYDKU-UHFFFAOYSA-N -1 1 250.338 3.942 20 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/nfs/dbraw/zinc/17/75/29/261177529.db2.gz BXCZALGHBTXLCG-UHFFFAOYSA-N -1 1 295.260 3.895 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]2CCCC[C@H]12 ZINC000180543228 261425832 /nfs/dbraw/zinc/42/58/32/261425832.db2.gz LSBRUDOEAOCNSY-QKCSRTOESA-N -1 1 293.794 3.696 20 0 CHADMM Cc1ccc(SCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340330921 263114371 /nfs/dbraw/zinc/11/43/71/263114371.db2.gz XEEWPURXZVAIMX-UHFFFAOYSA-N -1 1 291.347 3.571 20 0 CHADMM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000531756361 328029423 /nfs/dbraw/zinc/02/94/23/328029423.db2.gz UCFHSIOYHYLZHT-UHFFFAOYSA-N -1 1 294.351 3.672 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000531755588 328030635 /nfs/dbraw/zinc/03/06/35/328030635.db2.gz FLFBCHOSRRQEJB-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCCCC(=O)C1 ZINC000571139303 328088533 /nfs/dbraw/zinc/08/85/33/328088533.db2.gz LUTPRXHHVLPYCC-SNVBAGLBSA-N -1 1 295.766 3.524 20 0 CHADMM CC/C=C\CCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000571299616 328100806 /nfs/dbraw/zinc/10/08/06/328100806.db2.gz WUOMUNIOCTXROQ-SREVYHEPSA-N -1 1 252.383 3.501 20 0 CHADMM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000571357508 328116349 /nfs/dbraw/zinc/11/63/49/328116349.db2.gz RUNZOTIDGSGFKS-UHFFFAOYSA-N -1 1 295.404 3.536 20 0 CHADMM Cc1csc(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000048520124 328309564 /nfs/dbraw/zinc/30/95/64/328309564.db2.gz ZUJFYLBMIUJGFO-UHFFFAOYSA-N -1 1 276.361 3.533 20 0 CHADMM O=C(C/C=C\c1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000534711652 328359130 /nfs/dbraw/zinc/35/91/30/328359130.db2.gz ZYUJXUBCTLMHGX-HYXAFXHYSA-N -1 1 289.281 3.712 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000112334948 328398464 /nfs/dbraw/zinc/39/84/64/328398464.db2.gz UYUBNRZVSUIBTO-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM C[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445481371 326830731 /nfs/dbraw/zinc/83/07/31/326830731.db2.gz OMHXIPFKAJJUCP-MWLCHTKSSA-N -1 1 276.311 3.875 20 0 CHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000584074924 326919135 /nfs/dbraw/zinc/91/91/35/326919135.db2.gz KLENPOVQIQJAMR-DUXPYHPUSA-N -1 1 291.347 3.660 20 0 CHADMM Cc1cc(C)c(CSc2ncc(C)c(=O)[n-]2)c(C)c1 ZINC000568271152 326988095 /nfs/dbraw/zinc/98/80/95/326988095.db2.gz YFQCKQAMSCLKCR-UHFFFAOYSA-N -1 1 274.389 3.708 20 0 CHADMM Cc1cnc(SCc2cccc(OC(C)C)c2)[n-]c1=O ZINC000568647992 327008163 /nfs/dbraw/zinc/00/81/63/327008163.db2.gz BABUAPPAAGCJLZ-UHFFFAOYSA-N -1 1 290.388 3.570 20 0 CHADMM CC(C)(C)Oc1ccccc1NC(=O)c1ccccc1[O-] ZINC000115301045 327234591 /nfs/dbraw/zinc/23/45/91/327234591.db2.gz MOVGIRKXKPVLBP-UHFFFAOYSA-N -1 1 285.343 3.822 20 0 CHADMM C[C@H]1CC(C(=O)Nc2ccc(F)cc2[O-])C[C@H](C)C1 ZINC000507324392 332802682 /nfs/dbraw/zinc/80/26/82/332802682.db2.gz JIXAYPWTBPRVDU-NXEZZACHSA-N -1 1 265.328 3.542 20 0 CHADMM CCCc1ccccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000042373416 328767300 /nfs/dbraw/zinc/76/73/00/328767300.db2.gz SBVPHZJFIFDCCT-UHFFFAOYSA-N -1 1 285.343 3.606 20 0 CHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000399601049 330243198 /nfs/dbraw/zinc/24/31/98/330243198.db2.gz YXBWGSMYQQZBNC-FRRDWIJNSA-N -1 1 283.371 3.662 20 0 CHADMM Cc1cc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])c(C)o1 ZINC000044731485 330331466 /nfs/dbraw/zinc/33/14/66/330331466.db2.gz FGLMVVGKMFKYEM-VIFPVBQESA-N -1 1 293.750 3.746 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](F)C3)n2)cc1F ZINC000424352805 330345579 /nfs/dbraw/zinc/34/55/79/330345579.db2.gz DUDIFOUEQUQZPE-UWVGGRQHSA-N -1 1 280.274 3.577 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc[nH]3)n2)c(Cl)c1 ZINC000445445809 330358973 /nfs/dbraw/zinc/35/89/73/330358973.db2.gz BMTRARPPLFDOTK-UTCJRWHESA-N -1 1 287.706 3.594 20 0 CHADMM [O-]c1ccc(-c2noc(C3CC=CC3)n2)c(Cl)c1 ZINC000445446964 330363034 /nfs/dbraw/zinc/36/30/34/330363034.db2.gz NJSOEXZXYJGKPM-UHFFFAOYSA-N -1 1 262.696 3.529 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2c[nH]c3ccccc32)no1 ZINC000445448717 330371409 /nfs/dbraw/zinc/37/14/09/330371409.db2.gz WULLSNLKBBYPNX-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM Cc1ccsc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000057290509 330373044 /nfs/dbraw/zinc/37/30/44/330373044.db2.gz QLYBEIITQNOXLJ-UHFFFAOYSA-N -1 1 295.791 3.688 20 0 CHADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436579222 330680644 /nfs/dbraw/zinc/68/06/44/330680644.db2.gz YIHHKWOGASPYHK-FZMZJTMJSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1F ZINC000436691545 330682790 /nfs/dbraw/zinc/68/27/90/330682790.db2.gz YUHWUMHCQQWFPU-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1 ZINC000436705534 330683003 /nfs/dbraw/zinc/68/30/03/330683003.db2.gz PCHXTPSJPLQVOV-BDJLRTHQSA-N -1 1 293.794 3.698 20 0 CHADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436717968 330683158 /nfs/dbraw/zinc/68/31/58/330683158.db2.gz JGLMGXQNTJUIFC-QWRGUYRKSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cc2ccccc2o1 ZINC000436758860 330684503 /nfs/dbraw/zinc/68/45/03/330684503.db2.gz ZXXICLLVOPWTBI-JTQLQIEISA-N -1 1 299.301 3.769 20 0 CHADMM CCCC[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436874805 330687232 /nfs/dbraw/zinc/68/72/32/330687232.db2.gz RPVOQUWZQYZWMS-VIFPVBQESA-N -1 1 264.300 3.875 20 0 CHADMM CC(C)C[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436875610 330687240 /nfs/dbraw/zinc/68/72/40/330687240.db2.gz UZXXWSFBNKTKBN-VIFPVBQESA-N -1 1 264.300 3.731 20 0 CHADMM CC(C)C[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881550 330687517 /nfs/dbraw/zinc/68/75/17/330687517.db2.gz XFLIGPGSTISEBB-SECBINFHSA-N -1 1 264.300 3.731 20 0 CHADMM C[C@H](Cc1noc(-c2cc(F)ccc2[O-])n1)c1ccccc1 ZINC000436949934 330689779 /nfs/dbraw/zinc/68/97/79/330689779.db2.gz XNFOSGQDYKURGM-LLVKDONJSA-N -1 1 298.317 3.928 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3F)n2)cc1F ZINC000445487451 330829823 /nfs/dbraw/zinc/82/98/23/330829823.db2.gz SPJYDZJWZWNOEJ-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM C[C@H]1CC(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H](C)C1 ZINC000456788727 331203959 /nfs/dbraw/zinc/20/39/59/331203959.db2.gz SELZJOHPNSHXLC-RKDXNWHRSA-N -1 1 283.318 3.681 20 0 CHADMM CC[C@H](CC(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000457651086 331230160 /nfs/dbraw/zinc/23/01/60/331230160.db2.gz GFAQJMFNORGCFM-SSDOTTSWSA-N -1 1 277.698 3.666 20 0 CHADMM CC(C)[N@H+](Cc1cccc(O)c1Br)C1CC1 ZINC000459295570 331274952 /nfs/dbraw/zinc/27/49/52/331274952.db2.gz GJXVLIMLEZKHJQ-UHFFFAOYSA-N -1 1 284.197 3.528 20 0 CHADMM O=S(=O)([N-]c1cccc(C2CCC2)c1)c1ccccc1 ZINC000461348779 331312528 /nfs/dbraw/zinc/31/25/28/331312528.db2.gz UTHKKTUOOQGHDI-UHFFFAOYSA-N -1 1 287.384 3.755 20 0 CHADMM Cc1cccc(CCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000566498292 334652676 /nfs/dbraw/zinc/65/26/76/334652676.db2.gz DIJDNAASNRHEPC-UHFFFAOYSA-N -1 1 274.389 3.524 20 0 CHADMM C[C@@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000088707577 333091378 /nfs/dbraw/zinc/09/13/78/333091378.db2.gz JODIDROUEKJEHL-OLZOCXBDSA-N -1 1 283.371 3.806 20 0 CHADMM CC(C)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000088845521 333092851 /nfs/dbraw/zinc/09/28/51/333092851.db2.gz LZFABMYRCFXMFV-MRXNPFEDSA-N -1 1 283.371 3.806 20 0 CHADMM CC(C)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000088845533 333092925 /nfs/dbraw/zinc/09/29/25/333092925.db2.gz HBCIIBMXOBMZAM-MRXNPFEDSA-N -1 1 283.371 3.806 20 0 CHADMM Cc1c2ccccc2oc1CNCc1cc(O)cc(F)c1 ZINC000185537707 333143177 /nfs/dbraw/zinc/14/31/77/333143177.db2.gz HLLPCWCEAWCDIC-UHFFFAOYSA-N -1 1 285.318 3.876 20 0 CHADMM CC(F)(F)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000521703659 333184304 /nfs/dbraw/zinc/18/43/04/333184304.db2.gz XACOMJUBVAWFAD-UHFFFAOYSA-N -1 1 292.310 3.763 20 0 CHADMM Cc1ccc2nc(-c3ccc(OC(C)C)cc3)[n-]c(=O)c2c1 ZINC000193545589 333252756 /nfs/dbraw/zinc/25/27/56/333252756.db2.gz UCSQSTMJFIHEFQ-UHFFFAOYSA-N -1 1 294.354 3.686 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000228833160 333297735 /nfs/dbraw/zinc/29/77/35/333297735.db2.gz PVKQYWBYNFZRKP-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cc2c(s1)CCCC2 ZINC000530004584 333517695 /nfs/dbraw/zinc/51/76/95/333517695.db2.gz CEBLQWSPBKOHNF-UHFFFAOYSA-N -1 1 291.347 3.724 20 0 CHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1F ZINC000530179024 333527025 /nfs/dbraw/zinc/52/70/25/333527025.db2.gz KQVGKKWNVUQUMD-UWVGGRQHSA-N -1 1 299.773 3.553 20 0 CHADMM C[C@@H]1CCCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000070410730 333809584 /nfs/dbraw/zinc/80/95/84/333809584.db2.gz OGRTVZVZXJIVMQ-CYBMUJFWSA-N -1 1 283.371 3.950 20 0 CHADMM CC(C)[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000134964735 334109884 /nfs/dbraw/zinc/10/98/84/334109884.db2.gz BLTYMVXAEKPZLX-OAHLLOKOSA-N -1 1 283.371 3.664 20 0 CHADMM O=C(Nc1ccsc1)c1cc2ccccc2cc1[O-] ZINC000080109837 334165980 /nfs/dbraw/zinc/16/59/80/334165980.db2.gz OXLJZRNZAJVKKX-UHFFFAOYSA-N -1 1 269.325 3.859 20 0 CHADMM Cc1cc([C@H](C)N2CCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000576710131 335238444 /nfs/dbraw/zinc/23/84/44/335238444.db2.gz AZZKWDQYHGHPMN-RYUDHWBXSA-N -1 1 289.331 3.777 20 0 CHADMM CSc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181855801 335788559 /nfs/dbraw/zinc/78/85/59/335788559.db2.gz KLLIARUWADPVSN-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C(C)(C)C1 ZINC000380374733 335978021 /nfs/dbraw/zinc/97/80/21/335978021.db2.gz FHMKQPONIUFKMB-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM COc1ccc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)c([O-])c1 ZINC000385098603 336137997 /nfs/dbraw/zinc/13/79/97/336137997.db2.gz ZFGMJMDIUIUJTK-CMPLNLGQSA-N -1 1 288.347 3.745 20 0 CHADMM COc1ccc(-c2nc([C@H]3CCCC[C@@H]3C)no2)c([O-])c1 ZINC000385098605 336138088 /nfs/dbraw/zinc/13/80/88/336138088.db2.gz ZFGMJMDIUIUJTK-JQWIXIFHSA-N -1 1 288.347 3.745 20 0 CHADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1cccc(Cl)c1 ZINC000581731767 336139403 /nfs/dbraw/zinc/13/94/03/336139403.db2.gz ONUGNJRMONKTGB-UHFFFAOYSA-N -1 1 293.750 3.653 20 0 CHADMM O=C(NCCCCC1CCCC1)c1c(F)ccc([O-])c1F ZINC000581970531 336181170 /nfs/dbraw/zinc/18/11/70/336181170.db2.gz GTKGELRNXQGFCI-UHFFFAOYSA-N -1 1 297.345 3.761 20 0 CHADMM CC(C)(C)c1nc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000340329409 519092645 /nfs/dbraw/zinc/09/26/45/519092645.db2.gz DFHFZXUFTXLGTA-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM CC(C)c1csc(CNCc2cccc([O-])c2Cl)n1 ZINC000293363699 519854731 /nfs/dbraw/zinc/85/47/31/519854731.db2.gz UTZLUXSQNIZABG-UHFFFAOYSA-N -1 1 296.823 3.915 20 0 CHADMM CCCc1nc(C)c(CNCc2cccc([O-])c2Cl)o1 ZINC000293123454 521497160 /nfs/dbraw/zinc/49/71/60/521497160.db2.gz ZIDMROGKBFNDDH-UHFFFAOYSA-N -1 1 294.782 3.584 20 0 CHADMM COCCC[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278135111 523491953 /nfs/dbraw/zinc/49/19/53/523491953.db2.gz KSIRCFGATMWKRQ-VIFPVBQESA-N -1 1 296.754 3.626 20 0 CHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000047215579 524066331 /nfs/dbraw/zinc/06/63/31/524066331.db2.gz FCCFAOANNKQAOI-UHFFFAOYSA-N -1 1 289.400 3.667 20 0 CHADMM Cc1ccc(F)c(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000277098213 524809228 /nfs/dbraw/zinc/80/92/28/524809228.db2.gz YPDKUGBHWJDRNA-CQSZACIVSA-N -1 1 293.363 3.501 20 0 CHADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000277212809 525860891 /nfs/dbraw/zinc/86/08/91/525860891.db2.gz HJTREYHKWGTWBI-OAHLLOKOSA-N -1 1 289.400 3.589 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-n2cccc2)c1 ZINC000340332109 527214381 /nfs/dbraw/zinc/21/43/81/527214381.db2.gz IJGZPPXWDUSQJR-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM O=C(NC1CCCCCCC1)c1c(F)ccc([O-])c1F ZINC000280732537 527521826 /nfs/dbraw/zinc/52/18/26/527521826.db2.gz IVQGIPXZFBSPEL-UHFFFAOYSA-N -1 1 283.318 3.513 20 0 CHADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCC1 ZINC000335214414 528859806 /nfs/dbraw/zinc/85/98/06/528859806.db2.gz GDEDOSDKMQONFW-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM C[C@@H]1CCC[C@H](Sc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736262992 598353004 /nfs/dbraw/zinc/35/30/04/598353004.db2.gz OUQHJOJXOVSTPB-ZJUUUORDSA-N -1 1 292.383 3.677 20 0 CHADMM CCc1ccc([C@H]2CCC[N@H+]2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000737259883 600411487 /nfs/dbraw/zinc/41/14/87/600411487.db2.gz ZWVNQMICDIZBMK-WBVHZDCISA-N -1 1 299.370 3.805 20 0 CHADMM CCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000737259883 600411489 /nfs/dbraw/zinc/41/14/89/600411489.db2.gz ZWVNQMICDIZBMK-WBVHZDCISA-N -1 1 299.370 3.805 20 0 CHADMM Cc1ccc([C@@H]2CCCCN2Cc2occc2C(=O)[O-])o1 ZINC000738584183 600968667 /nfs/dbraw/zinc/96/86/67/600968667.db2.gz UZJOUMSQYGOGNO-ZDUSSCGKSA-N -1 1 289.331 3.606 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)[C@H]1c1ccccc1 ZINC000830362489 601423023 /nfs/dbraw/zinc/42/30/23/601423023.db2.gz ALVPVLUREARNMP-SJCJKPOMSA-N -1 1 299.370 3.733 20 0 CHADMM C[C@H](c1c(F)cccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000086756180 601842391 /nfs/dbraw/zinc/84/23/91/601842391.db2.gz IHBUTFDEKAYNTR-LLVKDONJSA-N -1 1 297.345 3.603 20 0 CHADMM Cc1ccccc1[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832976741 604473857 /nfs/dbraw/zinc/47/38/57/604473857.db2.gz BBDOGEJDZLNBLT-ZDUSSCGKSA-N -1 1 281.355 3.770 20 0 CHADMM C/C(=C/c1ccccc1)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000833385523 604525151 /nfs/dbraw/zinc/52/51/51/604525151.db2.gz HBMHHFHCRWXVMQ-LCYFTJDESA-N -1 1 299.370 3.822 20 0 CHADMM CCc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000833669854 604645445 /nfs/dbraw/zinc/64/54/45/604645445.db2.gz HHHCWPAPBWLHLP-HNNXBMFYSA-N -1 1 289.400 3.568 20 0 CHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000234025887 605066150 /nfs/dbraw/zinc/06/61/50/605066150.db2.gz GXOOSVJZPDPHIW-AWEZNQCLSA-N -1 1 273.332 3.527 20 0 CHADMM O=C([O-])Nc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000834267860 605600335 /nfs/dbraw/zinc/60/03/35/605600335.db2.gz CKRJQTPCLNNYHW-INIZCTEOSA-N -1 1 297.358 3.509 20 0 CHADMM C[C@@H](c1ccccc1F)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000062015315 948948745 /nfs/dbraw/zinc/94/87/45/948948745.db2.gz RQUAWPOBAFPALJ-LBPRGKRZSA-N -1 1 287.334 3.717 20 0 CHADMM Cc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])ccc1F ZINC000231030686 960183533 /nfs/dbraw/zinc/18/35/33/960183533.db2.gz MATUMFSITCGJMN-GFCCVEGCSA-N -1 1 287.334 3.683 20 0 CHADMM Cc1oc(CN[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000236011658 960547104 /nfs/dbraw/zinc/54/71/04/960547104.db2.gz PVYSNOHABIYUNC-ZDUSSCGKSA-N -1 1 291.372 3.515 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231456016 960605232 /nfs/dbraw/zinc/60/52/32/960605232.db2.gz HMTCYTBMEQNQHY-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1cccc([C@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000212107497 967688091 /nfs/dbraw/zinc/68/80/91/967688091.db2.gz MUMRFGNAXMICEJ-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM CSc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000435685041 974097921 /nfs/dbraw/zinc/09/79/21/974097921.db2.gz NDUOKCBKSOCCDY-UHFFFAOYSA-N -1 1 284.340 3.650 20 0 CHADMM Cc1oc(CN(C)[C@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000580202183 974890425 /nfs/dbraw/zinc/89/04/25/974890425.db2.gz VVYZDKWEHPTBKL-SNVBAGLBSA-N -1 1 291.322 3.618 20 0 CHADMM O=C([O-])c1ccc(CNC2(c3ccccc3F)CCC2)cc1 ZINC000647466025 975365332 /nfs/dbraw/zinc/36/53/32/975365332.db2.gz HQFJFOHZDKJLNT-UHFFFAOYSA-N -1 1 299.345 3.693 20 0 CHADMM Cc1cc(C)cc([C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902233935 980793953 /nfs/dbraw/zinc/79/39/53/980793953.db2.gz FUQWMYPKNMPQDV-LMVHVUTASA-N -1 1 299.370 3.845 20 0 CHADMM CCc1oc(CNC(C)(C)c2cccs2)cc1C(=O)[O-] ZINC000902259183 980804481 /nfs/dbraw/zinc/80/44/81/980804481.db2.gz OPPMMRXMHORULV-UHFFFAOYSA-N -1 1 293.388 3.627 20 0 CHADMM CCc1ccc(C)nc1N[C@H](C)CC(C)(C)CC(=O)[O-] ZINC001597513767 988116176 /nfs/dbraw/zinc/11/61/76/988116176.db2.gz ABNAAQMGYATXSU-GFCCVEGCSA-N -1 1 278.396 3.644 20 0 CHADMM C[C@H](c1ccc(F)cc1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593697802 996157904 /nfs/dbraw/zinc/15/79/04/996157904.db2.gz PQLNHWASUUFGMY-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM CSc1ccc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001175655485 1121422029 /nfs/dbraw/zinc/42/20/29/1121422029.db2.gz KEHSCWRTGSRZML-UHFFFAOYSA-N -1 1 268.288 3.531 20 0 CHADMM CCC[C@H](Oc1cc([O-])cc(O)c1C(C)=O)[C@@H](C)CC ZINC001225678838 1122255576 /nfs/dbraw/zinc/25/55/76/1122255576.db2.gz KZFOXWHDFMFPQR-HZMBPMFUSA-N -1 1 280.364 3.894 20 0 CHADMM COc1ccc(N)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232792 1122378367 /nfs/dbraw/zinc/37/83/67/1122378367.db2.gz FGHXHAUABIHFNP-UHFFFAOYSA-N -1 1 282.702 3.519 20 0 CHADMM O=C(Nc1cc(F)cc(F)c1[O-])OC1CCCCC1 ZINC001193641628 1122704095 /nfs/dbraw/zinc/70/40/95/1122704095.db2.gz FKWDMYHFNWLMOQ-UHFFFAOYSA-N -1 1 271.263 3.552 20 0 CHADMM C/C(=C/C(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000837086649 1122938187 /nfs/dbraw/zinc/93/81/87/1122938187.db2.gz QJKFUHVBFWBAQH-FPLPWBNLSA-N -1 1 269.291 3.601 20 0 CHADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000042355434 1123785299 /nfs/dbraw/zinc/78/52/99/1123785299.db2.gz AQCAGUPVMZUTNC-CMPLNLGQSA-N -1 1 281.783 3.696 20 0 CHADMM [O-]c1cc(CN2CCCC[C@@H]2C(F)(F)F)ccc1Cl ZINC001231734197 1132351100 /nfs/dbraw/zinc/35/11/00/1132351100.db2.gz RKNBRUXDXXKZJT-GFCCVEGCSA-N -1 1 293.716 3.962 20 0 CHADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001173852108 1132555987 /nfs/dbraw/zinc/55/59/87/1132555987.db2.gz COQYOUWTFBGHIO-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)cc1F ZINC001173926919 1132598852 /nfs/dbraw/zinc/59/88/52/1132598852.db2.gz WFFVJCXQHKIBMU-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CO[C@H](C)CCOc1cc(Cl)c([O-])cc1Cl ZINC001227641412 1135852030 /nfs/dbraw/zinc/85/20/30/1135852030.db2.gz NLCWEBNMGREOPE-SSDOTTSWSA-N -1 1 265.136 3.503 20 0 CHADMM C/C(=C(/F)C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885680144 1125620716 /nfs/dbraw/zinc/62/07/16/1125620716.db2.gz MQFPBEBZVOZJNK-SDQBBNPISA-N -1 1 287.693 3.777 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000110325285 1125628936 /nfs/dbraw/zinc/62/89/36/1125628936.db2.gz KBOYTLBIZBXGNV-GHMZBOCLSA-N -1 1 281.783 3.602 20 0 CHADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000110325415 1125629549 /nfs/dbraw/zinc/62/95/49/1125629549.db2.gz IHVWLSZZWNMJRR-CQSZACIVSA-N -1 1 289.762 3.927 20 0 CHADMM CCCc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000100217463 1129653794 /nfs/dbraw/zinc/65/37/94/1129653794.db2.gz RIAHUHJVXHEKDQ-UHFFFAOYSA-N -1 1 270.254 3.598 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001202767355 1126771306 /nfs/dbraw/zinc/77/13/06/1126771306.db2.gz CBXJDDLQUQUKSX-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CC(C)N(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000668223950 1126774167 /nfs/dbraw/zinc/77/41/67/1126774167.db2.gz YWXHREHDRVJCAC-UHFFFAOYSA-N -1 1 298.386 3.734 20 0 CHADMM Cc1cnc(SCc2ccccc2OC(C)C)[n-]c1=O ZINC000568270796 1126797515 /nfs/dbraw/zinc/79/75/15/1126797515.db2.gz SGLYPRXBHFFOHX-UHFFFAOYSA-N -1 1 290.388 3.570 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC001136200509 1131238179 /nfs/dbraw/zinc/23/81/79/1131238179.db2.gz ZZMWGEHZUCHPFQ-FFSVYQOJSA-N -1 1 291.366 3.572 20 0 CHADMM CSc1ccc([O-])c(-c2nc(-c3cccs3)no2)c1 ZINC000904277801 1126842739 /nfs/dbraw/zinc/84/27/39/1126842739.db2.gz UDVBQJGWALMMKD-UHFFFAOYSA-N -1 1 290.369 3.893 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC=CCCC1 ZINC000907139653 1126973322 /nfs/dbraw/zinc/97/33/22/1126973322.db2.gz LGLRTUKVNWXEIY-LLVKDONJSA-N -1 1 263.312 3.606 20 0 CHADMM CC1(C)CC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908710978 1127012591 /nfs/dbraw/zinc/01/25/91/1127012591.db2.gz NLAUQJJTGGMJNY-QMMMGPOBSA-N -1 1 298.180 3.529 20 0 CHADMM CC1(C)CC(C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908706923 1127013049 /nfs/dbraw/zinc/01/30/49/1127013049.db2.gz BGHSAWOCHQXBHM-UHFFFAOYSA-N -1 1 298.180 3.529 20 0 CHADMM CC(C(=O)Nc1cccc([O-])c1Br)=C1CCC1 ZINC000908707087 1127013425 /nfs/dbraw/zinc/01/34/25/1127013425.db2.gz HFGQJRXMSYQCGM-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM CC1CCC(=CC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909980544 1127042652 /nfs/dbraw/zinc/04/26/52/1127042652.db2.gz AOTXPBRONIBOOI-UHFFFAOYSA-N -1 1 281.302 3.745 20 0 CHADMM Cc1oc(C(C)C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987248 1127042731 /nfs/dbraw/zinc/04/27/31/1127042731.db2.gz NHSMLDRFGXUYBD-UHFFFAOYSA-N -1 1 295.285 3.948 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCC[C@H]1C1CC1 ZINC000909987957 1127044077 /nfs/dbraw/zinc/04/40/77/1127044077.db2.gz OZCBBZZPBLBHIW-WDEREUQCSA-N -1 1 295.329 3.825 20 0 CHADMM CC(C)C[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348847647 1127131470 /nfs/dbraw/zinc/13/14/70/1127131470.db2.gz KVVDDAXABIHROC-NSHDSACASA-N -1 1 297.345 3.569 20 0 CHADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000571690510 1127164526 /nfs/dbraw/zinc/16/45/26/1127164526.db2.gz DJPXSIISVSNJKB-MRVPVSSYSA-N -1 1 282.315 3.973 20 0 CHADMM CC(C)C[C@@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000590104240 1127248459 /nfs/dbraw/zinc/24/84/59/1127248459.db2.gz SXGFBTHJOSCGRE-LLVKDONJSA-N -1 1 291.420 3.571 20 0 CHADMM CC[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238149119 1131175197 /nfs/dbraw/zinc/17/51/97/1131175197.db2.gz FZWWOPCJCNUEGZ-SNVBAGLBSA-N -1 1 257.736 3.559 20 0 CHADMM CCC[C@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354371749 1127305928 /nfs/dbraw/zinc/30/59/28/1127305928.db2.gz JOCJZVPOMDAENY-NSHDSACASA-N -1 1 287.363 3.547 20 0 CHADMM CCCC[C@@H](OCCCC[P@](=O)([O-])O)[C@H](C)CCC ZINC001225018674 1127320430 /nfs/dbraw/zinc/32/04/30/1127320430.db2.gz DXMVFRKLIYIVGP-ZIAGYGMSSA-N -1 1 294.372 3.956 20 0 CHADMM CCc1nc([C@@H](C)NCc2cccc([O-])c2Cl)cs1 ZINC000293728312 1127516037 /nfs/dbraw/zinc/51/60/37/1127516037.db2.gz ZBPKUPBUGDOIEI-SECBINFHSA-N -1 1 296.823 3.915 20 0 CHADMM CC(C)COC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000295517422 1127645298 /nfs/dbraw/zinc/64/52/98/1127645298.db2.gz ZQPDNFDODAUJRV-UHFFFAOYSA-N -1 1 297.826 3.683 20 0 CHADMM CC(C)(C)C(=O)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000295640305 1127649214 /nfs/dbraw/zinc/64/92/14/1127649214.db2.gz YEOAHANQTWGAJK-UHFFFAOYSA-N -1 1 297.782 3.770 20 0 CHADMM COc1c(C)cc(/C=C/C(=O)c2ccc([O-])cc2)cc1C ZINC000063274731 1127808807 /nfs/dbraw/zinc/80/88/07/1127808807.db2.gz WSNWANUXEJIMEP-RUDMXATFSA-N -1 1 282.339 3.914 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc(F)c1Cl ZINC000608365850 1127863143 /nfs/dbraw/zinc/86/31/43/1127863143.db2.gz SYIHQCBISVFYLP-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@H]1CCC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000608366302 1127863150 /nfs/dbraw/zinc/86/31/50/1127863150.db2.gz QTMGYLWZZIQANM-QWRGUYRKSA-N -1 1 265.328 3.686 20 0 CHADMM CC[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001298058372 1127972002 /nfs/dbraw/zinc/97/20/02/1127972002.db2.gz IHRAYXUWGXCWNJ-OLZOCXBDSA-N -1 1 295.810 3.531 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000928785583 1128249359 /nfs/dbraw/zinc/24/93/59/1128249359.db2.gz AUDGXECEEFQURN-UHFFFAOYSA-N -1 1 298.264 3.776 20 0 CHADMM O=C(NCC1CCCCCCC1)c1ccc([O-])cc1F ZINC000777796478 1128277707 /nfs/dbraw/zinc/27/77/07/1128277707.db2.gz IEWZIGKPBXAKAR-UHFFFAOYSA-N -1 1 279.355 3.622 20 0 CHADMM CCc1ccc([C@@H](C)C(=O)[N-]OC2CCCCC2)cc1 ZINC000777956951 1128348454 /nfs/dbraw/zinc/34/84/54/1128348454.db2.gz APFBJLSIFKWVEN-CYBMUJFWSA-N -1 1 275.392 3.733 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)s1 ZINC000032531824 1128391544 /nfs/dbraw/zinc/39/15/44/1128391544.db2.gz CASKLDNQAUFQSV-UHFFFAOYSA-N -1 1 295.429 3.783 20 0 CHADMM C[C@@H](C1CC1)N(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000127549182 1128479642 /nfs/dbraw/zinc/47/96/42/1128479642.db2.gz YIRNCBKKMFKYOR-LBPRGKRZSA-N -1 1 295.382 3.949 20 0 CHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000564064490 1128492542 /nfs/dbraw/zinc/49/25/42/1128492542.db2.gz QLMNMWVTCTYXAZ-QHHAFSJGSA-N -1 1 273.357 3.521 20 0 CHADMM Cc1c(Cl)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128592126 1128505912 /nfs/dbraw/zinc/50/59/12/1128505912.db2.gz MQWXZVZVBYPZRU-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM Cc1cnc(S[C@H](C)c2ncc(C(C)(C)C)o2)[n-]c1=O ZINC000570698988 1128629488 /nfs/dbraw/zinc/62/94/88/1128629488.db2.gz MZNWCGLFJUEBRI-SECBINFHSA-N -1 1 293.392 3.629 20 0 CHADMM Cc1ccsc1CN(C)[C@H](C(=O)[O-])c1ccccc1C ZINC000572609292 1128645975 /nfs/dbraw/zinc/64/59/75/1128645975.db2.gz JSTRRHJLEWRYNZ-HNNXBMFYSA-N -1 1 289.400 3.623 20 0 CHADMM Cc1cnc(SCc2ccc(C(C)C)nc2C)[n-]c1=O ZINC000573459537 1128654532 /nfs/dbraw/zinc/65/45/32/1128654532.db2.gz IOWUNASBZQKRMV-UHFFFAOYSA-N -1 1 289.404 3.610 20 0 CHADMM CCc1nc(SCCCC(C)C)[n-]c(=O)c1C ZINC000578381061 1128716362 /nfs/dbraw/zinc/71/63/62/1128716362.db2.gz NAOKVLHODYKJBP-UHFFFAOYSA-N -1 1 254.399 3.581 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)s1 ZINC000683591931 1118204561 /nfs/dbraw/zinc/20/45/61/1118204561.db2.gz FFQSMRFZINVQEX-UHFFFAOYSA-N -1 1 290.319 3.927 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCC1 ZINC000683592110 1118205128 /nfs/dbraw/zinc/20/51/28/1118205128.db2.gz LXUVHGHHCULMIW-SECBINFHSA-N -1 1 276.311 3.875 20 0 CHADMM Cc1ccc2sc(NC(=O)c3ccccc3[O-])nc2c1C ZINC001648817583 1118229852 /nfs/dbraw/zinc/22/98/52/1118229852.db2.gz JRFFNCNLQQYDQT-UHFFFAOYSA-N -1 1 298.367 3.871 20 0 CHADMM COc1cc(OC)cc(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343427 1118243393 /nfs/dbraw/zinc/24/33/93/1118243393.db2.gz XWPKYUQROCJQSK-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM Cc1ccc(C(F)(F)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001648850330 1118254259 /nfs/dbraw/zinc/25/42/59/1118254259.db2.gz GZPCXFXQDCSLID-UHFFFAOYSA-N -1 1 295.260 3.570 20 0 CHADMM COc1cc(F)c(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001210548141 1118323270 /nfs/dbraw/zinc/32/32/70/1118323270.db2.gz DUMRFQHQQAZQAB-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CC(C)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000109037175 1118328468 /nfs/dbraw/zinc/32/84/68/1118328468.db2.gz MKSSAWSOVLRLOV-UHFFFAOYSA-N -1 1 254.289 3.719 20 0 CHADMM C[C@@H](O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001210647846 1118358319 /nfs/dbraw/zinc/35/83/19/1118358319.db2.gz AAIQBIOPFJODCD-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM C[C@H](CCCC(C)(C)C(=O)[O-])NCC(F)(F)C(C)(C)C ZINC000902469970 1118361385 /nfs/dbraw/zinc/36/13/85/1118361385.db2.gz DFAVUAHEWVHPQR-LLVKDONJSA-N -1 1 293.398 3.927 20 0 CHADMM CC1=CC[C@](C)(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000616102160 1128775875 /nfs/dbraw/zinc/77/58/75/1128775875.db2.gz YAMQZBLGTUDEAV-HNNXBMFYSA-N -1 1 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287.212 3.701 20 0 CHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000417570123 1120458100 /nfs/dbraw/zinc/45/81/00/1120458100.db2.gz MJKUNPFELCHBOQ-MRXNPFEDSA-N -1 1 287.359 3.709 20 0 CHADMM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1[O-] ZINC000062664292 1120463275 /nfs/dbraw/zinc/46/32/75/1120463275.db2.gz BQVDJIPCQPNARS-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM Cc1cc(C)nc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000317943315 1120520084 /nfs/dbraw/zinc/52/00/84/1120520084.db2.gz RIZWRKQDLVOGNJ-UHFFFAOYSA-N -1 1 292.338 3.810 20 0 CHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000432202568 1120679422 /nfs/dbraw/zinc/67/94/22/1120679422.db2.gz KETZDMIUWFDSIS-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCc1c(C(C)C)[n-]n([C@H](C)c2ccccc2)c1=O ZINC000634599111 1128934716 /nfs/dbraw/zinc/93/47/16/1128934716.db2.gz APZFRZZCKVUBKC-OCCSQVGLSA-N -1 1 258.365 3.628 20 0 CHADMM CN(CCCCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000652410651 1120857841 /nfs/dbraw/zinc/85/78/41/1120857841.db2.gz 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1121673765 /nfs/dbraw/zinc/67/37/65/1121673765.db2.gz CIHMKGMDUXIUBQ-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM Cn1nc(C(C)(C)C)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663208 1121678640 /nfs/dbraw/zinc/67/86/40/1121678640.db2.gz DOMCFWOQKCOOMB-UHFFFAOYSA-N -1 1 299.296 3.584 20 0 CHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993117 1121705009 /nfs/dbraw/zinc/70/50/09/1121705009.db2.gz BSHUYFZNNQTZEK-NWDGAFQWSA-N -1 1 295.810 3.734 20 0 CHADMM CCC(CC)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000345588811 1121895489 /nfs/dbraw/zinc/89/54/89/1121895489.db2.gz RUCIRJZQGLPMGJ-UHFFFAOYSA-N -1 1 287.363 3.547 20 0 CHADMM CCc1cccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958472 1121959810 /nfs/dbraw/zinc/95/98/10/1121959810.db2.gz MZDYYHKDXKRQEZ-UHFFFAOYSA-N -1 1 268.238 3.511 20 0 CHADMM CC(C)(C)c1nccc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249961858 1121970439 /nfs/dbraw/zinc/97/04/39/1121970439.db2.gz XGTAJQRMWOWDMX-UHFFFAOYSA-N -1 1 297.280 3.641 20 0 CHADMM CC(C)[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]1C(C)C ZINC001181752727 1122073487 /nfs/dbraw/zinc/07/34/87/1122073487.db2.gz JUCOJSISBMXSHN-LRDDRELGSA-N -1 1 283.362 3.783 20 0 CHADMM COc1ccc(OC)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022033 1122081209 /nfs/dbraw/zinc/08/12/09/1122081209.db2.gz DHPBSJSOHMUTGG-UHFFFAOYSA-N -1 1 297.713 3.946 20 0 CHADMM CCN(Cc1occc1C)Cc1cccc([O-])c1Cl ZINC000414544501 1122147875 /nfs/dbraw/zinc/14/78/75/1122147875.db2.gz CZSFYBQQEZSUOI-UHFFFAOYSA-N -1 1 279.767 3.969 20 0 CHADMM [O-]c1cc(Cc2cc(F)ccc2F)c(F)c(F)c1F ZINC001250093991 1122194428 /nfs/dbraw/zinc/19/44/28/1122194428.db2.gz UYSZUAPSLQPMQN-UHFFFAOYSA-N -1 1 274.188 3.679 20 0 CHADMM CC(C)(C)c1csc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC001183054262 1122203422 /nfs/dbraw/zinc/20/34/22/1122203422.db2.gz IONOJJLDYKPYKD-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM C[C@@H](NC(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001185013820 1122306713 /nfs/dbraw/zinc/30/67/13/1122306713.db2.gz WKEBSKSOOBZWCZ-SECBINFHSA-N -1 1 292.285 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1122590979 /nfs/dbraw/zinc/59/09/79/1122590979.db2.gz KYMHZGQAYIKKGY-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM [O-]c1ccc(-c2noc(-c3sccc3Cl)n2)cc1F ZINC000436881725 1122591292 /nfs/dbraw/zinc/59/12/92/1122591292.db2.gz YBTGCVIOFAONSU-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM CC(C)[C@]1(C)C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877510 1122591342 /nfs/dbraw/zinc/59/13/42/1122591342.db2.gz GYNIGAYHHRAZAB-BONVTDFDSA-N -1 1 276.311 3.731 20 0 CHADMM O=C(c1ccc([O-])cc1F)N(CC1CCC1)c1ccccc1 ZINC000436881311 1122591411 /nfs/dbraw/zinc/59/14/11/1122591411.db2.gz SANYWVCGHFUNGR-UHFFFAOYSA-N -1 1 299.345 3.978 20 0 CHADMM CC(C)[C@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436877430 1122591556 /nfs/dbraw/zinc/59/15/56/1122591556.db2.gz GJGNGGMUKSKVJT-NHYWBVRUSA-N -1 1 276.311 3.731 20 0 CHADMM O=C(c1ccc([O-])cc1F)N(CC1CCCCC1)C1CC1 ZINC000436879074 1122591716 /nfs/dbraw/zinc/59/17/16/1122591716.db2.gz IIPUQXZSXNBQRH-UHFFFAOYSA-N -1 1 291.366 3.716 20 0 CHADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)C1=CCCCC1 ZINC000436939112 1122596891 /nfs/dbraw/zinc/59/68/91/1122596891.db2.gz MFSQVEKNVWVJFL-UHFFFAOYSA-N -1 1 291.366 3.788 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001191410477 1122597358 /nfs/dbraw/zinc/59/73/58/1122597358.db2.gz HTKWHJRIWWTWCY-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1CC1CCC1 ZINC000620569385 1129065476 /nfs/dbraw/zinc/06/54/76/1129065476.db2.gz VOEYMVGIHPAHTH-CQSZACIVSA-N -1 1 291.366 3.716 20 0 CHADMM CC(C)(C)c1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)c([O-])c1 ZINC001192315000 1122638211 /nfs/dbraw/zinc/63/82/11/1122638211.db2.gz WRGBIXMBEMENIU-UHFFFAOYSA-N -1 1 299.374 3.543 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC2(CCCC2)C1 ZINC000438686679 1122718005 /nfs/dbraw/zinc/71/80/05/1122718005.db2.gz DMWXEQWSLCMACU-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM CCCCCOC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001193768857 1122719533 /nfs/dbraw/zinc/71/95/33/1122719533.db2.gz SHOSIXCVDYZRCH-UHFFFAOYSA-N -1 1 275.707 3.923 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Oc1ccccc1 ZINC001194251066 1122761682 /nfs/dbraw/zinc/76/16/82/1122761682.db2.gz GXEURWMGYZVTGF-UHFFFAOYSA-N -1 1 263.680 3.657 20 0 CHADMM CC[C@@H](C)COC(=O)Nc1ccc(Cl)cc1[O-] ZINC001194806677 1122806332 /nfs/dbraw/zinc/80/63/32/1122806332.db2.gz LWSNNSPEXXSDGZ-MRVPVSSYSA-N -1 1 257.717 3.640 20 0 CHADMM CCC(C)(C)[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633612912 1129079750 /nfs/dbraw/zinc/07/97/50/1129079750.db2.gz RPWJFNBYEUOHIH-SNVBAGLBSA-N -1 1 283.799 3.529 20 0 CHADMM CC[C@H](C)OC(=O)Nc1ccc([O-])c(Br)c1 ZINC001195116236 1122843823 /nfs/dbraw/zinc/84/38/23/1122843823.db2.gz MLXCUUCWDNUYGX-ZETCQYMHSA-N -1 1 288.141 3.502 20 0 CHADMM COc1cccc(CN(C)Cc2cccc([O-])c2Cl)c1 ZINC000506931537 1122913692 /nfs/dbraw/zinc/91/36/92/1122913692.db2.gz XATMUZOHPNLLOC-UHFFFAOYSA-N -1 1 291.778 3.686 20 0 CHADMM [O-]c1cc(-c2nc3cc(F)ccc3[nH]2)ccc1Cl ZINC001251036989 1122933174 /nfs/dbraw/zinc/93/31/74/1122933174.db2.gz OWDHNBSBCPIAQO-UHFFFAOYSA-N -1 1 262.671 3.728 20 0 CHADMM [O-]c1cc(NC(=S)Nc2cccc(F)c2)c(F)cc1F ZINC001197641081 1122963178 /nfs/dbraw/zinc/96/31/78/1122963178.db2.gz NWWYFGMVRYSCSA-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001197934243 1122973991 /nfs/dbraw/zinc/97/39/91/1122973991.db2.gz PIZRRFKDYYPLOR-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000154772204 1129091999 /nfs/dbraw/zinc/09/19/99/1129091999.db2.gz ZHMRELQPRNVJPQ-MRXNPFEDSA-N -1 1 287.334 3.658 20 0 CHADMM CCC[C@H](OC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664896601 1122998600 /nfs/dbraw/zinc/99/86/00/1122998600.db2.gz UPMLMUSUSOEXMO-LBPRGKRZSA-N -1 1 294.376 3.652 20 0 CHADMM C=Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198863365 1123013948 /nfs/dbraw/zinc/01/39/48/1123013948.db2.gz ZHDKVYBSGIRLQG-UHFFFAOYSA-N -1 1 299.351 3.877 20 0 CHADMM CC[C@H](C)CN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000093263916 1123066867 /nfs/dbraw/zinc/06/68/67/1123066867.db2.gz RXRHBVJPKVPOTE-JTQLQIEISA-N 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/nfs/dbraw/zinc/12/80/24/1129128024.db2.gz KLPZMWHOOMOYQF-UHFFFAOYSA-N -1 1 293.413 3.735 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCC(F)CC1 ZINC000856080757 1123546601 /nfs/dbraw/zinc/54/66/01/1123546601.db2.gz OCIAZXKBQXRPTB-KPPDAEKUSA-N -1 1 299.773 3.692 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N(CCC1CC1)CC1CC1 ZINC000856284044 1123555416 /nfs/dbraw/zinc/55/54/16/1123555416.db2.gz WLDVGAPVKNAAKN-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OC2CCCC2)cc1 ZINC000857480728 1123602110 /nfs/dbraw/zinc/60/21/10/1123602110.db2.gz NROGDJZPGSQUNV-AWEZNQCLSA-N -1 1 289.419 3.979 20 0 CHADMM CC(C)(C)c1cccc(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC000858314355 1123643463 /nfs/dbraw/zinc/64/34/63/1123643463.db2.gz ZDKVWOAQRRRYQE-UHFFFAOYSA-N -1 1 278.739 3.925 20 0 CHADMM CC(C)CCN(CCC(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858342865 1123646440 /nfs/dbraw/zinc/64/64/40/1123646440.db2.gz UACPLPNTQNEVJV-UHFFFAOYSA-N -1 1 285.819 3.734 20 0 CHADMM CC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 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1129797536 /nfs/dbraw/zinc/79/75/36/1129797536.db2.gz OXJAYQMEVJLOET-UHFFFAOYSA-N -1 1 292.718 3.508 20 0 CHADMM CCCCN(C(=O)c1ccc([O-])c(F)c1)[C@H](C)CC ZINC000768032338 1129825653 /nfs/dbraw/zinc/82/56/53/1129825653.db2.gz BKZXXAXDWXMVEJ-LLVKDONJSA-N -1 1 267.344 3.572 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccsc1 ZINC000801436661 1129915755 /nfs/dbraw/zinc/91/57/55/1129915755.db2.gz PBBHOMADLFZMRQ-QMMMGPOBSA-N -1 1 281.764 3.598 20 0 CHADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769767536 1129922629 /nfs/dbraw/zinc/92/26/29/1129922629.db2.gz PBKAHEVFSZVYNH-LBPRGKRZSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c([O-])cccc1Cl ZINC000769868008 1129926554 /nfs/dbraw/zinc/92/65/54/1129926554.db2.gz CFOCGXLJSKYBLB-NTZNESFSSA-N -1 1 293.794 3.839 20 0 CHADMM CC(C)CN(CC(C)C)C(=O)c1c([O-])cccc1Cl ZINC000769843586 1129928779 /nfs/dbraw/zinc/92/87/79/1129928779.db2.gz OFCFNSCFGYMIOZ-UHFFFAOYSA-N -1 1 283.799 3.800 20 0 CHADMM 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3.633 20 0 CHADMM CN(C)Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1F ZINC001240550714 1130353855 /nfs/dbraw/zinc/35/38/55/1130353855.db2.gz MDBZDRGQOFFDAZ-RMKNXTFCSA-N -1 1 299.345 3.652 20 0 CHADMM CC(=O)Nc1cc(F)c(-c2ccc([O-])c(F)c2F)cc1C ZINC001243342756 1130387044 /nfs/dbraw/zinc/38/70/44/1130387044.db2.gz SLRUGXYXTIZLOZ-UHFFFAOYSA-N -1 1 295.260 3.743 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(OCc2ccccc2)n1 ZINC001240693820 1130421005 /nfs/dbraw/zinc/42/10/05/1130421005.db2.gz ZOEDAJNAIPVIPO-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM COc1ccc2cc(-c3cc(F)ccc3[O-])ncc2c1 ZINC001240694233 1130421142 /nfs/dbraw/zinc/42/11/42/1130421142.db2.gz RPZSTODKHMDJNN-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM CSc1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240696200 1130422257 /nfs/dbraw/zinc/42/22/57/1130422257.db2.gz GTYVTHHJOUCXEN-UHFFFAOYSA-N -1 1 286.331 3.863 20 0 CHADMM COc1cc2ccnc(-c3cc(F)ccc3[O-])c2cc1F ZINC001240696227 1130422323 /nfs/dbraw/zinc/42/23/23/1130422323.db2.gz IPRAOMMNIDJVIT-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(COCC2CC2)cn1 ZINC001240695323 1130422580 /nfs/dbraw/zinc/42/25/80/1130422580.db2.gz HOFPBNVJYBEGSF-UHFFFAOYSA-N -1 1 273.307 3.520 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc2c3c([nH]c21)CCCC3 ZINC001240696233 1130422861 /nfs/dbraw/zinc/42/28/61/1130422861.db2.gz IXOAWDYKMOPUBV-UHFFFAOYSA-N -1 1 282.318 3.953 20 0 CHADMM [O-]c1ccc(-c2nccc(C(F)(F)F)c2F)cc1F ZINC001240783479 1130467923 /nfs/dbraw/zinc/46/79/23/1130467923.db2.gz SIPLNXNWHFUELW-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(-c2cnc(OCc3ccccc3)cn2)cc1F ZINC001240781972 1130468479 /nfs/dbraw/zinc/46/84/79/1130468479.db2.gz NGYJCHJPTCSEJK-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM [O-]c1ccc(-c2ncncc2-c2ccccc2)cc1F ZINC001240783076 1130468605 /nfs/dbraw/zinc/46/86/05/1130468605.db2.gz PEOGOHZQNDNITL-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(-c2nccc(Oc3ccccc3)n2)cc1F ZINC001240783158 1130469051 /nfs/dbraw/zinc/46/90/51/1130469051.db2.gz MXDDZIDEHKRFRQ-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1cc(F)c(F)c(F)c1F ZINC001243501899 1130515173 /nfs/dbraw/zinc/51/51/73/1130515173.db2.gz FUZZGZZPVDRLLH-UHFFFAOYSA-N -1 1 278.151 3.894 20 0 CHADMM CCOC(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505395 1130516534 /nfs/dbraw/zinc/51/65/34/1130516534.db2.gz REAMLYAGQOWJFJ-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM COc1c(F)ccc(-c2cc(F)cc(F)c2[O-])c1F ZINC001243505957 1130518531 /nfs/dbraw/zinc/51/85/31/1130518531.db2.gz NKACWCORFLDXDY-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccnc2ccccc21 ZINC001243504611 1130518550 /nfs/dbraw/zinc/51/85/50/1130518550.db2.gz SLZSAJRBDKODGL-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1c(F)cc(-c2cc(F)cc(F)c2[O-])cc1F ZINC001243506176 1130518959 /nfs/dbraw/zinc/51/89/59/1130518959.db2.gz ZBSUJPNSEUMSOL-UHFFFAOYSA-N -1 1 256.198 3.924 20 0 CHADMM COc1cc(C)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780951782 1130695802 /nfs/dbraw/zinc/69/58/02/1130695802.db2.gz IZIUMEXVLIJTSE-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM CCc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1O ZINC000780992488 1130697756 /nfs/dbraw/zinc/69/77/56/1130697756.db2.gz XQQPFOWQHIJLDY-UHFFFAOYSA-N -1 1 291.734 3.566 20 0 CHADMM CN(C)Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1F ZINC001235670275 1130763706 /nfs/dbraw/zinc/76/37/06/1130763706.db2.gz OYVBHDDETJZLPX-BJMVGYQFSA-N -1 1 299.345 3.652 20 0 CHADMM CC(C)Oc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049598 1130773535 /nfs/dbraw/zinc/77/35/35/1130773535.db2.gz ZIKKZFUQURYUMM-UHFFFAOYSA-N -1 1 263.724 3.895 20 0 CHADMM Oc1c(F)cc(F)c(-c2ccc([S-])cc2F)c1F ZINC001235997792 1130826480 /nfs/dbraw/zinc/82/64/80/1130826480.db2.gz SVRIICDCNCIEKT-UHFFFAOYSA-N -1 1 274.238 3.904 20 0 CHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739960 1130860686 /nfs/dbraw/zinc/86/06/86/1130860686.db2.gz QUFSKJCEKNMTLK-YOWGUQMCSA-N -1 1 297.402 3.733 20 0 CHADMM Cc1c(Cl)c(-c2ccc3cncn3c2)ccc1C(=O)[O-] ZINC001236120673 1130869298 /nfs/dbraw/zinc/86/92/98/1130869298.db2.gz NYADZQKRVUXRLD-UHFFFAOYSA-N -1 1 286.718 3.661 20 0 CHADMM Cc1ccc2ncc(-c3c(F)ccc(C)c3[O-])nc2c1 ZINC001236391358 1130924900 /nfs/dbraw/zinc/92/49/00/1130924900.db2.gz MKJRQLLINVKDJL-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2ccc(OC(C)C)cn2)c1[O-] ZINC001236392422 1130926800 /nfs/dbraw/zinc/92/68/00/1130926800.db2.gz PFDGROBSIPWJMY-UHFFFAOYSA-N -1 1 261.296 3.689 20 0 CHADMM Cc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001135498688 1131074233 /nfs/dbraw/zinc/07/42/33/1131074233.db2.gz QYHAUMKFJPZTTM-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM Cc1cc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)no1 ZINC000816488114 1131100034 /nfs/dbraw/zinc/10/00/34/1131100034.db2.gz IXHVUQRUYTYHBX-ZDUSSCGKSA-N -1 1 292.766 3.679 20 0 CHADMM [O-]c1cccc(F)c1-c1c(F)c(F)c(F)c(F)c1F ZINC001245653713 1131105474 /nfs/dbraw/zinc/10/54/74/1131105474.db2.gz OTRIEISMSZTXFR-UHFFFAOYSA-N -1 1 278.151 3.894 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2c([O-])cccc2Cl)CC1(C)C ZINC000817218081 1131147479 /nfs/dbraw/zinc/14/74/79/1131147479.db2.gz QHJAYTWRHGNUJE-CYBMUJFWSA-N -1 1 281.783 3.552 20 0 CHADMM C[C@@H]1CCC[C@H](C)N1Cc1cc(Cl)c([O-])cc1F ZINC001238144585 1131173698 /nfs/dbraw/zinc/17/36/98/1131173698.db2.gz WBXDGWTYMQZXCJ-AOOOYVTPSA-N -1 1 271.763 3.948 20 0 CHADMM Cc1ccc(-c2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001245831355 1131201130 /nfs/dbraw/zinc/20/11/30/1131201130.db2.gz KEVXFELTFCXFQS-UHFFFAOYSA-N -1 1 251.688 3.864 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC001136701685 1131422582 /nfs/dbraw/zinc/42/25/82/1131422582.db2.gz JRJUCFFNYSVNJW-VXGBXAGGSA-N -1 1 295.810 3.990 20 0 CHADMM CCC(F)(F)C(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000831799691 1131508621 /nfs/dbraw/zinc/50/86/21/1131508621.db2.gz LIBFGKHLHQUKHY-SSDOTTSWSA-N -1 1 275.261 3.515 20 0 CHADMM CCc1cccc(NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001202884597 1131568114 /nfs/dbraw/zinc/56/81/14/1131568114.db2.gz GCKCLMPTNIAAGW-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCc1cccc(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001202884496 1131569032 /nfs/dbraw/zinc/56/90/32/1131569032.db2.gz BTXRYWBHLGZZHH-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM CCc1cccc(NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001202886040 1131570708 /nfs/dbraw/zinc/57/07/08/1131570708.db2.gz PPWFBHLWZAQQOB-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCc1cccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001202887595 1131574415 /nfs/dbraw/zinc/57/44/15/1131574415.db2.gz YFCCDEIGHMPREE-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM [O-]c1cccc(CNc2cc(Cl)ccn2)c1Cl ZINC001202920847 1131601787 /nfs/dbraw/zinc/60/17/87/1131601787.db2.gz BJXALRBOUXJPRY-UHFFFAOYSA-N -1 1 269.131 3.706 20 0 CHADMM CN(Cc1cccc(Cl)c1)Cc1c(F)cc([O-])cc1F ZINC001144553529 1131655004 /nfs/dbraw/zinc/65/50/04/1131655004.db2.gz GVGPXDWVNARVKC-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM [O-]c1cc(F)c(CN2CC[C@H]2c2ccccc2)c(F)c1 ZINC001144558699 1131658843 /nfs/dbraw/zinc/65/88/43/1131658843.db2.gz AMTLQAMJNMSHIY-INIZCTEOSA-N -1 1 275.298 3.617 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC001144745793 1131700543 /nfs/dbraw/zinc/70/05/43/1131700543.db2.gz NFHGLIFRSUNLRT-DGCLKSJQSA-N -1 1 295.810 3.990 20 0 CHADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(C2CCC2)CCC1 ZINC000834822102 1131707812 /nfs/dbraw/zinc/70/78/12/1131707812.db2.gz KRYMUTXQRHJVHT-UHFFFAOYSA-N -1 1 293.794 3.632 20 0 CHADMM CC(C(=O)NCc1ccc([O-])c(Cl)c1)=C1CCCC1 ZINC000834828986 1131708232 /nfs/dbraw/zinc/70/82/32/1131708232.db2.gz GTKFUHXOQBSQKP-UHFFFAOYSA-N -1 1 279.767 3.552 20 0 CHADMM Cc1nc(CNCc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000846776885 1131733205 /nfs/dbraw/zinc/73/32/05/1131733205.db2.gz AQESSGPPVPOTMA-UHFFFAOYSA-N -1 1 298.386 3.501 20 0 CHADMM Cc1cccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])c1C ZINC001146226913 1131786771 /nfs/dbraw/zinc/78/67/71/1131786771.db2.gz PQXHDWNDTMHDMH-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2c([O-])cccc2F)c1 ZINC001146493079 1131788629 /nfs/dbraw/zinc/78/86/29/1131788629.db2.gz XQRMEWGKAYPQKX-QWHCGFSZSA-N -1 1 285.318 3.582 20 0 CHADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1Cl ZINC001146713324 1131795951 /nfs/dbraw/zinc/79/59/51/1131795951.db2.gz ZAFYIAROVHVZDC-NEPJUHHUSA-N -1 1 295.810 3.992 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1Cl ZINC001146713329 1131796248 /nfs/dbraw/zinc/79/62/48/1131796248.db2.gz ZAFYIAROVHVZDC-VXGBXAGGSA-N -1 1 295.810 3.992 20 0 CHADMM CSc1nc(O[C@@H](C)c2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001228090635 1131805605 /nfs/dbraw/zinc/80/56/05/1131805605.db2.gz MVHSNUUDZGEAEO-QMMMGPOBSA-N -1 1 296.779 3.698 20 0 CHADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001147538513 1131828634 /nfs/dbraw/zinc/82/86/34/1131828634.db2.gz OYSMVCQLHUYYJH-RISCZKNCSA-N -1 1 279.355 3.572 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@H](C)CC1 ZINC001228554385 1131908420 /nfs/dbraw/zinc/90/84/20/1131908420.db2.gz IBABZIKZEHBINF-UMSPYCQHSA-N -1 1 278.348 3.648 20 0 CHADMM CCCCC[C@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228635621 1131925591 /nfs/dbraw/zinc/92/55/91/1131925591.db2.gz CEOBTLHLYXTKQI-ZDUSSCGKSA-N -1 1 289.404 3.861 20 0 CHADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)c1nccs1 ZINC001228766944 1131953039 /nfs/dbraw/zinc/95/30/39/1131953039.db2.gz XQXLVXBRUZVQBR-QMMMGPOBSA-N -1 1 289.385 3.515 20 0 CHADMM CN(Cc1ccc(Cl)cc1)Cc1ccc([O-])c(F)c1F ZINC001140893754 1131960299 /nfs/dbraw/zinc/96/02/99/1131960299.db2.gz HFNVDFGGGNWUDL-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM C[C@@H]1CC[C@@H](C)[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229133742 1132025501 /nfs/dbraw/zinc/02/55/01/1132025501.db2.gz BBDDCDYSJWHXPD-GYSYKLTISA-N -1 1 288.343 3.702 20 0 CHADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1cccs1 ZINC001229130110 1132025654 /nfs/dbraw/zinc/02/56/54/1132025654.db2.gz VFAIKCDFYKZUOR-VIFPVBQESA-N -1 1 288.324 3.700 20 0 CHADMM O=C(C[C@H]1CCCc2ccccc21)Nc1cccc(F)c1[O-] ZINC001171632908 1132063457 /nfs/dbraw/zinc/06/34/57/1132063457.db2.gz WLRHJEKYEFROKV-CYBMUJFWSA-N -1 1 299.345 3.980 20 0 CHADMM C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)c1ncccn1 ZINC001229409104 1132064469 /nfs/dbraw/zinc/06/44/69/1132064469.db2.gz BYCDHEMUYWMYBZ-SSDOTTSWSA-N -1 1 285.130 3.629 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C(C)C)C(F)(F)F ZINC001229475237 1132073300 /nfs/dbraw/zinc/07/33/00/1132073300.db2.gz RJYAQIJAMOVPTB-CYBMUJFWSA-N -1 1 290.281 3.951 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001229477504 1132073638 /nfs/dbraw/zinc/07/36/38/1132073638.db2.gz NUTFAFRJEDXKJH-OCCSQVGLSA-N -1 1 266.312 3.644 20 0 CHADMM CN(C(=O)c1cccc([O-])c1F)c1ccc2ccccc2c1 ZINC001141326477 1132086647 /nfs/dbraw/zinc/08/66/47/1132086647.db2.gz VRHRLAWPJBSHNX-UHFFFAOYSA-N -1 1 295.313 3.961 20 0 CHADMM C[C@@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1CCC1 ZINC001231044695 1132246211 /nfs/dbraw/zinc/24/62/11/1132246211.db2.gz NVZZXNFNHNYGBV-ZCFIWIBFSA-N -1 1 286.162 3.832 20 0 CHADMM C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)C1CCC1 ZINC001231044695 1132246215 /nfs/dbraw/zinc/24/62/15/1132246215.db2.gz NVZZXNFNHNYGBV-ZCFIWIBFSA-N -1 1 286.162 3.832 20 0 CHADMM CC1(C)[C@@H]2C[C@@H](Oc3cccnc3-c3ncccc3[O-])C[C@@H]21 ZINC001231199548 1132270415 /nfs/dbraw/zinc/27/04/15/1132270415.db2.gz DTYVPKUCEJMXSR-XYYAHUGASA-N -1 1 296.370 3.663 20 0 CHADMM CCCC[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200522 1132270962 /nfs/dbraw/zinc/27/09/62/1132270962.db2.gz PMCUQCNXBLPKNG-LBPRGKRZSA-N -1 1 272.348 3.807 20 0 CHADMM CSc1cc(F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001143015919 1132492555 /nfs/dbraw/zinc/49/25/55/1132492555.db2.gz HUMAHTHJWVUYIV-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM CC[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232629672 1132499153 /nfs/dbraw/zinc/49/91/53/1132499153.db2.gz VWPWNVKVNZNZQY-SECBINFHSA-N -1 1 274.191 3.931 20 0 CHADMM [O-]c1cccc(CN2CCCC(F)(F)[C@@H](F)C2)c1Cl ZINC001232784399 1132521405 /nfs/dbraw/zinc/52/14/05/1132521405.db2.gz LTGPCKGSXBAXCY-NSHDSACASA-N -1 1 293.716 3.615 20 0 CHADMM CN(C/C=C/c1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232937892 1132544288 /nfs/dbraw/zinc/54/42/88/1132544288.db2.gz VXTLFWBPLOGJEM-VMPITWQZSA-N -1 1 289.325 3.816 20 0 CHADMM [O-]c1c(F)ccc(CN2CC[C@@H]2c2ccccc2)c1F ZINC001232937546 1132546066 /nfs/dbraw/zinc/54/60/66/1132546066.db2.gz PUPJMDFFLIDXHP-CQSZACIVSA-N -1 1 275.298 3.617 20 0 CHADMM Cc1cccc(CN(C)Cc2ccc(F)c([O-])c2F)c1 ZINC001232931192 1132546421 /nfs/dbraw/zinc/54/64/21/1132546421.db2.gz LDEZAWWSPBGODG-UHFFFAOYSA-N -1 1 277.314 3.611 20 0 CHADMM CCOc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001173850488 1132553693 /nfs/dbraw/zinc/55/36/93/1132553693.db2.gz DHEBTEMZCOIUAJ-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM Oc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc(F)c1F ZINC001232970300 1132554075 /nfs/dbraw/zinc/55/40/75/1132554075.db2.gz JGAPWALJOXPWLJ-CQSZACIVSA-N -1 1 289.325 3.660 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1N/C=C/c1ccccc1 ZINC001173871391 1132574465 /nfs/dbraw/zinc/57/44/65/1132574465.db2.gz DRMLVGQZOIVHQZ-CMDGGOBGSA-N -1 1 279.295 3.581 20 0 CHADMM C[N@@H+](Cc1ccc([S-])cc1)Cc1ccc(Cl)nc1 ZINC001233261971 1132590215 /nfs/dbraw/zinc/59/02/15/1132590215.db2.gz LUCZYNDABMBKKC-UHFFFAOYSA-N -1 1 278.808 3.656 20 0 CHADMM Fc1cccc2c1CC[N@@H+](Cc1ccc([S-])cc1)C2 ZINC001233261914 1132591255 /nfs/dbraw/zinc/59/12/55/1132591255.db2.gz JEZSGFOQGQYFEA-UHFFFAOYSA-N -1 1 273.376 3.673 20 0 CHADMM Fc1cccc2c1CCN(Cc1ccc([S-])cc1)C2 ZINC001233261914 1132591264 /nfs/dbraw/zinc/59/12/64/1132591264.db2.gz JEZSGFOQGQYFEA-UHFFFAOYSA-N -1 1 273.376 3.673 20 0 CHADMM Fc1ccc2c(c1)CN(Cc1ccc([S-])cc1)CC2 ZINC001233262102 1132593706 /nfs/dbraw/zinc/59/37/06/1132593706.db2.gz QPZAWMBBDCHHJJ-UHFFFAOYSA-N -1 1 273.376 3.673 20 0 CHADMM CC(C)N(C(=O)c1c([O-])ccc2ccccc21)C(C)C ZINC001153499084 1132595696 /nfs/dbraw/zinc/59/56/96/1132595696.db2.gz YXMNROOXQGFQAC-UHFFFAOYSA-N -1 1 271.360 3.804 20 0 CHADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])CC1 ZINC001154885690 1132629140 /nfs/dbraw/zinc/62/91/40/1132629140.db2.gz QYIACNIUNOXQQX-GXTWGEPZSA-N -1 1 293.382 3.866 20 0 CHADMM Cc1cc(F)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001173967420 1132637468 /nfs/dbraw/zinc/63/74/68/1132637468.db2.gz CZCNIMLNLPHVAM-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM [O-]c1cc(Nc2ccc3[nH]ccc3c2)cc(F)c1F ZINC001173940060 1132652181 /nfs/dbraw/zinc/65/21/81/1132652181.db2.gz SGTJSZRVHQRUQF-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)C1CCOCC1 ZINC001233649398 1132655641 /nfs/dbraw/zinc/65/56/41/1132655641.db2.gz XOAKCOCCGWNVFA-GFCCVEGCSA-N -1 1 292.375 3.569 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1OC1Cc2ccccc2C1 ZINC001233647614 1132655922 /nfs/dbraw/zinc/65/59/22/1132655922.db2.gz MSWOVPZIUDRFFY-UHFFFAOYSA-N -1 1 296.366 3.921 20 0 CHADMM CCCOC[C@@H](C)Oc1cc([O-])ccc1C(=O)CCC ZINC001233650951 1132657551 /nfs/dbraw/zinc/65/75/51/1132657551.db2.gz URPDNHQCNMRLCN-GFCCVEGCSA-N -1 1 280.364 3.569 20 0 CHADMM Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1C ZINC001173954320 1132661403 /nfs/dbraw/zinc/66/14/03/1132661403.db2.gz ULVDOUGQHOCDFE-UHFFFAOYSA-N -1 1 281.311 3.859 20 0 CHADMM CC(C)(C)c1nc([N-]c2cnc3ccccc3c2)no1 ZINC001174001055 1132672002 /nfs/dbraw/zinc/67/20/02/1132672002.db2.gz IEYKEAAVDOJJRE-UHFFFAOYSA-N -1 1 268.320 3.659 20 0 CHADMM [O-]c1cc(Nc2ccc3c(c2)CCO3)c(F)cc1Cl ZINC001174010519 1132677394 /nfs/dbraw/zinc/67/73/94/1132677394.db2.gz BVKWTDYODCCUBV-UHFFFAOYSA-N -1 1 279.698 3.863 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cncc2ccccc21 ZINC001174103031 1132719634 /nfs/dbraw/zinc/71/96/34/1132719634.db2.gz UMKYYPXZPHMGIG-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC001157805991 1132743918 /nfs/dbraw/zinc/74/39/18/1132743918.db2.gz TVEXUUVYTOFRKV-GFCCVEGCSA-N -1 1 281.783 3.744 20 0 CHADMM COc1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC001174307165 1132788935 /nfs/dbraw/zinc/78/89/35/1132788935.db2.gz HVCOCNZKGASKTL-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC001158830807 1132795103 /nfs/dbraw/zinc/79/51/03/1132795103.db2.gz DUUCYMLQCLIIIU-RKDXNWHRSA-N -1 1 298.180 3.529 20 0 CHADMM O=C(NC[C@H]1CCC=CCCC1)c1cc(Cl)ccc1[O-] ZINC001158912617 1132797763 /nfs/dbraw/zinc/79/77/63/1132797763.db2.gz DUZOHNJLKHRIRZ-LBPRGKRZSA-N -1 1 293.794 3.912 20 0 CHADMM Cc1sccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174459116 1132869356 /nfs/dbraw/zinc/86/93/56/1132869356.db2.gz FVSQJVFNUKFIEB-UHFFFAOYSA-N -1 1 273.313 3.612 20 0 CHADMM Cn1ccc2ccc(Nc3ccnc(Cl)c3[O-])cc21 ZINC001174515672 1132908770 /nfs/dbraw/zinc/90/87/70/1132908770.db2.gz HGPPQDQZXXKXFA-UHFFFAOYSA-N -1 1 273.723 3.676 20 0 CHADMM Cc1c(F)cccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174670761 1132944484 /nfs/dbraw/zinc/94/44/84/1132944484.db2.gz OLGMIWHZIUNCEG-UHFFFAOYSA-N -1 1 283.306 3.769 20 0 CHADMM CSc1nc(Nc2ccc(C(F)F)cc2)cc(=O)[n-]1 ZINC001174711598 1132961654 /nfs/dbraw/zinc/96/16/54/1132961654.db2.gz VJBRWZJMJAJUTM-UHFFFAOYSA-N -1 1 283.303 3.585 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)CCCO2 ZINC001174721060 1132964131 /nfs/dbraw/zinc/96/41/31/1132964131.db2.gz BEQFPMOAVCMCJZ-UHFFFAOYSA-N -1 1 277.270 3.739 20 0 CHADMM 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CC(=O)c1c(O)cc([O-])cc1O[C@@H](c1ccccc1)C1CC1 ZINC001225676291 1135606956 /nfs/dbraw/zinc/60/69/56/1135606956.db2.gz HRVGOYJXLGYKAB-SFHVURJKSA-N -1 1 298.338 3.831 20 0 CHADMM CC[C@H]1CC[C@H](Oc2cc([O-])cc(O)c2C(C)=O)CC1 ZINC001225675838 1135607234 /nfs/dbraw/zinc/60/72/34/1135607234.db2.gz ZJMIHYSEJIRXAO-AULYBMBSSA-N -1 1 278.348 3.648 20 0 CHADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1Cl ZINC001226242586 1135676313 /nfs/dbraw/zinc/67/63/13/1135676313.db2.gz QJHURBICQSWFOW-MRVPVSSYSA-N -1 1 296.779 3.567 20 0 CHADMM CCC[C@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226243319 1135676542 /nfs/dbraw/zinc/67/65/42/1135676542.db2.gz AHMYKSBRHLULFV-LBPRGKRZSA-N -1 1 290.388 3.694 20 0 CHADMM CC[C@@H](Oc1[n-]c(=O)nc(C)c1Cl)c1ccccc1F ZINC001227111980 1135787138 /nfs/dbraw/zinc/78/71/38/1135787138.db2.gz UOLBRLBCECSCGJ-LLVKDONJSA-N -1 1 296.729 3.813 20 0 CHADMM Cc1cccc2c1[C@@H](Oc1[n-]c(=O)nc(C)c1Cl)CC2 ZINC001227117123 1135787942 /nfs/dbraw/zinc/78/79/42/1135787942.db2.gz SIRKGZOOZXXFMN-NSHDSACASA-N -1 1 290.750 3.519 20 0 CHADMM CC[C@H]1CCCC[C@@H]1Oc1cc([O-])ccc1C(=O)COC ZINC001227168047 1135793626 /nfs/dbraw/zinc/79/36/26/1135793626.db2.gz DKNHVDRPYKUTSB-LRDDRELGSA-N -1 1 292.375 3.569 20 0 CHADMM CCC[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227387285 1135828182 /nfs/dbraw/zinc/82/81/82/1135828182.db2.gz VVTDZPONHBHFGM-GFCCVEGCSA-N -1 1 278.352 3.825 20 0 CHADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1Cl ZINC001227382126 1135828430 /nfs/dbraw/zinc/82/84/30/1135828430.db2.gz ALPQLQCQPYRCMT-SSDOTTSWSA-N -1 1 284.743 3.698 20 0 CHADMM Fc1cnc(=S)[n-]c1O[C@H]1Cc2cccc3cccc1c23 ZINC001227382577 1135828746 /nfs/dbraw/zinc/82/87/46/1135828746.db2.gz FTEHUTDBJNKIAY-ZDUSSCGKSA-N -1 1 298.342 3.734 20 0 CHADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCc2cc(Cl)ccc21 ZINC001227383320 1135828801 /nfs/dbraw/zinc/82/88/01/1135828801.db2.gz MSAKPQXKKDQNMK-LLVKDONJSA-N -1 1 296.754 3.624 20 0 CHADMM C[C@H](Oc1cc(Cl)c([O-])cc1Cl)c1cncnc1 ZINC001227641510 1135852557 /nfs/dbraw/zinc/85/25/57/1135852557.db2.gz 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/nfs/dbraw/zinc/13/74/65/227137465.db2.gz SSKYWRBRXNCHTH-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(F)(F)F ZINC000336179504 228204500 /nfs/dbraw/zinc/20/45/00/228204500.db2.gz JKTZICQDUQHDKA-RXMQYKEDSA-N -1 1 292.644 3.761 20 0 CHADMM C[C@@H](c1c(F)cccc1F)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000086810062 260210121 /nfs/dbraw/zinc/21/01/21/260210121.db2.gz DHYPJOMUOLSDJD-NWDGAFQWSA-N -1 1 297.345 3.603 20 0 CHADMM CC(C)(C)c1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000151660108 261053964 /nfs/dbraw/zinc/05/39/64/261053964.db2.gz WBPDIKMCQOHNEI-UHFFFAOYSA-N -1 1 280.274 3.503 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(C1)CCCCC2 ZINC000174008497 261175795 /nfs/dbraw/zinc/17/57/95/261175795.db2.gz YRRMTASOEIMTDH-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174653550 261192547 /nfs/dbraw/zinc/19/25/47/261192547.db2.gz RZJRHLJPXAIEPI-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccon1 ZINC000104482622 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Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000082192882 330353711 /nfs/dbraw/zinc/35/37/11/330353711.db2.gz PIQWIWFKHQKQRV-UHFFFAOYSA-N -1 1 267.737 3.668 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccccc3)n2)c(Cl)c1 ZINC000445447800 330365133 /nfs/dbraw/zinc/36/51/33/330365133.db2.gz QECZMJYNRSLWHS-UHFFFAOYSA-N -1 1 272.691 3.763 20 0 CHADMM Cc1nc(S[C@@H](C)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000538516085 330390396 /nfs/dbraw/zinc/39/03/96/330390396.db2.gz GSEAIRKZJQIQIV-JTQLQIEISA-N -1 1 278.352 3.791 20 0 CHADMM CCC(CC)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456568 330496399 /nfs/dbraw/zinc/49/63/99/330496399.db2.gz JKAUBXYYASTRSV-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM CCSc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436548437 330679936 /nfs/dbraw/zinc/67/99/36/330679936.db2.gz MOQKTTUHXUJYQN-UHFFFAOYSA-N -1 1 273.357 3.757 20 0 CHADMM Cc1ccc2c(c1)CN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000436611757 330681406 /nfs/dbraw/zinc/68/14/06/330681406.db2.gz YPFZAOWYNPRDSC-UHFFFAOYSA-N -1 1 287.746 3.510 20 0 CHADMM Cc1cc(C)cc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000436933783 330688950 /nfs/dbraw/zinc/68/89/50/330688950.db2.gz RALVWBKYLQXOGD-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM C[C@@H](c1cccs1)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436936007 330689260 /nfs/dbraw/zinc/68/92/60/330689260.db2.gz LZWMNVTTWNAIBD-QMMMGPOBSA-N -1 1 290.319 3.795 20 0 CHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1C1CC1 ZINC000436954771 330689618 /nfs/dbraw/zinc/68/96/18/330689618.db2.gz XLZNYSQCXPEEEX-UHFFFAOYSA-N -1 1 283.327 3.536 20 0 CHADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000155758880 330697637 /nfs/dbraw/zinc/69/76/37/330697637.db2.gz FQWXCJNZQCFZQQ-APPDUMDISA-N -1 1 299.345 3.585 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc4cc[nH]c43)n2)cc1F ZINC000445475415 330829393 /nfs/dbraw/zinc/82/93/93/330829393.db2.gz UJVFVEWUQWONFA-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM O=c1cc(C(F)F)nc(SC[C@H]2CCCC2(F)F)[n-]1 ZINC000450953814 331008602 /nfs/dbraw/zinc/00/86/02/331008602.db2.gz AFMUBWMQLXGGPQ-ZCFIWIBFSA-N -1 1 296.289 3.647 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc3ccccc3c2)n1 ZINC000195067670 331135540 /nfs/dbraw/zinc/13/55/40/331135540.db2.gz KRVVOZQJBGLVEH-UHFFFAOYSA-N -1 1 296.395 3.778 20 0 CHADMM O=C(Nc1cccc(C(F)F)c1)c1ccccc1[O-] ZINC000195429499 331173142 /nfs/dbraw/zinc/17/31/42/331173142.db2.gz COFVMZTUVMWRDA-UHFFFAOYSA-N -1 1 263.243 3.582 20 0 CHADMM CC1(CC(=O)Nc2ccc([O-])c(F)c2F)CCCCC1 ZINC000456784699 331203820 /nfs/dbraw/zinc/20/38/20/331203820.db2.gz MJQWELJWZSVWSD-UHFFFAOYSA-N -1 1 283.318 3.969 20 0 CHADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456788596 331204000 /nfs/dbraw/zinc/20/40/00/331204000.db2.gz RUFMOYUSJADIKX-MGCOHNPYSA-N -1 1 283.318 3.825 20 0 CHADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456791260 331204090 /nfs/dbraw/zinc/20/40/90/331204090.db2.gz XWRSQYZSNHUPND-UWVGGRQHSA-N -1 1 283.318 3.825 20 0 CHADMM CCC(CC)[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456790125 331204110 /nfs/dbraw/zinc/20/41/10/331204110.db2.gz VPBKEUZYMNMVCX-QMMMGPOBSA-N -1 1 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283.371 3.806 20 0 CHADMM Cc1cc([C@@H](C)NC(=O)c2c([O-])cccc2F)c(C)s1 ZINC000228837498 333297950 /nfs/dbraw/zinc/29/79/50/333297950.db2.gz YYZYFJWANJIGQL-SECBINFHSA-N -1 1 293.363 3.701 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000230225650 333315855 /nfs/dbraw/zinc/31/58/55/333315855.db2.gz TZQIHFJCEXDIQT-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM C[C@H](c1ccco1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000123956933 333554904 /nfs/dbraw/zinc/55/49/04/333554904.db2.gz PWJWOQLJBMKTAO-GFCCVEGCSA-N -1 1 295.338 3.972 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000124887919 333561994 /nfs/dbraw/zinc/56/19/94/333561994.db2.gz TWVLQYQPTXNVTG-RHSMWYFYSA-N -1 1 295.382 3.950 20 0 CHADMM CCCC[C@H](CC)CNC(=O)c1c(F)ccc([O-])c1F ZINC000539163181 333660316 /nfs/dbraw/zinc/66/03/16/333660316.db2.gz DIGDUZNGAFZAIT-JTQLQIEISA-N -1 1 285.334 3.617 20 0 CHADMM CC(C)c1ccc2nc(-c3ccc(Cl)o3)[n-]c(=O)c2c1 ZINC000131449335 333941480 /nfs/dbraw/zinc/94/14/80/333941480.db2.gz 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293.388 3.815 20 0 CHADMM Cc1oc(CN(C)Cc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000565542851 974583682 /nfs/dbraw/zinc/58/36/82/974583682.db2.gz JGIIANIVQNXVLH-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM CC(C)c1[nH]c(CN(C)Cc2cccs2)cc1C(=O)[O-] ZINC001591910609 976321844 /nfs/dbraw/zinc/32/18/44/976321844.db2.gz KLYAMZMHWXTURW-UHFFFAOYSA-N -1 1 292.404 3.530 20 0 CHADMM CC[C@@H](Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC001595318992 980504670 /nfs/dbraw/zinc/50/46/70/980504670.db2.gz WLANTFGGXZQWNA-OAHLLOKOSA-N -1 1 290.407 3.651 20 0 CHADMM Cc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC000902236697 980794537 /nfs/dbraw/zinc/79/45/37/980794537.db2.gz VSIYQOKRRKDYRV-ZDUSSCGKSA-N -1 1 287.359 3.754 20 0 CHADMM C/C(=C/c1ccccc1)CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000902272567 980811790 /nfs/dbraw/zinc/81/17/90/980811790.db2.gz NYZCLZIVIKEEDR-LCYFTJDESA-N -1 1 299.370 3.822 20 0 CHADMM Cc1cc(CN[C@@H](C)c2ccc(F)cc2C)oc1C(=O)[O-] ZINC000905726661 981125639 /nfs/dbraw/zinc/12/56/39/981125639.db2.gz 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C[C@@H]1CCC[C@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669168614 1127152463 /nfs/dbraw/zinc/15/24/63/1127152463.db2.gz ODEFVBZXCNQIPR-QWHCGFSZSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1ccc(C[N@H+](C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000572249512 1127195500 /nfs/dbraw/zinc/19/55/00/1127195500.db2.gz NTNOILXICLUBIP-NSHDSACASA-N -1 1 293.388 3.849 20 0 CHADMM Cc1ccc(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000572249512 1127195502 /nfs/dbraw/zinc/19/55/02/1127195502.db2.gz NTNOILXICLUBIP-NSHDSACASA-N -1 1 293.388 3.849 20 0 CHADMM C[C@@H]1C[C@H](C)[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000288938361 1127367333 /nfs/dbraw/zinc/36/73/33/1127367333.db2.gz ATAVXMGXJSERDW-JOAULVNJSA-N -1 1 294.738 3.582 20 0 CHADMM CC[C@](C)(NCc1cccc([O-])c1Cl)c1nccs1 ZINC000293682999 1127512715 /nfs/dbraw/zinc/51/27/15/1127512715.db2.gz VTCVIMNYCLKSMO-AWEZNQCLSA-N -1 1 296.823 3.917 20 0 CHADMM [O-]c1cc(CN2CCCC[C@H]2C(F)(F)F)ccc1Cl ZINC001231734198 1127518758 /nfs/dbraw/zinc/51/87/58/1127518758.db2.gz RKNBRUXDXXKZJT-LBPRGKRZSA-N -1 1 293.716 3.962 20 0 CHADMM C[C@H](c1ccco1)N(C)Cc1cccc([O-])c1Cl ZINC000295278593 1127631336 /nfs/dbraw/zinc/63/13/36/1127631336.db2.gz IEKBCEATDOXIAF-SNVBAGLBSA-N -1 1 265.740 3.832 20 0 CHADMM CC(C)n1ccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001203165208 1127956766 /nfs/dbraw/zinc/95/67/66/1127956766.db2.gz MCHBWJYKXNZDKO-UHFFFAOYSA-N -1 1 252.264 3.796 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)c1nccs1 ZINC001233649624 1128007318 /nfs/dbraw/zinc/00/73/18/1128007318.db2.gz BAWKWQAMHYNEMR-SNVBAGLBSA-N -1 1 291.372 3.972 20 0 CHADMM Cc1nc(SCc2ccc(Cl)s2)[n-]c(=O)c1C ZINC000545483588 1128017956 /nfs/dbraw/zinc/01/79/56/1128017956.db2.gz HKGHYNLXPMMXDD-UHFFFAOYSA-N -1 1 286.809 3.806 20 0 CHADMM CC(C)CC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000761603434 1128164882 /nfs/dbraw/zinc/16/48/82/1128164882.db2.gz RTOLNERGDJUNLN-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM CCCCCN(C(=O)c1ncccc1[O-])[C@@H](C)CCC ZINC000495120102 1128234838 /nfs/dbraw/zinc/23/48/38/1128234838.db2.gz MJGFCJHLUZJPDR-ZDUSSCGKSA-N -1 1 278.396 3.608 20 0 CHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC12CCC2 ZINC000928391066 1128240385 /nfs/dbraw/zinc/24/03/85/1128240385.db2.gz GAVINFUPAXBQQA-UHFFFAOYSA-N -1 1 299.292 3.570 20 0 CHADMM CC(C)CO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000153635088 1128329188 /nfs/dbraw/zinc/32/91/88/1128329188.db2.gz GZPALNVLJHPXDK-CYBMUJFWSA-N -1 1 271.360 3.647 20 0 CHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]2CCC[C@H]21 ZINC000393428097 1128341329 /nfs/dbraw/zinc/34/13/29/1128341329.db2.gz HFNMSMCODIKDCZ-OLZOCXBDSA-N -1 1 293.794 3.696 20 0 CHADMM CCN(Cc1cccs1)C(=O)c1c([O-])cccc1Cl ZINC000763398666 1128431599 /nfs/dbraw/zinc/43/15/99/1128431599.db2.gz OSSOQTZUDLGVSH-UHFFFAOYSA-N -1 1 295.791 3.769 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000124887667 1128446316 /nfs/dbraw/zinc/44/63/16/1128446316.db2.gz TWVLQYQPTXNVTG-YOEHRIQHSA-N -1 1 295.382 3.950 20 0 CHADMM O=C(Nc1ccc(Cl)cc1F)c1cc(F)ccc1[O-] ZINC000128629753 1128507683 /nfs/dbraw/zinc/50/76/83/1128507683.db2.gz KZPHGWAZTKBYPC-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM O=C([N-][C@@H](CC1CCC1)c1ccccc1)C(F)(F)F ZINC000778465033 1128519871 /nfs/dbraw/zinc/51/98/71/1128519871.db2.gz XJEMMIXXRJKYKG-LBPRGKRZSA-N -1 1 271.282 3.596 20 0 CHADMM O=c1cc(C(F)(F)F)nc(SC2CCCCC2)[n-]1 ZINC000567426286 1128564954 /nfs/dbraw/zinc/56/49/54/1128564954.db2.gz NUDWNWVRYIXPAK-UHFFFAOYSA-N -1 1 278.299 3.626 20 0 CHADMM COC(=O)c1c[n-]c(SC[C@H](C)C2CCCCC2)n1 ZINC000568536731 1128586690 /nfs/dbraw/zinc/58/66/90/1128586690.db2.gz TWKQESTXMMVTCB-JTQLQIEISA-N -1 1 282.409 3.505 20 0 CHADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000570903382 1128634348 /nfs/dbraw/zinc/63/43/48/1128634348.db2.gz YHVFRLGMMUBRGR-UWVGGRQHSA-N -1 1 283.318 3.825 20 0 CHADMM C[C@@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000920463113 1128682512 /nfs/dbraw/zinc/68/25/12/1128682512.db2.gz NVYMMXXHJYIRRY-MNOVXSKESA-N -1 1 281.783 3.602 20 0 CHADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000920463166 1128682767 /nfs/dbraw/zinc/68/27/67/1128682767.db2.gz AAZFLVKTKWXJPX-WDEREUQCSA-N -1 1 281.783 3.602 20 0 CHADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1c([O-])cccc1F ZINC000622736847 1117761412 /nfs/dbraw/zinc/76/14/12/1117761412.db2.gz LZDRGDMQJXNLHN-INIZCTEOSA-N -1 1 291.366 3.620 20 0 CHADMM O=C(CSc1ccc(F)c(F)c1)c1ccc([O-])cc1 ZINC000035018468 1117790086 /nfs/dbraw/zinc/79/00/86/1117790086.db2.gz FEFYDNJTMCRIRL-UHFFFAOYSA-N -1 1 280.295 3.645 20 0 CHADMM Cc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000049084596 1128742328 /nfs/dbraw/zinc/74/23/28/1128742328.db2.gz GISLFXLQXVMIMN-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181095568 1117994240 /nfs/dbraw/zinc/99/42/40/1117994240.db2.gz COMASXOQKCPUOA-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM Cc1cc(C)c(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000075913932 1118072042 /nfs/dbraw/zinc/07/20/42/1118072042.db2.gz FWHOOJUUQAXUCU-UHFFFAOYSA-N -1 1 273.307 3.709 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ncccc1F ZINC001209811923 1118094704 /nfs/dbraw/zinc/09/47/04/1118094704.db2.gz UECPKUGPUDBNBJ-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM COc1cc(C)c(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001209872213 1118101071 /nfs/dbraw/zinc/10/10/71/1118101071.db2.gz XCOGHCNSBZGLAP-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM O=C(NCc1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000017064228 1118170150 /nfs/dbraw/zinc/17/01/50/1118170150.db2.gz HHCPLBUJHPFCJS-UHFFFAOYSA-N -1 1 295.313 3.615 20 0 CHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1nccs1 ZINC000683566069 1118182863 /nfs/dbraw/zinc/18/28/63/1118182863.db2.gz NQJMLGXMPBFJBV-UHFFFAOYSA-N -1 1 284.793 3.771 20 0 CHADMM Nc1cc(Cl)cc2c1cnn2-c1cccc(Cl)c1[O-] ZINC001210223494 1118213207 /nfs/dbraw/zinc/21/32/07/1118213207.db2.gz QTXJENXADDWKOH-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM COc1ccc(F)cc1-c1ccc(Cl)c([O-])c1 ZINC000065343318 1118243610 /nfs/dbraw/zinc/24/36/10/1118243610.db2.gz LKXFXGAKZDLCGB-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1coc2ccccc12 ZINC001648847425 1118252697 /nfs/dbraw/zinc/25/26/97/1118252697.db2.gz MVYADPBBKCZPFH-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM Cc1ccc(C[C@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001648850343 1118255191 /nfs/dbraw/zinc/25/51/91/1118255191.db2.gz HHNQOAOOWIXJML-LBPRGKRZSA-N -1 1 287.334 3.657 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCC=C2 ZINC000671785076 1118397719 /nfs/dbraw/zinc/39/77/19/1118397719.db2.gz YBMOUHFVRSHXRM-UHFFFAOYSA-N -1 1 283.302 3.743 20 0 CHADMM CSc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211072332 1118455836 /nfs/dbraw/zinc/45/58/36/1118455836.db2.gz AYIJPVKCVOWZML-UHFFFAOYSA-N -1 1 268.288 3.531 20 0 CHADMM [O-]c1cc(F)c(-c2ccccc2-c2cnco2)cc1F ZINC001211339335 1118505512 /nfs/dbraw/zinc/50/55/12/1118505512.db2.gz MVEKXRSTINPIIX-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM O=C(Nc1ccsc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875491 1119084012 /nfs/dbraw/zinc/08/40/12/1119084012.db2.gz GUCIPZCDAVGYRR-UHFFFAOYSA-N -1 1 287.262 3.725 20 0 CHADMM CCC(CC)CN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000342947388 1119259250 /nfs/dbraw/zinc/25/92/50/1119259250.db2.gz QZZMHKGORXYBDG-UHFFFAOYSA-N -1 1 285.334 3.569 20 0 CHADMM Cc1ccccc1C(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000647281153 1119320565 /nfs/dbraw/zinc/32/05/65/1119320565.db2.gz WKEXIXBLDFTJKO-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM CCCCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000828850506 1119325796 /nfs/dbraw/zinc/32/57/96/1119325796.db2.gz NUSVLRSJEFQOFT-UHFFFAOYSA-N -1 1 281.783 3.632 20 0 CHADMM CC(C)c1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)on1 ZINC000081737606 1119518741 /nfs/dbraw/zinc/51/87/41/1119518741.db2.gz DSBLAEHJNYYJTD-UHFFFAOYSA-N -1 1 297.314 3.705 20 0 CHADMM CC(C)c1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000092623338 1119563801 /nfs/dbraw/zinc/56/38/01/1119563801.db2.gz JRRMNDYLKQRKIB-UHFFFAOYSA-N -1 1 285.376 3.591 20 0 CHADMM Cc1ccc(CCCC(=O)Nc2c([O-])cccc2F)s1 ZINC000080028501 1119624957 /nfs/dbraw/zinc/62/49/57/1119624957.db2.gz WBTJJCJDJWINPU-UHFFFAOYSA-N -1 1 293.363 3.863 20 0 CHADMM CCC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612295445 1119772091 /nfs/dbraw/zinc/77/20/91/1119772091.db2.gz PGDXWXPSNAFLOV-ZDUSSCGKSA-N -1 1 298.386 3.593 20 0 CHADMM Cc1cc(CN[C@H]2CCCc3sccc32)oc1C(=O)[O-] ZINC000235974362 1119839316 /nfs/dbraw/zinc/83/93/16/1119839316.db2.gz QUAVOUPKPYZWFL-LBPRGKRZSA-N -1 1 291.372 3.515 20 0 CHADMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000190812483 1128882292 /nfs/dbraw/zinc/88/22/92/1128882292.db2.gz IZVZYOQLJJZYRX-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000619127920 1128879123 /nfs/dbraw/zinc/87/91/23/1128879123.db2.gz BXKUZKALUJJBBY-CHWSQXEVSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1ccc2c(c1)[C@@H]([N-]c1nc(-c3ccccc3)no1)CO2 ZINC000685910721 1119982746 /nfs/dbraw/zinc/98/27/46/1119982746.db2.gz LYJQGXWOCGJERU-AWEZNQCLSA-N -1 1 293.326 3.591 20 0 CHADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc([O-])c(F)c1F ZINC001140892653 1120080773 /nfs/dbraw/zinc/08/07/73/1120080773.db2.gz VQIDKKINVZIQGU-LLVKDONJSA-N -1 1 289.325 3.617 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)cs2)S1 ZINC000208096645 1120156209 /nfs/dbraw/zinc/15/62/09/1120156209.db2.gz FDEHWKDKXULXND-KPKJPENVSA-N -1 1 287.365 3.739 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](C2CCCCC2)C1 ZINC000618186433 1128900216 /nfs/dbraw/zinc/90/02/16/1128900216.db2.gz LUUFXTLMKCONOB-AWEZNQCLSA-N -1 1 291.366 3.574 20 0 CHADMM CCc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214484156 1120259528 /nfs/dbraw/zinc/25/95/28/1120259528.db2.gz BJZSPHOMQLJEIT-UHFFFAOYSA-N -1 1 266.703 3.886 20 0 CHADMM Cc1cccc2nc(-c3cnc4ccsc4c3)[n-]c(=O)c12 ZINC000477629041 1120306034 /nfs/dbraw/zinc/30/60/34/1120306034.db2.gz RDKSBOSWXTUKPA-UHFFFAOYSA-N -1 1 293.351 3.921 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C3CC3)cc2)o1 ZINC000417566152 1120459621 /nfs/dbraw/zinc/45/96/21/1120459621.db2.gz HXTWCLYOZBVTAK-MRXNPFEDSA-N -1 1 299.370 3.771 20 0 CHADMM O=C(CCCC1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000643232218 1120948148 /nfs/dbraw/zinc/94/81/48/1120948148.db2.gz KMQSYCAOUHIUKC-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC001167824851 1120997908 /nfs/dbraw/zinc/99/79/08/1120997908.db2.gz VJOQGZMDAKOIFU-MRXNPFEDSA-N -1 1 299.345 3.647 20 0 CHADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1ccc(Cl)s1 ZINC000674266421 1121109917 /nfs/dbraw/zinc/10/99/17/1121109917.db2.gz JSWZULIOZIVXPO-ZETCQYMHSA-N -1 1 299.754 3.988 20 0 CHADMM [O-]c1cc(Nc2c(F)ccc(F)c2F)cc(F)c1F ZINC001175032320 1121151829 /nfs/dbraw/zinc/15/18/29/1121151829.db2.gz NSRWHJAQCDKHSR-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CCOc1ccc(F)cc1Nc1c([O-])cc(F)cc1F ZINC001175082538 1121176366 /nfs/dbraw/zinc/17/63/66/1121176366.db2.gz XNPYCYXYQBZYLO-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(C)Oc1cc(F)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001175138998 1121197724 /nfs/dbraw/zinc/19/77/24/1121197724.db2.gz DTTLXPAKCAUGLM-UHFFFAOYSA-N -1 1 279.315 3.863 20 0 CHADMM CCOc1cccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001175235950 1121237305 /nfs/dbraw/zinc/23/73/05/1121237305.db2.gz JNHZWMSUTYLEOW-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CCOc1cccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001175238750 1121239355 /nfs/dbraw/zinc/23/93/55/1121239355.db2.gz GRAPRHORMMWXNM-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001175274472 1121248480 /nfs/dbraw/zinc/24/84/80/1121248480.db2.gz IRDGNEWDOZPQCM-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1cc(F)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268815 1121268752 /nfs/dbraw/zinc/26/87/52/1121268752.db2.gz XKBYKQMVIYESIW-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1c(F)cc(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175267646 1121269679 /nfs/dbraw/zinc/26/96/79/1121269679.db2.gz DVRCSUJKZFXPFY-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1cccc2ccsc21 ZINC001175376865 1121306076 /nfs/dbraw/zinc/30/60/76/1121306076.db2.gz FHHDMNCFHYYOGV-UHFFFAOYSA-N -1 1 288.328 3.810 20 0 CHADMM CCc1cc([N-]c2c(F)c(F)c(F)c(F)c2F)on1 ZINC001175383166 1121309054 /nfs/dbraw/zinc/30/90/54/1121309054.db2.gz QAGWHXXDWZMGIU-UHFFFAOYSA-N -1 1 278.180 3.676 20 0 CHADMM CC/C=C\CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023887 1128978992 /nfs/dbraw/zinc/97/89/92/1128978992.db2.gz HBWUHFSRHFYNNH-PLNGDYQASA-N -1 1 264.394 3.816 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cncs1 ZINC001175497702 1121344869 /nfs/dbraw/zinc/34/48/69/1121344869.db2.gz FUOWPSYBXLLORC-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM Cc1nc(S[C@@H]2CC[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023115 1128979025 /nfs/dbraw/zinc/97/90/25/1128979025.db2.gz IHFSUAIGBZATMT-GZMMTYOYSA-N -1 1 264.394 3.649 20 0 CHADMM COc1cc(C)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001211724761 1121347262 /nfs/dbraw/zinc/34/72/62/1121347262.db2.gz SGSHULHXJNYNEL-UHFFFAOYSA-N -1 1 297.310 3.559 20 0 CHADMM Cc1nc(SCCOCCC(C)C)[n-]c(=O)c1C1CC1 ZINC000631024640 1128979297 /nfs/dbraw/zinc/97/92/97/1128979297.db2.gz XITBIDNRCHETEY-UHFFFAOYSA-N -1 1 296.436 3.523 20 0 CHADMM Cc1ccc2[nH]ncc2c1Nc1ccccc1[S-] ZINC001175525776 1121364331 /nfs/dbraw/zinc/36/43/31/1121364331.db2.gz IQBDILUVNLGNGJ-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Cc1ccc2n[nH]cc2c1Nc1ccc(F)c(F)c1[O-] ZINC001175526908 1121368002 /nfs/dbraw/zinc/36/80/02/1121368002.db2.gz AMGUELDPXKUCPL-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM CSc1ccc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001175653295 1121414656 /nfs/dbraw/zinc/41/46/56/1121414656.db2.gz PURBDNVRHBRRBI-UHFFFAOYSA-N -1 1 268.288 3.531 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2ccncc2c1 ZINC001175708437 1121449929 /nfs/dbraw/zinc/44/99/29/1121449929.db2.gz QPAMCOGOPNBNKC-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM COc1cc(C)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001211733116 1121455401 /nfs/dbraw/zinc/45/54/01/1121455401.db2.gz GXSHSXHBNWHOHS-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM Fc1ccc([N-]c2nc3cc(Cl)ccc3o2)nc1 ZINC001175846731 1121471905 /nfs/dbraw/zinc/47/19/05/1121471905.db2.gz OOZFWGVVHUOZPX-UHFFFAOYSA-N -1 1 263.659 3.759 20 0 CHADMM CCc1c(C)[n-]n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000614188982 1121514685 /nfs/dbraw/zinc/51/46/85/1121514685.db2.gz HXCFAVGFFLTMAY-LLVKDONJSA-N -1 1 285.174 3.738 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(Cl)c1 ZINC001176221997 1121579278 /nfs/dbraw/zinc/57/92/78/1121579278.db2.gz RIFCOJJDHKMQHX-UHFFFAOYSA-N -1 1 255.104 3.838 20 0 CHADMM O=C1CCc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001176235859 1121584818 /nfs/dbraw/zinc/58/48/18/1121584818.db2.gz ZCVFUPAXTATBTG-UHFFFAOYSA-N -1 1 273.719 3.918 20 0 CHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1cccc(F)c1 ZINC000773567776 1121598598 /nfs/dbraw/zinc/59/85/98/1121598598.db2.gz XUNLFBPATFUPRO-SECBINFHSA-N -1 1 278.254 3.588 20 0 CHADMM Cc1cc(COC(=O)c2ccc([O-])cc2F)c(C)s1 ZINC000773567573 1121604595 /nfs/dbraw/zinc/60/45/95/1121604595.db2.gz BXKPNMHEWNRHRT-UHFFFAOYSA-N -1 1 280.320 3.567 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnc3c(c2)CCCC3)c1F ZINC001176664591 1121672177 /nfs/dbraw/zinc/67/21/77/1121672177.db2.gz RLWQUPQRYXJDEE-UHFFFAOYSA-N -1 1 294.276 3.827 20 0 CHADMM COc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176671563 1121672817 /nfs/dbraw/zinc/67/28/17/1121672817.db2.gz GYMHMVADJWTWKT-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Cc1c(C)c(Nc2c(F)cc(F)c([O-])c2F)ccc1O ZINC001176672873 1121672847 /nfs/dbraw/zinc/67/28/47/1121672847.db2.gz MOIIUWKSMPNIBC-UHFFFAOYSA-N -1 1 283.249 3.876 20 0 CHADMM Cc1ccc(N)c(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176672027 1121672904 /nfs/dbraw/zinc/67/29/04/1121672904.db2.gz RNUKNCBMUBFHBY-UHFFFAOYSA-N -1 1 282.265 3.752 20 0 CHADMM CC(=O)Nc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672443 1121673077 /nfs/dbraw/zinc/67/30/77/1121673077.db2.gz VWCTYQLMZSXLIY-UHFFFAOYSA-N -1 1 296.248 3.512 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3snnc32)c1F ZINC001176674881 1121673092 /nfs/dbraw/zinc/67/30/92/1121673092.db2.gz ZXAGGOKAMLNJQY-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM Cc1cc(C)c(N)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672104 1121673214 /nfs/dbraw/zinc/67/32/14/1121673214.db2.gz TXLNQSPPGAILNE-UHFFFAOYSA-N -1 1 282.265 3.752 20 0 CHADMM Cc1cc2c(cccc2N)n1-c1c(F)cc(F)c([O-])c1F ZINC001176673152 1121673737 /nfs/dbraw/zinc/67/37/37/1121673737.db2.gz DZPCMYSYIIIKNF-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM CC(C)Cc1cc(Nc2c(F)cc(F)c([O-])c2F)on1 ZINC001176663409 1121678450 /nfs/dbraw/zinc/67/84/50/1121678450.db2.gz DUPPFWJOEGDVGY-UHFFFAOYSA-N -1 1 286.253 3.740 20 0 CHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001177109354 1121713747 /nfs/dbraw/zinc/71/37/47/1121713747.db2.gz GAJLECGJSMDMHK-MGPQQGTHSA-N -1 1 291.366 3.842 20 0 CHADMM CCc1ccc([C@H](C)C(=O)[N-]OCc2ccccc2)cc1 ZINC000727728466 1121737741 /nfs/dbraw/zinc/73/77/41/1121737741.db2.gz OZZNVTZLVJXMAW-AWEZNQCLSA-N -1 1 283.371 3.601 20 0 CHADMM [O-]c1cc(F)c(Nc2csc3nccnc23)cc1Cl ZINC001250020167 1122077636 /nfs/dbraw/zinc/07/76/36/1122077636.db2.gz NFCAXLWBJRNRSA-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 CHADMM CC(=O)c1ncccc1Nc1cc(Cl)c([O-])cc1F ZINC001250023328 1122085640 /nfs/dbraw/zinc/08/56/40/1122085640.db2.gz JBFJNOVCZNLWLA-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000273188289 1122223200 /nfs/dbraw/zinc/22/32/00/1122223200.db2.gz MQBPHAQOCRNWML-JQWIXIFHSA-N -1 1 297.782 3.579 20 0 CHADMM CCC[C@@H](Oc1cc([O-])cc(O)c1C(C)=O)[C@@H](C)CC ZINC001225678839 1122255501 /nfs/dbraw/zinc/25/55/01/1122255501.db2.gz KZFOXWHDFMFPQR-IINYFYTJSA-N -1 1 280.364 3.894 20 0 CHADMM Cc1ccc(CNC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001185403721 1122338051 /nfs/dbraw/zinc/33/80/51/1122338051.db2.gz XWIILYHUEVDGDK-UHFFFAOYSA-N -1 1 290.750 3.676 20 0 CHADMM [O-]c1ccc(F)c(Nc2cc(O)ccc2F)c1Cl ZINC001250232843 1122378411 /nfs/dbraw/zinc/37/84/11/1122378411.db2.gz VYNUETULYNIJGX-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM CCc1cccc(CC)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226426 1122380062 /nfs/dbraw/zinc/38/00/62/1122380062.db2.gz OYIYNFDOZJNVPR-UHFFFAOYSA-N -1 1 287.334 3.908 20 0 CHADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC001186234604 1122380176 /nfs/dbraw/zinc/38/01/76/1122380176.db2.gz VXIBXCMWGBIMCD-MEBBXXQBSA-N -1 1 285.318 3.510 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1F ZINC001187989647 1122449293 /nfs/dbraw/zinc/44/92/93/1122449293.db2.gz KIGBVXKAPWRPEO-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM [O-]c1cc(CCOCc2ccccc2)ccc1Cl ZINC001250295473 1122477946 /nfs/dbraw/zinc/47/79/46/1122477946.db2.gz CSWSRWOGXAJJDY-UHFFFAOYSA-N -1 1 262.736 3.805 20 0 CHADMM CCc1cc(=O)[n-]c(SCC2CCCCCC2)n1 ZINC000436199965 1122523841 /nfs/dbraw/zinc/52/38/41/1122523841.db2.gz UKPJXHMCTLKLGO-UHFFFAOYSA-N -1 1 266.410 3.807 20 0 CHADMM COc1ccc(N(CC(C)C)C(=O)c2ccccc2[O-])cc1 ZINC000436541139 1122561016 /nfs/dbraw/zinc/56/10/16/1122561016.db2.gz TUXGXUAVWHWBBY-UHFFFAOYSA-N -1 1 299.370 3.704 20 0 CHADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436571290 1122562997 /nfs/dbraw/zinc/56/29/97/1122562997.db2.gz VBZFWFUAMOFLKU-ZDUSSCGKSA-N -1 1 281.783 3.696 20 0 CHADMM Cc1ncsc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436581680 1122564055 /nfs/dbraw/zinc/56/40/55/1122564055.db2.gz BJSQMFAZEICGJW-UHFFFAOYSA-N -1 1 276.361 3.533 20 0 CHADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436606439 1122564984 /nfs/dbraw/zinc/56/49/84/1122564984.db2.gz RBDGTPGXFLCORM-BXUZGUMPSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1cccc(CNC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001190998348 1122566509 /nfs/dbraw/zinc/56/65/09/1122566509.db2.gz IKXCEUAZBCQKSD-UHFFFAOYSA-N -1 1 290.750 3.676 20 0 CHADMM CC(C)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000436629773 1122566791 /nfs/dbraw/zinc/56/67/91/1122566791.db2.gz KUFHRVFMYDLHTN-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM CCCc1nc(C)c(NC(=O)c2ccc([O-])cc2F)s1 ZINC000436677061 1122571299 /nfs/dbraw/zinc/57/12/99/1122571299.db2.gz AADTYJZYPQXVQN-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM CCc1csc(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000436688156 1122572589 /nfs/dbraw/zinc/57/25/89/1122572589.db2.gz SWPBWICALHQVOI-UHFFFAOYSA-N -1 1 290.388 3.787 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436722770 1122576250 /nfs/dbraw/zinc/57/62/50/1122576250.db2.gz PJSIJVDHGLKJET-CQSZACIVSA-N -1 1 295.382 3.808 20 0 CHADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436745091 1122577444 /nfs/dbraw/zinc/57/74/44/1122577444.db2.gz ANEINMLYGBMBGP-NWDGAFQWSA-N -1 1 293.382 3.818 20 0 CHADMM CC(C)[C@@H]1CN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436813166 1122584147 /nfs/dbraw/zinc/58/41/47/1122584147.db2.gz HFWXFSCIIHZHIJ-HNNXBMFYSA-N -1 1 281.355 3.792 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC2(CCC2)C1 ZINC000436830386 1122585942 /nfs/dbraw/zinc/58/59/42/1122585942.db2.gz CMMMTBKEVADZOI-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436850996 1122588147 /nfs/dbraw/zinc/58/81/47/1122588147.db2.gz KCKIJDUIXAYQSS-TZMCWYRMSA-N -1 1 283.371 3.806 20 0 CHADMM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872683 1122590387 /nfs/dbraw/zinc/59/03/87/1122590387.db2.gz NGMCBJCPFSCFHW-UFBFGSQYSA-N -1 1 296.754 3.829 20 0 CHADMM CC(C)C[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881551 1122591231 /nfs/dbraw/zinc/59/12/31/1122591231.db2.gz XFLIGPGSTISEBB-VIFPVBQESA-N -1 1 264.300 3.731 20 0 CHADMM Cc1sccc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436878656 1122591322 /nfs/dbraw/zinc/59/13/22/1122591322.db2.gz KZYNYSBPPQDUPV-UHFFFAOYSA-N -1 1 290.319 3.542 20 0 CHADMM [O-]c1ccc(-c2noc(C3=CCCCCC3)n2)c(F)c1 ZINC000436880968 1122591708 /nfs/dbraw/zinc/59/17/08/1122591708.db2.gz UTIISSTUABNREK-UHFFFAOYSA-N -1 1 274.295 3.929 20 0 CHADMM Cc1oc2ccccc2c1CNC(=O)c1c([O-])cccc1F ZINC000436988749 1122601472 /nfs/dbraw/zinc/60/14/72/1122601472.db2.gz MHNFWVCGVAPIID-UHFFFAOYSA-N -1 1 299.301 3.516 20 0 CHADMM CC(C)(C)CC(C)(C)NC(=O)c1c(F)ccc([O-])c1F ZINC001192552164 1122650918 /nfs/dbraw/zinc/65/09/18/1122650918.db2.gz JYHKBANLORWRKI-UHFFFAOYSA-N -1 1 285.334 3.615 20 0 CHADMM O=C(Nc1ccc2c(c1)N=NC2)c1c(F)ccc([O-])c1F ZINC001192540578 1122652299 /nfs/dbraw/zinc/65/22/99/1122652299.db2.gz XOIAXQJKSQJTLI-UHFFFAOYSA-N -1 1 289.241 3.520 20 0 CHADMM CCCCCNC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193338028 1122684975 /nfs/dbraw/zinc/68/49/75/1122684975.db2.gz MCKJJLUXRIFSMD-UHFFFAOYSA-N -1 1 290.285 3.723 20 0 CHADMM [O-]c1cccc(CN2CCOCc3ccccc32)c1Cl ZINC000293996926 1122720358 /nfs/dbraw/zinc/72/03/58/1122720358.db2.gz SLCBYQQXIDQHRX-UHFFFAOYSA-N -1 1 289.762 3.582 20 0 CHADMM CO[C@H](C)c1nc(=N[C@H](C)[C@H](C)C2CCCCC2)s[n-]1 ZINC000509554017 1122728529 /nfs/dbraw/zinc/72/85/29/1122728529.db2.gz PGTDFUIGHQZWQN-QJPTWQEYSA-N -1 1 297.468 3.684 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])Oc1ccc(Cl)cc1 ZINC001194055356 1122744071 /nfs/dbraw/zinc/74/40/71/1122744071.db2.gz BKPLFKZLYZVMTH-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000439072100 1122751966 /nfs/dbraw/zinc/75/19/66/1122751966.db2.gz QKBMCECNCXCEAA-DGCLKSJQSA-N -1 1 299.374 3.547 20 0 CHADMM COc1ccc(OC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001194535425 1122782756 /nfs/dbraw/zinc/78/27/56/1122782756.db2.gz UGJOPHMJTIWCAL-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM CC[C@H](C)OC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001195116325 1122844672 /nfs/dbraw/zinc/84/46/72/1122844672.db2.gz NIQCRYDDOXHPCT-LURJTMIESA-N -1 1 261.680 3.532 20 0 CHADMM COc1ccccc1OC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001195265042 1122859144 /nfs/dbraw/zinc/85/91/44/1122859144.db2.gz PTCHTOWCTLLMKB-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1cccc2cccc(C)c21 ZINC001195493761 1122872875 /nfs/dbraw/zinc/87/28/75/1122872875.db2.gz BOVHDHWVSSTBIZ-UHFFFAOYSA-N -1 1 288.372 3.591 20 0 CHADMM CCC[C@@H](C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426822902 1122917737 /nfs/dbraw/zinc/91/77/37/1122917737.db2.gz GOZKZYHKNBMUDK-IUODEOHRSA-N -1 1 289.375 3.802 20 0 CHADMM Cc1cc(C)cc(NC(=S)Nc2ccc(F)cc2[O-])c1 ZINC001201206097 1123078360 /nfs/dbraw/zinc/07/83/60/1123078360.db2.gz JDGKEAWAFYQELV-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM CCCOc1ccc(Cl)cc1[N-]c1nnc(C)o1 ZINC001201441770 1123105835 /nfs/dbraw/zinc/10/58/35/1123105835.db2.gz QOKFEQVSVWWTAB-UHFFFAOYSA-N -1 1 267.716 3.564 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Nc1ccccc1F ZINC001202002948 1123169927 /nfs/dbraw/zinc/16/99/27/1123169927.db2.gz WKGHWQOWKAYAMW-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])Nc1ccccc1Cl ZINC001202064210 1123171170 /nfs/dbraw/zinc/17/11/70/1123171170.db2.gz PIVSLYNPFFOBDL-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1c(F)cc([O-])cc1F ZINC001202064434 1123171197 /nfs/dbraw/zinc/17/11/97/1123171197.db2.gz CYYVLINWBLRWSG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM COc1ccc(NC(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001202392537 1123206734 /nfs/dbraw/zinc/20/67/34/1123206734.db2.gz BXYWUZGKULRCLR-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM CC1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000634357524 1129111168 /nfs/dbraw/zinc/11/11/68/1129111168.db2.gz XOEAULDPHLFUIP-UHFFFAOYSA-N -1 1 287.334 3.510 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@H](F)C1 ZINC000335094258 1123296810 /nfs/dbraw/zinc/29/68/10/1123296810.db2.gz GAMAVDWVOQGCDX-IUCAKERBSA-N -1 1 271.719 3.512 20 0 CHADMM CC1(C)CC[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3cccc1c32 ZINC000776511714 1123321128 /nfs/dbraw/zinc/32/11/28/1123321128.db2.gz LNZLMEHJJDTYAN-SKDRFNHKSA-N -1 1 297.320 3.965 20 0 CHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)(C)C ZINC000442971236 1123350832 /nfs/dbraw/zinc/35/08/32/1123350832.db2.gz VMXJMMINXOLSFK-LBPRGKRZSA-N -1 1 299.798 3.609 20 0 CHADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634599375 1129120067 /nfs/dbraw/zinc/12/00/67/1129120067.db2.gz HDXYDRRDTNPJCJ-GXTWGEPZSA-N -1 1 256.349 3.526 20 0 CHADMM CSc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000033638592 1123435291 /nfs/dbraw/zinc/43/52/91/1123435291.db2.gz WCGBVKORHGXTEM-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM CCc1c(C(C)C)[n-]n(Cc2cnc3ccccc3c2)c1=O ZINC000634618037 1129121618 /nfs/dbraw/zinc/12/16/18/1129121618.db2.gz DWRMDDAUQHTLSR-HNNXBMFYSA-N -1 1 295.386 3.615 20 0 CHADMM O=c1c2c([n-]n1[C@@H]1CCc3c1cccc3F)CCCCC2 ZINC000634632166 1129122518 /nfs/dbraw/zinc/12/25/18/1129122518.db2.gz LATNLNURQVLXKF-CZUORRHYSA-N -1 1 286.350 3.592 20 0 CHADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675863 1123480226 /nfs/dbraw/zinc/48/02/26/1123480226.db2.gz CVJJGERAUDRMLH-RKDXNWHRSA-N -1 1 285.746 3.950 20 0 CHADMM CCc1ccc([C@H]([N-]C(=O)C(F)(F)F)C(C)C)cc1 ZINC000112825743 1123501995 /nfs/dbraw/zinc/50/19/95/1123501995.db2.gz ONQBZIRBBMWNKI-GFCCVEGCSA-N -1 1 273.298 3.625 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](C2CCC2)C1 ZINC000856174570 1123549913 /nfs/dbraw/zinc/54/99/13/1123549913.db2.gz ZZKAHKPSTWSXAN-LBPRGKRZSA-N -1 1 293.794 3.698 20 0 CHADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1N1CCCC1 ZINC000011324858 1123575588 /nfs/dbraw/zinc/57/55/88/1123575588.db2.gz VHZJLPYBIQWUER-UHFFFAOYSA-N -1 1 296.370 3.553 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cl)o1 ZINC000339007033 1123619959 /nfs/dbraw/zinc/61/99/59/1123619959.db2.gz HYTFIWVEIOKNDB-UHFFFAOYSA-N -1 1 272.087 3.544 20 0 CHADMM CCCC[C@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858388800 1123650271 /nfs/dbraw/zinc/65/02/71/1123650271.db2.gz XTJORJGGDQRRLF-VHSXEESVSA-N -1 1 269.776 3.606 20 0 CHADMM O=c1nc(NCCCCCc2ccccc2)cc(Cl)[n-]1 ZINC000858388538 1123650339 /nfs/dbraw/zinc/65/03/39/1123650339.db2.gz RZUJWBHERYXTHU-UHFFFAOYSA-N -1 1 291.782 3.661 20 0 CHADMM CO[C@H](C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862294462 1123799052 /nfs/dbraw/zinc/79/90/52/1123799052.db2.gz KLXGWKGLARSORA-SECBINFHSA-N -1 1 293.750 3.562 20 0 CHADMM C[C@H](NC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001202506979 1123822321 /nfs/dbraw/zinc/82/23/21/1123822321.db2.gz JBHVBPPKKBZHPD-JTQLQIEISA-N -1 1 290.750 3.928 20 0 CHADMM COc1c(Nc2cc(F)c([O-])c(F)c2)ccc(F)c1F ZINC001211897631 1123864618 /nfs/dbraw/zinc/86/46/18/1123864618.db2.gz BYQVETSVVDDSIL-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CN(C)c1cc(F)cc(NCc2cccc([O-])c2Cl)c1 ZINC000864016909 1123909863 /nfs/dbraw/zinc/90/98/63/1123909863.db2.gz 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/nfs/dbraw/zinc/08/67/77/1124086777.db2.gz XWYCHPVSLXDVSL-YIXGCBLDSA-N -1 1 274.295 3.785 20 0 CHADMM CC(C)(C)/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445475003 1124087013 /nfs/dbraw/zinc/08/70/13/1124087013.db2.gz SFJGGPHGFSPLGN-VOTSOKGWSA-N -1 1 262.284 3.641 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCC[C@@H](F)C1 ZINC001119996406 1131270495 /nfs/dbraw/zinc/27/04/95/1131270495.db2.gz YMYTYGMFNIPSLN-JGVFFNPUSA-N -1 1 289.709 3.652 20 0 CHADMM CCOc1ccc2nc(-c3cc(C)oc3C)[n-]c(=O)c2c1 ZINC000871601076 1124619366 /nfs/dbraw/zinc/61/93/66/1124619366.db2.gz DOOJNDZRWJVORX-UHFFFAOYSA-N -1 1 284.315 3.611 20 0 CHADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948748 1124654737 /nfs/dbraw/zinc/65/47/37/1124654737.db2.gz BFAJDAMBJPVZLY-GXTWGEPZSA-N -1 1 270.376 3.772 20 0 CHADMM CCCc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CC ZINC000871964503 1124655406 /nfs/dbraw/zinc/65/54/06/1124655406.db2.gz RDXVSUHSOPLNED-UONOGXRCSA-N -1 1 292.423 3.503 20 0 CHADMM C/C(=C\c1ccc([O-])c(Br)c1)c1ncccn1 ZINC000821017630 1131314780 /nfs/dbraw/zinc/31/47/80/1131314780.db2.gz KNVLQIWGHPVRTK-VQHVLOKHSA-N -1 1 291.148 3.505 20 0 CHADMM CC(C)(C)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)co1 ZINC000821148909 1131322017 /nfs/dbraw/zinc/32/20/17/1131322017.db2.gz YQNFHAZXKFNEIA-UHFFFAOYSA-N -1 1 294.738 3.583 20 0 CHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000529545411 1124989069 /nfs/dbraw/zinc/98/90/69/1124989069.db2.gz RHFZYNYTGIYPKQ-UHFFFAOYSA-N -1 1 275.735 3.937 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCCC2(F)F)n1 ZINC000450911713 1125119711 /nfs/dbraw/zinc/11/97/11/1125119711.db2.gz RQPXJXWANUIYHD-VIFPVBQESA-N -1 1 288.363 3.662 20 0 CHADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666028478 1125255223 /nfs/dbraw/zinc/25/52/23/1125255223.db2.gz UMBACMSYMWZYAJ-IUODEOHRSA-N -1 1 298.386 3.591 20 0 CHADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000880236936 1125258228 /nfs/dbraw/zinc/25/82/28/1125258228.db2.gz MKPWUDLQDOATEJ-PSLIRLAXSA-N -1 1 283.318 3.825 20 0 CHADMM CCOC(=O)c1nc2cc(-c3cccc(C)c3)ccc2[n-]1 ZINC001239489091 1131343052 /nfs/dbraw/zinc/34/30/52/1131343052.db2.gz KSGAFJQNHGDEIO-UHFFFAOYSA-N -1 1 280.327 3.715 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3cccc(C)c3)cc2[n-]1 ZINC001239489091 1131343055 /nfs/dbraw/zinc/34/30/55/1131343055.db2.gz KSGAFJQNHGDEIO-UHFFFAOYSA-N -1 1 280.327 3.715 20 0 CHADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])CC(F)F ZINC000648471102 1125350770 /nfs/dbraw/zinc/35/07/70/1125350770.db2.gz FMUZYTBUTQHNCS-SNVBAGLBSA-N -1 1 293.313 3.567 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc(C)cc1 ZINC000132885997 1125425537 /nfs/dbraw/zinc/42/55/37/1125425537.db2.gz GECQFMFIKUDHRM-UHFFFAOYSA-N -1 1 273.307 3.506 20 0 CHADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc(C)c1O ZINC001211919678 1125435203 /nfs/dbraw/zinc/43/52/03/1125435203.db2.gz YXYHDKWFQKJOSZ-UHFFFAOYSA-N -1 1 295.342 3.644 20 0 CHADMM CCCC[C@@H](C(=O)Nc1c([O-])cccc1F)C(C)C ZINC000621871353 1129201439 /nfs/dbraw/zinc/20/14/39/1129201439.db2.gz JJMWHWFHOVPOSK-LLVKDONJSA-N -1 1 267.344 3.932 20 0 CHADMM Cc1cnc([C@@H](C)NCc2cccc([O-])c2Cl)s1 ZINC000293556344 1129211436 /nfs/dbraw/zinc/21/14/36/1129211436.db2.gz LSYHEZSGXOXGGD-SECBINFHSA-N -1 1 282.796 3.661 20 0 CHADMM [O-]c1cccc(CNc2ccc(-n3cccn3)cc2)c1Cl ZINC000336886040 1129225922 /nfs/dbraw/zinc/22/59/22/1129225922.db2.gz BHCOGOQMUCBJOG-UHFFFAOYSA-N -1 1 299.761 3.843 20 0 CHADMM CCc1ccc(C(=O)Nc2ncc(C(C)C)s2)c([O-])c1 ZINC000622393524 1129255620 /nfs/dbraw/zinc/25/56/20/1129255620.db2.gz KKWFTMYHGOHGKU-UHFFFAOYSA-N -1 1 290.388 3.787 20 0 CHADMM C[C@@H]1CC(NC(=O)c2c([O-])cccc2Cl)C[C@@H](C)C1 ZINC000740142704 1129411318 /nfs/dbraw/zinc/41/13/18/1129411318.db2.gz WPJGDDXMFZEYEJ-UWVGGRQHSA-N -1 1 281.783 3.600 20 0 CHADMM Cc1ccc(SCC(=O)c2ccc([O-])cc2)cc1C ZINC000035044952 1129427493 /nfs/dbraw/zinc/42/74/93/1129427493.db2.gz RSHNITDHVBZEOV-UHFFFAOYSA-N -1 1 272.369 3.984 20 0 CHADMM [O-]c1cc(F)c(-c2c(F)cc(F)cc2F)c(F)c1 ZINC001241122481 1129459956 /nfs/dbraw/zinc/45/99/56/1129459956.db2.gz PBKGWIHCLBXJQK-UHFFFAOYSA-N -1 1 260.161 3.755 20 0 CHADMM CCOc1ccc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241122180 1129461352 /nfs/dbraw/zinc/46/13/52/1129461352.db2.gz VYYMAVADAVKRLX-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM [O-]c1ccc(F)c(-c2ccc(C(F)F)cn2)c1F ZINC001241293911 1129509881 /nfs/dbraw/zinc/50/98/81/1129509881.db2.gz QKFYRVQFASBGLX-UHFFFAOYSA-N -1 1 257.186 3.670 20 0 CHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743720211 1129535401 /nfs/dbraw/zinc/53/54/01/1129535401.db2.gz VCDFNUCKOALZMF-VHSXEESVSA-N -1 1 269.772 3.600 20 0 CHADMM CCCN(CC(C)C)C(=O)c1c([O-])cccc1Cl ZINC000746233161 1129628907 /nfs/dbraw/zinc/62/89/07/1129628907.db2.gz QKHUPLBZXKWINE-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM CC(=O)Nc1cc(F)c(-c2ccc(F)cc2[O-])cc1C ZINC001242217288 1129683602 /nfs/dbraw/zinc/68/36/02/1129683602.db2.gz AARSZBKEXTYIDQ-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]4C=C[C@H]3CC4)n2)cc1F ZINC000650590653 1129714710 /nfs/dbraw/zinc/71/47/10/1129714710.db2.gz DCMBBRDFFWGFLW-JFGNBEQYSA-N -1 1 286.306 3.651 20 0 CHADMM O=C(NCC1CCCCCCC1)c1ccc([O-])c(F)c1 ZINC000767305251 1129784494 /nfs/dbraw/zinc/78/44/94/1129784494.db2.gz NZOMHQCWCFBNEC-UHFFFAOYSA-N -1 1 279.355 3.622 20 0 CHADMM CCOC(=O)c1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242350199 1129790551 /nfs/dbraw/zinc/79/05/51/1129790551.db2.gz CGPYMHBQRCJQCH-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM COCOc1ccc(OC)cc1-c1cccc(Cl)c1[O-] ZINC001242365440 1129796806 /nfs/dbraw/zinc/79/68/06/1129796806.db2.gz CVXGEZWLEPXRFH-UHFFFAOYSA-N -1 1 294.734 3.704 20 0 CHADMM Cc1cc(-c2cccc(Cl)c2[O-])cn2ccnc12 ZINC001242366085 1129797672 /nfs/dbraw/zinc/79/76/72/1129797672.db2.gz GCCMZLXZFOYGTR-UHFFFAOYSA-N -1 1 258.708 3.669 20 0 CHADMM CCC(C)(CC)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000767610644 1129799647 /nfs/dbraw/zinc/79/96/47/1129799647.db2.gz LTYZFLLTDABBJS-UHFFFAOYSA-N -1 1 292.375 3.507 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])C1CCCCCCC1 ZINC000768258245 1129846556 /nfs/dbraw/zinc/84/65/56/1129846556.db2.gz LSVATRSNVXFQGH-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM C/C(=C/C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000768259194 1129848453 /nfs/dbraw/zinc/84/84/53/1129848453.db2.gz QYTMWFQEMPYKGU-LUAWRHEFSA-N -1 1 271.291 3.573 20 0 CHADMM CC(C)c1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000768273427 1129849207 /nfs/dbraw/zinc/84/92/07/1129849207.db2.gz ZHTVFNPIMZZHSI-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1c1ccccc1 ZINC000768445785 1129858326 /nfs/dbraw/zinc/85/83/26/1129858326.db2.gz CSMXGEZGIBXVDD-INIZCTEOSA-N -1 1 299.345 3.899 20 0 CHADMM CCCC[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000800276338 1129862380 /nfs/dbraw/zinc/86/23/80/1129862380.db2.gz LEUYULJWOIBLFH-GFCCVEGCSA-N -1 1 292.375 3.507 20 0 CHADMM CC(C)[C@@H](C)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769728935 1129922017 /nfs/dbraw/zinc/92/20/17/1129922017.db2.gz BRFSEEPOMGSTPR-SNVBAGLBSA-N -1 1 281.783 3.695 20 0 CHADMM O=c1cc(-c2ccccc2)nc(SCC2CCC2)[n-]1 ZINC000901618042 1129939284 /nfs/dbraw/zinc/93/92/84/1129939284.db2.gz BGJTZORWJRNPHG-UHFFFAOYSA-N -1 1 272.373 3.741 20 0 CHADMM CCCc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000901940726 1129966625 /nfs/dbraw/zinc/96/66/25/1129966625.db2.gz YOASLMUBSFKAOJ-UHFFFAOYSA-N -1 1 293.388 3.590 20 0 CHADMM CCCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000771200445 1129973114 /nfs/dbraw/zinc/97/31/14/1129973114.db2.gz ZUNZPUUSPGWBTR-UHFFFAOYSA-N -1 1 264.300 3.704 20 0 CHADMM CC[C@](C)(NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000902233875 1129992946 /nfs/dbraw/zinc/99/29/46/1129992946.db2.gz FFEZYTUJQNBZPC-KRWDZBQOSA-N -1 1 287.359 3.701 20 0 CHADMM CC(C)[C@H](NCc1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000902380081 1130004574 /nfs/dbraw/zinc/00/45/74/1130004574.db2.gz HQDLCLOPSKVURJ-HNNXBMFYSA-N -1 1 291.322 3.604 20 0 CHADMM COc1ncc2cc[nH]c2c1-c1cccc([O-])c1Cl ZINC001242800823 1130054617 /nfs/dbraw/zinc/05/46/17/1130054617.db2.gz PMVRYANVHBPBJL-UHFFFAOYSA-N -1 1 274.707 3.598 20 0 CHADMM COc1c(F)c(F)ccc1-c1cccc([O-])c1Cl ZINC001242803179 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Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001141948874 1132271506 /nfs/dbraw/zinc/27/15/06/1132271506.db2.gz DXLRCEKPXUEXBX-INIZCTEOSA-N -1 1 299.345 3.817 20 0 CHADMM C[C@H](Oc1ccccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001231228811 1132274685 /nfs/dbraw/zinc/27/46/85/1132274685.db2.gz KBLUYNVNJYUBNL-LBPRGKRZSA-N -1 1 282.339 3.801 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1OC1CC=CC1 ZINC001231230537 1132274711 /nfs/dbraw/zinc/27/47/11/1132274711.db2.gz NWTYYCIGVUDZKP-UHFFFAOYSA-N -1 1 280.323 3.721 20 0 CHADMM [O-]c1cc(Nc2cc(F)cc(CO)c2)c(F)cc1Cl ZINC001212748015 1132503432 /nfs/dbraw/zinc/50/34/32/1132503432.db2.gz XAZNEOITTKVKFR-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1cc(CN2CCCC[C@@H]2C(F)(F)F)cc(F)c1F ZINC001232971866 1132551532 /nfs/dbraw/zinc/55/15/32/1132551532.db2.gz QZKXWDXDDRNELU-LLVKDONJSA-N -1 1 295.251 3.587 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1csc2ccccc12 ZINC001151773113 1132574817 /nfs/dbraw/zinc/57/48/17/1132574817.db2.gz ZKXXQWHUECCTMK-UHFFFAOYSA-N -1 1 287.315 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UCUGCMMIPGMREH-YPMHNXCESA-N -1 1 289.331 3.544 20 0 CHADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000828410722 601045183 /nfs/dbraw/zinc/04/51/83/601045183.db2.gz CAPPDWIWKJUMTP-KBRIMQKVSA-N -1 1 281.355 3.505 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1cccs1 ZINC000568060447 601413086 /nfs/dbraw/zinc/41/30/86/601413086.db2.gz DCFYWZVIPFXFPB-JTQLQIEISA-N -1 1 293.388 3.795 20 0 CHADMM C[C@H](c1ccc(F)cc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000086755908 601842374 /nfs/dbraw/zinc/84/23/74/601842374.db2.gz ARRJUPMVHQSWAD-LLVKDONJSA-N -1 1 297.345 3.603 20 0 CHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000833630668 604762467 /nfs/dbraw/zinc/76/24/67/604762467.db2.gz WIJITLQWUMJSBE-SJKOYZFVSA-N -1 1 299.345 3.717 20 0 CHADMM CC(C)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820192547 606410871 /nfs/dbraw/zinc/41/08/71/606410871.db2.gz SVECCERAYBUGOI-UHFFFAOYSA-N -1 1 299.403 3.664 20 0 CHADMM O=C([O-])[C@H]1CN([C@@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082086 950808962 /nfs/dbraw/zinc/80/89/62/950808962.db2.gz XRBUQXMRJHPLAW-WBVHZDCISA-N -1 1 285.387 3.559 20 0 CHADMM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000050507847 957492918 /nfs/dbraw/zinc/49/29/18/957492918.db2.gz ALQXMTMTCIVTLY-BXUZGUMPSA-N -1 1 275.373 3.533 20 0 CHADMM Cc1oc(CN[C@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000235185752 960394574 /nfs/dbraw/zinc/39/45/74/960394574.db2.gz YLCZTAUOCVNBOU-SECBINFHSA-N -1 1 293.750 3.790 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000235190735 960395631 /nfs/dbraw/zinc/39/56/31/960395631.db2.gz CKYUFMUVOFNSDB-SECBINFHSA-N -1 1 293.750 3.790 20 0 CHADMM Cc1cc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)c(C)s1 ZINC000235194859 960396004 /nfs/dbraw/zinc/39/60/04/960396004.db2.gz DSUYSBJYUJKQSA-SNVBAGLBSA-N -1 1 293.388 3.815 20 0 CHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000235901895 960529112 /nfs/dbraw/zinc/52/91/12/960529112.db2.gz NTRTYGPPTDNVHW-OAHLLOKOSA-N -1 1 289.762 3.564 20 0 CHADMM C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603286824 972526227 /nfs/dbraw/zinc/52/62/27/972526227.db2.gz MCUDFFGUHLCNFB-QWRGUYRKSA-N -1 1 299.773 3.727 20 0 CHADMM C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000315873603 963944701 /nfs/dbraw/zinc/94/47/01/963944701.db2.gz AOXDTZASGBKNLK-WBMJQRKESA-N -1 1 299.370 3.733 20 0 CHADMM C[C@@H](c1ccccc1F)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000315954746 963958087 /nfs/dbraw/zinc/95/80/87/963958087.db2.gz IRVBPAJBZPEXKH-LRDDRELGSA-N -1 1 299.345 3.571 20 0 CHADMM O=C([O-])CCC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000124456715 967619505 /nfs/dbraw/zinc/61/95/05/967619505.db2.gz NLSYXVWFEIUVRW-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])c1coc(CNCc2ccc(C3CCCC3)cc2)c1 ZINC000417548076 973960836 /nfs/dbraw/zinc/96/08/36/973960836.db2.gz PSIWZQPGGQUCRP-UHFFFAOYSA-N -1 1 299.370 3.925 20 0 CHADMM Cc1cc([C@H](C)N(C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000567117133 974627486 /nfs/dbraw/zinc/62/74/86/974627486.db2.gz 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/nfs/dbraw/zinc/89/98/85/980899885.db2.gz JBIWCLNKRQQLOT-HOTGVXAUSA-N -1 1 299.370 3.952 20 0 CHADMM CC[C@H]1c2ccccc2CCN1Cc1cc(C)c(C(=O)[O-])[nH]1 ZINC001595505151 981281321 /nfs/dbraw/zinc/28/13/21/981281321.db2.gz YSDWCNZGAHGCIB-INIZCTEOSA-N -1 1 298.386 3.531 20 0 CHADMM CCCC[C@H](SCc1ccc2nc(C)[nH]c2c1)C(=O)[O-] ZINC001595657162 982060145 /nfs/dbraw/zinc/06/01/45/982060145.db2.gz JOPUUSRZWDJJAG-AWEZNQCLSA-N -1 1 292.404 3.748 20 0 CHADMM CCN(Cc1ccsc1C(=O)[O-])Cc1ccccc1F ZINC001596371943 983874594 /nfs/dbraw/zinc/87/45/94/983874594.db2.gz VTEICIUAQTUWMI-UHFFFAOYSA-N -1 1 293.363 3.608 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])Nc1cc(F)ccc1F ZINC001202657950 1125489048 /nfs/dbraw/zinc/48/90/48/1125489048.db2.gz JDPRYJZKEKMRHG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM C/C=C\C[C@@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686098 987061629 /nfs/dbraw/zinc/06/16/29/987061629.db2.gz MYBZRATTZBMNII-OPVGQWETSA-N -1 1 294.420 3.581 20 0 CHADMM CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 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C[C@H](c1ccccc1F)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716988 996233842 /nfs/dbraw/zinc/23/38/42/996233842.db2.gz GHTYCQVHKLHIJQ-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM CC[C@H](C)COC(=O)Nc1ccc(Cl)cc1[O-] ZINC001194806678 1122806966 /nfs/dbraw/zinc/80/69/66/1122806966.db2.gz LWSNNSPEXXSDGZ-QMMMGPOBSA-N -1 1 257.717 3.640 20 0 CHADMM CC(C)CC[C@@H]1CCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389566 1123650673 /nfs/dbraw/zinc/65/06/73/1123650673.db2.gz XLMIITSIVJQHPW-QWRGUYRKSA-N -1 1 283.803 3.852 20 0 CHADMM CC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001173901502 1132605735 /nfs/dbraw/zinc/60/57/35/1132605735.db2.gz VTYDIUYWPDLNCX-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C)o1 ZINC001157893712 1132754389 /nfs/dbraw/zinc/75/43/89/1132754389.db2.gz PERUFYSEFVOPNP-UHFFFAOYSA-N -1 1 283.686 3.647 20 0 CHADMM CSc1ccc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001215837363 1134699095 /nfs/dbraw/zinc/69/90/95/1134699095.db2.gz NKSFVZDAXIVRGE-UHFFFAOYSA-N -1 1 286.278 3.670 20 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3.606 20 0 CHADMM Cc1c(F)nccc1Nc1cc([O-])c(Cl)cc1F ZINC001212842555 1126716268 /nfs/dbraw/zinc/71/62/68/1126716268.db2.gz AFXWMDYOWVMXIY-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM Cc1ncc([N-]c2cc(-c3ccccc3)no2)s1 ZINC001212125509 1126753115 /nfs/dbraw/zinc/75/31/15/1126753115.db2.gz CNGFSVZAMIYUFE-UHFFFAOYSA-N -1 1 257.318 3.850 20 0 CHADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668263355 1126801700 /nfs/dbraw/zinc/80/17/00/1126801700.db2.gz QSNRSNKZUUUWEJ-CQSZACIVSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1sc(C)c2c1[n-]c(CCc1ncccc1C)nc2=O ZINC000905031693 1126888371 /nfs/dbraw/zinc/88/83/71/1126888371.db2.gz MFZVWMLVXLLNOY-UHFFFAOYSA-N -1 1 299.399 3.502 20 0 CHADMM C/C=C(/C=C\C(=O)Nc1ccc([O-])c(Cl)c1)CC ZINC000780991465 1130698207 /nfs/dbraw/zinc/69/82/07/1130698207.db2.gz IFWFJQBDMRTHME-IKJNXXLOSA-N -1 1 265.740 3.897 20 0 CHADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1(C)CCCC1 ZINC000907822419 1126986217 /nfs/dbraw/zinc/98/62/17/1126986217.db2.gz VDIWBPJVUCQMKH-UHFFFAOYSA-N -1 1 299.370 3.656 20 0 CHADMM CC1=CC[C@](C)(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909988607 1127043975 /nfs/dbraw/zinc/04/39/75/1127043975.db2.gz RZFCEUGHKPFJFH-HNNXBMFYSA-N -1 1 281.302 3.745 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986002 1127042469 /nfs/dbraw/zinc/04/24/69/1127042469.db2.gz WJVKUBBQTDTHDO-BQYQJAHWSA-N -1 1 269.291 3.601 20 0 CHADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000285742707 1127242661 /nfs/dbraw/zinc/24/26/61/1127242661.db2.gz LCDYNWDUTZZVAL-UHFFFAOYSA-N -1 1 294.738 3.718 20 0 CHADMM CCc1nc(S[C@@H]2CCC[C@@H](C)C2)[n-]c(=O)c1C ZINC000572975774 1127261106 /nfs/dbraw/zinc/26/11/06/1127261106.db2.gz BSJHOWVVPZAUHM-MWLCHTKSSA-N -1 1 266.410 3.724 20 0 CHADMM [O-]c1cc(-c2ccnc3ncccc32)ccc1Cl ZINC000718649208 1127271709 /nfs/dbraw/zinc/27/17/09/1127271709.db2.gz ZNHYPSGOUAGNIB-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM CCCC[C@H](OCCCC[P@](=O)([O-])O)[C@H](C)CCC ZINC001225018672 1127320567 /nfs/dbraw/zinc/32/05/67/1127320567.db2.gz DXMVFRKLIYIVGP-KGLIPLIRSA-N -1 1 294.372 3.956 20 0 CHADMM CCCC[C@H](CC)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019276 1127322459 /nfs/dbraw/zinc/32/24/59/1127322459.db2.gz VKKMEMLWTGEEAQ-KBPBESRZSA-N -1 1 294.372 3.956 20 0 CHADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000358597268 1127427939 /nfs/dbraw/zinc/42/79/39/1127427939.db2.gz GHJKXLKYQQLKCL-AWEZNQCLSA-N -1 1 298.386 3.537 20 0 CHADMM CCS[C@@H](C)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000596595848 1127509985 /nfs/dbraw/zinc/50/99/85/1127509985.db2.gz HCFGNKSPYYBVRR-QMMMGPOBSA-N -1 1 296.417 3.978 20 0 CHADMM CCC(CC)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001326234384 1127707324 /nfs/dbraw/zinc/70/73/24/1127707324.db2.gz MZVAOEBODNXFFK-UHFFFAOYSA-N -1 1 286.169 3.529 20 0 CHADMM CCCc1nc(C)c(C(=O)Nc2c([O-])cccc2F)s1 ZINC000605437154 1127735987 /nfs/dbraw/zinc/73/59/87/1127735987.db2.gz OVFVHMIKBCXABR-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc2c(s1)CCCC2 ZINC000605437996 1127736396 /nfs/dbraw/zinc/73/63/96/1127736396.db2.gz QXDVMTBCVZWXQC-UHFFFAOYSA-N -1 1 291.347 3.724 20 0 CHADMM Cc1cccc2c1CN(Cc1cccc([O-])c1Cl)C2 ZINC001232784878 1127853254 /nfs/dbraw/zinc/85/32/54/1127853254.db2.gz XHJWGDJACCDJRB-UHFFFAOYSA-N -1 1 273.763 3.870 20 0 CHADMM CC(C)(C)CCCC(=O)Nc1c([O-])cccc1F ZINC000608366091 1127862405 /nfs/dbraw/zinc/86/24/05/1127862405.db2.gz NGPNDNGWEUEZHV-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM CCc1ccc([C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367476 1127862501 /nfs/dbraw/zinc/86/25/01/1127862501.db2.gz ZZERWYWBNJEPAF-NSHDSACASA-N -1 1 287.334 3.836 20 0 CHADMM C[C@H](CC1CCCC1)C(=O)Nc1c([O-])cccc1F ZINC000608366120 1127862575 /nfs/dbraw/zinc/86/25/75/1127862575.db2.gz NRHXYXZJSNCRNJ-SNVBAGLBSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000608366216 1127862739 /nfs/dbraw/zinc/86/27/39/1127862739.db2.gz PJCXFCBGIXNGMX-SECBINFHSA-N -1 1 293.725 3.927 20 0 CHADMM CC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000336887238 1129224944 /nfs/dbraw/zinc/22/49/44/1129224944.db2.gz CPXWYRICJPRZHJ-UHFFFAOYSA-N -1 1 290.750 3.616 20 0 CHADMM CCCN(C(=O)c1ncccc1[O-])[C@H](CC)c1ccccc1 ZINC000494819014 1128202062 /nfs/dbraw/zinc/20/20/62/1128202062.db2.gz NAMANTVRTGRSQO-OAHLLOKOSA-N -1 1 298.386 3.791 20 0 CHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000494834844 1128204565 /nfs/dbraw/zinc/20/45/65/1128204565.db2.gz KMMQGZALJYYVFQ-HNNXBMFYSA-N -1 1 298.386 3.709 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000124889294 1128446492 /nfs/dbraw/zinc/44/64/92/1128446492.db2.gz KXGALQSNUAHMKH-SUMWQHHRSA-N -1 1 295.382 3.950 20 0 CHADMM C[C@H]1CC[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000126984520 1128471200 /nfs/dbraw/zinc/47/12/00/1128471200.db2.gz FFVSEKKUVFUPQT-VHSXEESVSA-N -1 1 267.756 3.810 20 0 CHADMM [O-]c1ccc(-c2noc([C@]34C[C@H]3CCC4)n2)c(Cl)c1 ZINC000565415108 1128526276 /nfs/dbraw/zinc/52/62/76/1128526276.db2.gz WZGKIMGJGXUQAR-XLKFXECMSA-N -1 1 276.723 3.537 20 0 CHADMM CC[C@@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000566748016 1128550501 /nfs/dbraw/zinc/55/05/01/1128550501.db2.gz HHXUFFQSOVSFCM-GFCCVEGCSA-N -1 1 260.362 3.734 20 0 CHADMM COc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000070333887 1128562175 /nfs/dbraw/zinc/56/21/75/1128562175.db2.gz LRJPTINUSGZQFC-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM C[C@H]1CCCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000070410731 1128563433 /nfs/dbraw/zinc/56/34/33/1128563433.db2.gz OGRTVZVZXJIVMQ-ZDUSSCGKSA-N -1 1 283.371 3.950 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000574085773 1128661458 /nfs/dbraw/zinc/66/14/58/1128661458.db2.gz AXTWXGKSIYGLIW-GHMZBOCLSA-N -1 1 295.329 3.825 20 0 CHADMM COc1ccc(C(=O)N(C)c2ccc(C(C)C)cc2)c([O-])c1 ZINC000159039795 1128673907 /nfs/dbraw/zinc/67/39/07/1128673907.db2.gz ZDYRKDDJOITVPO-UHFFFAOYSA-N -1 1 299.370 3.801 20 0 CHADMM CCC1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000920445236 1128681962 /nfs/dbraw/zinc/68/19/62/1128681962.db2.gz UHSRDQPBXOUYBG-UHFFFAOYSA-N -1 1 281.783 3.744 20 0 CHADMM Cc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1F ZINC000384456476 1128725650 /nfs/dbraw/zinc/72/56/50/1128725650.db2.gz LGFZBVCBUJVINS-GFCCVEGCSA-N -1 1 293.363 3.501 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)ccc1F ZINC000082192767 1117793775 /nfs/dbraw/zinc/79/37/75/1117793775.db2.gz LEIAIADAENQTDV-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM [O-]c1cc(F)c(-c2cccc(OC3CC3)c2)cc1F ZINC001206776060 1117879729 /nfs/dbraw/zinc/87/97/29/1117879729.db2.gz YOLIOJMGADTSSC-UHFFFAOYSA-N -1 1 262.255 3.879 20 0 CHADMM CCC[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000396779586 1117964450 /nfs/dbraw/zinc/96/44/50/1117964450.db2.gz FWWJDANFTSINFP-CQSZACIVSA-N -1 1 283.371 3.950 20 0 CHADMM CCc1nc(SCCCCOC(C)(C)C)[n-]c(=O)c1C ZINC000579496915 1128749534 /nfs/dbraw/zinc/74/95/34/1128749534.db2.gz VWHOYZZZNCBMGU-UHFFFAOYSA-N -1 1 298.452 3.740 20 0 CHADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000164690218 1118160481 /nfs/dbraw/zinc/16/04/81/1118160481.db2.gz OVMPCSWISSXVOM-LBPRGKRZSA-N -1 1 299.773 3.698 20 0 CHADMM CC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1O ZINC001210223450 1118212778 /nfs/dbraw/zinc/21/27/78/1118212778.db2.gz WOWXGIVOTISUSJ-UHFFFAOYSA-N -1 1 277.707 3.697 20 0 CHADMM CSc1c(F)cccc1C(=O)Nc1cccc(F)c1[O-] ZINC001648851013 1118257590 /nfs/dbraw/zinc/25/75/90/1118257590.db2.gz RRXVCALQTYCWCE-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM Cc1nc(SC[C@@H](C)CC(C)(C)C)[n-]c(=O)c1C ZINC001651901639 1118267712 /nfs/dbraw/zinc/26/77/12/1118267712.db2.gz YUVINRHCSOSJNQ-VIFPVBQESA-N -1 1 268.426 3.963 20 0 CHADMM CCc1nc(SCCC(C)(C)C)[n-]c(=O)c1C ZINC000579973960 1118267780 /nfs/dbraw/zinc/26/77/80/1118267780.db2.gz RGQFLXFFOWKHEV-UHFFFAOYSA-N -1 1 254.399 3.581 20 0 CHADMM C[C@@H](CCCC(C)(C)C(=O)[O-])NCC(F)(F)C(C)(C)C ZINC000902469971 1118361804 /nfs/dbraw/zinc/36/18/04/1118361804.db2.gz DFAVUAHEWVHPQR-NSHDSACASA-N -1 1 293.398 3.927 20 0 CHADMM O=C(NC1CCC(C2CCC2)CC1)c1ccc([O-])c(F)c1 ZINC001167352211 1118379111 /nfs/dbraw/zinc/37/91/11/1118379111.db2.gz FMGOXZNMFROQQG-UHFFFAOYSA-N -1 1 291.366 3.620 20 0 CHADMM Cn1c2ccccc2nc1Nc1cccc([S-])c1 ZINC001210945762 1118428247 /nfs/dbraw/zinc/42/82/47/1118428247.db2.gz UIXOSLZUJQTAGD-UHFFFAOYSA-N -1 1 255.346 3.606 20 0 CHADMM COC(=O)c1oc2cc(F)ccc2c1[N-]c1nccs1 ZINC001210991698 1118436936 /nfs/dbraw/zinc/43/69/36/1118436936.db2.gz SLVJZUQGRVGOLH-UHFFFAOYSA-N -1 1 292.291 3.559 20 0 CHADMM Cc1cc2cc(-c3cc(F)c([O-])cc3F)cnc2[nH]1 ZINC001211340466 1118505586 /nfs/dbraw/zinc/50/55/86/1118505586.db2.gz VOHPQYRJJSICPP-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM COc1ccc(C)cc1-c1cc(F)c([O-])cc1F ZINC001211340188 1118505607 /nfs/dbraw/zinc/50/56/07/1118505607.db2.gz SYEZMZWGVBEPAZ-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(OC(F)F)cc2)cc1F ZINC001211339106 1118505680 /nfs/dbraw/zinc/50/56/80/1118505680.db2.gz LGHOXZODHLBMFU-UHFFFAOYSA-N -1 1 272.197 3.939 20 0 CHADMM CCOC(=O)c1cc(C)ccc1-c1cc(F)c([O-])cc1F ZINC001211339895 1118505706 /nfs/dbraw/zinc/50/57/06/1118505706.db2.gz QENMOQHFCJEBBC-UHFFFAOYSA-N -1 1 292.281 3.823 20 0 CHADMM Cc1[nH]c2ncc(-c3cc(F)c([O-])cc3F)cc2c1C ZINC001211353506 1118506977 /nfs/dbraw/zinc/50/69/77/1118506977.db2.gz XCCBYNKJEQOSOX-UHFFFAOYSA-N -1 1 274.270 3.831 20 0 CHADMM Cc1ccc2cc(C(=O)Nc3c([O-])cccc3F)[nH]c2c1 ZINC000605437039 1118623561 /nfs/dbraw/zinc/62/35/61/1118623561.db2.gz OBHMQWMVNNCBRB-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM Cc1ncccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000091497360 1118792733 /nfs/dbraw/zinc/79/27/33/1118792733.db2.gz IGQFKURVRWDIAZ-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CC(C)N(Cc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000132871245 1118857835 /nfs/dbraw/zinc/85/78/35/1118857835.db2.gz PYQJQNSMAHUTLK-UHFFFAOYSA-N -1 1 293.363 3.644 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCCc2sccc21 ZINC000684784859 1119028619 /nfs/dbraw/zinc/02/86/19/1119028619.db2.gz ZGNXLVVXFHVYNU-UHFFFAOYSA-N -1 1 291.347 3.576 20 0 CHADMM CC(=O)c1cccc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000339572222 1119113463 /nfs/dbraw/zinc/11/34/63/1119113463.db2.gz BCSDFELWHVNBCS-UHFFFAOYSA-N -1 1 278.311 3.513 20 0 CHADMM CCc1nc(SCCCc2ccsc2)[n-]c(=O)c1C ZINC000583333143 1119341547 /nfs/dbraw/zinc/34/15/47/1119341547.db2.gz HKMSDRJGURQTMD-UHFFFAOYSA-N -1 1 294.445 3.839 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3ocnc32)cc1F ZINC001213381919 1119341715 /nfs/dbraw/zinc/34/17/15/1119341715.db2.gz PNDHWTOKYQNWNY-UHFFFAOYSA-N -1 1 262.215 3.555 20 0 CHADMM Cc1nc2ccc(Nc3ccnc(Cl)c3[O-])cc2o1 ZINC001213064741 1119511351 /nfs/dbraw/zinc/51/13/51/1119511351.db2.gz DOBSTQMHQBGIFE-UHFFFAOYSA-N -1 1 275.695 3.634 20 0 CHADMM O=C(NOC1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000779322309 1128871085 /nfs/dbraw/zinc/87/10/85/1128871085.db2.gz SZWHBDOVDGZONO-UHFFFAOYSA-N -1 1 285.343 3.540 20 0 CHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1c([O-])cccc1F ZINC000613026588 1119851283 /nfs/dbraw/zinc/85/12/83/1119851283.db2.gz GLGNWBICJWQFLS-FZMZJTMJSA-N -1 1 299.292 3.685 20 0 CHADMM Cc1csc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000334368623 1119966676 /nfs/dbraw/zinc/96/66/76/1119966676.db2.gz SPRFLBIGQAGPLC-UHFFFAOYSA-N -1 1 267.737 3.668 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1Cl ZINC000181037308 1120101847 /nfs/dbraw/zinc/10/18/47/1120101847.db2.gz FRIHXXQAKBTILX-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM CCC(CC)[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000677799072 1120255974 /nfs/dbraw/zinc/25/59/74/1120255974.db2.gz TXVJUPSTNHWMJW-SECBINFHSA-N -1 1 253.317 3.542 20 0 CHADMM CC(C)(C)c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480827 1120358848 /nfs/dbraw/zinc/35/88/48/1120358848.db2.gz KYXQSESXGVTVIV-UHFFFAOYSA-N -1 1 295.342 3.802 20 0 CHADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000673395056 1120466084 /nfs/dbraw/zinc/46/60/84/1120466084.db2.gz VJQVZHWEWHINHG-DGCLKSJQSA-N -1 1 293.382 3.818 20 0 CHADMM C[C@@H]([C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417634316 1120466791 /nfs/dbraw/zinc/46/67/91/1120466791.db2.gz CFQXGKRPQAEZMD-SJKOYZFVSA-N -1 1 299.370 3.536 20 0 CHADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000019839931 1120471824 /nfs/dbraw/zinc/47/18/24/1120471824.db2.gz LIWFRJRYQGJAQU-BETUJISGSA-N -1 1 283.371 3.949 20 0 CHADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])nc1 ZINC000019836547 1120527848 /nfs/dbraw/zinc/52/78/48/1120527848.db2.gz ANFJAWUXHJKWLZ-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM C[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000019837074 1120527965 /nfs/dbraw/zinc/52/79/65/1120527965.db2.gz IOHGPELTSOFSAA-LBPRGKRZSA-N -1 1 269.344 3.560 20 0 CHADMM CC(C)Sc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000109890532 1120631459 /nfs/dbraw/zinc/63/14/59/1120631459.db2.gz SBJGYYKTFWXMBC-UHFFFAOYSA-N -1 1 288.372 3.540 20 0 CHADMM CC(C)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000048606360 1120835633 /nfs/dbraw/zinc/83/56/33/1120835633.db2.gz XIDQNECCTQPUTI-UHFFFAOYSA-N -1 1 270.357 3.775 20 0 CHADMM CCN(Cc1ccoc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652408108 1120856245 /nfs/dbraw/zinc/85/62/45/1120856245.db2.gz AAHNFXZGKYJIDW-UHFFFAOYSA-N -1 1 293.750 3.653 20 0 CHADMM COc1c(F)cc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001211684552 1120874817 /nfs/dbraw/zinc/87/48/17/1120874817.db2.gz FNWNMOWVWPQVBL-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CSc1ccc([O-])c(-c2nc(C3CCCC3)no2)c1 ZINC000663302736 1120917122 /nfs/dbraw/zinc/91/71/22/1120917122.db2.gz RJCPXZKJYGQLPN-UHFFFAOYSA-N -1 1 276.361 3.822 20 0 CHADMM Cc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000094138295 1120966536 /nfs/dbraw/zinc/96/65/36/1120966536.db2.gz DCLJXYVDKYXSDL-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM CCCCCC[C@H](CC)CN(C)C(=O)c1ccc([O-])cn1 ZINC001167821510 1120988040 /nfs/dbraw/zinc/98/80/40/1120988040.db2.gz CEEOVPIPKDFGMM-AWEZNQCLSA-N -1 1 292.423 3.856 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C ZINC000003581464 1121028086 /nfs/dbraw/zinc/02/80/86/1121028086.db2.gz XVDPIKPCULXQRJ-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1C ZINC001174829805 1121048205 /nfs/dbraw/zinc/04/82/05/1121048205.db2.gz NBARYYBKFZQTRY-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COc1cc(F)c(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001174929747 1121079744 /nfs/dbraw/zinc/07/97/44/1121079744.db2.gz CRRYXFTXSKMLNA-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=c1ccoc2ccc(Nc3cc([O-])c(F)c(F)c3)cc12 ZINC001174945506 1121107200 /nfs/dbraw/zinc/10/72/00/1121107200.db2.gz BTOGHEGUFWZSRI-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000674275620 1121112050 /nfs/dbraw/zinc/11/20/50/1121112050.db2.gz NNOKVHQEIAFCPE-VIFPVBQESA-N -1 1 267.756 3.810 20 0 CHADMM O=C(Nc1cccc(-c2cccs2)c1)c1cncc([O-])c1 ZINC000171868818 1121132810 /nfs/dbraw/zinc/13/28/10/1121132810.db2.gz VIDQLWYBGNWBSY-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(F)c(F)cc2F)cc1F ZINC001175086690 1121178605 /nfs/dbraw/zinc/17/86/05/1121178605.db2.gz LIRFFBJLMGNADR-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM [O-]c1cc(Nc2cc(F)c(F)cc2F)cc(F)c1F ZINC001175087520 1121180067 /nfs/dbraw/zinc/18/00/67/1121180067.db2.gz UZJOHEWBLRIFBF-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CCOc1ccc(C)cc1[N-]c1nnc(-c2ccco2)o1 ZINC001175123383 1121193069 /nfs/dbraw/zinc/19/30/69/1121193069.db2.gz TTWWVEFXTOHRHX-UHFFFAOYSA-N -1 1 285.303 3.780 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1c(F)cc(F)cc1F ZINC001175146340 1121202659 /nfs/dbraw/zinc/20/26/59/1121202659.db2.gz OYIFZIGTKYKTQG-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Cc1ccc(C)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001175162655 1121209470 /nfs/dbraw/zinc/20/94/70/1121209470.db2.gz NNFMVNXHQABKAG-UHFFFAOYSA-N -1 1 255.277 3.690 20 0 CHADMM CC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001175233553 1121235596 /nfs/dbraw/zinc/23/55/96/1121235596.db2.gz AYXJYXKQNAOWJC-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CCOc1ccc(Nc2c([O-])cc(F)cc2F)c(F)c1 ZINC001175247999 1121245845 /nfs/dbraw/zinc/24/58/45/1121245845.db2.gz DQUNTARWZZRUSD-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COc1ccc(C(C)=O)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270312 1121270707 /nfs/dbraw/zinc/27/07/07/1121270707.db2.gz XLXXOZRKIXLKSV-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM C[S@](=O)c1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001175308344 1121277874 /nfs/dbraw/zinc/27/78/74/1121277874.db2.gz KPAUYJJDGOPNHL-IBGZPJMESA-N -1 1 299.754 3.666 20 0 CHADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001175326549 1121284649 /nfs/dbraw/zinc/28/46/49/1121284649.db2.gz SOHDDPYBTDAUCB-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c(F)c1 ZINC001175327078 1121284678 /nfs/dbraw/zinc/28/46/78/1121284678.db2.gz FKRMRUSVJGEPHW-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001175398967 1121290083 /nfs/dbraw/zinc/29/00/83/1121290083.db2.gz ATZADQGIBHFICF-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM [O-]c1cc(Nc2cnc3cccnc3c2)c(F)cc1Cl ZINC001175358509 1121296756 /nfs/dbraw/zinc/29/67/56/1121296756.db2.gz IMYPCPOTTDKUGC-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM Cc1ccnc(F)c1Nc1cc([O-])c(Cl)cc1F ZINC001212558460 1121302273 /nfs/dbraw/zinc/30/22/73/1121302273.db2.gz MGHVEKGEHDIWRF-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM CO[C@@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)CC(C)C ZINC000631023378 1128978975 /nfs/dbraw/zinc/97/89/75/1128978975.db2.gz OYNKOMLGNIBMBX-GFCCVEGCSA-N -1 1 296.436 3.521 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cccc(CO)c2)c1Cl ZINC001175513331 1121355598 /nfs/dbraw/zinc/35/55/98/1121355598.db2.gz VZCVXDZAJRTLCG-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM C[C@H](C1CC1)n1nccc1NCc1cccc([O-])c1Cl ZINC000339221834 1121365281 /nfs/dbraw/zinc/36/52/81/1121365281.db2.gz KQJWOANCWXIIAH-SNVBAGLBSA-N -1 1 291.782 3.825 20 0 CHADMM CSc1ccc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001175658630 1121423306 /nfs/dbraw/zinc/42/33/06/1121423306.db2.gz XULHIYHNFVEXGA-UHFFFAOYSA-N -1 1 268.288 3.531 20 0 CHADMM COc1cccc2[nH]c(Nc3ccc(F)c(F)c3[O-])cc21 ZINC001176066552 1121546923 /nfs/dbraw/zinc/54/69/23/1121546923.db2.gz SZKZCKFVGHMTFW-UHFFFAOYSA-N -1 1 290.269 3.904 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cncc(C2CC2)c1 ZINC001176285169 1121588896 /nfs/dbraw/zinc/58/88/96/1121588896.db2.gz UHJPJKQSTJIWIJ-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM Fc1cc(F)c([N-]c2noc3cccnc23)c(F)c1F ZINC001176347745 1121604659 /nfs/dbraw/zinc/60/46/59/1121604659.db2.gz ZCGWAPHLNUFUNN-UHFFFAOYSA-N -1 1 283.184 3.523 20 0 CHADMM O=C(OCc1ccccc1Cl)c1ccc([O-])cc1F ZINC000773568993 1121613859 /nfs/dbraw/zinc/61/38/59/1121613859.db2.gz KBHVQZOUHJRGLX-UHFFFAOYSA-N -1 1 280.682 3.542 20 0 CHADMM Cc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001176396184 1121624880 /nfs/dbraw/zinc/62/48/80/1121624880.db2.gz LQPZQYIHZLDZRD-UHFFFAOYSA-N -1 1 270.119 3.541 20 0 CHADMM Cc1ccc(C=CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001176425662 1121633732 /nfs/dbraw/zinc/63/37/32/1121633732.db2.gz ZNXXYGCEHIJCEB-ZRDIBKRKSA-N -1 1 291.354 3.969 20 0 CHADMM CC(C)Oc1cc(Nc2ccnc(Cl)c2[O-])c(F)cn1 ZINC001176481714 1121636502 /nfs/dbraw/zinc/63/65/02/1121636502.db2.gz QGILKSPIPOQFFW-UHFFFAOYSA-N -1 1 297.717 3.506 20 0 CHADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1F ZINC000090537734 1121658901 /nfs/dbraw/zinc/65/89/01/1121658901.db2.gz MPEYJUHVXRUGPH-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CC(C)(C)SCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000801658978 1129000484 /nfs/dbraw/zinc/00/04/84/1129000484.db2.gz QAGGKLSCSMNDKX-UHFFFAOYSA-N -1 1 284.450 3.683 20 0 CHADMM Cc1nnc([N-]c2cc(Cl)ccc2OC(C)C)o1 ZINC001176644359 1121667512 /nfs/dbraw/zinc/66/75/12/1121667512.db2.gz VCIZWNVMEHQCSY-UHFFFAOYSA-N -1 1 267.716 3.562 20 0 CHADMM CCOc1cc([N-]c2nc3ccc(F)cc3o2)c(F)cn1 ZINC001176600243 1121668809 /nfs/dbraw/zinc/66/88/09/1121668809.db2.gz BPRVYMIKGJICOF-UHFFFAOYSA-N -1 1 291.257 3.643 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2C2CC2)c1F ZINC001176663865 1121670772 /nfs/dbraw/zinc/67/07/72/1121670772.db2.gz OADPALJKEZWGSX-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ncnc3sccc32)c1F ZINC001176664108 1121670993 /nfs/dbraw/zinc/67/09/93/1121670993.db2.gz TVRBHRUTAFJCJK-UHFFFAOYSA-N -1 1 297.261 3.558 20 0 CHADMM CN(C)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670112 1121671182 /nfs/dbraw/zinc/67/11/82/1121671182.db2.gz RRZPLVPTEMEWGC-UHFFFAOYSA-N -1 1 282.265 3.619 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2C2CC2)c1F ZINC001176664599 1121671666 /nfs/dbraw/zinc/67/16/66/1121671666.db2.gz VHKQDHHPFGCNED-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)ncc2F)c1F ZINC001176663911 1121671741 /nfs/dbraw/zinc/67/17/41/1121671741.db2.gz NNXGDORAXFFCGW-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)c2F)c1F ZINC001176669153 1121672120 /nfs/dbraw/zinc/67/21/20/1121672120.db2.gz DZLNZOHUZVCUDM-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2c(F)ccc(F)c2F)c1F ZINC001176672093 1121673041 /nfs/dbraw/zinc/67/30/41/1121673041.db2.gz SVOSZTWRJGPGBX-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM CC(=O)Nc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671342 1121673550 /nfs/dbraw/zinc/67/35/50/1121673550.db2.gz AJMOFRHKHJRFMS-UHFFFAOYSA-N -1 1 296.248 3.512 20 0 CHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001177109348 1121713843 /nfs/dbraw/zinc/71/38/43/1121713843.db2.gz GAJLECGJSMDMHK-BFHYXJOUSA-N -1 1 291.366 3.842 20 0 CHADMM O=C(OC/C=C/Cl)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362956 1121804483 /nfs/dbraw/zinc/80/44/83/1121804483.db2.gz YBBLLEJTVNJXCX-DAFODLJHSA-N -1 1 281.522 3.608 20 0 CHADMM Cc1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001179309094 1121867459 /nfs/dbraw/zinc/86/74/59/1121867459.db2.gz WKVLOMXGQPKQOT-UHFFFAOYSA-N -1 1 297.333 3.638 20 0 CHADMM O=C(Nc1cccc(-c2ccccc2)c1)c1cncc([O-])c1 ZINC000345648845 1121902227 /nfs/dbraw/zinc/90/22/27/1121902227.db2.gz HLSLLLQTUNZNLM-UHFFFAOYSA-N -1 1 290.322 3.707 20 0 CHADMM [O-]c1ccc(F)c(Cc2ccccc2F)c1Cl ZINC001249987318 1122015272 /nfs/dbraw/zinc/01/52/72/1122015272.db2.gz DLVVXGYZMWKURA-UHFFFAOYSA-N -1 1 254.663 3.915 20 0 CHADMM COc1cc(Cl)ccc1NCc1ccc([O-])c(F)c1F ZINC001181102650 1122033540 /nfs/dbraw/zinc/03/35/40/1122033540.db2.gz PPLUJJCUGLSEMK-UHFFFAOYSA-N -1 1 299.704 3.945 20 0 CHADMM Nc1cc(Cl)ncc1Nc1cc(Cl)c([O-])cc1F ZINC001250020258 1122077563 /nfs/dbraw/zinc/07/75/63/1122077563.db2.gz HMMADQIEZKCEBA-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)cc2ccoc21 ZINC001183054803 1122203267 /nfs/dbraw/zinc/20/32/67/1122203267.db2.gz UKAFFTNPYLKXQI-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000273188287 1122223274 /nfs/dbraw/zinc/22/32/74/1122223274.db2.gz MQBPHAQOCRNWML-CMPLNLGQSA-N -1 1 297.782 3.579 20 0 CHADMM [O-]c1cc(F)c(Cc2cccc3cccnc32)cc1F ZINC001250193365 1122345672 /nfs/dbraw/zinc/34/56/72/1122345672.db2.gz JSZRARCHEYPNPQ-UHFFFAOYSA-N -1 1 271.266 3.809 20 0 CHADMM [O-]c1ccc(F)c(Nc2csc3nccnc23)c1Cl ZINC001250228988 1122375166 /nfs/dbraw/zinc/37/51/66/1122375166.db2.gz RLYZEXDQPLFZHH-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 CHADMM Brc1cccc2nc([N-]c3cnoc3)sc21 ZINC001203232765 1122379122 /nfs/dbraw/zinc/37/91/22/1122379122.db2.gz YZYCFYCASRCNDM-UHFFFAOYSA-N -1 1 296.149 3.790 20 0 CHADMM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC001186234605 1122380331 /nfs/dbraw/zinc/38/03/31/1122380331.db2.gz VXIBXCMWGBIMCD-ZUZCIYMTSA-N -1 1 285.318 3.510 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC001186337608 1122386949 /nfs/dbraw/zinc/38/69/49/1122386949.db2.gz NLYRHZAHTOBCKF-QFYYESIMSA-N -1 1 285.318 3.510 20 0 CHADMM C[C@H](NC(=O)Nc1cc(Cl)ncc1[O-])C1CCCCC1 ZINC001186370368 1122387128 /nfs/dbraw/zinc/38/71/28/1122387128.db2.gz NGTLKJFQSPTELO-VIFPVBQESA-N -1 1 297.786 3.531 20 0 CHADMM CC[C@@H](C)C1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC001186339617 1122387205 /nfs/dbraw/zinc/38/72/05/1122387205.db2.gz LLFBBJBRMVDPRW-PNESKVBLSA-N -1 1 293.382 3.866 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001187642029 1122436679 /nfs/dbraw/zinc/43/66/79/1122436679.db2.gz QELDSVGJCYZQEV-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccccc2c1[O-] ZINC000620434664 1129056722 /nfs/dbraw/zinc/05/67/22/1129056722.db2.gz ZZSYQXWIMOBDSX-LQDVMPOASA-N -1 1 295.382 3.949 20 0 CHADMM O=C(Cc1c(F)ccc([O-])c1Cl)c1cccs1 ZINC001250308118 1122487253 /nfs/dbraw/zinc/48/72/53/1122487253.db2.gz YEFZSBBYFMEUCP-UHFFFAOYSA-N -1 1 270.712 3.672 20 0 CHADMM Cc1ccc(F)cc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC001189060628 1122487319 /nfs/dbraw/zinc/48/73/19/1122487319.db2.gz CRQKYBJBCRGGKQ-UHFFFAOYSA-N -1 1 278.352 3.539 20 0 CHADMM CCC(C)(C)CCSc1nc(C)c(C)c(=O)[n-]1 ZINC001189061689 1122488183 /nfs/dbraw/zinc/48/81/83/1122488183.db2.gz RNCFNZZSIYUBOZ-UHFFFAOYSA-N -1 1 254.399 3.717 20 0 CHADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(F)cc2[O-])[C@@H]1c1ccccc1 ZINC000435799901 1122489886 /nfs/dbraw/zinc/48/98/86/1122489886.db2.gz RHJHLKXYBVDQOV-CIISACIHSA-N -1 1 285.318 3.520 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@H]2CCc3ccccc32)n1 ZINC000436188133 1122519389 /nfs/dbraw/zinc/51/93/89/1122519389.db2.gz UIVJTORNHJRGNW-GFCCVEGCSA-N -1 1 286.400 3.567 20 0 CHADMM CCc1cc(=O)[n-]c(SCCCCC(F)(F)F)n1 ZINC000436194804 1122522569 /nfs/dbraw/zinc/52/25/69/1122522569.db2.gz AKKXQZOEJRRBQL-UHFFFAOYSA-N -1 1 280.315 3.569 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N(CC1CCC1)c1ccccc1 ZINC000436584915 1122564372 /nfs/dbraw/zinc/56/43/72/1122564372.db2.gz KHULCIZFCLWIPT-UHFFFAOYSA-N -1 1 299.345 3.978 20 0 CHADMM CCc1ncsc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436610570 1122565325 /nfs/dbraw/zinc/56/53/25/1122565325.db2.gz XOPWMQHJNWZROI-UHFFFAOYSA-N -1 1 290.388 3.787 20 0 CHADMM Cc1cccc(CNC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001190998489 1122566442 /nfs/dbraw/zinc/56/64/42/1122566442.db2.gz LQXLLIIWBFWJID-UHFFFAOYSA-N -1 1 290.750 3.676 20 0 CHADMM C[C@H](c1ccccc1)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000436646676 1122568714 /nfs/dbraw/zinc/56/87/14/1122568714.db2.gz ISIJDXHAEYDYSJ-GFCCVEGCSA-N -1 1 299.345 3.897 20 0 CHADMM Cc1nc(NC(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000436728902 1122577238 /nfs/dbraw/zinc/57/72/38/1122577238.db2.gz DCVFYKJWXDRBQP-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM CSC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000436869392 1122588848 /nfs/dbraw/zinc/58/88/48/1122588848.db2.gz CZTLZXOXZVCFFJ-UHFFFAOYSA-N -1 1 296.779 3.838 20 0 CHADMM CC(C)[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436873911 1122590205 /nfs/dbraw/zinc/59/02/05/1122590205.db2.gz QXTLFQAAJVFQMP-WDEREUQCSA-N -1 1 278.739 3.855 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H](F)c3ccccc3)n2)c(F)c1 ZINC000436878202 1122590399 /nfs/dbraw/zinc/59/03/99/1122590399.db2.gz IYWJJDUIBGOSSS-ZDUSSCGKSA-N -1 1 288.253 3.640 20 0 CHADMM Cc1ccc(Cc2noc(-c3ccc([O-])cc3F)n2)s1 ZINC000436883686 1122591481 /nfs/dbraw/zinc/59/14/81/1122591481.db2.gz BJOOXFFWNDCTKM-UHFFFAOYSA-N -1 1 290.319 3.542 20 0 CHADMM Cc1nc(NC(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000436896782 1122593697 /nfs/dbraw/zinc/59/36/97/1122593697.db2.gz UNCSRAYXSJSWBZ-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001191378196 1122593903 /nfs/dbraw/zinc/59/39/03/1122593903.db2.gz QBBZDQFORFQNGX-UHFFFAOYSA-N -1 1 295.701 3.532 20 0 CHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000436916803 1122594554 /nfs/dbraw/zinc/59/45/54/1122594554.db2.gz XULBZTGEADPDRN-LLVKDONJSA-N -1 1 281.783 3.696 20 0 CHADMM Cc1cc(NC(=O)Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001192391508 1122644485 /nfs/dbraw/zinc/64/44/85/1122644485.db2.gz JNOFILWXINCYDP-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1nc(-c2ccc(OC(F)(F)F)cc2[O-])ccc1F ZINC001250488136 1122657171 /nfs/dbraw/zinc/65/71/71/1122657171.db2.gz VIJSVOXZXRVCKP-UHFFFAOYSA-N -1 1 287.212 3.800 20 0 CHADMM CCCOC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001194123020 1122748202 /nfs/dbraw/zinc/74/82/02/1122748202.db2.gz XQOPETMWPWTCDP-UHFFFAOYSA-N -1 1 264.108 3.658 20 0 CHADMM CC[C@H](C)COC(=O)Nc1cccc([O-])c1Cl ZINC001194808348 1122807037 /nfs/dbraw/zinc/80/70/37/1122807037.db2.gz YTENVXRRCCYFEA-QMMMGPOBSA-N -1 1 257.717 3.640 20 0 CHADMM CC(C)CCOC(=O)Nc1c([O-])cccc1Cl ZINC001194875221 1122816293 /nfs/dbraw/zinc/81/62/93/1122816293.db2.gz WOJDWZOQUOQJHF-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM O=C(Nc1c([O-])cccc1Cl)Oc1ccc(F)cc1 ZINC001195036478 1122833592 /nfs/dbraw/zinc/83/35/92/1122833592.db2.gz VRKIPOHSFZMFNO-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048653001 1122861026 /nfs/dbraw/zinc/86/10/26/1122861026.db2.gz BTQNLVMNFCUVPX-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM Cc1cc(C)c(NC(=O)c2cc([O-])cnc2Cl)cc1C ZINC001195305331 1122862527 /nfs/dbraw/zinc/86/25/27/1122862527.db2.gz DYGSORKPZWHPMZ-UHFFFAOYSA-N -1 1 290.750 3.618 20 0 CHADMM CC(C)(C)CC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426743230 1122913052 /nfs/dbraw/zinc/91/30/52/1122913052.db2.gz NJEUCFYXGYTDJT-AWEZNQCLSA-N -1 1 289.375 3.802 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2)o1 ZINC000426794091 1122916005 /nfs/dbraw/zinc/91/60/05/1122916005.db2.gz SNUPLBDYGFSHDG-ZDUSSCGKSA-N -1 1 293.750 3.547 20 0 CHADMM Cc1cc([C@H]2CCCN2Cc2cccc([O-])c2Cl)on1 ZINC000334240324 1122972366 /nfs/dbraw/zinc/97/23/66/1122972366.db2.gz LWHFIAQWDSXSQW-GFCCVEGCSA-N -1 1 292.766 3.679 20 0 CHADMM Cc1ccc(NC(=S)Nc2c(F)cc([O-])cc2F)cc1 ZINC001197933023 1122974302 /nfs/dbraw/zinc/97/43/02/1122974302.db2.gz KVGOIGDIBXJTCJ-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cccc(NC(=S)Nc2ccc(F)cc2[O-])c1 ZINC001198682228 1123006739 /nfs/dbraw/zinc/00/67/39/1123006739.db2.gz KXGNWJUMFSJGLC-UHFFFAOYSA-N -1 1 276.336 3.649 20 0 CHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1C ZINC000188235968 1123054971 /nfs/dbraw/zinc/05/49/71/1123054971.db2.gz ZTAMJBKIXSKXMC-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM CCc1ccccc1NC(=S)Nc1cccc(F)c1[O-] ZINC001201146750 1123075150 /nfs/dbraw/zinc/07/51/50/1123075150.db2.gz NMTLIXPLPOIHPC-UHFFFAOYSA-N -1 1 290.363 3.903 20 0 CHADMM CCc1c(Cl)cc(Nc2ccc(N)nc2)c([O-])c1Cl ZINC001201293222 1123084148 /nfs/dbraw/zinc/08/41/48/1123084148.db2.gz YERGLDMXJQTHIT-UHFFFAOYSA-N -1 1 298.173 3.982 20 0 CHADMM O=C(NC1CCCCCCC1)c1c([O-])cccc1Cl ZINC000049084908 1123088654 /nfs/dbraw/zinc/08/86/54/1123088654.db2.gz IKJYHFGYQGUQPK-UHFFFAOYSA-N -1 1 281.783 3.888 20 0 CHADMM Cc1c(Cl)cc(Nc2cncc(O)c2)c([O-])c1Cl ZINC001201642644 1123135173 /nfs/dbraw/zinc/13/51/73/1123135173.db2.gz XXVWCYINEQEOPY-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM O=c1[nH]c2ccccc2cc1Nc1c([O-])cc(F)cc1F ZINC001201757893 1123146818 /nfs/dbraw/zinc/14/68/18/1123146818.db2.gz VJHBQZXIMJZSOX-UHFFFAOYSA-N -1 1 288.253 3.668 20 0 CHADMM O=C(Nc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001201955180 1123162579 /nfs/dbraw/zinc/16/25/79/1123162579.db2.gz TWDKLUACNIPJJH-UHFFFAOYSA-N -1 1 262.696 3.690 20 0 CHADMM O=C(Nc1ccc(F)cc1F)Nc1cccc([O-])c1Cl ZINC001202023298 1123166412 /nfs/dbraw/zinc/16/64/12/1123166412.db2.gz UKODWEYMIFYPDS-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM COc1ccccc1NC(=O)Nc1ccc(Cl)cc1[O-] ZINC001202127399 1123177395 /nfs/dbraw/zinc/17/73/95/1123177395.db2.gz ONWVITUJNMVBES-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM Cc1ccccc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001202187945 1123180305 /nfs/dbraw/zinc/18/03/05/1123180305.db2.gz WNLPWDLUEYICSI-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001202209321 1123187739 /nfs/dbraw/zinc/18/77/39/1123187739.db2.gz JQGJJSLUXUVDAE-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001202206878 1123187947 /nfs/dbraw/zinc/18/79/47/1123187947.db2.gz YTVWYLQVVZZIKO-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc([O-])c(F)cc1F ZINC001202376411 1123204282 /nfs/dbraw/zinc/20/42/82/1123204282.db2.gz RSEHJJVKUHKNER-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCOc1cc(-c2nc(C(C)(C)C)no2)cc(Cl)c1[O-] ZINC000443104622 1123356704 /nfs/dbraw/zinc/35/67/04/1123356704.db2.gz FDABIXWKRVZEHU-UHFFFAOYSA-N -1 1 296.754 3.792 20 0 CHADMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccs1 ZINC000335342031 1123361265 /nfs/dbraw/zinc/36/12/65/1123361265.db2.gz LZHNAYRNZGZODF-UHFFFAOYSA-N -1 1 287.793 3.511 20 0 CHADMM CCc1c(C(C)C)[n-]n(Cc2cccc3cccnc32)c1=O ZINC000634592436 1129119068 /nfs/dbraw/zinc/11/90/68/1129119068.db2.gz JLGONNURWYTNFH-OAHLLOKOSA-N -1 1 295.386 3.615 20 0 CHADMM CCc1c(C(C)C)[n-]n(-c2cccc3ncccc32)c1=O ZINC000634591238 1129119092 /nfs/dbraw/zinc/11/90/92/1129119092.db2.gz WSZCFFMSLJKYQL-GFCCVEGCSA-N -1 1 281.359 3.620 20 0 CHADMM Cc1nc(SCC2(C)CCC2)[n-]c(=O)c1C1CC1 ZINC000631023380 1123399951 /nfs/dbraw/zinc/39/99/51/1123399951.db2.gz PBEVNNWVPYUCOI-UHFFFAOYSA-N -1 1 264.394 3.650 20 0 CHADMM COC(=O)c1c[n-]c(SCc2cccc(C(C)C)c2)n1 ZINC000853019960 1123420148 /nfs/dbraw/zinc/42/01/48/1123420148.db2.gz PJDYLLIQEXGZEJ-UHFFFAOYSA-N -1 1 290.388 3.612 20 0 CHADMM O=C([N-]c1cc(Cl)cc(F)c1F)c1cc(C2CC2)no1 ZINC000335775351 1123425927 /nfs/dbraw/zinc/42/59/27/1123425927.db2.gz QRSVGXNGXZBCGF-UHFFFAOYSA-N -1 1 298.676 3.736 20 0 CHADMM CCCc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1CC ZINC000634618151 1129121686 /nfs/dbraw/zinc/12/16/86/1129121686.db2.gz IKXLZEDQPJXNGD-HNNXBMFYSA-N -1 1 295.386 3.759 20 0 CHADMM CC(C)C[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677055 1123482292 /nfs/dbraw/zinc/48/22/92/1123482292.db2.gz ZJOFSYUTSPNBSW-MRVPVSSYSA-N -1 1 273.735 3.805 20 0 CHADMM CC(C)CCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678718 1123484378 /nfs/dbraw/zinc/48/43/78/1123484378.db2.gz UVPDEKKUCYDEED-UHFFFAOYSA-N -1 1 273.735 3.950 20 0 CHADMM CC[C@@]1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000399301090 1123556511 /nfs/dbraw/zinc/55/65/11/1123556511.db2.gz FWMBVXPIAYQRGW-SFHVURJKSA-N -1 1 283.371 3.808 20 0 CHADMM CC[C@](C)([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000080939644 1129130209 /nfs/dbraw/zinc/13/02/09/1129130209.db2.gz PJQRTRIXYBLQKS-NSHDSACASA-N -1 1 295.251 3.626 20 0 CHADMM O=C(NCCCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000097989213 1123577629 /nfs/dbraw/zinc/57/76/29/1123577629.db2.gz DRXOPLUQVHYTQX-UHFFFAOYSA-N -1 1 297.276 3.618 20 0 CHADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896780383 1123623481 /nfs/dbraw/zinc/62/34/81/1123623481.db2.gz CRHZWALXJBCYFO-AAEUAGOBSA-N -1 1 299.370 3.512 20 0 CHADMM CSc1ccc([O-])c(-c2nc(C3(SC)CC3)no2)c1 ZINC000896776123 1123626341 /nfs/dbraw/zinc/62/63/41/1123626341.db2.gz SEWHFYUCFQPHKA-UHFFFAOYSA-N -1 1 294.401 3.516 20 0 CHADMM [O-]c1ccc(-c2nc(-c3coc4ccccc34)no2)c(F)c1 ZINC000389296219 1123635453 /nfs/dbraw/zinc/63/54/53/1123635453.db2.gz YQABHUSORHVIHE-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM CC(C)(c1noc(-c2ccc([O-])cc2F)n1)c1ccccc1 ZINC000389385038 1123641893 /nfs/dbraw/zinc/64/18/93/1123641893.db2.gz IJABFNJEVVRVJR-UHFFFAOYSA-N -1 1 298.317 3.907 20 0 CHADMM CC(C)CC1(CNc2cc(Cl)[n-]c(=O)n2)CCCC1 ZINC000858441201 1123654704 /nfs/dbraw/zinc/65/47/04/1123654704.db2.gz FDVAJYVVSYLSMF-UHFFFAOYSA-N -1 1 283.803 3.854 20 0 CHADMM CC(C)[C@H]1N(c2cc(Cl)[n-]c(=O)n2)CC12CCCCC2 ZINC000858568356 1123662845 /nfs/dbraw/zinc/66/28/45/1123662845.db2.gz LNQQCUPRLZMXBR-CYBMUJFWSA-N -1 1 295.814 3.631 20 0 CHADMM O=c1nc(N[C@@H](C2CCC2)C2CCCC2)cc(Cl)[n-]1 ZINC000858597204 1123666546 /nfs/dbraw/zinc/66/65/46/1123666546.db2.gz WNWCLCSGEFPCDA-CYBMUJFWSA-N -1 1 281.787 3.606 20 0 CHADMM O=c1nc(N[C@H](C2CCC2)C2CCCCC2)cc(Cl)[n-]1 ZINC000858600917 1123666762 /nfs/dbraw/zinc/66/67/62/1123666762.db2.gz VLKXTZIDCJBNJL-AWEZNQCLSA-N -1 1 295.814 3.997 20 0 CHADMM O=c1nc(N2CCC[C@@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858634482 1123668280 /nfs/dbraw/zinc/66/82/80/1123668280.db2.gz FSJFEHAPPVGJAW-GFCCVEGCSA-N -1 1 295.814 3.632 20 0 CHADMM CC[C@H](CCc1ccccc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858694662 1123669489 /nfs/dbraw/zinc/66/94/89/1123669489.db2.gz AZHHIWAOUMUECE-GFCCVEGCSA-N -1 1 291.782 3.659 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001202507529 1123831251 /nfs/dbraw/zinc/83/12/51/1123831251.db2.gz VUJXDRZACXFZHN-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM CC(F)(F)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000444431690 1124015371 /nfs/dbraw/zinc/01/53/71/1124015371.db2.gz DLBINPYZVJDLSU-UHFFFAOYSA-N -1 1 295.260 3.895 20 0 CHADMM CCc1ccsc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482275 1124086438 /nfs/dbraw/zinc/08/64/38/1124086438.db2.gz SANRPVVSNXQLSZ-UHFFFAOYSA-N -1 1 290.319 3.872 20 0 CHADMM C[C@H](c1cccs1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445463693 1124086599 /nfs/dbraw/zinc/08/65/99/1124086599.db2.gz PULRTUTVFXJDIE-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM O=c1cc(CC2CCCCC2)[n-]n1-c1ccccc1 ZINC001245940479 1131254886 /nfs/dbraw/zinc/25/48/86/1131254886.db2.gz YTPYSHLEULRHSW-UHFFFAOYSA-N -1 1 256.349 3.701 20 0 CHADMM C[C@@H]1CCc2[n-]n(-c3cccc4ccccc43)c(=O)c21 ZINC000871946759 1124654913 /nfs/dbraw/zinc/65/49/13/1124654913.db2.gz IBCRXQDWGYRZLM-BDJLRTHQSA-N -1 1 264.328 3.589 20 0 CHADMM CCCCN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876393200 1124944903 /nfs/dbraw/zinc/94/49/03/1124944903.db2.gz IJBDFBJPEQQTAR-UHFFFAOYSA-N -1 1 296.798 3.520 20 0 CHADMM CCN(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CC1 ZINC000127378844 1125183647 /nfs/dbraw/zinc/18/36/47/1125183647.db2.gz ATNIGBGRAQQOTG-UHFFFAOYSA-N -1 1 294.468 3.505 20 0 CHADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)cc(C)c1O ZINC001211908661 1125206055 /nfs/dbraw/zinc/20/60/55/1125206055.db2.gz HIEIZNQKPPZVKR-UHFFFAOYSA-N -1 1 297.310 3.565 20 0 CHADMM Cc1cc(Nc2c([O-])cc(F)cc2F)cc(C)c1O ZINC001211910834 1125296199 /nfs/dbraw/zinc/29/61/99/1125296199.db2.gz BFAODBZTXCTECT-UHFFFAOYSA-N -1 1 265.259 3.736 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3cnccc3c2)c(F)c1 ZINC001241122408 1129460896 /nfs/dbraw/zinc/46/08/96/1129460896.db2.gz NXBYOBSODQTJKT-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM CC1=C(C)C[C@H](C(=O)Nc2c([O-])cccc2F)CC1 ZINC000648841345 1129628035 /nfs/dbraw/zinc/62/80/35/1129628035.db2.gz SIAVCBRENFRSBW-LLVKDONJSA-N -1 1 263.312 3.606 20 0 CHADMM Nc1c2ccnc-2n(-c2ccc(Cl)c([O-])c2)cc1Cl ZINC001212588570 1129717691 /nfs/dbraw/zinc/71/76/91/1129717691.db2.gz UTGCGFZRNZEWKC-UHFFFAOYSA-N -1 1 294.141 3.572 20 0 CHADMM Nc1ccc2nn(-c3ccc(Cl)c([O-])c3)c(Cl)c2c1 ZINC001212591648 1129737416 /nfs/dbraw/zinc/73/74/16/1129737416.db2.gz XBLOLOPDFVSEMY-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM Cc1ccc(F)c(CC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001137674453 1131397425 /nfs/dbraw/zinc/39/74/25/1131397425.db2.gz URMMZVPNVAPTPU-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM Cc1cc2cc(-c3cccc(Cl)c3[O-])cnc2[nH]1 ZINC001242365166 1129796972 /nfs/dbraw/zinc/79/69/72/1129796972.db2.gz YWPKBMYTCCUGTI-UHFFFAOYSA-N -1 1 258.708 3.897 20 0 CHADMM COCc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000769522780 1129915570 /nfs/dbraw/zinc/91/55/70/1129915570.db2.gz KOPANKAEBUWREO-UHFFFAOYSA-N -1 1 299.370 3.914 20 0 CHADMM C[C@H](c1cccs1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769708873 1129921376 /nfs/dbraw/zinc/92/13/76/1129921376.db2.gz FVZGRWOOCVSSRC-SECBINFHSA-N -1 1 295.791 3.940 20 0 CHADMM CC(C)(C)[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769767535 1129922646 /nfs/dbraw/zinc/92/26/46/1129922646.db2.gz PBKAHEVFSZVYNH-GFCCVEGCSA-N -1 1 281.783 3.696 20 0 CHADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)s1 ZINC000901426534 1129924437 /nfs/dbraw/zinc/92/44/37/1129924437.db2.gz KAQGSIMTOCFWES-UHFFFAOYSA-N -1 1 289.400 3.630 20 0 CHADMM O=c1cc(-c2ccccc2)nc(SCCCCF)[n-]1 ZINC000901617306 1129939244 /nfs/dbraw/zinc/93/92/44/1129939244.db2.gz VNYDYUBPENQTAN-UHFFFAOYSA-N -1 1 278.352 3.691 20 0 CHADMM Cc1cc(C)c(CNCc2ccc(/C=C/C(=O)[O-])o2)c(C)c1 ZINC000902110885 1129981286 /nfs/dbraw/zinc/98/12/86/1129981286.db2.gz YGLHGVNNBSECGB-VOTSOKGWSA-N -1 1 299.370 3.592 20 0 CHADMM CC[C@](C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000902236717 1129992672 /nfs/dbraw/zinc/99/26/72/1129992672.db2.gz WFTZTYCFZMUKDZ-JYBLJSLWSA-N -1 1 299.370 3.792 20 0 CHADMM CCOc1cc(-c2cccc([O-])c2Cl)nc(SC)n1 ZINC001242797790 1130049094 /nfs/dbraw/zinc/04/90/94/1130049094.db2.gz MIDUJQHDGROPNE-UHFFFAOYSA-N -1 1 296.779 3.623 20 0 CHADMM [O-]c1cccc(-c2cncc(-c3ncco3)c2)c1Cl ZINC001242803641 1130060271 /nfs/dbraw/zinc/06/02/71/1130060271.db2.gz VZSXOITXWZKRNL-UHFFFAOYSA-N -1 1 272.691 3.763 20 0 CHADMM [O-]c1c(Cl)cc(-c2cc3[nH]nnc3cc2F)cc1Cl ZINC001242852889 1130092713 /nfs/dbraw/zinc/09/27/13/1130092713.db2.gz AFTZYYHCZCMAPW-UHFFFAOYSA-N -1 1 298.104 3.776 20 0 CHADMM O=C(OCCCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000803341998 1130143289 /nfs/dbraw/zinc/14/32/89/1130143289.db2.gz ZXXQZHLRXSQHGJ-UHFFFAOYSA-N -1 1 281.110 3.606 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ZINC000037022439 523940539 /nfs/dbraw/zinc/94/05/39/523940539.db2.gz BESYJJBQAFYYES-UHFFFAOYSA-N -1 1 269.344 3.560 20 0 CHADMM O=C(C[C@H]1C=CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000189049911 527159538 /nfs/dbraw/zinc/15/95/38/527159538.db2.gz MFXSDKKAKPTRGW-JTQLQIEISA-N -1 1 265.740 3.731 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1csc2c1CCCC2 ZINC000340330212 527213751 /nfs/dbraw/zinc/21/37/51/527213751.db2.gz JBTIBQONBNJNTJ-UHFFFAOYSA-N -1 1 291.347 3.724 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccc(F)c1F ZINC000820147769 598194367 /nfs/dbraw/zinc/19/43/67/598194367.db2.gz DQWJOZWGNLBHSR-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM Cc1cc(CN2CCCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000738381662 600217830 /nfs/dbraw/zinc/21/78/30/600217830.db2.gz AOSXEHBXFWKLMR-CYBMUJFWSA-N -1 1 289.331 3.606 20 0 CHADMM CCc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000737259881 600411366 /nfs/dbraw/zinc/41/13/66/600411366.db2.gz ZWVNQMICDIZBMK-NVXWUHKLSA-N -1 1 299.370 3.805 20 0 CHADMM CCc1ccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000737259881 600411368 /nfs/dbraw/zinc/41/13/68/600411368.db2.gz ZWVNQMICDIZBMK-NVXWUHKLSA-N -1 1 299.370 3.805 20 0 CHADMM C[C@@H]1c2c(F)cccc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736834627 600440452 /nfs/dbraw/zinc/44/04/52/600440452.db2.gz BJZYNRGZXVRLMU-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1ccc(CN(Cc2cc(C(=O)[O-])co2)C2CC2)cc1C ZINC000738594889 600718920 /nfs/dbraw/zinc/71/89/20/600718920.db2.gz XFSXSCPBMBSVGC-UHFFFAOYSA-N -1 1 299.370 3.759 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000830362490 601423104 /nfs/dbraw/zinc/42/31/04/601423104.db2.gz ALVPVLUREARNMP-SJKOYZFVSA-N -1 1 299.370 3.733 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H]1c1ccccc1 ZINC000833032650 601641977 /nfs/dbraw/zinc/64/19/77/601641977.db2.gz KGPPBSZRYNVZCC-CQSZACIVSA-N -1 1 287.384 3.702 20 0 CHADMM C/C(=C/CN1CCCC[C@@H]1c1ccc(F)cc1F)C(=O)[O-] ZINC000825740776 604452770 /nfs/dbraw/zinc/45/27/70/604452770.db2.gz AYMMDZDHEABZTK-OCOPJHETSA-N -1 1 295.329 3.523 20 0 CHADMM CCc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000833669251 604526404 /nfs/dbraw/zinc/52/64/04/604526404.db2.gz COLROKHSELPXNK-UHFFFAOYSA-N -1 1 293.388 3.542 20 0 CHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000833630664 604762126 /nfs/dbraw/zinc/76/21/26/604762126.db2.gz WIJITLQWUMJSBE-PXAZEXFGSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000833630666 604762255 /nfs/dbraw/zinc/76/22/55/604762255.db2.gz WIJITLQWUMJSBE-SJCJKPOMSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000087846508 605136068 /nfs/dbraw/zinc/13/60/68/605136068.db2.gz UTUNYDQKXACGMJ-SNVBAGLBSA-N -1 1 291.297 3.514 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000706240130 605139337 /nfs/dbraw/zinc/13/93/37/605139337.db2.gz NDMKPIMTRJUHFA-MRVPVSSYSA-N -1 1 297.326 3.575 20 0 CHADMM Cc1ccnc(NCc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000665341289 954543187 /nfs/dbraw/zinc/54/31/87/954543187.db2.gz ZVAVUQRLCZGISS-UHFFFAOYSA-N -1 1 282.343 3.578 20 0 CHADMM Cc1ccnc(NCc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000665341257 954543801 /nfs/dbraw/zinc/54/38/01/954543801.db2.gz YWPUTEOABBCBQL-UHFFFAOYSA-N -1 1 282.343 3.578 20 0 CHADMM Cc1oc(CN[C@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000235185987 960394542 /nfs/dbraw/zinc/39/45/42/960394542.db2.gz GUTMSXUJKZPPME-SECBINFHSA-N -1 1 293.750 3.790 20 0 CHADMM C[C@H](c1cccc(Cl)c1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001573736211 960438427 /nfs/dbraw/zinc/43/84/27/960438427.db2.gz RSRIJZDTDQJJBQ-FOGDFJRCSA-N -1 1 299.773 3.583 20 0 CHADMM CCCCC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001136774258 1131440760 /nfs/dbraw/zinc/44/07/60/1131440760.db2.gz WDRANEYZZDAIEF-ZDUSSCGKSA-N -1 1 278.396 3.512 20 0 CHADMM CCCc1cc(=O)[n-]c(SCc2sc(C)nc2C)n1 ZINC000607757204 1117863727 /nfs/dbraw/zinc/86/37/27/1117863727.db2.gz FCFLYKFLISDSOM-UHFFFAOYSA-N -1 1 295.433 3.500 20 0 CHADMM CC[C@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000565101643 974568148 /nfs/dbraw/zinc/56/81/48/974568148.db2.gz ROWCFLYIZXNTLS-LBPRGKRZSA-N -1 1 291.372 3.549 20 0 CHADMM Cc1cc([C@@H](C)N(C)Cc2cccs2)oc1C(=O)[O-] ZINC000578448352 974854982 /nfs/dbraw/zinc/85/49/82/974854982.db2.gz RYJKNRCZGOOIIV-SNVBAGLBSA-N -1 1 279.361 3.541 20 0 CHADMM Cc1cc(Cl)cc(C)c1CNCc1ccc(C(=O)[O-])o1 ZINC000756286020 978697331 /nfs/dbraw/zinc/69/73/31/978697331.db2.gz TXHGZQIMNANVTN-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM CCc1oc(CN[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000902068366 980718845 /nfs/dbraw/zinc/71/88/45/980718845.db2.gz AIQKEEJPBQHGFJ-GFCCVEGCSA-N -1 1 287.359 3.699 20 0 CHADMM Cc1cc(CN[C@@H](c2ccccc2)C2CC2)oc1C(=O)[O-] ZINC000902129025 980748266 /nfs/dbraw/zinc/74/82/66/980748266.db2.gz DBMFZMHRZNVLBS-HNNXBMFYSA-N -1 1 285.343 3.527 20 0 CHADMM Cc1cc(C)cc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902233936 980794002 /nfs/dbraw/zinc/79/40/02/980794002.db2.gz FUQWMYPKNMPQDV-PSKZRQQASA-N -1 1 299.370 3.845 20 0 CHADMM CSc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])co1 ZINC000902380735 980863597 /nfs/dbraw/zinc/86/35/97/980863597.db2.gz KEHYVHZLBDMDTG-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM Cc1oc(CNC2(c3cccc(C)c3)CCC2)cc1C(=O)[O-] ZINC000902446189 980891509 /nfs/dbraw/zinc/89/15/09/980891509.db2.gz XDBKYOVPWKXPEO-UHFFFAOYSA-N -1 1 299.370 3.764 20 0 CHADMM CCC[C@](C)(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000905790267 981151596 /nfs/dbraw/zinc/15/15/96/981151596.db2.gz PUKXSVJLKNFDJJ-KRWDZBQOSA-N -1 1 287.359 3.783 20 0 CHADMM CCC[C@@]1(C)CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617572 981654836 /nfs/dbraw/zinc/65/48/36/981654836.db2.gz QZUQKKJTSXZWOX-ABAIWWIYSA-N -1 1 296.436 3.805 20 0 CHADMM CC[C@H](C)[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876194 1119084859 /nfs/dbraw/zinc/08/48/59/1119084859.db2.gz QBTJVJWVHKVHBX-IUCAKERBSA-N -1 1 289.297 3.575 20 0 CHADMM C/C(=C\C(=O)[O-])CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC001588952759 984688794 /nfs/dbraw/zinc/68/87/94/984688794.db2.gz SSWJMWLGXUPVBW-CSKARUKUSA-N 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AAMNWQNOVAAAKA-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM O=C(Nc1ccc(Cl)nc1)c1ccc2ccccc2c1[O-] ZINC000221691271 1125739285 /nfs/dbraw/zinc/73/92/85/1125739285.db2.gz RTBAKTIURBPABL-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM Cc1csc2nc(-c3ccc([O-])c(F)c3)ncc12 ZINC001240781761 1129350953 /nfs/dbraw/zinc/35/09/53/1129350953.db2.gz IFBJLSPXIBRBPL-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000789862718 1130279743 /nfs/dbraw/zinc/27/97/43/1130279743.db2.gz LWTMICTXAVGQFD-MXWKQRLJSA-N -1 1 281.783 3.552 20 0 CHADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000162145188 1126766000 /nfs/dbraw/zinc/76/60/00/1126766000.db2.gz ZKADVXAOEKLLMI-VXGBXAGGSA-N -1 1 269.344 3.558 20 0 CHADMM CC[C@H](C)N(CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000036819331 1126814833 /nfs/dbraw/zinc/81/48/33/1126814833.db2.gz ZKEBRTRWQGXMAQ-LBPRGKRZSA-N -1 1 271.360 3.806 20 0 CHADMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)ccn1C(C)C ZINC000909987071 1127042580 /nfs/dbraw/zinc/04/25/80/1127042580.db2.gz GMTANYRLUIDRRX-UHFFFAOYSA-N -1 1 294.301 3.614 20 0 CHADMM CC(C)CC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909983520 1127043018 /nfs/dbraw/zinc/04/30/18/1127043018.db2.gz XWGIBRBEYWVZJS-UHFFFAOYSA-N -1 1 271.307 3.681 20 0 CHADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988139 1127044186 /nfs/dbraw/zinc/04/41/86/1127044186.db2.gz XDXZQEJUVYJECX-LURJTMIESA-N -1 1 297.223 3.588 20 0 CHADMM CC1=CC[C@@](C)(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909988608 1127044210 /nfs/dbraw/zinc/04/42/10/1127044210.db2.gz RZFCEUGHKPFJFH-OAHLLOKOSA-N -1 1 281.302 3.745 20 0 CHADMM O=C(CC1CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909974064 1127041899 /nfs/dbraw/zinc/04/18/99/1127041899.db2.gz DVYPMXQCFLMZEP-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001299372874 1127169004 /nfs/dbraw/zinc/16/90/04/1127169004.db2.gz GTLBEZTYFIPZHC-GXTWGEPZSA-N -1 1 293.382 3.868 20 0 CHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000165665670 1127241049 /nfs/dbraw/zinc/24/10/49/1127241049.db2.gz WLNPDVCMKZWCOC-CYBMUJFWSA-N -1 1 299.773 3.698 20 0 CHADMM [O-]c1ccc(F)c(-c2c(F)ccnc2F)c1Cl ZINC001245832178 1131202310 /nfs/dbraw/zinc/20/23/10/1131202310.db2.gz NJWNZBPSDTXPRR-UHFFFAOYSA-N -1 1 259.614 3.525 20 0 CHADMM CCc1nc(SCc2cc(C)ccc2C)[n-]c(=O)c1C ZINC000573700095 1127327806 /nfs/dbraw/zinc/32/78/06/1127327806.db2.gz WPZXQCOYPGCPRB-UHFFFAOYSA-N -1 1 288.416 3.962 20 0 CHADMM CC(C)(C)[C@@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355333232 1127334072 /nfs/dbraw/zinc/33/40/72/1127334072.db2.gz KMTBBSBQHVEJSR-OAHLLOKOSA-N -1 1 296.370 3.577 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCC(F)(F)C3)n2)c(F)c1 ZINC000289054904 1127371762 /nfs/dbraw/zinc/37/17/62/1127371762.db2.gz LDJOQTNURMJXSM-MRVPVSSYSA-N -1 1 298.264 3.874 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC000359273007 1127455796 /nfs/dbraw/zinc/45/57/96/1127455796.db2.gz ZKMUFZFNJKTCIL-UKRRQHHQSA-N -1 1 290.407 3.608 20 0 CHADMM CC(C)(C)[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228161396 1127534930 /nfs/dbraw/zinc/53/49/30/1127534930.db2.gz LBMKNBIEYXZVBH-HNNXBMFYSA-N -1 1 287.359 3.855 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1ccncc1F ZINC000362184730 1127618320 /nfs/dbraw/zinc/61/83/20/1127618320.db2.gz UGGYPEBBWAUURC-UHFFFAOYSA-N -1 1 294.326 3.724 20 0 CHADMM O=C(Cc1ccc2ccccc2c1)Nc1c([O-])cccc1F ZINC000605435805 1127736128 /nfs/dbraw/zinc/73/61/28/1127736128.db2.gz IOJSQAIOCQNDQW-UHFFFAOYSA-N -1 1 295.313 3.866 20 0 CHADMM CCc1sc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000605440338 1127736979 /nfs/dbraw/zinc/73/69/79/1127736979.db2.gz OUZNKWBLXVLOFS-UHFFFAOYSA-N -1 1 279.336 3.716 20 0 CHADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2c([O-])cccc2F)C1(C)C ZINC000608366259 1127862657 /nfs/dbraw/zinc/86/26/57/1127862657.db2.gz HEUHJLWPNCLBNQ-GXFFZTMASA-N -1 1 277.339 3.708 20 0 CHADMM C[C@@H]1CCC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000608366257 1127862770 /nfs/dbraw/zinc/86/27/70/1127862770.db2.gz QTMGYLWZZIQANM-GHMZBOCLSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1c([O-])cccc1F ZINC000608366101 1127862778 /nfs/dbraw/zinc/86/27/78/1127862778.db2.gz NKPQNYHQMGNION-GHMZBOCLSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1nc(C(C)C)sc1C(=O)Nc1c([O-])cccc1F ZINC000608367477 1127862867 /nfs/dbraw/zinc/86/28/67/1127862867.db2.gz RMIKBTURYDIAGH-UHFFFAOYSA-N -1 1 294.351 3.672 20 0 CHADMM CN(Cc1cccc(F)c1F)Cc1ccc(F)c([O-])c1F ZINC001232939226 1127903474 /nfs/dbraw/zinc/90/34/74/1127903474.db2.gz HVHYCKVNOISKQC-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(F)cc1[O-] ZINC000541721854 1128035055 /nfs/dbraw/zinc/03/50/55/1128035055.db2.gz LRRILJMHSZSQDN-JTQLQIEISA-N -1 1 267.344 3.932 20 0 CHADMM O=C(CC1CCC(F)(F)CC1)Nc1ccc(F)cc1[O-] ZINC000626277868 1128161317 /nfs/dbraw/zinc/16/13/17/1128161317.db2.gz UGGAGMCNAUITKF-UHFFFAOYSA-N -1 1 287.281 3.685 20 0 CHADMM CCc1ccc(N(CC)C(=O)c2ccc(OC)cc2[O-])cc1 ZINC000914516885 1128203217 /nfs/dbraw/zinc/20/32/17/1128203217.db2.gz RLKGWGUVIGARMF-UHFFFAOYSA-N -1 1 299.370 3.630 20 0 CHADMM O=C(N[C@@H]1CCCCC12CCCC2)c1c([O-])cccc1F ZINC000387297600 1128382415 /nfs/dbraw/zinc/38/24/15/1128382415.db2.gz PDYIJJKRDOMXEL-CQSZACIVSA-N -1 1 291.366 3.764 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2c([O-])cccc2F)C[C@@H]1C ZINC000648940664 1128387550 /nfs/dbraw/zinc/38/75/50/1128387550.db2.gz YHXPDSXSBSWAEO-OUAUKWLOSA-N -1 1 265.328 3.542 20 0 CHADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940625 1128387620 /nfs/dbraw/zinc/38/76/20/1128387620.db2.gz SWXNSBRUDBYHLL-GHMZBOCLSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1ccc(-c2cc(C(=O)Oc3ccccc3C)[nH]n2)o1 ZINC000916852747 1128459073 /nfs/dbraw/zinc/45/90/73/1128459073.db2.gz ZIMSYSBVRKGGSR-UHFFFAOYSA-N -1 1 282.299 3.506 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CCCC2)C1 ZINC000174849643 1128513166 /nfs/dbraw/zinc/51/31/66/1128513166.db2.gz NHDGBFKEZBPVCE-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM O=C([N-][C@H](CC1CCC1)c1ccccc1)C(F)(F)F ZINC000778465032 1128520002 /nfs/dbraw/zinc/52/00/02/1128520002.db2.gz XJEMMIXXRJKYKG-GFCCVEGCSA-N -1 1 271.282 3.596 20 0 CHADMM Cc1cnc(S[C@@H]2CCCc3ccc(F)cc32)[n-]c1=O ZINC000568416038 1128584164 /nfs/dbraw/zinc/58/41/64/1128584164.db2.gz LIRKAOHXAAXBNA-CYBMUJFWSA-N -1 1 290.363 3.799 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000920463163 1128682878 /nfs/dbraw/zinc/68/28/78/1128682878.db2.gz AAZFLVKTKWXJPX-GHMZBOCLSA-N -1 1 281.783 3.602 20 0 CHADMM O=C(NCc1ccc(C2CCC2)cc1)c1ccc([O-])c(F)c1 ZINC000683182301 1117842064 /nfs/dbraw/zinc/84/20/64/1117842064.db2.gz CHSGFYUTXHMZDW-UHFFFAOYSA-N -1 1 299.345 3.729 20 0 CHADMM O=c1nc(-c2ccco2)[n-]c2scc(-c3ccccc3)c21 ZINC000047681843 1118051061 /nfs/dbraw/zinc/05/10/61/1118051061.db2.gz ZLJFBMMRXXBYPL-UHFFFAOYSA-N -1 1 294.335 3.912 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(SC)cc2)n1 ZINC000683454690 1118165587 /nfs/dbraw/zinc/16/55/87/1118165587.db2.gz RYBRJNZENYWXGO-UHFFFAOYSA-N -1 1 292.429 3.759 20 0 CHADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)ccc1F ZINC000065343552 1118245587 /nfs/dbraw/zinc/24/55/87/1118245587.db2.gz RERMBBWJMMERHA-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM C[C@H](CC(=O)Nc1cccc(F)c1[O-])c1cccc(F)c1 ZINC001648846572 1118252424 /nfs/dbraw/zinc/25/24/24/1118252424.db2.gz CGRFZFZPGXKODY-SNVBAGLBSA-N -1 1 291.297 3.803 20 0 CHADMM Cc1ccc(F)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192837 1118334876 /nfs/dbraw/zinc/33/48/76/1118334876.db2.gz KVCDJNLJLFTYEZ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(C)c1C ZINC001211340071 1118505557 /nfs/dbraw/zinc/50/55/57/1118505557.db2.gz SIBKCFLTRYELBX-UHFFFAOYSA-N -1 1 264.271 3.963 20 0 CHADMM COC(OC)c1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001211351749 1118507291 /nfs/dbraw/zinc/50/72/91/1118507291.db2.gz BSCHNGRBIHIQPC-UHFFFAOYSA-N -1 1 298.260 3.768 20 0 CHADMM Cc1noc2ccc(-c3cc(F)c([O-])cc3F)cc12 ZINC001211353445 1118507466 /nfs/dbraw/zinc/50/74/66/1118507466.db2.gz WKLKSZRPXZSZKP-UHFFFAOYSA-N -1 1 261.227 3.787 20 0 CHADMM CC/C=C(/C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000588396272 1118528341 /nfs/dbraw/zinc/52/83/41/1118528341.db2.gz IAUCVNXOLQEETH-UITAMQMPSA-N -1 1 298.180 3.758 20 0 CHADMM COc1cccc(Nc2ccc(F)c(F)c2[O-])c1C ZINC001215801229 1118591811 /nfs/dbraw/zinc/59/18/11/1118591811.db2.gz BZOMMYNTLJYFPD-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1coc2cc(F)ccc12 ZINC000684469636 1118741290 /nfs/dbraw/zinc/74/12/90/1118741290.db2.gz FOVSGWJOAALSLM-UHFFFAOYSA-N -1 1 289.237 3.669 20 0 CHADMM C[C@H](C#N)C[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000068870429 1128801940 /nfs/dbraw/zinc/80/19/40/1128801940.db2.gz RKMVWAVPJFHBLD-GFCCVEGCSA-N -1 1 298.386 3.609 20 0 CHADMM Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535891242 1118916906 /nfs/dbraw/zinc/91/69/06/1118916906.db2.gz HFGZWZQINATPOC-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000650591074 1118920616 /nfs/dbraw/zinc/92/06/16/1118920616.db2.gz ZITNKWIEWYDXDB-UHFFFAOYSA-N -1 1 264.300 3.659 20 0 CHADMM CCc1nc(SCCC=C(C)C)[n-]c(=O)c1C ZINC000657264264 1118944066 /nfs/dbraw/zinc/94/40/66/1118944066.db2.gz MWESLWBODDTWFM-UHFFFAOYSA-N -1 1 252.383 3.501 20 0 CHADMM CCO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000866868226 1118947627 /nfs/dbraw/zinc/94/76/27/1118947627.db2.gz HFLOLLRAYIUFGN-CQSZACIVSA-N -1 1 297.782 3.579 20 0 CHADMM Cc1ccccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000582186351 1119031038 /nfs/dbraw/zinc/03/10/38/1119031038.db2.gz XFMYRJAQKRIQDN-UHFFFAOYSA-N -1 1 282.315 3.721 20 0 CHADMM O=C(Nc1ccc(F)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868551 1119078260 /nfs/dbraw/zinc/07/82/60/1119078260.db2.gz FPWDBUMGCZUFPW-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000111667205 1119086597 /nfs/dbraw/zinc/08/65/97/1119086597.db2.gz DFUKOCBURYZMGT-VIFPVBQESA-N -1 1 293.725 3.927 20 0 CHADMM Clc1cccc([N-]c2nonc2C2CC2)c1Cl ZINC001216442545 1119099986 /nfs/dbraw/zinc/09/99/86/1119099986.db2.gz FBIZBGHZPLRFBQ-UHFFFAOYSA-N -1 1 270.119 3.997 20 0 CHADMM CCCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC1 ZINC000343010539 1119280327 /nfs/dbraw/zinc/28/03/27/1119280327.db2.gz VLIDSUQVADQERJ-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM C/C=C(/CC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000588575598 1119343423 /nfs/dbraw/zinc/34/34/23/1119343423.db2.gz LKKRPPIZLJIVHH-WTKPLQERSA-N -1 1 298.180 3.758 20 0 CHADMM CC1(C)CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000149997204 1119347682 /nfs/dbraw/zinc/34/76/82/1119347682.db2.gz NQNVJNFCUHOJOA-LLVKDONJSA-N -1 1 281.783 3.744 20 0 CHADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000583873021 1119427901 /nfs/dbraw/zinc/42/79/01/1119427901.db2.gz AJELZCHAPPWPTR-GTNSWQLSSA-N -1 1 299.374 3.547 20 0 CHADMM O=C(NCC1CCCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000168960797 1128845893 /nfs/dbraw/zinc/84/58/93/1128845893.db2.gz ODOSTQVSCNNEPW-UHFFFAOYSA-N -1 1 282.771 3.747 20 0 CHADMM Cc1ccnc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000027647329 1119492890 /nfs/dbraw/zinc/49/28/90/1119492890.db2.gz JTDQCJAXDJQGFU-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CCC(C)(CC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000685365512 1119599597 /nfs/dbraw/zinc/59/95/97/1119599597.db2.gz MDGWRVBUCVTXHC-UHFFFAOYSA-N -1 1 264.300 3.659 20 0 CHADMM COc1ccc(C)cc1NCc1cccc([O-])c1Cl ZINC000381403359 1119607534 /nfs/dbraw/zinc/60/75/34/1119607534.db2.gz OWQSZOLLHQJOJM-UHFFFAOYSA-N -1 1 277.751 3.975 20 0 CHADMM CCOc1cc(C(=O)NCC[C@@H](C)CC)cc(Cl)c1[O-] ZINC000617632648 1128857433 /nfs/dbraw/zinc/85/74/33/1128857433.db2.gz MWOKVVTVJIYHMO-JTQLQIEISA-N -1 1 299.798 3.610 20 0 CHADMM CSCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613503396 1119946843 /nfs/dbraw/zinc/94/68/43/1119946843.db2.gz UQVJSKKFVSOJBH-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1F ZINC000190818154 1128882879 /nfs/dbraw/zinc/88/28/79/1128882879.db2.gz ROPGFSWXBLDILR-UHFFFAOYSA-N -1 1 299.704 3.945 20 0 CHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000378814806 1120132865 /nfs/dbraw/zinc/13/28/65/1120132865.db2.gz BEILPHMAAPDYAA-STQMWFEESA-N -1 1 293.794 3.696 20 0 CHADMM Cc1c(=O)[n-]c(SC[C@H]2C[C@@H]2C)nc1-c1ccccc1 ZINC000629174908 1128900281 /nfs/dbraw/zinc/90/02/81/1128900281.db2.gz ZSMZSHNGOCLAJV-GXFFZTMASA-N -1 1 286.400 3.906 20 0 CHADMM CCN(c1cc(F)c([O-])c(Cl)c1)c1ccccc1N ZINC001214489165 1120307878 /nfs/dbraw/zinc/30/78/78/1120307878.db2.gz VWCUCGDJNZLWCD-UHFFFAOYSA-N -1 1 280.730 3.925 20 0 CHADMM Cc1c(CO)cccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489272 1120310420 /nfs/dbraw/zinc/31/04/20/1120310420.db2.gz AFELGQDSUDHBQK-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM C[C@H]([C@H](C)C(=O)[N-]Oc1ccc(F)cc1)C(C)(C)C ZINC001641058385 1128916311 /nfs/dbraw/zinc/91/63/11/1128916311.db2.gz AJBMLZJCEPSGPZ-WDEREUQCSA-N -1 1 267.344 3.554 20 0 CHADMM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(-c2ccccc2)o1 ZINC000417711760 1120476844 /nfs/dbraw/zinc/47/68/44/1120476844.db2.gz WDIVYBOPAAZOKL-MRXNPFEDSA-N -1 1 299.370 3.680 20 0 CHADMM COCc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000191391767 1128924414 /nfs/dbraw/zinc/92/44/14/1128924414.db2.gz IILKCIVWXKRKEE-UHFFFAOYSA-N -1 1 295.741 3.943 20 0 CHADMM CC(C)c1ccc2nc(-c3coc(C4CC4)n3)[n-]c(=O)c2c1 ZINC000630385097 1128955873 /nfs/dbraw/zinc/95/58/73/1128955873.db2.gz LHESORDIBZCCON-UHFFFAOYSA-N -1 1 295.342 3.991 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc2cc[nH]c2c1 ZINC001174747504 1121035426 /nfs/dbraw/zinc/03/54/26/1121035426.db2.gz GFJQBUFCJQXESC-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2cc[nH]c2c1 ZINC001174748552 1121035765 /nfs/dbraw/zinc/03/57/65/1121035765.db2.gz WQXXUMQSHXZACH-UHFFFAOYSA-N -1 1 292.294 3.724 20 0 CHADMM COCc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174922328 1121097769 /nfs/dbraw/zinc/09/77/69/1121097769.db2.gz XXCQADVMTDEXPD-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM O=c1ccoc2ccc(Nc3ccc(F)c(F)c3[O-])cc12 ZINC001174944229 1121106225 /nfs/dbraw/zinc/10/62/25/1121106225.db2.gz JLEPAXHEZUFHNZ-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM O=c1ccoc2ccc(Nc3cc(F)c([O-])c(F)c3)cc12 ZINC001174946216 1121107277 /nfs/dbraw/zinc/10/72/77/1121107277.db2.gz RBDCOWWWWKOFTF-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM COc1cccc(F)c1[N-]c1nc(C(C)(C)C)ns1 ZINC001174990297 1121119847 /nfs/dbraw/zinc/11/98/47/1121119847.db2.gz FXYDMDBBPPWOMH-UHFFFAOYSA-N -1 1 281.356 3.727 20 0 CHADMM O=c1nc(-c2cscn2)[n-]c2sc3ccccc3c21 ZINC000432505788 1121137822 /nfs/dbraw/zinc/13/78/22/1121137822.db2.gz KRAJUMHVEFRXRU-UHFFFAOYSA-N -1 1 285.353 3.674 20 0 CHADMM CCOc1ccc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001175081215 1121175665 /nfs/dbraw/zinc/17/56/65/1121175665.db2.gz MHBWCYIHFMTRRJ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM C[C@@H](CCCc1ccccc1)C(=O)[N-]Oc1ccccc1 ZINC000773462029 1121189721 /nfs/dbraw/zinc/18/97/21/1121189721.db2.gz QFVFRHQHTZIJTC-HNNXBMFYSA-N -1 1 283.371 3.756 20 0 CHADMM [O-]c1cc(Nc2cc(CO)ccc2F)c(F)cc1Cl ZINC001175130740 1121195042 /nfs/dbraw/zinc/19/50/42/1121195042.db2.gz IYMDUIGOAOCIAM-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1c(F)cc(Nc2c(F)cc(F)cc2F)cc1F ZINC001175145477 1121201712 /nfs/dbraw/zinc/20/17/12/1121201712.db2.gz ZTQJSJRJJDAVPG-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CCOc1ccc(OC)cc1Nc1c([O-])cc(F)cc1F ZINC001175212768 1121225890 /nfs/dbraw/zinc/22/58/90/1121225890.db2.gz JJDPXDXQLUIKOY-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM O=C1CCCc2cc(Nc3cc([O-])c(F)cc3F)ccc21 ZINC001213105102 1121228746 /nfs/dbraw/zinc/22/87/46/1121228746.db2.gz YKRCWXLDHOFYIG-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM CCOc1cccc(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001175236298 1121238443 /nfs/dbraw/zinc/23/84/43/1121238443.db2.gz FIZNRWSKMYIJLT-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1c(F)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001212536931 1121262178 /nfs/dbraw/zinc/26/21/78/1121262178.db2.gz MNIWVEWRIBUYDY-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COc1ccc(Nc2c(F)ccc([O-])c2F)c(C(C)=O)c1 ZINC001175270753 1121270622 /nfs/dbraw/zinc/27/06/22/1121270622.db2.gz ITVHIAICFMYPFX-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM CCOc1cc(Nc2ccnc(Cl)c2[O-])ccc1OC ZINC001212540660 1121270647 /nfs/dbraw/zinc/27/06/47/1121270647.db2.gz NMMRGIVHISSDDL-UHFFFAOYSA-N -1 1 294.738 3.592 20 0 CHADMM COc1ncc([N-]c2cc(C3CCCC3)no2)s1 ZINC001175387608 1121309465 /nfs/dbraw/zinc/30/94/65/1121309465.db2.gz ZGPOFBOIVJVASX-UHFFFAOYSA-N -1 1 265.338 3.541 20 0 CHADMM Cc1cccc2nc(-c3ccc(O)cc3Cl)[n-]c(=O)c12 ZINC000438875549 1121345461 /nfs/dbraw/zinc/34/54/61/1121345461.db2.gz QMDPWWAEEGTRSS-UHFFFAOYSA-N -1 1 286.718 3.670 20 0 CHADMM COc1cc(C)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001211732321 1121431477 /nfs/dbraw/zinc/43/14/77/1121431477.db2.gz ZQNIUBMPICJWRB-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2ccc(F)cn2)c1Cl ZINC001175851701 1121481794 /nfs/dbraw/zinc/48/17/94/1121481794.db2.gz SQSRQNVRYBJWQT-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)cc(C)c1N ZINC001175936849 1121488956 /nfs/dbraw/zinc/48/89/56/1121488956.db2.gz INKXLVFZZCJITR-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM Cc1ccc(-c2cc([N-]c3cscn3)on2)cc1 ZINC001175938311 1121489110 /nfs/dbraw/zinc/48/91/10/1121489110.db2.gz UHWICJMWQHQVLK-UHFFFAOYSA-N -1 1 257.318 3.850 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccccc2Br)c1=O ZINC000614184541 1121509708 /nfs/dbraw/zinc/50/97/08/1121509708.db2.gz BUXOAQIABWPHQS-SNVBAGLBSA-N -1 1 295.180 3.588 20 0 CHADMM CCCc1c(C)[n-]n(-c2cccc(Br)c2)c1=O ZINC000614184644 1121509808 /nfs/dbraw/zinc/50/98/08/1121509808.db2.gz BQKSWZWRPHLGKZ-GFCCVEGCSA-N -1 1 295.180 3.588 20 0 CHADMM COc1ccncc1Nc1c(Cl)ccc([O-])c1Cl ZINC001176123191 1121558028 /nfs/dbraw/zinc/55/80/28/1121558028.db2.gz OUOJNOBKWFQAPB-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM COc1ccc(O)cc1Nc1cc([O-])c(Cl)cc1F ZINC001176579834 1121659820 /nfs/dbraw/zinc/65/98/20/1121659820.db2.gz YDINRFJEPGKOEH-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Cl)nc2)c1F ZINC001176664005 1121670730 /nfs/dbraw/zinc/67/07/30/1121670730.db2.gz QORWSLDVGXWIMP-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2c(F)cccc2F)c1F ZINC001176669335 1121670964 /nfs/dbraw/zinc/67/09/64/1121670964.db2.gz HEVDAJGKRVFTOV-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176670579 1121671590 /nfs/dbraw/zinc/67/15/90/1121671590.db2.gz ZFVSXRONCJGGHF-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(Cl)n1 ZINC001176663715 1121672200 /nfs/dbraw/zinc/67/22/00/1121672200.db2.gz LPKVBSYMDBZXCS-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3oncc3c2)c1F ZINC001176672364 1121672914 /nfs/dbraw/zinc/67/29/14/1121672914.db2.gz HWWWNIHEPUVHRP-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM CCOc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672433 1121673018 /nfs/dbraw/zinc/67/30/18/1121673018.db2.gz KUDRWJUXFDTUHU-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM Cc1cc(O)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673683 1121673357 /nfs/dbraw/zinc/67/33/57/1121673357.db2.gz WFFKXUGTVITZTA-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM CCc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(O)c1 ZINC001176673026 1121673393 /nfs/dbraw/zinc/67/33/93/1121673393.db2.gz OXDGJXBLGWIVLX-UHFFFAOYSA-N -1 1 283.249 3.821 20 0 CHADMM Cc1cc(O)cc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671262 1121673665 /nfs/dbraw/zinc/67/36/65/1121673665.db2.gz VVLLFSNZEJPYLI-UHFFFAOYSA-N -1 1 283.249 3.876 20 0 CHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1F ZINC001176672168 1121673681 /nfs/dbraw/zinc/67/36/81/1121673681.db2.gz UWUFOCFKQBCMHJ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cncc(C3CC3)c2)c1F ZINC001176663368 1121678650 /nfs/dbraw/zinc/67/86/50/1121678650.db2.gz HCZIORSCQBEBLO-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc2occc2[nH]1 ZINC001179659525 1121895855 /nfs/dbraw/zinc/89/58/55/1121895855.db2.gz APVANOBDZCNRBO-UHFFFAOYSA-N -1 1 294.669 3.511 20 0 CHADMM CCCCC[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000732285314 1121915635 /nfs/dbraw/zinc/91/56/35/1121915635.db2.gz BAGXBRTXJGXWLX-KRWDZBQOSA-N -1 1 298.386 3.839 20 0 CHADMM [O-]c1cc(Nc2cnccc2Cl)c(F)c(F)c1F ZINC001249958740 1121963306 /nfs/dbraw/zinc/96/33/06/1121963306.db2.gz RKIAETBZIHNJBW-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CC[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000733471524 1121992526 /nfs/dbraw/zinc/99/25/26/1121992526.db2.gz WNLHYVMWFLLMNC-AWEZNQCLSA-N -1 1 292.281 3.979 20 0 CHADMM CC[C@H](C)CC[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674469 1122252220 /nfs/dbraw/zinc/25/22/20/1122252220.db2.gz HZBVELCLKPSEIT-QWRGUYRKSA-N -1 1 280.364 3.894 20 0 CHADMM CCC[C@@H](Oc1cc([O-])cc(O)c1C(C)=O)C(C)(C)C ZINC001225680059 1122256476 /nfs/dbraw/zinc/25/64/76/1122256476.db2.gz VLMKRFMGMYUHCY-CQSZACIVSA-N -1 1 280.364 3.894 20 0 CHADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc2ccccc2c1 ZINC000774874222 1122339088 /nfs/dbraw/zinc/33/90/88/1122339088.db2.gz BMVGTYZBLQIVEM-CYBMUJFWSA-N -1 1 283.371 3.934 20 0 CHADMM Cc1cc(C)c(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250229080 1122374333 /nfs/dbraw/zinc/37/43/33/1122374333.db2.gz ULQFFTUOHPRREA-UHFFFAOYSA-N -1 1 266.703 3.940 20 0 CHADMM CSc1ccccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001186747475 1122405837 /nfs/dbraw/zinc/40/58/37/1122405837.db2.gz UZTCANTXEYCUSI-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM CC(C)N(CC1CCC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632771052 1129054945 /nfs/dbraw/zinc/05/49/45/1129054945.db2.gz XKMFGWPOOOFTTK-UHFFFAOYSA-N -1 1 295.810 3.625 20 0 CHADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c(C)[nH]1 ZINC001188999710 1122484411 /nfs/dbraw/zinc/48/44/11/1122484411.db2.gz LKNTZOZTQWKADT-UHFFFAOYSA-N -1 1 298.264 3.608 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001189061777 1122488555 /nfs/dbraw/zinc/48/85/55/1122488555.db2.gz VDRXNCKUZDZARX-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM [O-]c1cc(F)c(CCc2ccc(F)cc2)cc1F ZINC001250325886 1122496563 /nfs/dbraw/zinc/49/65/63/1122496563.db2.gz LUPQWRDZGFADSC-UHFFFAOYSA-N -1 1 252.235 3.595 20 0 CHADMM Cc1cnc(SCCc2ccc3ccccc3c2)[n-]c1=O ZINC001189399318 1122499656 /nfs/dbraw/zinc/49/96/56/1122499656.db2.gz LEXYJAGUZUWDQN-UHFFFAOYSA-N -1 1 296.395 3.979 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCc3ccccc32)n1 ZINC000436188134 1122519957 /nfs/dbraw/zinc/51/99/57/1122519957.db2.gz UIVJTORNHJRGNW-LBPRGKRZSA-N -1 1 286.400 3.567 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000436477186 1122554791 /nfs/dbraw/zinc/55/47/91/1122554791.db2.gz HITHZEAYNGOGGM-UHFFFAOYSA-N -1 1 287.384 3.747 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CC4CCC3CC4)n2)cc1F ZINC000436521673 1122557599 /nfs/dbraw/zinc/55/75/99/1122557599.db2.gz OESVYLJPXAMCJL-CBINBANVSA-N -1 1 288.322 3.875 20 0 CHADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436579224 1122564419 /nfs/dbraw/zinc/56/44/19/1122564419.db2.gz YIHHKWOGASPYHK-SMDDNHRTSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1c(NC(=O)c2ccccc2[O-])cccc1-c1ncco1 ZINC000436676717 1122571427 /nfs/dbraw/zinc/57/14/27/1122571427.db2.gz SHDAQJIVGQOEKO-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM CCCc1nc(C)c(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436681081 1122571944 /nfs/dbraw/zinc/57/19/44/1122571944.db2.gz QJHXTFVVPAAOPR-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM Cc1ccc(C)c(Cc2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000436687782 1122572930 /nfs/dbraw/zinc/57/29/30/1122572930.db2.gz JKXMSZCHPCJVIJ-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM CCc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)c([O-])c1 ZINC000436816136 1122585460 /nfs/dbraw/zinc/58/54/60/1122585460.db2.gz CDLWUPNHHGCOKM-GFCCVEGCSA-N -1 1 281.355 3.719 20 0 CHADMM CCc1ccc(C(=O)N2C[C@H](C)c3ccccc32)c([O-])c1 ZINC000436816137 1122585777 /nfs/dbraw/zinc/58/57/77/1122585777.db2.gz CDLWUPNHHGCOKM-LBPRGKRZSA-N -1 1 281.355 3.719 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC12CCC2 ZINC000436825589 1122586944 /nfs/dbraw/zinc/58/69/44/1122586944.db2.gz DQYBXJZFJONKMY-CQSZACIVSA-N -1 1 293.794 3.696 20 0 CHADMM O=C(Nc1cc(F)cc(F)c1[O-])NC1CCCCCC1 ZINC001191277163 1122588770 /nfs/dbraw/zinc/58/87/70/1122588770.db2.gz GJAJDMNDCBUWMJ-UHFFFAOYSA-N -1 1 284.306 3.515 20 0 CHADMM C[C@H](Cc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436876733 1122589928 /nfs/dbraw/zinc/58/99/28/1122589928.db2.gz BEUMFGHGTAKAAN-LLVKDONJSA-N -1 1 298.317 3.928 20 0 CHADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000436872047 1122589989 /nfs/dbraw/zinc/58/99/89/1122589989.db2.gz RUYVXZHCCAQZKD-QGZVFWFLSA-N -1 1 299.345 3.817 20 0 CHADMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000436870843 1122590155 /nfs/dbraw/zinc/59/01/55/1122590155.db2.gz IUUBEAYPGDYWTB-UHFFFAOYSA-N -1 1 278.739 3.783 20 0 CHADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881264 1122591254 /nfs/dbraw/zinc/59/12/54/1122591254.db2.gz RRRAVZGZHMBWMK-UKRRQHHQSA-N -1 1 293.382 3.866 20 0 CHADMM Cc1sccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436878568 1122591353 /nfs/dbraw/zinc/59/13/53/1122591353.db2.gz KBPJKWHRYDWAME-UHFFFAOYSA-N -1 1 290.319 3.542 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001191416985 1122598469 /nfs/dbraw/zinc/59/84/69/1122598469.db2.gz FEGNMOVAFZJJCY-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cccc(N)c1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192323010 1122638451 /nfs/dbraw/zinc/63/84/51/1122638451.db2.gz WWMUSEYLDNOZJS-UHFFFAOYSA-N -1 1 298.386 3.833 20 0 CHADMM Cc1cc(NC(=O)Nc2ccc(F)cc2[O-])ccc1F ZINC001192382550 1122642648 /nfs/dbraw/zinc/64/26/48/1122642648.db2.gz QFWVOSDJVDSMNC-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])OC1CCCC1 ZINC001193562649 1122697605 /nfs/dbraw/zinc/69/76/05/1122697605.db2.gz KMUQUCQAEXRGTE-UHFFFAOYSA-N -1 1 255.701 3.537 20 0 CHADMM O=C(Nc1c([O-])cccc1Cl)OC1CCCCC1 ZINC001193632864 1122702992 /nfs/dbraw/zinc/70/29/92/1122702992.db2.gz UCZYDIHEXBTOOT-UHFFFAOYSA-N -1 1 269.728 3.927 20 0 CHADMM CO[C@H](C)c1nc(=NCC(C)(C)C2=CCCCC2)s[n-]1 ZINC000509593305 1122736255 /nfs/dbraw/zinc/73/62/55/1122736255.db2.gz PSKNKDCKMJSNFT-LLVKDONJSA-N -1 1 295.452 3.606 20 0 CHADMM Cc1ccc(OC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001194463436 1122776405 /nfs/dbraw/zinc/77/64/05/1122776405.db2.gz ZLGOACWGUJFVQK-UHFFFAOYSA-N -1 1 277.707 3.965 20 0 CHADMM C=Cc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194644355 1122787694 /nfs/dbraw/zinc/78/76/94/1122787694.db2.gz RCYICBSOGKSBHH-UHFFFAOYSA-N -1 1 287.384 3.747 20 0 CHADMM Cc1ccc([O-])c(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)n1 ZINC001195325526 1122861541 /nfs/dbraw/zinc/86/15/41/1122861541.db2.gz DNBQLDXKOIAMIN-AWEZNQCLSA-N -1 1 298.386 3.707 20 0 CHADMM Nc1c(Cl)cc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000028817550 1122867614 /nfs/dbraw/zinc/86/76/14/1122867614.db2.gz WKDBBGDARGGZDY-UHFFFAOYSA-N -1 1 297.141 3.534 20 0 CHADMM CCc1oc2ccccc2c1CNCc1cc(C(=O)[O-])co1 ZINC000426687631 1122908862 /nfs/dbraw/zinc/90/88/62/1122908862.db2.gz LFEAOJAGFYMHCL-UHFFFAOYSA-N -1 1 299.326 3.576 20 0 CHADMM CCCC[C@@](C)(F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664850557 1122914212 /nfs/dbraw/zinc/91/42/12/1122914212.db2.gz UKVBWMPIKKGYHH-CQSZACIVSA-N -1 1 282.290 3.956 20 0 CHADMM O=C(Nc1cccc2ccc(O)cc21)c1ccccc1[O-] ZINC000154922272 1129093383 /nfs/dbraw/zinc/09/33/83/1129093383.db2.gz VSUWWKFPKXOCNX-UHFFFAOYSA-N -1 1 279.295 3.503 20 0 CHADMM CC(=O)c1cc(F)c([N-]C(=O)c2ccoc2Cl)c(F)c1 ZINC000334492212 1123059162 /nfs/dbraw/zinc/05/91/62/1123059162.db2.gz HSISFYDOBDNPFY-UHFFFAOYSA-N -1 1 299.660 3.666 20 0 CHADMM O=C(NCc1ccccc1Cl)c1c([O-])cccc1Cl ZINC000049084797 1123089670 /nfs/dbraw/zinc/08/96/70/1123089670.db2.gz RPTAUNUDFUVZLH-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ncc1[O-] ZINC001202239683 1123192167 /nfs/dbraw/zinc/19/21/67/1123192167.db2.gz NIWZIXOMGQJLBS-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc(F)c([O-])cc1F ZINC001202375357 1123203551 /nfs/dbraw/zinc/20/35/51/1123203551.db2.gz GQEFWSNCYLYUOW-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001202433131 1123210742 /nfs/dbraw/zinc/21/07/42/1123210742.db2.gz WUXLGJDLXCTBAO-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C1c2ccccc2OC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000049371875 1123242901 /nfs/dbraw/zinc/24/29/01/1123242901.db2.gz XAIIZUJBLCFNKY-YRNVUSSQSA-N -1 1 286.714 3.704 20 0 CHADMM O=C1[N-]C(=S)SC1=Cc1ccc(Cl)c(F)c1 ZINC000049391062 1123260902 /nfs/dbraw/zinc/26/09/02/1123260902.db2.gz SNVYFRPTSZVSNH-YWEYNIOJSA-N -1 1 273.741 3.808 20 0 CHADMM CCCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674360 1123478720 /nfs/dbraw/zinc/47/87/20/1123478720.db2.gz MSBJOVGFOZRVHJ-UHFFFAOYSA-N -1 1 259.708 3.704 20 0 CHADMM CC(C)(C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885678675 1123484438 /nfs/dbraw/zinc/48/44/38/1123484438.db2.gz UNMLMIYCPVISCC-UHFFFAOYSA-N -1 1 271.719 3.559 20 0 CHADMM C[C@H](CC(F)(F)F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678914 1123484532 /nfs/dbraw/zinc/48/45/32/1123484532.db2.gz XMXYVRUIMHQFCA-RXMQYKEDSA-N -1 1 299.651 3.712 20 0 CHADMM CCCN(CCC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895585755 1123493970 /nfs/dbraw/zinc/49/39/70/1123493970.db2.gz ZEONGZTWJWUFHU-UHFFFAOYSA-N -1 1 287.359 3.513 20 0 CHADMM C[C@H]1CCCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896363213 1123576742 /nfs/dbraw/zinc/57/67/42/1123576742.db2.gz TWCSXAIERNSQNC-LBPRGKRZSA-N -1 1 299.370 3.656 20 0 CHADMM O=c1nc(N2CCCC3(CCCCC3)CC2)cc(Cl)[n-]1 ZINC000858508517 1123659546 /nfs/dbraw/zinc/65/95/46/1123659546.db2.gz GSSKEMBSTLTWOS-UHFFFAOYSA-N -1 1 295.814 3.776 20 0 CHADMM O=c1nc(N[C@H](C2CCC2)C2CCCC2)cc(Cl)[n-]1 ZINC000858597205 1123666420 /nfs/dbraw/zinc/66/64/20/1123666420.db2.gz WNWCLCSGEFPCDA-ZDUSSCGKSA-N -1 1 281.787 3.606 20 0 CHADMM O=c1nc(N[C@H]2CCCC23CCCCC3)cc(Cl)[n-]1 ZINC000858619379 1123667614 /nfs/dbraw/zinc/66/76/14/1123667614.db2.gz ADKKZUWNXCQCIX-JTQLQIEISA-N -1 1 281.787 3.751 20 0 CHADMM O=c1nc(N2CCC[C@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858634483 1123668460 /nfs/dbraw/zinc/66/84/60/1123668460.db2.gz FSJFEHAPPVGJAW-LBPRGKRZSA-N -1 1 295.814 3.632 20 0 CHADMM CC[C@@H](CCc1ccccc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858694665 1123669431 /nfs/dbraw/zinc/66/94/31/1123669431.db2.gz AZHHIWAOUMUECE-LBPRGKRZSA-N -1 1 291.782 3.659 20 0 CHADMM C[C@H](NC(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001202505979 1123788946 /nfs/dbraw/zinc/78/89/46/1123788946.db2.gz DSEKHEGXDQZLQL-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM C/C(=C\C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(C)(C)C ZINC000863477038 1123871698 /nfs/dbraw/zinc/87/16/98/1123871698.db2.gz SYRIRFSLDGHDEF-VAWYXSNFSA-N -1 1 299.374 3.509 20 0 CHADMM Cc1ccc(Cl)c(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC000864236313 1123919013 /nfs/dbraw/zinc/91/90/13/1123919013.db2.gz GQSGNAJWSMEJOS-UHFFFAOYSA-N -1 1 271.103 3.590 20 0 CHADMM C[C@@H]1CC[C@H](Cc2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445453703 1124084693 /nfs/dbraw/zinc/08/46/93/1124084693.db2.gz CGWZXQQVCFNRGV-ZJUUUORDSA-N -1 1 276.311 3.560 20 0 CHADMM Cc1ccc(CCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445455387 1124084714 /nfs/dbraw/zinc/08/47/14/1124084714.db2.gz DHXJOVOFDAZEJM-UHFFFAOYSA-N -1 1 298.317 3.675 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccccc3Cl)n2)c(F)c1 ZINC000445461306 1124085167 /nfs/dbraw/zinc/08/51/67/1124085167.db2.gz GEAPUUAZGRZRSG-UHFFFAOYSA-N 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MEIYVSXXGLBWJN-UHFFFAOYSA-N -1 1 298.317 3.907 20 0 CHADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C ZINC000445479420 1124086679 /nfs/dbraw/zinc/08/66/79/1124086679.db2.gz HPJLGQXWKPAGAE-SECBINFHSA-N -1 1 278.327 3.806 20 0 CHADMM CCc1oc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445483430 1124086754 /nfs/dbraw/zinc/08/67/54/1124086754.db2.gz UGNPQJZBRGAUTK-UHFFFAOYSA-N -1 1 288.278 3.712 20 0 CHADMM CC[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000445476554 1124087529 /nfs/dbraw/zinc/08/75/29/1124087529.db2.gz DXEBWRXBKBYCJS-JTQLQIEISA-N -1 1 278.327 3.806 20 0 CHADMM CC[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000445476555 1124087628 /nfs/dbraw/zinc/08/76/28/1124087628.db2.gz DXEBWRXBKBYCJS-SNVBAGLBSA-N -1 1 278.327 3.806 20 0 CHADMM CN(C(=O)c1ncc2ccccc2c1[O-])C1CCCCCC1 ZINC000665929295 1124115815 /nfs/dbraw/zinc/11/58/15/1124115815.db2.gz OCCAQKWZNRORCW-UHFFFAOYSA-N -1 1 298.386 3.735 20 0 CHADMM O=c1cc(CC2CC2)[n-]n1-c1cc(Cl)cc(Cl)c1 ZINC001245952534 1131259370 /nfs/dbraw/zinc/25/93/70/1131259370.db2.gz AAXPQVWJVICYTF-UHFFFAOYSA-N -1 1 283.158 3.837 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC[C@H](F)C1 ZINC001119996407 1131270118 /nfs/dbraw/zinc/27/01/18/1131270118.db2.gz YMYTYGMFNIPSLN-SFYZADRCSA-N -1 1 289.709 3.652 20 0 CHADMM CC[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871212397 1124603512 /nfs/dbraw/zinc/60/35/12/1124603512.db2.gz SQTAGLZKWUXABS-GFCCVEGCSA-N -1 1 289.297 3.571 20 0 CHADMM O=C(NCC1CCCCCCC1)c1cc(F)ccc1[O-] ZINC001136330327 1131283030 /nfs/dbraw/zinc/28/30/30/1131283030.db2.gz JCDXHWAWBXNPQA-UHFFFAOYSA-N -1 1 279.355 3.622 20 0 CHADMM O=C([O-])c1ccc(-c2cccc(C3=NCCC3)c2)c(F)c1 ZINC001239266379 1131308779 /nfs/dbraw/zinc/30/87/79/1131308779.db2.gz FTLNKDOYLQIOSP-UHFFFAOYSA-N -1 1 283.302 3.774 20 0 CHADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449802465 1124877761 /nfs/dbraw/zinc/87/77/61/1124877761.db2.gz KWBMQFRJOPNCNK-RISCZKNCSA-N -1 1 299.374 3.547 20 0 CHADMM Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc2nc[nH]c21 ZINC001239345638 1131320283 /nfs/dbraw/zinc/32/02/83/1131320283.db2.gz AZCJLJBLIXPWBH-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)[C@@H](C)C(C)C ZINC000876394662 1124944582 /nfs/dbraw/zinc/94/45/82/1124944582.db2.gz LZAMNJJGHIMYFO-NSHDSACASA-N -1 1 298.814 3.622 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1cccs1 ZINC001228560339 1125255153 /nfs/dbraw/zinc/25/51/53/1125255153.db2.gz NKKIEFBVVJLPJZ-VIFPVBQESA-N -1 1 292.356 3.892 20 0 CHADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666028479 1125255713 /nfs/dbraw/zinc/25/57/13/1125255713.db2.gz UMBACMSYMWZYAJ-SWLSCSKDSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000025365237 1125337194 /nfs/dbraw/zinc/33/71/94/1125337194.db2.gz RTYCIYXURIOIBJ-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001137187606 1125397931 /nfs/dbraw/zinc/39/79/31/1125397931.db2.gz DEBRZTOFDXLMOA-IUODEOHRSA-N -1 1 299.345 3.550 20 0 CHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(F)cc1[O-] ZINC000532622180 1125429164 /nfs/dbraw/zinc/42/91/64/1125429164.db2.gz ITAAOBGYZSPVIP-NSHDSACASA-N -1 1 295.354 3.598 20 0 CHADMM COC(=O)c1nc2cc(-c3cc(C)cc(C)c3)ccc2[n-]1 ZINC001239524397 1131363530 /nfs/dbraw/zinc/36/35/30/1131363530.db2.gz XRYSBOQURVZHTK-UHFFFAOYSA-N -1 1 280.327 3.633 20 0 CHADMM COC(=O)c1nc2ccc(-c3cc(C)cc(C)c3)cc2[n-]1 ZINC001239524397 1131363533 /nfs/dbraw/zinc/36/35/33/1131363533.db2.gz XRYSBOQURVZHTK-UHFFFAOYSA-N -1 1 280.327 3.633 20 0 CHADMM CCc1cc2ncnc(-c3cc(F)ccc3[O-])c2s1 ZINC001240695979 1129320477 /nfs/dbraw/zinc/32/04/77/1129320477.db2.gz UTNDITZZKLCQOQ-UHFFFAOYSA-N -1 1 274.320 3.765 20 0 CHADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(C(C)(C)C)n1 ZINC001241119662 1129459886 /nfs/dbraw/zinc/45/98/86/1129459886.db2.gz IHJIKPJPPAKZGK-UHFFFAOYSA-N -1 1 278.302 3.733 20 0 CHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000742024973 1129466503 /nfs/dbraw/zinc/46/65/03/1129466503.db2.gz FHVQBOZZSXDCPJ-UHFFFAOYSA-N -1 1 289.400 3.785 20 0 CHADMM O=C(Nc1ccc(Cl)nc1)c1cc2ccccc2cc1[O-] ZINC000303143257 1129530333 /nfs/dbraw/zinc/53/03/33/1129530333.db2.gz BMZJGRNXCKGOHU-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM O=C(OCCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000744978449 1129591096 /nfs/dbraw/zinc/59/10/96/1129591096.db2.gz RNZKCULUVNHKLH-UHFFFAOYSA-N -1 1 275.131 3.656 20 0 CHADMM CCSCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744977205 1129591452 /nfs/dbraw/zinc/59/14/52/1129591452.db2.gz IWZURJFLHIPPGE-UHFFFAOYSA-N -1 1 295.187 3.609 20 0 CHADMM CC(C)(C)C1CCC(CC(=O)[N-]OCC(F)(F)F)CC1 ZINC000766763423 1129741292 /nfs/dbraw/zinc/74/12/92/1129741292.db2.gz SLLPQVBTLBFEIU-UHFFFAOYSA-N -1 1 295.345 3.839 20 0 CHADMM Cc1nc2cc(-c3cccc(F)c3[O-])cnc2s1 ZINC001242351665 1129792249 /nfs/dbraw/zinc/79/22/49/1129792249.db2.gz NVLLSIQILSIINM-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000654308861 1129823942 /nfs/dbraw/zinc/82/39/42/1129823942.db2.gz HUOJEVXBYQBPDU-BXKDBHETSA-N -1 1 295.329 3.847 20 0 CHADMM CC1(C)CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000743553358 1129864487 /nfs/dbraw/zinc/86/44/87/1129864487.db2.gz JCKRXSAQHJQGBQ-UHFFFAOYSA-N -1 1 281.783 3.744 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000394120176 1129873361 /nfs/dbraw/zinc/87/33/61/1129873361.db2.gz ODKMEBUPALNIED-UHFFFAOYSA-N -1 1 263.724 3.666 20 0 CHADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000769735437 1129923304 /nfs/dbraw/zinc/92/33/04/1129923304.db2.gz TVZJWLCJOOOQGX-UHFFFAOYSA-N -1 1 289.762 3.711 20 0 CHADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c([O-])cccc1Cl ZINC000769868010 1129926818 /nfs/dbraw/zinc/92/68/18/1129926818.db2.gz CFOCGXLJSKYBLB-WZRBSPASSA-N -1 1 293.794 3.839 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCCC12CCCCC2 ZINC000770135043 1129940545 /nfs/dbraw/zinc/94/05/45/1129940545.db2.gz YGXZQQNZLOOTQS-UHFFFAOYSA-N -1 1 293.794 3.985 20 0 CHADMM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1c([O-])cccc1F ZINC000770863449 1129960729 /nfs/dbraw/zinc/96/07/29/1129960729.db2.gz QRHRSRPVPJYKRK-ALCCZGGFSA-N -1 1 296.301 3.665 20 0 CHADMM Cc1cc(CNCc2cc(C)cc(Cl)c2)oc1C(=O)[O-] ZINC000901939863 1129966467 /nfs/dbraw/zinc/96/64/67/1129966467.db2.gz RTAHWESVTWFRLB-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM CCc1oc(CN[C@@H]2CCc3c2cccc3C)cc1C(=O)[O-] ZINC000902230858 1129992516 /nfs/dbraw/zinc/99/25/16/1129992516.db2.gz JODLOIIZVOWGAI-MRXNPFEDSA-N -1 1 299.370 3.626 20 0 CHADMM Cc1oc(CN[C@@H](C)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000902236695 1129992786 /nfs/dbraw/zinc/99/27/86/1129992786.db2.gz VRBBRZUMMPAPKT-LBPRGKRZSA-N -1 1 287.359 3.754 20 0 CHADMM Cc1oc(CN[C@H]2CCCc3c(C)cccc32)cc1C(=O)[O-] ZINC000902467426 1130014082 /nfs/dbraw/zinc/01/40/82/1130014082.db2.gz WLTSTCMYCOZOOS-KRWDZBQOSA-N -1 1 299.370 3.762 20 0 CHADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)ccc1F ZINC001242799419 1130051255 /nfs/dbraw/zinc/05/12/55/1130051255.db2.gz JZEOVOHXIZUULD-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM CC[C@H]([N-]C(=O)C(F)(F)c1ccc(C)cc1)C(F)(F)F ZINC000787533715 1130154568 /nfs/dbraw/zinc/15/45/68/1130154568.db2.gz LZVSNTQWKDFJPP-JTQLQIEISA-N -1 1 295.251 3.544 20 0 CHADMM O=C(OCc1ccc(F)c(Cl)c1)c1ccc([O-])cc1F ZINC000787769326 1130163189 /nfs/dbraw/zinc/16/31/89/1130163189.db2.gz VZNQZMKQBFDXNN-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000789930650 1130280415 /nfs/dbraw/zinc/28/04/15/1130280415.db2.gz YTPVAEGMGMDOJX-SNVBAGLBSA-N -1 1 290.750 3.573 20 0 CHADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000789930649 1130280971 /nfs/dbraw/zinc/28/09/71/1130280971.db2.gz YTPVAEGMGMDOJX-JTQLQIEISA-N -1 1 290.750 3.573 20 0 CHADMM COC(=O)c1nc2cc(-c3cc(C)sc3C)ccc2[n-]1 ZINC001240431149 1130308643 /nfs/dbraw/zinc/30/86/43/1130308643.db2.gz PGFOXGSLOZOCSU-UHFFFAOYSA-N -1 1 286.356 3.695 20 0 CHADMM COC(=O)c1nc2ccc(-c3cc(C)sc3C)cc2[n-]1 ZINC001240431149 1130308648 /nfs/dbraw/zinc/30/86/48/1130308648.db2.gz PGFOXGSLOZOCSU-UHFFFAOYSA-N -1 1 286.356 3.695 20 0 CHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000678307591 1130396791 /nfs/dbraw/zinc/39/67/91/1130396791.db2.gz BLCLIMBPOQBWMF-MRXNPFEDSA-N -1 1 299.345 3.755 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(C(F)(F)F)n1 ZINC001240693629 1130421263 /nfs/dbraw/zinc/42/12/63/1130421263.db2.gz CMIWKSHHDXKDPA-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM Cc1cc2c(ncnc2-c2cc(F)ccc2[O-])s1 ZINC001240694119 1130421524 /nfs/dbraw/zinc/42/15/24/1130421524.db2.gz MYOOHKSWSZOMMO-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc2cc(F)ccc2cn1 ZINC001240693573 1130421588 /nfs/dbraw/zinc/42/15/88/1130421588.db2.gz GBQOJRJLQAUTNT-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(F)c(C(F)(F)F)n1 ZINC001240693299 1130421670 /nfs/dbraw/zinc/42/16/70/1130421670.db2.gz LOGWPDXUXFENOL-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc2ccc(F)cc2cn1 ZINC001240695477 1130422663 /nfs/dbraw/zinc/42/26/63/1130422663.db2.gz KRZJRJJBGYMLSW-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1cc(C)c2ccc(-c3cc(F)ccc3[O-])nc2n1 ZINC001240695792 1130422870 /nfs/dbraw/zinc/42/28/70/1130422870.db2.gz SHRYXQUVDZDBFZ-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM COC(=O)c1cc2ccccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240695748 1130422940 /nfs/dbraw/zinc/42/29/40/1130422940.db2.gz PWIDDKYLNPSDAX-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM CC(C)c1nc2[nH]ccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240696653 1130423857 /nfs/dbraw/zinc/42/38/57/1130423857.db2.gz VFKNSVRAWFFMRJ-UHFFFAOYSA-N -1 1 271.295 3.545 20 0 CHADMM [O-]c1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1F ZINC001240783903 1130468308 /nfs/dbraw/zinc/46/83/08/1130468308.db2.gz ZEJKPFSUVICZPC-UHFFFAOYSA-N -1 1 292.313 3.754 20 0 CHADMM [O-]c1ccc(-c2ncnc3[nH]c4cc(F)ccc4c32)cc1F ZINC001240786090 1130469525 /nfs/dbraw/zinc/46/95/25/1130469525.db2.gz LJEPYIGKZDMOHV-UHFFFAOYSA-N -1 1 297.264 3.762 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3ccccc3F)nn2)cc1F ZINC001240786661 1130470323 /nfs/dbraw/zinc/47/03/23/1130470323.db2.gz YOBOGCSRCZSROL-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM CC(C)C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000759348028 1130653240 /nfs/dbraw/zinc/65/32/40/1130653240.db2.gz XLLONUOHJMXFOE-LBPRGKRZSA-N -1 1 295.810 3.944 20 0 CHADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC/C=C\Cl)c1 ZINC000812399819 1130686295 /nfs/dbraw/zinc/68/62/95/1130686295.db2.gz BYDQGOXNLAFCHQ-DMTLFAOVSA-N -1 1 295.810 3.789 20 0 CHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OC/C=C\Cl)cc1 ZINC000812404164 1130686425 /nfs/dbraw/zinc/68/64/25/1130686425.db2.gz XGYYQCBMYPXSKU-PRUHKGEBSA-N -1 1 295.810 3.789 20 0 CHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC3CCC3)ccc2c1 ZINC000812788843 1130714428 /nfs/dbraw/zinc/71/44/28/1130714428.db2.gz CGCZOIHVSYVUKM-LBPRGKRZSA-N -1 1 299.370 3.552 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1cccnc1F ZINC000813304359 1130760393 /nfs/dbraw/zinc/76/03/93/1130760393.db2.gz VXCIDGFZOVYVAB-UHFFFAOYSA-N -1 1 294.326 3.724 20 0 CHADMM CC[C@@H](C)CON=c1nc(-c2ccccc2)[n-]s1 ZINC000813621567 1130777825 /nfs/dbraw/zinc/77/78/25/1130777825.db2.gz ABNHZYSWXRWDTB-SNVBAGLBSA-N -1 1 263.366 3.595 20 0 CHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000782810636 1130789668 /nfs/dbraw/zinc/78/96/68/1130789668.db2.gz PQKKGWFNPOQERY-MDZLAQPJSA-N -1 1 293.794 3.696 20 0 CHADMM Cc1c(Cl)c(-c2cccc3cncn32)ccc1C(=O)[O-] ZINC001236126734 1130871078 /nfs/dbraw/zinc/87/10/78/1130871078.db2.gz AECGRKKBHWQEOS-UHFFFAOYSA-N -1 1 286.718 3.661 20 0 CHADMM O=C([O-])c1c(Cl)ccc(-c2ccc3[nH]cnc3c2)c1F ZINC001236151754 1130875530 /nfs/dbraw/zinc/87/55/30/1130875530.db2.gz FFRDYFTVWYUTTR-UHFFFAOYSA-N -1 1 290.681 3.721 20 0 CHADMM COc1ccc2nc(-c3c(F)ccc(C)c3[O-])c(C)nc2c1 ZINC001236390652 1130924928 /nfs/dbraw/zinc/92/49/28/1130924928.db2.gz GENKZUDEQXSDOX-UHFFFAOYSA-N -1 1 298.317 3.767 20 0 CHADMM CC(C)c1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001135506025 1131074045 /nfs/dbraw/zinc/07/40/45/1131074045.db2.gz SYAHMTMDLZTDPI-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM Cc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1F ZINC001135551167 1131085477 /nfs/dbraw/zinc/08/54/77/1131085477.db2.gz VUDBUKIGFRQLBA-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM [O-]c1c(CN2CCCCC23CC3)cc(Cl)nc1Cl ZINC001237536442 1131112243 /nfs/dbraw/zinc/11/22/43/1131112243.db2.gz COTXSVKQXLPUBW-UHFFFAOYSA-N -1 1 287.190 3.613 20 0 CHADMM CC[C@@H](C)CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001116902776 1131169733 /nfs/dbraw/zinc/16/97/33/1131169733.db2.gz RRPDLGLENDTCGD-MRVPVSSYSA-N -1 1 286.169 3.529 20 0 CHADMM C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)[C@@H]1C ZINC001238153143 1131176010 /nfs/dbraw/zinc/17/60/10/1131176010.db2.gz XNJJMIGRZYSQGL-NXEZZACHSA-N -1 1 271.763 3.805 20 0 CHADMM Cc1ccc([C@H](NC(=O)c2c([O-])cccc2F)C2CC2)cc1 ZINC001135984680 1131179422 /nfs/dbraw/zinc/17/94/22/1131179422.db2.gz IPZKTCGCZANFAC-KRWDZBQOSA-N -1 1 299.345 3.721 20 0 CHADMM CCCOc1ccccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001136104555 1131200042 /nfs/dbraw/zinc/20/00/42/1131200042.db2.gz JAJIOTIZGPNFRR-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM [O-]c1ccc(F)c(-c2ccc3c(c2)CCOC3)c1Cl ZINC001245832095 1131202126 /nfs/dbraw/zinc/20/21/26/1131202126.db2.gz HQOQGRUYSVIGSQ-UHFFFAOYSA-N -1 1 278.710 3.924 20 0 CHADMM O=C1c2ccccc2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000209251601 1131206602 /nfs/dbraw/zinc/20/66/02/1131206602.db2.gz XAIIZUJBLCFNKY-XFFZJAGNSA-N -1 1 286.714 3.704 20 0 CHADMM [O-]c1ccc(F)c(-c2cncc(-c3ncco3)c2)c1Cl ZINC001245835925 1131206623 /nfs/dbraw/zinc/20/66/23/1131206623.db2.gz QFUABIRKOPLDNL-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC001136701684 1131422506 /nfs/dbraw/zinc/42/25/06/1131422506.db2.gz JRJUCFFNYSVNJW-RYUDHWBXSA-N -1 1 295.810 3.990 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC001136701682 1131422699 /nfs/dbraw/zinc/42/26/99/1131422699.db2.gz JRJUCFFNYSVNJW-NEPJUHHUSA-N -1 1 295.810 3.990 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)cc1C ZINC001202826764 1131502636 /nfs/dbraw/zinc/50/26/36/1131502636.db2.gz MUXORMWDUJXTFD-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144541980 1131653372 /nfs/dbraw/zinc/65/33/72/1131653372.db2.gz OAGSUMFPLODKOM-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM C[C@H]1CCC[C@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227882594 1131759391 /nfs/dbraw/zinc/75/93/91/1131759391.db2.gz YEHUPBXUOHJUSK-UWVGGRQHSA-N -1 1 275.377 3.645 20 0 CHADMM O=C(N[C@H](CC1CC1)c1ccccc1)c1c([O-])cccc1F ZINC001147032390 1131807854 /nfs/dbraw/zinc/80/78/54/1131807854.db2.gz CUVPXMROSSSVGQ-OAHLLOKOSA-N -1 1 299.345 3.803 20 0 CHADMM CC[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001147553286 1131828442 /nfs/dbraw/zinc/82/84/42/1131828442.db2.gz QCLUBKLULSAUGH-VXGBXAGGSA-N -1 1 295.810 3.625 20 0 CHADMM O=C(N[C@H]1CC=CCC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148871698 1131875841 /nfs/dbraw/zinc/87/58/41/1131875841.db2.gz CJVBDKHAXIERJA-HNNXBMFYSA-N -1 1 293.366 3.898 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@@H]1C ZINC001228556763 1131909610 /nfs/dbraw/zinc/90/96/10/1131909610.db2.gz RECNSQKUHDKPQU-HZMBPMFUSA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C1CCCC1 ZINC001228557589 1131910653 /nfs/dbraw/zinc/91/06/53/1131910653.db2.gz YHKWHUWPLSAQCL-JTQLQIEISA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCc2ccccc21 ZINC001228560236 1131910750 /nfs/dbraw/zinc/91/07/50/1131910750.db2.gz LUZHZHQDJJBAHX-INIZCTEOSA-N -1 1 298.338 3.757 20 0 CHADMM C[C@H](Oc1cnnc(=S)[n-]1)c1cc2ccccc2s1 ZINC001228640350 1131927251 /nfs/dbraw/zinc/92/72/51/1131927251.db2.gz QIZHNYNXBQDJHC-QMMMGPOBSA-N -1 1 289.385 3.515 20 0 CHADMM CCN(Cc1ccc(F)cc1)Cc1ccc([O-])c(F)c1F ZINC001140893523 1131959206 /nfs/dbraw/zinc/95/92/06/1131959206.db2.gz QWMIKQBFKOJHBP-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM [O-]c1c(F)cc(CN2Cc3cccc(Cl)c3C2)cc1F ZINC001140991041 1131980456 /nfs/dbraw/zinc/98/04/56/1131980456.db2.gz VPFUZUAGFDAGQI-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc(=O)ccc23)cc1 ZINC001229134670 1132024550 /nfs/dbraw/zinc/02/45/50/1132024550.db2.gz HUBRRCLLHMZLOA-GFCCVEGCSA-N -1 1 296.322 3.947 20 0 CHADMM CCCCC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136221 1132024846 /nfs/dbraw/zinc/02/48/46/1132024846.db2.gz UQXAPGWLZUHRRK-LLVKDONJSA-N -1 1 276.332 3.846 20 0 CHADMM CCOC[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411160 1132060735 /nfs/dbraw/zinc/06/07/35/1132060735.db2.gz PLGYOMQJBZZBES-SSDOTTSWSA-N -1 1 265.136 3.503 20 0 CHADMM [O-]c1cc(OC[C@@H]2CCCCO2)c(Cl)cc1Cl ZINC001229410151 1132064004 /nfs/dbraw/zinc/06/40/04/1132064004.db2.gz IKULECXUTVMBGP-QMMMGPOBSA-N -1 1 277.147 3.647 20 0 CHADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC001171638586 1132080836 /nfs/dbraw/zinc/08/08/36/1132080836.db2.gz ZMNSUGIBKBBIRM-UONOGXRCSA-N -1 1 299.345 3.836 20 0 CHADMM Cc1ccc(C(F)(F)C(=O)[N-]C(C)(C)C(F)(F)F)cc1 ZINC000839383520 1132203900 /nfs/dbraw/zinc/20/39/00/1132203900.db2.gz JLDLXDCLVRZLSU-UHFFFAOYSA-N -1 1 295.251 3.544 20 0 CHADMM CCC[C@@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044146 1132246569 /nfs/dbraw/zinc/24/65/69/1132246569.db2.gz GGHCWBRFSZMQPO-ZCFIWIBFSA-N -1 1 274.151 3.832 20 0 CHADMM CCC[C@@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231044146 1132246573 /nfs/dbraw/zinc/24/65/73/1132246573.db2.gz GGHCWBRFSZMQPO-ZCFIWIBFSA-N -1 1 274.151 3.832 20 0 CHADMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1(C)C ZINC001141831375 1132252768 /nfs/dbraw/zinc/25/27/68/1132252768.db2.gz MKDBNZUPIKKOGE-XPTSAGLGSA-N -1 1 295.329 3.847 20 0 CHADMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc([O-])cn1 ZINC001141851971 1132256230 /nfs/dbraw/zinc/25/62/30/1132256230.db2.gz LTDLIISQWWJGHF-UHFFFAOYSA-N -1 1 296.370 3.504 20 0 CHADMM CC[C@@H](Oc1cccnc1-c1ncccc1[O-])C(C)C ZINC001231203793 1132271036 /nfs/dbraw/zinc/27/10/36/1132271036.db2.gz MIDWFXIFHVQGDI-CYBMUJFWSA-N -1 1 272.348 3.663 20 0 CHADMM CCCN(CC1CCCCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001142094676 1132324487 /nfs/dbraw/zinc/32/44/87/1132324487.db2.gz LJRSFXUEMDFGSX-UHFFFAOYSA-N -1 1 293.382 3.964 20 0 CHADMM CC[C@@H]1CCN(Cc2c(Cl)cc(O)cc2Cl)C1 ZINC001142122145 1132330324 /nfs/dbraw/zinc/33/03/24/1132330324.db2.gz MHCDEVUARVUAOH-SECBINFHSA-N -1 1 274.191 3.931 20 0 CHADMM C[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)CC1(F)F ZINC001231733238 1132347527 /nfs/dbraw/zinc/34/75/27/1132347527.db2.gz OENVRDOVGVDLCS-VIFPVBQESA-N -1 1 275.726 3.523 20 0 CHADMM C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231737339 1132348997 /nfs/dbraw/zinc/34/89/97/1132348997.db2.gz PHSSXNQQPQUKID-LBPRGKRZSA-N -1 1 287.790 3.992 20 0 CHADMM O=C(/C=C/c1ccoc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001142262001 1132359487 /nfs/dbraw/zinc/35/94/87/1132359487.db2.gz RJNFSWBRMAUPQW-SNAWJCMRSA-N -1 1 297.232 3.656 20 0 CHADMM CC[C@@H]1CC[C@@H](Nc2c(C)c(=O)[n-]n2-c2ccccc2)C1 ZINC001173273908 1132439067 /nfs/dbraw/zinc/43/90/67/1132439067.db2.gz HETBJASOPRJGJX-ZIAGYGMSSA-N -1 1 285.391 3.877 20 0 CHADMM CC1CC(N(C)Cc2ccc(Cl)c([O-])c2Cl)C1 ZINC001232623996 1132496612 /nfs/dbraw/zinc/49/66/12/1132496612.db2.gz AJFFMGCCCIAQEI-UHFFFAOYSA-N -1 1 274.191 3.929 20 0 CHADMM CN(CCC1CC1)Cc1ccc(Cl)c([O-])c1Cl ZINC001232626756 1132497857 /nfs/dbraw/zinc/49/78/57/1132497857.db2.gz AJSPHQIXBNZBNH-UHFFFAOYSA-N -1 1 274.191 3.931 20 0 CHADMM CSc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001173812475 1132517079 /nfs/dbraw/zinc/51/70/79/1132517079.db2.gz LHNGZFADHQESFM-UHFFFAOYSA-N -1 1 266.753 3.906 20 0 CHADMM Oc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1Cl ZINC001232787764 1132521439 /nfs/dbraw/zinc/52/14/39/1132521439.db2.gz ARBMRKVQKDXZRB-JTQLQIEISA-N -1 1 275.726 3.523 20 0 CHADMM [O-]c1cc(CN2CC[C@H]2c2ccccc2)cc(F)c1F ZINC001232973051 1132553544 /nfs/dbraw/zinc/55/35/44/1132553544.db2.gz KUKIHLBJZOODRT-AWEZNQCLSA-N -1 1 275.298 3.617 20 0 CHADMM CCOc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001173850882 1132553768 /nfs/dbraw/zinc/55/37/68/1132553768.db2.gz OGGZQWBJCHGUPL-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM Cc1cscc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001151451564 1132570078 /nfs/dbraw/zinc/57/00/78/1132570078.db2.gz 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ZINC001225616587 1135597517 /nfs/dbraw/zinc/59/75/17/1135597517.db2.gz MPZUEWQQZKKZKY-DOMZBBRYSA-N -1 1 262.349 3.942 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCc2ccccc21 ZINC001225678353 1135607960 /nfs/dbraw/zinc/60/79/60/1135607960.db2.gz HRFRSSREVQDDDQ-INIZCTEOSA-N -1 1 298.338 3.757 20 0 CHADMM CC[C@H]1CCCC[C@@H]1Oc1cc([O-])cc(O)c1C(C)=O ZINC001225680049 1135608042 /nfs/dbraw/zinc/60/80/42/1135608042.db2.gz VKCSJWRDQXISLA-FZMZJTMJSA-N -1 1 278.348 3.648 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccccc1C ZINC001225679987 1135608081 /nfs/dbraw/zinc/60/80/81/1135608081.db2.gz UCTCMUHRVHSNAZ-LBPRGKRZSA-N -1 1 286.327 3.749 20 0 CHADMM C[C@H](Oc1ccc(C(=O)c2ccc([O-])cc2)cc1)C1CC1 ZINC001225811398 1135625538 /nfs/dbraw/zinc/62/55/38/1135625538.db2.gz WIVRLPUZEIAZBS-LBPRGKRZSA-N -1 1 282.339 3.801 20 0 CHADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(Cl)c1 ZINC001226244785 1135676018 /nfs/dbraw/zinc/67/60/18/1135676018.db2.gz GLDUQGSRKBYOEH-QMMMGPOBSA-N -1 1 296.779 3.567 20 0 CHADMM C[C@H](Oc1cnc[n-]c1=O)c1cc2ccccc2s1 ZINC001227048537 1135778558 /nfs/dbraw/zinc/77/85/58/1135778558.db2.gz FZBHOHBBOLVXRL-VIFPVBQESA-N -1 1 272.329 3.537 20 0 CHADMM CC[C@H]1CCCC[C@H]1Oc1cc([O-])ccc1C(=O)COC ZINC001227168046 1135793753 /nfs/dbraw/zinc/79/37/53/1135793753.db2.gz DKNHVDRPYKUTSB-BLLLJJGKSA-N -1 1 292.375 3.569 20 0 CHADMM Cc1oc(CN(C)Cc2cc(C)ccc2C)cc1C(=O)[O-] ZINC000574406468 335017258 /nfs/dbraw/zinc/01/72/58/335017258.db2.gz QHMADIUZFPJLAP-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)c(Cl)c1 ZINC000574488713 335023537 /nfs/dbraw/zinc/02/35/37/335023537.db2.gz QQOIEPYWSRKRHG-PTRXPTGYSA-N -1 1 290.750 3.684 20 0 CHADMM CCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000002536790 169804657 /nfs/dbraw/zinc/80/46/57/169804657.db2.gz SWRKESCJWATMIJ-DHZHZOJOSA-N -1 1 279.386 3.805 20 0 CHADMM Cc1csc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000006218904 170183389 /nfs/dbraw/zinc/18/33/89/170183389.db2.gz RICWRMLMHFVUKI-UHFFFAOYSA-N -1 1 284.340 3.563 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296.301 3.737 20 0 CHADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000414658459 263022796 /nfs/dbraw/zinc/02/27/96/263022796.db2.gz MVACXDJSSHZKTM-XBFCOCLRSA-N -1 1 293.407 3.772 20 0 CHADMM Cc1ccc(-c2ccc(CN[C@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC000417633145 264548067 /nfs/dbraw/zinc/54/80/67/264548067.db2.gz ZFPFLRGQNYTVQI-MRXNPFEDSA-N -1 1 299.370 3.598 20 0 CHADMM COc1ccc(C(=O)N(CC(C)C)c2ccccc2)c([O-])c1 ZINC000320679776 265018086 /nfs/dbraw/zinc/01/80/86/265018086.db2.gz OKOHDJSWUOAGBL-UHFFFAOYSA-N -1 1 299.370 3.704 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1C1CCCCC1 ZINC000094020197 265209070 /nfs/dbraw/zinc/20/90/70/265209070.db2.gz GHLYPPQDFNBLKW-HNNXBMFYSA-N -1 1 291.366 3.716 20 0 CHADMM O=C(Cc1ccc(F)c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000094842274 265264360 /nfs/dbraw/zinc/26/43/60/265264360.db2.gz YFXBBEUODYZWCU-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000378818941 327759360 /nfs/dbraw/zinc/75/93/60/327759360.db2.gz DEKSFYDVEQJLSI-BBRMVZONSA-N -1 1 281.355 3.560 20 0 CHADMM CC(C(=O)Nc1ccc([O-])c(Cl)c1)=C1CCCC1 ZINC000182869033 327815801 /nfs/dbraw/zinc/81/58/01/327815801.db2.gz LSQGMUVYFOAOEV-UHFFFAOYSA-N -1 1 265.740 3.875 20 0 CHADMM Cc1cnc(SCC2CCCCCC2)[n-]c1=O ZINC000563440563 328065423 /nfs/dbraw/zinc/06/54/23/328065423.db2.gz SRWUUFWSNYJEFO-UHFFFAOYSA-N -1 1 252.383 3.553 20 0 CHADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012599 328389362 /nfs/dbraw/zinc/38/93/62/328389362.db2.gz VEOAGZUYPGZUGC-WDEREUQCSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1ccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2c1C ZINC000536389406 327234932 /nfs/dbraw/zinc/23/49/32/327234932.db2.gz CDRDTRYIVMPXHV-UHFFFAOYSA-N -1 1 274.270 3.831 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC[C@H]1C1CC1 ZINC000574085779 327288799 /nfs/dbraw/zinc/28/87/99/327288799.db2.gz AXTWXGKSIYGLIW-WDEREUQCSA-N -1 1 295.329 3.825 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCCC4)n2)cc1F ZINC000562476903 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C[C@H]1[C@@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000399581489 330242903 /nfs/dbraw/zinc/24/29/03/330242903.db2.gz RTHGBBVNLAIVAM-JHJVBQTASA-N -1 1 283.371 3.662 20 0 CHADMM C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528170558 330311261 /nfs/dbraw/zinc/31/12/61/330311261.db2.gz ZMOCUZQIWVHPQM-PAWXDDDFSA-N -1 1 290.750 3.855 20 0 CHADMM O=C(NCc1ccsc1)c1ccc2ccccc2c1[O-] ZINC000057411710 330375004 /nfs/dbraw/zinc/37/50/04/330375004.db2.gz ZULBMBQSVHEALQ-UHFFFAOYSA-N -1 1 283.352 3.537 20 0 CHADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccccc1[O-] ZINC000089223029 330381420 /nfs/dbraw/zinc/38/14/20/330381420.db2.gz VCGAZWODAJEHPG-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM [O-]c1ccc(/C=C/c2nc3ccccc3o2)cc1F ZINC000120760075 330391116 /nfs/dbraw/zinc/39/11/16/330391116.db2.gz WKHQCJNISHAGRY-SOFGYWHQSA-N -1 1 255.248 3.843 20 0 CHADMM CC(C)CN(C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000315132115 330472277 /nfs/dbraw/zinc/47/22/77/330472277.db2.gz RSNSPIANARPZKA-UHFFFAOYSA-N -1 1 287.334 3.834 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2cc3ccccc3o2)n1 ZINC000436183514 330670377 /nfs/dbraw/zinc/67/03/77/330670377.db2.gz AMOSNWKEBCHORT-UHFFFAOYSA-N -1 1 286.356 3.783 20 0 CHADMM [O-]c1ccc(-c2noc(-c3sccc3F)n2)c(Cl)c1 ZINC000436522064 330678945 /nfs/dbraw/zinc/67/89/45/330678945.db2.gz QVFICWCWBHBDRP-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM C[C@H]1c2ccccc2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436581503 330680648 /nfs/dbraw/zinc/68/06/48/330680648.db2.gz FVYHNCXXHLFPQW-JTQLQIEISA-N -1 1 287.746 3.763 20 0 CHADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436579223 330680692 /nfs/dbraw/zinc/68/06/92/330680692.db2.gz YIHHKWOGASPYHK-RISCZKNCSA-N -1 1 279.355 3.572 20 0 CHADMM CCCCC[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436606934 330681290 /nfs/dbraw/zinc/68/12/90/330681290.db2.gz RHCVNRJQXZUEMV-ZDUSSCGKSA-N -1 1 279.355 3.716 20 0 CHADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436850994 330686787 /nfs/dbraw/zinc/68/67/87/330686787.db2.gz KCKIJDUIXAYQSS-JSGCOSHPSA-N -1 1 283.371 3.806 20 0 CHADMM CC1=C[C@H](C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436997515 330690669 /nfs/dbraw/zinc/69/06/69/330690669.db2.gz NEPXMAMAIUXUIG-LBPRGKRZSA-N -1 1 281.355 3.584 20 0 CHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443279659 330797707 /nfs/dbraw/zinc/79/77/07/330797707.db2.gz ZMESLIVWNRGSTN-NXEZZACHSA-N -1 1 299.798 3.609 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cc(F)ccc3F)n2)cc1F ZINC000445479455 330829634 /nfs/dbraw/zinc/82/96/34/330829634.db2.gz VVTVDRMGWIIFCY-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCC(F)(F)C2)[n-]1 ZINC000450954836 331008673 /nfs/dbraw/zinc/00/86/73/331008673.db2.gz DGKJVRCUMRNYBA-ZCFIWIBFSA-N -1 1 296.289 3.647 20 0 CHADMM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc([O-])cc1F ZINC000452507730 331066855 /nfs/dbraw/zinc/06/68/55/331066855.db2.gz GWWGXUXGGQNVAF-INIZCTEOSA-N -1 1 279.355 3.572 20 0 CHADMM CCCCOc1ccccc1NC(=O)c1ccccc1[O-] ZINC000195535238 331176633 /nfs/dbraw/zinc/17/66/33/331176633.db2.gz 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/nfs/dbraw/zinc/09/14/33/333091433.db2.gz IMGPQLXHPSURHF-OLZOCXBDSA-N -1 1 283.371 3.806 20 0 CHADMM CCc1onc(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192239389 333233802 /nfs/dbraw/zinc/23/38/02/333233802.db2.gz WFVKXUQMNSHOMP-UHFFFAOYSA-N -1 1 295.726 3.548 20 0 CHADMM CC(C)CC1(CNC(=O)c2ccc([O-])cc2F)CCCC1 ZINC000226427401 333260661 /nfs/dbraw/zinc/26/06/61/333260661.db2.gz HHCGTQHMBORKJH-UHFFFAOYSA-N -1 1 293.382 3.868 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)s1 ZINC000228834825 333297724 /nfs/dbraw/zinc/29/77/24/333297724.db2.gz YWKFLWDYXKSSJO-SSDOTTSWSA-N -1 1 299.754 3.737 20 0 CHADMM Cc1cc([C@H](C)NC(=O)c2c([O-])cccc2F)c(C)s1 ZINC000228837508 333297822 /nfs/dbraw/zinc/29/78/22/333297822.db2.gz YYZYFJWANJIGQL-VIFPVBQESA-N -1 1 293.363 3.701 20 0 CHADMM Cc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000230228738 333316207 /nfs/dbraw/zinc/31/62/07/333316207.db2.gz RCMIQSLPBROWQB-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM CCCCCN(C(=O)c1cc(F)ccc1[O-])C(C)C ZINC000128637036 333691779 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CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000281124906 523647686 /nfs/dbraw/zinc/64/76/86/523647686.db2.gz IJBURIUCRXGKGH-CMPLNLGQSA-N -1 1 297.782 3.579 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000087846507 598180178 /nfs/dbraw/zinc/18/01/78/598180178.db2.gz UTUNYDQKXACGMJ-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM C[C@@H](c1cc2ccccc2o1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000736716033 599847065 /nfs/dbraw/zinc/84/70/65/599847065.db2.gz XMTIAWMOOTYOHL-NSHDSACASA-N -1 1 299.326 3.917 20 0 CHADMM C[C@@H]1c2ccccc2CN1[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527801 601117206 /nfs/dbraw/zinc/11/72/06/601117206.db2.gz PCWVAQHQAUEWFP-BZNIZROVSA-N -1 1 285.318 3.528 20 0 CHADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000828455491 601647704 /nfs/dbraw/zinc/64/77/04/601647704.db2.gz DCTWZYADOHDEBM-YVEFUNNKSA-N -1 1 299.345 3.717 20 0 CHADMM C[C@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000109602276 601942019 /nfs/dbraw/zinc/94/20/19/601942019.db2.gz 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/nfs/dbraw/zinc/87/38/56/971873856.db2.gz AASANCQYDRZTKS-UHFFFAOYSA-N -1 1 299.345 3.689 20 0 CHADMM Cc1oc(CN(C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000049727610 957480767 /nfs/dbraw/zinc/48/07/67/957480767.db2.gz BTXRQAOGUJEZFC-VIFPVBQESA-N -1 1 279.361 3.541 20 0 CHADMM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1occc1C(=O)[O-] ZINC000062015127 957596938 /nfs/dbraw/zinc/59/69/38/957596938.db2.gz FTHNYJFYVWZOSQ-JTQLQIEISA-N -1 1 293.750 3.824 20 0 CHADMM Cc1cc([C@@H](C)NCc2ccc(C(=O)[O-])c(F)c2)c(C)o1 ZINC000235216475 960398004 /nfs/dbraw/zinc/39/80/04/960398004.db2.gz LZBLEDWQOWUBLH-SNVBAGLBSA-N -1 1 291.322 3.585 20 0 CHADMM Cc1ccnc(NCc2ccc(C(=O)[O-])s2)c1C1CC1 ZINC000903690826 969587708 /nfs/dbraw/zinc/58/77/08/969587708.db2.gz UIWKMYZYJDJEJU-UHFFFAOYSA-N -1 1 288.372 3.639 20 0 CHADMM CC[C@@H](NCc1occc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001595304957 980441978 /nfs/dbraw/zinc/44/19/78/980441978.db2.gz CCQCEHBJOHLNIW-CQSZACIVSA-N -1 1 291.322 3.666 20 0 CHADMM CCc1oc(CNC2(c3ccccc3)CCC2)cc1C(=O)[O-] 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CCC[C@]1(C)CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617575 981654732 /nfs/dbraw/zinc/65/47/32/981654732.db2.gz QZUQKKJTSXZWOX-XHDPSFHLSA-N -1 1 296.436 3.805 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)Nc1cc(F)ccc1F ZINC001202658585 1125490551 /nfs/dbraw/zinc/49/05/51/1125490551.db2.gz GRBNCXZYOXFHKV-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccoc1C(=O)[O-] ZINC001589004038 984959908 /nfs/dbraw/zinc/95/99/08/984959908.db2.gz UYTTUPNWRIQZJB-RAXLEYEMSA-N -1 1 285.343 3.513 20 0 CHADMM CN(Cc1cccc2ccoc21)[C@H](C(=O)[O-])c1ccccc1 ZINC001598526917 992731885 /nfs/dbraw/zinc/73/18/85/992731885.db2.gz CSZLOSQCMYCREJ-INIZCTEOSA-N -1 1 295.338 3.691 20 0 CHADMM CC[C@H](C)CN(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443272695 1123381068 /nfs/dbraw/zinc/38/10/68/1123381068.db2.gz GXOTYHKJYGNEGA-JTQLQIEISA-N -1 1 299.798 3.562 20 0 CHADMM CC(C)(C)CCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001144898481 1131719385 /nfs/dbraw/zinc/71/93/85/1131719385.db2.gz RCCQYHTXABPWLY-UHFFFAOYSA-N -1 1 297.826 3.921 20 0 CHADMM COc1ccc(N)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214488309 1134543990 /nfs/dbraw/zinc/54/39/90/1134543990.db2.gz BGKJYTNTHNZUOI-UHFFFAOYSA-N -1 1 282.702 3.519 20 0 CHADMM C[C@H]1CCCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000110325292 1125629022 /nfs/dbraw/zinc/62/90/22/1125629022.db2.gz KBOYTLBIZBXGNV-QWRGUYRKSA-N -1 1 281.783 3.602 20 0 CHADMM Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000110325239 1125629094 /nfs/dbraw/zinc/62/90/94/1125629094.db2.gz KQMQHFFHHJZKPU-NSHDSACASA-N -1 1 289.762 3.845 20 0 CHADMM CCC(F)(F)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000641542701 1129383769 /nfs/dbraw/zinc/38/37/69/1129383769.db2.gz KRUNPPKQCJIFLP-UHFFFAOYSA-N -1 1 274.336 3.505 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769918215 1129929692 /nfs/dbraw/zinc/92/96/92/1129929692.db2.gz OETFDGBVEMCNET-GHMZBOCLSA-N -1 1 281.783 3.696 20 0 CHADMM CCCOc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001136201135 1131237667 /nfs/dbraw/zinc/23/76/67/1131237667.db2.gz 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/nfs/dbraw/zinc/04/24/92/1127042492.db2.gz VXSOOSFFACIDGQ-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM C[C@H](CC1CCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909980814 1127042505 /nfs/dbraw/zinc/04/25/05/1127042505.db2.gz GLUILLBZCQQBKM-SECBINFHSA-N -1 1 283.318 3.825 20 0 CHADMM CC(C)[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668864928 1127079467 /nfs/dbraw/zinc/07/94/67/1127079467.db2.gz NTKZHTPGDRBEDL-OAHLLOKOSA-N -1 1 298.386 3.591 20 0 CHADMM CCOc1cc(C(=O)N(C)C[C@@H](C)CC)cc(Cl)c1[O-] ZINC000273916961 1127102384 /nfs/dbraw/zinc/10/23/84/1127102384.db2.gz DRYVDEUIBFDCOI-JTQLQIEISA-N -1 1 299.798 3.562 20 0 CHADMM Cc1nc(-c2ccc(NC(=O)c3ccccc3[O-])cc2)co1 ZINC000913134928 1127122995 /nfs/dbraw/zinc/12/29/95/1127122995.db2.gz WGSUMDDQBYYSRK-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM CC1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000669189047 1127157633 /nfs/dbraw/zinc/15/76/33/1127157633.db2.gz MWXPPSKJLLZJJF-UHFFFAOYSA-N -1 1 298.386 3.593 20 0 CHADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001299372876 1127169153 /nfs/dbraw/zinc/16/91/53/1127169153.db2.gz GTLBEZTYFIPZHC-OCCSQVGLSA-N -1 1 293.382 3.868 20 0 CHADMM CC1(C)CC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000359587788 1127468829 /nfs/dbraw/zinc/46/88/29/1127468829.db2.gz MOMADOLMUCZPJC-LBPRGKRZSA-N -1 1 299.374 3.547 20 0 CHADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000293627159 1127509190 /nfs/dbraw/zinc/50/91/90/1127509190.db2.gz ZLKYZPFYASHEOT-UHFFFAOYSA-N -1 1 294.738 3.718 20 0 CHADMM C[C@H](c1ccccn1)N(C)Cc1cccc([O-])c1Cl ZINC000293771815 1127519559 /nfs/dbraw/zinc/51/95/59/1127519559.db2.gz ZYWJBKQMCBUDDY-LLVKDONJSA-N -1 1 276.767 3.634 20 0 CHADMM Cc1occc1CN(C)Cc1cccc([O-])c1Cl ZINC000295249278 1127629774 /nfs/dbraw/zinc/62/97/74/1127629774.db2.gz FTJFXEDPTWDSLB-UHFFFAOYSA-N -1 1 265.740 3.579 20 0 CHADMM O=C(CCCC1CCCC1)Nc1c([O-])cccc1F ZINC000608367088 1127862519 /nfs/dbraw/zinc/86/25/19/1127862519.db2.gz TXDVJNBGJUDUAX-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM CC[C@@H](CC(=O)Nc1c([O-])cccc1F)C(C)C ZINC000608366365 1127862974 /nfs/dbraw/zinc/86/29/74/1127862974.db2.gz SWYYJBVBBDTAAA-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM CCc1ccc([C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367475 1127863189 /nfs/dbraw/zinc/86/31/89/1127863189.db2.gz ZZERWYWBNJEPAF-LLVKDONJSA-N -1 1 287.334 3.836 20 0 CHADMM Cc1cnc(F)cc1Nc1cc([O-])c(Cl)cc1F ZINC001212850819 1127901009 /nfs/dbraw/zinc/90/10/09/1127901009.db2.gz LMRHZVXQVAKVJQ-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM Cc1cc(C)c(CC(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000540310800 1127974205 /nfs/dbraw/zinc/97/42/05/1127974205.db2.gz ZOFXWFNRHUVNNM-UHFFFAOYSA-N -1 1 287.334 3.638 20 0 CHADMM [O-]c1cc(-c2nnc(CC3CCCCC3)o2)ccc1F ZINC001257072733 1128055797 /nfs/dbraw/zinc/05/57/97/1128055797.db2.gz KTCXKYSNBQWUJQ-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM CC[C@@H](NCc1cccc([O-])c1Cl)c1nccs1 ZINC000328424701 1128431547 /nfs/dbraw/zinc/43/15/47/1128431547.db2.gz ZTFNLJIKSAFPQX-SNVBAGLBSA-N -1 1 282.796 3.743 20 0 CHADMM Cn1c2cccc(F)c2nc1-c1ccc([O-])c(Cl)c1 ZINC000037443207 1128432118 /nfs/dbraw/zinc/43/21/18/1128432118.db2.gz OYIXQMGUQGZMKM-UHFFFAOYSA-N -1 1 276.698 3.738 20 0 CHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000088302027 1128436043 /nfs/dbraw/zinc/43/60/43/1128436043.db2.gz MZTZIYOKKOXHPH-ZJUUUORDSA-N -1 1 269.772 3.600 20 0 CHADMM CCCCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000917113969 1128483866 /nfs/dbraw/zinc/48/38/66/1128483866.db2.gz QJQSFRRZVSUQMF-UHFFFAOYSA-N -1 1 287.363 3.691 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000564055412 1128491581 /nfs/dbraw/zinc/49/15/81/1128491581.db2.gz JXJUZHURVYKHLC-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CCc1cc(=O)[n-]c(SCC(C)(C)CC(F)F)n1 ZINC000917513733 1128502654 /nfs/dbraw/zinc/50/26/54/1128502654.db2.gz ZYLLZNGWFNIXBT-UHFFFAOYSA-N -1 1 276.352 3.518 20 0 CHADMM CC(F)(F)CCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000917746835 1128518273 /nfs/dbraw/zinc/51/82/73/1128518273.db2.gz QBIHHRPKFFKWCH-UHFFFAOYSA-N -1 1 284.278 3.647 20 0 CHADMM CCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(Cl)c1 ZINC000565105391 1128519900 /nfs/dbraw/zinc/51/99/00/1128519900.db2.gz YDOWHHRFXUEYLE-UHFFFAOYSA-N -1 1 293.750 3.653 20 0 CHADMM O=C(NCCC1=CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670419617 1128524858 /nfs/dbraw/zinc/52/48/58/1128524858.db2.gz IGPIEZSWFYQVJH-UHFFFAOYSA-N -1 1 299.292 3.641 20 0 CHADMM CC1=C(C)C[C@H](C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000566284744 1128541052 /nfs/dbraw/zinc/54/10/52/1128541052.db2.gz XPOVRVURACHBGY-LLVKDONJSA-N -1 1 263.312 3.606 20 0 CHADMM CC(C)c1cccc(N(C)C(=O)c2ccccc2[O-])c1 ZINC000129749034 1128555583 /nfs/dbraw/zinc/55/55/83/1128555583.db2.gz MJKGVWSEANDEMW-UHFFFAOYSA-N -1 1 269.344 3.792 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(c1)CCC=C2 ZINC000568127163 1128579086 /nfs/dbraw/zinc/57/90/86/1128579086.db2.gz ZRCAJCGJIITEFG-UHFFFAOYSA-N -1 1 283.302 3.743 20 0 CHADMM CCc1nc(SCCCCC(F)(F)F)[n-]c(=O)c1C ZINC000568416095 1128584562 /nfs/dbraw/zinc/58/45/62/1128584562.db2.gz MPXZKDQDFKRMLN-UHFFFAOYSA-N -1 1 294.342 3.878 20 0 CHADMM Cc1ccncc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000071414419 1128589562 /nfs/dbraw/zinc/58/95/62/1128589562.db2.gz LAJUXQCZNIKQBI-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM C/C(=C/c1ccc(C)cc1)C(=O)Nc1c([O-])cccc1F ZINC000778942544 1128670554 /nfs/dbraw/zinc/67/05/54/1128670554.db2.gz JJJHRUYTDUDTBG-BENRWUELSA-N -1 1 285.318 3.882 20 0 CHADMM COc1ccc(Cl)cc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000048578849 1128718064 /nfs/dbraw/zinc/71/80/64/1128718064.db2.gz LVQBAYQTJFSDTQ-XBXARRHUSA-N -1 1 288.730 3.950 20 0 CHADMM COc1c(C)cc(C=C2SC(=S)[N-]C2=O)cc1C ZINC000048984756 1128738402 /nfs/dbraw/zinc/73/84/02/1128738402.db2.gz BWSOIPRYVJQONW-POHAHGRESA-N -1 1 279.386 3.641 20 0 CHADMM CC(C)CCCCC(=O)Nc1c([O-])cccc1F ZINC000655032657 1117850261 /nfs/dbraw/zinc/85/02/61/1117850261.db2.gz XDGVYISMPCLSFN-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM Cc1oc([C@H](C)N2CCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240116 1128741768 /nfs/dbraw/zinc/74/17/68/1128741768.db2.gz BFHBVXLPMSWABF-GXFFZTMASA-N -1 1 289.331 3.777 20 0 CHADMM CC(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179640438 1117908401 /nfs/dbraw/zinc/90/84/01/1117908401.db2.gz RWNPZPZOSNQJLB-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM C[C@@H](CCC1CC1)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625836013 1118030074 /nfs/dbraw/zinc/03/00/74/1118030074.db2.gz GHLXPHZJQFZZND-NSHDSACASA-N -1 1 299.370 3.560 20 0 CHADMM CCc1ccccc1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000683598049 1118212676 /nfs/dbraw/zinc/21/26/76/1118212676.db2.gz GFNDCJGRNYVGBM-UHFFFAOYSA-N -1 1 298.317 3.735 20 0 CHADMM CCc1ccccc1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000683598205 1118212804 /nfs/dbraw/zinc/21/28/04/1118212804.db2.gz IVRRFCZVPDVAQB-UHFFFAOYSA-N -1 1 298.317 3.735 20 0 CHADMM O=C(Nc1cccc(OC2CCCC2)c1)c1ccccc1[O-] ZINC000031205868 1118220711 /nfs/dbraw/zinc/22/07/11/1118220711.db2.gz NEVLFEXVFRDDFT-UHFFFAOYSA-N -1 1 297.354 3.966 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(Cc1cccs1)C1CC1 ZINC000051361586 1118220771 /nfs/dbraw/zinc/22/07/71/1118220771.db2.gz RIZQGQBKEKMYNF-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM O=C(Cc1ccc2ccccc2c1)Nc1cccc(F)c1[O-] ZINC001648847484 1118253924 /nfs/dbraw/zinc/25/39/24/1118253924.db2.gz PVEYXVMIEYVBAP-UHFFFAOYSA-N -1 1 295.313 3.866 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])/C(F)=C\C1CCCCC1 ZINC001648850060 1118254308 /nfs/dbraw/zinc/25/43/08/1118254308.db2.gz BSZAVPZONJDVTO-FMIVXFBMSA-N -1 1 281.302 3.904 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(C2CC2)c1 ZINC001648850341 1118255033 /nfs/dbraw/zinc/25/50/33/1118255033.db2.gz HHKRJWVBYQPOSM-UHFFFAOYSA-N -1 1 271.291 3.661 20 0 CHADMM Cc1ccc(C[C@@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001648850342 1118255280 /nfs/dbraw/zinc/25/52/80/1118255280.db2.gz HHNQOAOOWIXJML-GFCCVEGCSA-N -1 1 287.334 3.657 20 0 CHADMM [O-]c1cc(Nc2ccc(CO)c(F)c2)c(F)cc1Cl ZINC001210485977 1118296950 /nfs/dbraw/zinc/29/69/50/1118296950.db2.gz YQAUUMGGGMRULB-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM O=C(/C=C/c1ccc2ncccc2c1)c1ccc([O-])cc1 ZINC000068301163 1128770515 /nfs/dbraw/zinc/77/05/15/1128770515.db2.gz UHXDATHMPOVADT-ONNFQVAWSA-N -1 1 275.307 3.837 20 0 CHADMM Nc1ccc2nn(-c3cccc([O-])c3Cl)c(Cl)c2c1 ZINC001210855477 1118410387 /nfs/dbraw/zinc/41/03/87/1118410387.db2.gz PUWDHMJCPZFQIP-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM Oc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1Cl ZINC000656271423 1118492635 /nfs/dbraw/zinc/49/26/35/1118492635.db2.gz NIJWPTIQMSNKQX-CQSZACIVSA-N -1 1 295.810 3.579 20 0 CHADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H]1c1ccccc1 ZINC000123194706 1118508534 /nfs/dbraw/zinc/50/85/34/1118508534.db2.gz HAIJASKQOFHLDB-OAHLLOKOSA-N -1 1 296.370 3.545 20 0 CHADMM Cc1cc2[n-]c(CC3CC(C)(C)C3)nc(=O)c2s1 ZINC000656490370 1118564901 /nfs/dbraw/zinc/56/49/01/1118564901.db2.gz AYQBWQOZCXWXGW-UHFFFAOYSA-N -1 1 262.378 3.684 20 0 CHADMM CC[C@@H](C)N(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616978013 1128805080 /nfs/dbraw/zinc/80/50/80/1128805080.db2.gz RUGVUPWIHHCARC-SECBINFHSA-N -1 1 289.297 3.672 20 0 CHADMM CCc1nc(SCc2c(C)cccc2C)[n-]c(=O)c1C ZINC000657264954 1118944966 /nfs/dbraw/zinc/94/49/66/1118944966.db2.gz TWWRYJTUIZBUAX-UHFFFAOYSA-N -1 1 288.416 3.962 20 0 CHADMM C[C@@H]1[C@H](C(=O)Nc2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000684749706 1119008780 /nfs/dbraw/zinc/00/87/80/1119008780.db2.gz CUVTWVMZOOMCNJ-VQISRLSMSA-N -1 1 285.318 3.520 20 0 CHADMM C[C@@H]1[C@@H](C(=O)Nc2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000684749703 1119008868 /nfs/dbraw/zinc/00/88/68/1119008868.db2.gz CUVTWVMZOOMCNJ-NZVBXONLSA-N -1 1 285.318 3.520 20 0 CHADMM CCc1cc(NC(=O)c2ccccc2[O-])ccc1C ZINC000311371763 1119286964 /nfs/dbraw/zinc/28/69/64/1119286964.db2.gz GJKFIWKVENCGQY-UHFFFAOYSA-N -1 1 255.317 3.515 20 0 CHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc(F)cc1[O-] ZINC000613025406 1119851054 /nfs/dbraw/zinc/85/10/54/1119851054.db2.gz BLJSHFWCNATHNX-TZMCWYRMSA-N -1 1 299.292 3.685 20 0 CHADMM CCC[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613488139 1119940128 /nfs/dbraw/zinc/94/01/28/1119940128.db2.gz NIWGGFGNHZJTMC-CQSZACIVSA-N -1 1 298.386 3.735 20 0 CHADMM CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC000666037897 1120075246 /nfs/dbraw/zinc/07/52/46/1120075246.db2.gz BBXRZCUWZWNOMR-UHFFFAOYSA-N -1 1 298.386 3.735 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1CCc2ccccc2CC1 ZINC000628960649 1128888574 /nfs/dbraw/zinc/88/85/74/1128888574.db2.gz UANBRRHCFMBLEB-UHFFFAOYSA-N -1 1 299.345 3.665 20 0 CHADMM C[C@H]1CCCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000183203247 1120130611 /nfs/dbraw/zinc/13/06/11/1120130611.db2.gz MVINBEQUCZGEBN-ZDUSSCGKSA-N -1 1 281.355 3.936 20 0 CHADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1Cl ZINC001625894237 1120243359 /nfs/dbraw/zinc/24/33/59/1120243359.db2.gz TWTFADLCGHCRMA-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM Cc1cnc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)s1 ZINC000416414488 1120330994 /nfs/dbraw/zinc/33/09/94/1120330994.db2.gz RMZHQYYTPNMETK-UHFFFAOYSA-N -1 1 291.401 3.952 20 0 CHADMM CC(C)(CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000682021165 1120406241 /nfs/dbraw/zinc/40/62/41/1120406241.db2.gz HGBARHMYUGGDIX-UHFFFAOYSA-N -1 1 295.688 3.506 20 0 CHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000019839475 1120471779 /nfs/dbraw/zinc/47/17/79/1120471779.db2.gz YRSGFTKVDJSZIJ-UHFFFAOYSA-N -1 1 281.783 3.840 20 0 CHADMM CC(C)N(Cc1ccco1)C(=O)c1cc(Cl)ccc1[O-] ZINC001625898958 1120523475 /nfs/dbraw/zinc/52/34/75/1120523475.db2.gz YPOZFXAORFWNMG-UHFFFAOYSA-N -1 1 293.750 3.689 20 0 CHADMM CN(C)c1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000191383106 1128923298 /nfs/dbraw/zinc/92/32/98/1128923298.db2.gz BYBGAYVHHAQDDL-UHFFFAOYSA-N -1 1 294.757 3.863 20 0 CHADMM CCC1(CC)CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000618667895 1128929403 /nfs/dbraw/zinc/92/94/03/1128929403.db2.gz GTLYQCMDFDQGLV-UHFFFAOYSA-N -1 1 279.355 3.574 20 0 CHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048652028 1120835783 /nfs/dbraw/zinc/83/57/83/1120835783.db2.gz OCCVZIKDSMDODA-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM C[C@H]1CCC(C)(C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000662046121 1120864583 /nfs/dbraw/zinc/86/45/83/1120864583.db2.gz BUHVUMZAFMBGRJ-LBPRGKRZSA-N -1 1 283.371 3.949 20 0 CHADMM CC(C)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000111666439 1121010947 /nfs/dbraw/zinc/01/09/47/1121010947.db2.gz BGTQCQMPGZCHGR-UHFFFAOYSA-N -1 1 296.779 3.878 20 0 CHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000630454491 1128958475 /nfs/dbraw/zinc/95/84/75/1128958475.db2.gz ROWLVHNOCPFJJF-ZDUSSCGKSA-N -1 1 293.363 3.501 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C2CC2)c1 ZINC000709695474 1121068851 /nfs/dbraw/zinc/06/88/51/1121068851.db2.gz RTBYDEULPQESSA-UHFFFAOYSA-N -1 1 287.384 3.673 20 0 CHADMM CC(C)(C)c1nnc([N-]c2cccc3ncccc23)o1 ZINC001174905344 1121086421 /nfs/dbraw/zinc/08/64/21/1121086421.db2.gz QANAAGAPQSGEGI-UHFFFAOYSA-N -1 1 268.320 3.659 20 0 CHADMM COc1cc(F)c(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001174927505 1121099959 /nfs/dbraw/zinc/09/99/59/1121099959.db2.gz NCBPTIKVWDHFFS-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CN(C)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174963423 1121115298 /nfs/dbraw/zinc/11/52/98/1121115298.db2.gz VCJBKHBBQDAMSR-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM COc1cccc(F)c1Nc1c([O-])cc(F)cc1F ZINC001174993658 1121122486 /nfs/dbraw/zinc/12/24/86/1121122486.db2.gz AHBZYFSBPJXWJJ-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CCOc1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001175002931 1121127647 /nfs/dbraw/zinc/12/76/47/1121127647.db2.gz VMIIVNVENDUFHO-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CCOc1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001175005510 1121129310 /nfs/dbraw/zinc/12/93/10/1121129310.db2.gz MQUVDLIBCVNFAQ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COc1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001175009122 1121131499 /nfs/dbraw/zinc/13/14/99/1121131499.db2.gz LCWJWAYMDBKENY-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001175067114 1121147176 /nfs/dbraw/zinc/14/71/76/1121147176.db2.gz CKAYJUWWBKTHJX-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM CCOc1ccc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001175068895 1121148696 /nfs/dbraw/zinc/14/86/96/1121148696.db2.gz NOIOLEUBLHLKIX-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCCCc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175032068 1121151938 /nfs/dbraw/zinc/15/19/38/1121151938.db2.gz VNVGBSGNOWLVDT-UHFFFAOYSA-N -1 1 281.359 3.656 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)ccc(F)c2F)cc1F ZINC001175032845 1121152774 /nfs/dbraw/zinc/15/27/74/1121152774.db2.gz UPYXAVRRXXZQJA-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC(C)c1noc([N-][C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000172581583 1121156251 /nfs/dbraw/zinc/15/62/51/1121156251.db2.gz KAGDMPQSHPYFCK-UONOGXRCSA-N -1 1 287.363 3.525 20 0 CHADMM O=C1CCCc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175100592 1121164913 /nfs/dbraw/zinc/16/49/13/1121164913.db2.gz XGJGVKQGKHKNLQ-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM CCOc1ccc(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001175081677 1121176619 /nfs/dbraw/zinc/17/66/19/1121176619.db2.gz SJTVMPQUQGKASZ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001175093213 1121181784 /nfs/dbraw/zinc/18/17/84/1121181784.db2.gz LFOOLJFBIRVPJT-UHFFFAOYSA-N -1 1 265.259 3.813 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)cc(F)cc2F)cc1F ZINC001175146441 1121202526 /nfs/dbraw/zinc/20/25/26/1121202526.db2.gz RJJQSVBJASBWFK-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]Oc1ccccc1 ZINC000773473662 1121222517 /nfs/dbraw/zinc/22/25/17/1121222517.db2.gz PSWHJBMYRGZJGU-ZDUSSCGKSA-N -1 1 287.334 3.505 20 0 CHADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436704103 1121240012 /nfs/dbraw/zinc/24/00/12/1121240012.db2.gz KWNHCMVFJOJRTR-MLGOLLRUSA-N -1 1 299.345 3.755 20 0 CHADMM CCc1cccc(NC(=O)c2ccc([O-])cc2F)c1CC ZINC000436742127 1121243202 /nfs/dbraw/zinc/24/32/02/1121243202.db2.gz WXEBMJYGYZTYNB-UHFFFAOYSA-N -1 1 287.334 3.908 20 0 CHADMM Cc1cc(Nc2c([O-])cc(F)cc2F)ccc1F ZINC001175251631 1121248455 /nfs/dbraw/zinc/24/84/55/1121248455.db2.gz XNJLBXWHJQTGGQ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM CCOc1ccc(F)c(F)c1[N-]c1nnc(CC)s1 ZINC001175281979 1121252251 /nfs/dbraw/zinc/25/22/51/1121252251.db2.gz VWMXDWXWTMLWCX-UHFFFAOYSA-N -1 1 285.319 3.521 20 0 CHADMM CCOc1cc(F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001175290131 1121257405 /nfs/dbraw/zinc/25/74/05/1121257405.db2.gz OOCNADUWFNRWJU-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1cc(Nc2cc(F)c([O-])cc2F)ccc1OC ZINC001212543422 1121274102 /nfs/dbraw/zinc/27/41/02/1121274102.db2.gz MOFFOCWVGGMKDA-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(F)c1 ZINC001175326111 1121284751 /nfs/dbraw/zinc/28/47/51/1121284751.db2.gz FSQZADXEKMENKB-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc3ncccc3c2)cc1F ZINC001175378969 1121306221 /nfs/dbraw/zinc/30/62/21/1121306221.db2.gz KZDATMNHCDBJOK-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnc2n[nH]cc2c1 ZINC001175403959 1121316617 /nfs/dbraw/zinc/31/66/17/1121316617.db2.gz QBZLSKAGRISNEK-UHFFFAOYSA-N -1 1 295.129 3.714 20 0 CHADMM Cc1nc(S[C@H](C)C(C)C)[n-]c(=O)c1C1CC1 ZINC000631023219 1128979407 /nfs/dbraw/zinc/97/94/07/1128979407.db2.gz MKEQFGRBNVWILY-SECBINFHSA-N -1 1 252.383 3.505 20 0 CHADMM [O-]c1cc(Nc2cccc3c[nH]nc32)c(F)cc1Cl ZINC001175639514 1121403924 /nfs/dbraw/zinc/40/39/24/1121403924.db2.gz MQPBPPBWXPYOAG-UHFFFAOYSA-N -1 1 277.686 3.805 20 0 CHADMM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1c([O-])cccc1F ZINC000676211821 1121415071 /nfs/dbraw/zinc/41/50/71/1121415071.db2.gz GJKAXVVOUGVEKW-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM Cn1ccc2c1cccc2Nc1cc(F)c([O-])cc1F ZINC001175867329 1121485221 /nfs/dbraw/zinc/48/52/21/1121485221.db2.gz GWTQNLGOTMVLKP-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM Fc1cccc(-c2cc([N-]c3cscn3)on2)c1 ZINC001175941319 1121490767 /nfs/dbraw/zinc/49/07/67/1121490767.db2.gz SIKASEVIVSCLHF-UHFFFAOYSA-N -1 1 261.281 3.681 20 0 CHADMM CSc1ccncc1NCc1cccc([O-])c1Cl ZINC000645166860 1121598725 /nfs/dbraw/zinc/59/87/25/1121598725.db2.gz CJXCRLKGDCDSGK-UHFFFAOYSA-N -1 1 280.780 3.775 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)cc(F)c(F)c2F)cc1F ZINC001176351141 1121612340 /nfs/dbraw/zinc/61/23/40/1121612340.db2.gz MIGUYAIVTPOYLI-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(O)cc(Cl)c1 ZINC001176623799 1121662882 /nfs/dbraw/zinc/66/28/82/1121662882.db2.gz GPDNIWQSFGILJN-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(Cl)c2F)c1F ZINC001176663819 1121671032 /nfs/dbraw/zinc/67/10/32/1121671032.db2.gz JCPWMYILFZJRHM-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM CCc1ccc(N)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673536 1121672591 /nfs/dbraw/zinc/67/25/91/1121672591.db2.gz VLDNFSODDYPXEQ-UHFFFAOYSA-N -1 1 282.265 3.698 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)cc(F)c2F)c1F ZINC001176672850 1121673245 /nfs/dbraw/zinc/67/32/45/1121673245.db2.gz LNYUZEJSCBRWGA-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM Clc1ccc([N-]c2nonc2C2CC2)c(Cl)c1 ZINC001176652362 1121675935 /nfs/dbraw/zinc/67/59/35/1121675935.db2.gz RMOSBMXVYCHEJS-UHFFFAOYSA-N -1 1 270.119 3.997 20 0 CHADMM CC(C)CC(CC(C)C)C(=O)[N-]Oc1ccccc1F ZINC001177109230 1121713999 /nfs/dbraw/zinc/71/39/99/1121713999.db2.gz AUKACYCMXLNXKM-UHFFFAOYSA-N -1 1 281.371 3.944 20 0 CHADMM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)CC1(F)F ZINC000513232142 1121794443 /nfs/dbraw/zinc/79/44/43/1121794443.db2.gz LZVJTWLMCZXYQB-SECBINFHSA-N -1 1 275.726 3.523 20 0 CHADMM CCCC[N@@H+](Cc1cccc(O)c1Br)C1CC1 ZINC001180030520 1121938585 /nfs/dbraw/zinc/93/85/85/1121938585.db2.gz NYYWTVRLEJNLFK-UHFFFAOYSA-N -1 1 298.224 3.919 20 0 CHADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000822698868 1121968447 /nfs/dbraw/zinc/96/84/47/1121968447.db2.gz DJWOMNBVZYLNSV-ZBEGNZNMSA-N -1 1 299.370 3.512 20 0 CHADMM CC(C)[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]1C(C)C ZINC001181752731 1122074230 /nfs/dbraw/zinc/07/42/30/1122074230.db2.gz JUCOJSISBMXSHN-WBMJQRKESA-N -1 1 283.362 3.783 20 0 CHADMM CSc1cnc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001250139871 1122251311 /nfs/dbraw/zinc/25/13/11/1122251311.db2.gz FKYVSCYLBIJMJU-UHFFFAOYSA-N -1 1 286.278 3.670 20 0 CHADMM C[C@@H](NC(=O)Nc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001185021925 1122307396 /nfs/dbraw/zinc/30/73/96/1122307396.db2.gz NJLVHPQPBJDYJJ-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM C[C@@H](NC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001185023772 1122308231 /nfs/dbraw/zinc/30/82/31/1122308231.db2.gz TVRRISFEUMEAGW-SNVBAGLBSA-N -1 1 290.750 3.928 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001185027005 1122310682 /nfs/dbraw/zinc/31/06/82/1122310682.db2.gz LDJAUPFYMUNBFU-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001185263084 1122330760 /nfs/dbraw/zinc/33/07/60/1122330760.db2.gz UCYQDOXDQCYBLB-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Brc1ccc2nc([N-]c3cnoc3)sc2c1 ZINC001203231688 1122336812 /nfs/dbraw/zinc/33/68/12/1122336812.db2.gz KSIVQDSQSZNNNU-UHFFFAOYSA-N -1 1 296.149 3.790 20 0 CHADMM C[C@H](C(=O)[N-]OC1CCCC1)c1ccc2ccccc2c1 ZINC000774874224 1122339774 /nfs/dbraw/zinc/33/97/74/1122339774.db2.gz BMVGTYZBLQIVEM-ZDUSSCGKSA-N -1 1 283.371 3.934 20 0 CHADMM [O-]c1ccc(Cc2ccc(F)c(F)c2F)c(F)c1F ZINC001250220410 1122367227 /nfs/dbraw/zinc/36/72/27/1122367227.db2.gz OIXSKILOWSKRMI-UHFFFAOYSA-N -1 1 274.188 3.679 20 0 CHADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCCCC1 ZINC001186071117 1122373470 /nfs/dbraw/zinc/37/34/70/1122373470.db2.gz VPEUXDLFQOGEQP-SECBINFHSA-N -1 1 269.776 3.606 20 0 CHADMM Nc1cc(Cl)cnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228890 1122374607 /nfs/dbraw/zinc/37/46/07/1122374607.db2.gz PKVNQOJRZKBHEZ-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM [O-]c1ccc(F)c(Nc2cccn3ccnc23)c1Cl ZINC001250229048 1122375048 /nfs/dbraw/zinc/37/50/48/1122375048.db2.gz SZFIMDIAJFFFQM-UHFFFAOYSA-N -1 1 277.686 3.576 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC001186234603 1122380274 /nfs/dbraw/zinc/38/02/74/1122380274.db2.gz VXIBXCMWGBIMCD-BONVTDFDSA-N -1 1 285.318 3.510 20 0 CHADMM O=C(Nc1cc2ccccc2s1)c1ccc([O-])c(F)c1 ZINC001186209573 1122380707 /nfs/dbraw/zinc/38/07/07/1122380707.db2.gz YGSWFHGYIPBMMY-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC001186337609 1122387365 /nfs/dbraw/zinc/38/73/65/1122387365.db2.gz NLYRHZAHTOBCKF-QLJPJBMISA-N -1 1 285.318 3.510 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001187635824 1122435210 /nfs/dbraw/zinc/43/52/10/1122435210.db2.gz HKZDMDGWFGYFOJ-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM Cc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1F ZINC001187986039 1122449196 /nfs/dbraw/zinc/44/91/96/1122449196.db2.gz SCFMGDCOCVKRGM-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CC(C)(Cc1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000436523030 1122557490 /nfs/dbraw/zinc/55/74/90/1122557490.db2.gz YPXIRGYSBLYVCT-UHFFFAOYSA-N -1 1 276.311 3.560 20 0 CHADMM CN(Cc1cc([O-])c(Cl)c(F)c1F)C1CCCC1 ZINC001250408408 1122561127 /nfs/dbraw/zinc/56/11/27/1122561127.db2.gz GPOMERROHAJMLI-UHFFFAOYSA-N -1 1 275.726 3.698 20 0 CHADMM CCC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436583525 1122564432 /nfs/dbraw/zinc/56/44/32/1122564432.db2.gz HKMPLADERLZTIB-LLVKDONJSA-N -1 1 281.783 3.698 20 0 CHADMM C[C@@]1(NC(=O)c2ccc([O-])cc2F)CCCc2ccccc21 ZINC000436613367 1122565373 /nfs/dbraw/zinc/56/53/73/1122565373.db2.gz QHYGJFPYASUZCG-GOSISDBHSA-N -1 1 299.345 3.513 20 0 CHADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC12CCC2 ZINC000436714417 1122574810 /nfs/dbraw/zinc/57/48/10/1122574810.db2.gz FVDXSEMWPKHQLG-NSHDSACASA-N -1 1 293.794 3.698 20 0 CHADMM CC(C)C1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436824995 1122587018 /nfs/dbraw/zinc/58/70/18/1122587018.db2.gz BRECGVQSUSHTHB-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)NC1CCCCCC1 ZINC001191268348 1122588254 /nfs/dbraw/zinc/58/82/54/1122588254.db2.gz KBAZDODZDKWDSA-UHFFFAOYSA-N -1 1 284.306 3.515 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@@H]3C=CCCC3)n2)c(Cl)c1 ZINC000436870688 1122590016 /nfs/dbraw/zinc/59/00/16/1122590016.db2.gz HYOXMOXXDCQHQS-SNVBAGLBSA-N -1 1 290.750 3.994 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H](F)c3ccccc3)n2)cc1F ZINC000436876920 1122590117 /nfs/dbraw/zinc/59/01/17/1122590117.db2.gz CLYZUTOAVHVBOR-ZDUSSCGKSA-N -1 1 288.253 3.640 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000436877202 1122590358 /nfs/dbraw/zinc/59/03/58/1122590358.db2.gz FDFVVGVBKPPDTM-JTQLQIEISA-N -1 1 284.290 3.733 20 0 CHADMM CC(C)(C)C1CC(NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633206432 1129064983 /nfs/dbraw/zinc/06/49/83/1129064983.db2.gz OYMGNJAKPXZSSM-UHFFFAOYSA-N -1 1 295.810 3.529 20 0 CHADMM CC1(C)CCN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000436940414 1122597809 /nfs/dbraw/zinc/59/78/09/1122597809.db2.gz WVNKMIJBVNDOHC-UHFFFAOYSA-N -1 1 299.345 3.859 20 0 CHADMM Cc1c(CNC(=O)c2c([O-])cccc2F)oc2ccccc12 ZINC000436949019 1122598093 /nfs/dbraw/zinc/59/80/93/1122598093.db2.gz LFXOFWHIWBQYNH-UHFFFAOYSA-N -1 1 299.301 3.516 20 0 CHADMM Cc1cc(O)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000093095957 1122690195 /nfs/dbraw/zinc/69/01/95/1122690195.db2.gz QOCUHQFNJADLOV-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1ccc([O-])cc1F ZINC000620679110 1129072919 /nfs/dbraw/zinc/07/29/19/1129072919.db2.gz PPYNUQAHYJMGLH-QGZVFWFLSA-N -1 1 299.345 3.647 20 0 CHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438814913 1122725245 /nfs/dbraw/zinc/72/52/45/1122725245.db2.gz OPZIDLHTKZIEON-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM COc1cccc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001250553224 1122748119 /nfs/dbraw/zinc/74/81/19/1122748119.db2.gz QDNCHEFFQYHISV-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM CCCCCCOC(=O)Nc1cc(F)c([O-])cc1F ZINC001194187755 1122756675 /nfs/dbraw/zinc/75/66/75/1122756675.db2.gz HJQZQXLBXUQQHP-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM Cc1ccc(OC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001194457713 1122775273 /nfs/dbraw/zinc/77/52/73/1122775273.db2.gz AXAKOZOSVCZSDR-UHFFFAOYSA-N -1 1 279.242 3.590 20 0 CHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001194603574 1122786345 /nfs/dbraw/zinc/78/63/45/1122786345.db2.gz YMACLXKYKUMZOT-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CC[C@@H](C)OC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001195116327 1122844163 /nfs/dbraw/zinc/84/41/63/1122844163.db2.gz NIQCRYDDOXHPCT-ZCFIWIBFSA-N -1 1 261.680 3.532 20 0 CHADMM CC(C)(C)CC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426743231 1122912670 /nfs/dbraw/zinc/91/26/70/1122912670.db2.gz NJEUCFYXGYTDJT-CQSZACIVSA-N -1 1 289.375 3.802 20 0 CHADMM CCCC[C@](C)(F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664850556 1122914226 /nfs/dbraw/zinc/91/42/26/1122914226.db2.gz UKVBWMPIKKGYHH-AWEZNQCLSA-N -1 1 282.290 3.956 20 0 CHADMM CCc1ccc([C@H](NCc2ccc(C)s2)C(=O)[O-])cc1 ZINC000426822392 1122918453 /nfs/dbraw/zinc/91/84/53/1122918453.db2.gz BTHSFLZDEWQAJV-HNNXBMFYSA-N -1 1 289.400 3.534 20 0 CHADMM CCC[C@H](C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426822904 1122918478 /nfs/dbraw/zinc/91/84/78/1122918478.db2.gz GOZKZYHKNBMUDK-WFASDCNBSA-N -1 1 289.375 3.802 20 0 CHADMM [O-]c1c(F)cc(NC(=S)Nc2cccc(F)c2)cc1F ZINC001197641661 1122963028 /nfs/dbraw/zinc/96/30/28/1122963028.db2.gz WYYCORKNECFILO-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1cccc(NC(=S)Nc2cc(F)cc(F)c2[O-])c1 ZINC001198696064 1123004462 /nfs/dbraw/zinc/00/44/62/1123004462.db2.gz FTNLNSGLDVHSTM-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cccc(NC(=S)Nc2cc([O-])c(F)cc2F)c1 ZINC001198687535 1123006929 /nfs/dbraw/zinc/00/69/29/1123006929.db2.gz CFLFWOJVUOSKCD-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM CCCCCCNC(=S)Nc1cc(F)c([O-])cc1F ZINC001200956776 1123068507 /nfs/dbraw/zinc/06/85/07/1123068507.db2.gz IKKCJIZHRGKSDO-UHFFFAOYSA-N -1 1 288.363 3.537 20 0 CHADMM COc1nc(C(C)C)ccc1[N-]c1noc(C(C)(C)C)n1 ZINC001201431617 1123101020 /nfs/dbraw/zinc/10/10/20/1123101020.db2.gz NJJLCKMORDSEQB-UHFFFAOYSA-N -1 1 290.367 3.638 20 0 CHADMM O=C(Nc1ccccc1)Nc1cc([O-])c(Cl)cc1F ZINC001201954644 1123162228 /nfs/dbraw/zinc/16/22/28/1123162228.db2.gz CHQXNHVSSFVOKA-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1ccccc1)Nc1cccc([O-])c1Cl ZINC001201955922 1123163059 /nfs/dbraw/zinc/16/30/59/1123163059.db2.gz VPSHNKYURBDQSR-UHFFFAOYSA-N -1 1 262.696 3.690 20 0 CHADMM CC1=C(C)C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000335552044 1123379241 /nfs/dbraw/zinc/37/92/41/1123379241.db2.gz DYZNNQDXQIYGQP-SNVBAGLBSA-N -1 1 281.302 3.745 20 0 CHADMM CCc1[n-]n(-c2cccc3ncccc32)c(=O)c1C(C)C ZINC000634591283 1129119013 /nfs/dbraw/zinc/11/90/13/1129119013.db2.gz XWDVWHCFGVLKBI-INIZCTEOSA-N -1 1 281.359 3.620 20 0 CHADMM CCCc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CC ZINC000634618292 1129121449 /nfs/dbraw/zinc/12/14/49/1129121449.db2.gz MESZDQCYLXFRRF-JTQLQIEISA-N -1 1 299.296 3.629 20 0 CHADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCCCC2 ZINC000634618380 1129121493 /nfs/dbraw/zinc/12/14/93/1129121493.db2.gz PDZCDZNKRUXKDV-OAHLLOKOSA-N -1 1 293.370 3.513 20 0 CHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCCCCC1 ZINC000895462896 1123483031 /nfs/dbraw/zinc/48/30/31/1123483031.db2.gz XNTPPOVOKCIJHK-UHFFFAOYSA-N -1 1 299.370 3.657 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CC2(CCC2)C1 ZINC000885680488 1123486416 /nfs/dbraw/zinc/48/64/16/1123486416.db2.gz RQFSDHGMFQEOPH-UHFFFAOYSA-N -1 1 283.730 3.704 20 0 CHADMM C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895955695 1123535118 /nfs/dbraw/zinc/53/51/18/1123535118.db2.gz GHZCKHDLBMLPMC-LBPRGKRZSA-N -1 1 299.370 3.513 20 0 CHADMM CCCCC1CCC(Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858363607 1123647936 /nfs/dbraw/zinc/64/79/36/1123647936.db2.gz LJXKIHQQXIZNAK-UHFFFAOYSA-N -1 1 283.803 3.997 20 0 CHADMM CCCC[C@H](CCC)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858441909 1123654853 /nfs/dbraw/zinc/65/48/53/1123654853.db2.gz XDWIFPLRMKYDKD-JTQLQIEISA-N -1 1 271.792 3.854 20 0 CHADMM O=c1nc(N2CCC[C@H]2CCC2CCCC2)cc(Cl)[n-]1 ZINC000858450931 1123655434 /nfs/dbraw/zinc/65/54/34/1123655434.db2.gz OXFCLNVONDKITD-LBPRGKRZSA-N -1 1 295.814 3.775 20 0 CHADMM CC(C)[C@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858485886 1123657902 /nfs/dbraw/zinc/65/79/02/1123657902.db2.gz IIKLMUNIZRXUTH-WDEREUQCSA-N -1 1 283.803 3.852 20 0 CHADMM C[C@H]1CC[C@@](C)(CNc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858622885 1123667113 /nfs/dbraw/zinc/66/71/13/1123667113.db2.gz BUEQLPXNVDWPKR-XPTSAGLGSA-N -1 1 283.803 3.710 20 0 CHADMM CCCCC[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858634646 1123668559 /nfs/dbraw/zinc/66/85/59/1123668559.db2.gz HKKZCYJECVMRAH-LLVKDONJSA-N -1 1 283.803 3.775 20 0 CHADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000281124911 1123681213 /nfs/dbraw/zinc/68/12/13/1123681213.db2.gz IJBURIUCRXGKGH-PWSUYJOCSA-N -1 1 297.782 3.579 20 0 CHADMM Cc1sc(C)c2c1[n-]c(CCC(F)(F)F)nc2=O ZINC000864354252 1123924727 /nfs/dbraw/zinc/92/47/27/1123924727.db2.gz CSHYFCXNAGGLQU-UHFFFAOYSA-N -1 1 276.283 3.509 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665677168 1123927333 /nfs/dbraw/zinc/92/73/33/1123927333.db2.gz PYQINRZETHEPFE-MRXNPFEDSA-N -1 1 295.382 3.808 20 0 CHADMM Cc1nc(SC/C(Cl)=C/Cl)[n-]c(=O)c1C1CC1 ZINC000865373471 1123975454 /nfs/dbraw/zinc/97/54/54/1123975454.db2.gz VWVBIZYSUMIICM-YWEYNIOJSA-N -1 1 291.203 3.779 20 0 CHADMM CC(C)CC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445470484 1124084339 /nfs/dbraw/zinc/08/43/39/1124084339.db2.gz DVHVYPLXBBNWDK-UHFFFAOYSA-N -1 1 278.327 3.905 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CC=CCC3)n2)c(Cl)c1 ZINC000445451934 1124084515 /nfs/dbraw/zinc/08/45/15/1124084515.db2.gz MMRJWRMPDDGBCR-VIFPVBQESA-N -1 1 276.723 3.919 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(C4CC4)cn3)n2)c(F)c1 ZINC000445453947 1124084642 /nfs/dbraw/zinc/08/46/42/1124084642.db2.gz DGECNEXKTRUBIT-UHFFFAOYSA-N -1 1 297.289 3.521 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC=CCC3)n2)c(Cl)c1 ZINC000445451933 1124084933 /nfs/dbraw/zinc/08/49/33/1124084933.db2.gz MMRJWRMPDDGBCR-SECBINFHSA-N -1 1 276.723 3.919 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccc(F)c(F)c3)n2)c(F)c1 ZINC000445460513 1124085591 /nfs/dbraw/zinc/08/55/91/1124085591.db2.gz BAMKJKZUVQXLGI-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C ZINC000445477985 1124086382 /nfs/dbraw/zinc/08/63/82/1124086382.db2.gz FLXFHPJDSAPCSJ-QMMMGPOBSA-N -1 1 264.300 3.731 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cc(F)cc(F)c3)n2)cc1F ZINC000445477145 1124086443 /nfs/dbraw/zinc/08/64/43/1124086443.db2.gz LVPGEHXEILVPCR-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CC1(C)CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445478081 1124086472 /nfs/dbraw/zinc/08/64/72/1124086472.db2.gz PUEQQSZEUCAYCG-SNVBAGLBSA-N -1 1 276.311 3.875 20 0 CHADMM CC(C)c1cccc(-n2[n-]c(CC3CC3)cc2=O)c1 ZINC001245952752 1131259736 /nfs/dbraw/zinc/25/97/36/1131259736.db2.gz GNYQDBLHMQNINJ-UHFFFAOYSA-N -1 1 256.349 3.654 20 0 CHADMM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C1CC1 ZINC000871946548 1124653964 /nfs/dbraw/zinc/65/39/64/1124653964.db2.gz FEJHTZRLSRWHBA-INIZCTEOSA-N -1 1 264.328 3.589 20 0 CHADMM O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCCCCC2 ZINC000871964212 1124655610 /nfs/dbraw/zinc/65/56/10/1124655610.db2.gz YYKZJMOAUUIYQQ-VXGBXAGGSA-N -1 1 284.350 3.590 20 0 CHADMM CCCCC1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC001136396213 1131310799 /nfs/dbraw/zinc/31/07/99/1131310799.db2.gz NKCFDRKELBFAFZ-UHFFFAOYSA-N -1 1 290.407 3.514 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2cccc(C3CCCC3)c2)S1 ZINC000874929489 1124870984 /nfs/dbraw/zinc/87/09/84/1124870984.db2.gz FCOCQSFEXQTTNX-UKTHLTGXSA-N -1 1 273.357 3.668 20 0 CHADMM C[C@H](CC1CCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530007524 1125109427 /nfs/dbraw/zinc/10/94/27/1125109427.db2.gz WTPCKVFFJDAAIR-SNVBAGLBSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)s1 ZINC000024070247 1125165837 /nfs/dbraw/zinc/16/58/37/1125165837.db2.gz BAZNOIBMSKCFSE-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2[n-]1 ZINC001239477673 1131336332 /nfs/dbraw/zinc/33/63/32/1131336332.db2.gz SRTSXCRZIVUEDF-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2[n-]1 ZINC001239477673 1131336337 /nfs/dbraw/zinc/33/63/37/1131336337.db2.gz SRTSXCRZIVUEDF-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1Cl ZINC000532267455 1125247245 /nfs/dbraw/zinc/24/72/45/1125247245.db2.gz YAPCRLXOWHCJAT-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM O=C(/C=C\c1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000760196702 1125290269 /nfs/dbraw/zinc/29/02/69/1125290269.db2.gz NYUBIRJYRMASTJ-TWGQIWQCSA-N -1 1 291.709 3.837 20 0 CHADMM CCc1noc(C)c1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000866967925 1125353070 /nfs/dbraw/zinc/35/30/70/1125353070.db2.gz JIAKMEPFYMPAGG-UHFFFAOYSA-N -1 1 293.392 3.552 20 0 CHADMM O=c1cccc(Nc2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC001212792254 1125374856 /nfs/dbraw/zinc/37/48/56/1125374856.db2.gz JEQHVTFFMWKTBK-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM CSc1nc(Nc2cccc3nc(C)ccc32)cc(=O)[n-]1 ZINC001212795220 1125417015 /nfs/dbraw/zinc/41/70/15/1125417015.db2.gz VMKUEJAACITNCA-UHFFFAOYSA-N -1 1 298.371 3.504 20 0 CHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(F)cc1[O-] ZINC000532622179 1125428776 /nfs/dbraw/zinc/42/87/76/1125428776.db2.gz ITAAOBGYZSPVIP-LLVKDONJSA-N -1 1 295.354 3.598 20 0 CHADMM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(F)cc1[O-] ZINC000532622158 1125429053 /nfs/dbraw/zinc/42/90/53/1125429053.db2.gz FPTQWKMVAUHTGM-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM Cc1nc2cc(F)ccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693134 1129317825 /nfs/dbraw/zinc/31/78/25/1129317825.db2.gz CSKMVMIYFIITNL-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc2c(F)cccc21 ZINC001240694552 1129318350 /nfs/dbraw/zinc/31/83/50/1129318350.db2.gz XVWUSISLAYPBFF-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CCCC2)CC1 ZINC000738554932 1129394532 /nfs/dbraw/zinc/39/45/32/1129394532.db2.gz PEJSRFVDWQBODR-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM CC(C(=O)Nc1ccc(Br)c([O-])c1)=C1CCC1 ZINC001324438610 1129601617 /nfs/dbraw/zinc/60/16/17/1129601617.db2.gz PYKUJJYPZLGGTG-UHFFFAOYSA-N -1 1 296.164 3.594 20 0 CHADMM CC[C@H]1CCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137550225 1129605388 /nfs/dbraw/zinc/60/53/88/1129605388.db2.gz FMGXOCKUPSGLTH-MEDUHNTESA-N -1 1 299.370 3.560 20 0 CHADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000766783345 1129746512 /nfs/dbraw/zinc/74/65/12/1129746512.db2.gz CBCRCOOMJXYGQH-SNVBAGLBSA-N -1 1 297.276 3.553 20 0 CHADMM C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652389341 1129764232 /nfs/dbraw/zinc/76/42/32/1129764232.db2.gz PPVNXIVIMFXWQI-JTQLQIEISA-N -1 1 293.750 3.824 20 0 CHADMM CC/C(C)=C\C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000828688378 1131396002 /nfs/dbraw/zinc/39/60/02/1131396002.db2.gz UHTDCYDCEPCNCO-FPLPWBNLSA-N -1 1 298.180 3.758 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000767293605 1129784528 /nfs/dbraw/zinc/78/45/28/1129784528.db2.gz NTMVNTFGJLUUCK-UHFFFAOYSA-N -1 1 295.313 3.961 20 0 CHADMM CN(C)c1ccc(F)cc1-c1cccc(Cl)c1[O-] ZINC001242367410 1129799053 /nfs/dbraw/zinc/79/90/53/1129799053.db2.gz LHWFOXVPENHBJM-UHFFFAOYSA-N -1 1 265.715 3.918 20 0 CHADMM C/C(=C/C(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC000768259181 1129849244 /nfs/dbraw/zinc/84/92/44/1129849244.db2.gz QTPXGELDTAKREE-NTMALXAHSA-N -1 1 289.281 3.712 20 0 CHADMM CC1(C)CC[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)OC1 ZINC000901162163 1129910499 /nfs/dbraw/zinc/91/04/99/1129910499.db2.gz FQPWWBOQQUXNDK-LLVKDONJSA-N -1 1 297.782 3.579 20 0 CHADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000769674427 1129920970 /nfs/dbraw/zinc/92/09/70/1129920970.db2.gz NWHFCTGBQJMZOU-GHMZBOCLSA-N -1 1 281.783 3.696 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1C2CCCC1CCC2 ZINC000769918926 1129929508 /nfs/dbraw/zinc/92/95/08/1129929508.db2.gz AZCZEYCSIADMQF-UHFFFAOYSA-N -1 1 279.767 3.593 20 0 CHADMM Cc1cnc(SCc2ccccc2C(C)C)[n-]c1=O ZINC000901570367 1129937646 /nfs/dbraw/zinc/93/76/46/1129937646.db2.gz LEPIMZZCQWNDKY-UHFFFAOYSA-N -1 1 274.389 3.906 20 0 CHADMM CCSCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619187 1129939334 /nfs/dbraw/zinc/93/93/34/1129939334.db2.gz MWMVWBQDAGYCSW-UHFFFAOYSA-N -1 1 292.429 3.694 20 0 CHADMM CC[C@](NCc1ccsc1C)(C(=O)[O-])c1ccccc1 ZINC000901648720 1129941229 /nfs/dbraw/zinc/94/12/29/1129941229.db2.gz BOCXDJCKAHTQTG-MRXNPFEDSA-N -1 1 289.400 3.536 20 0 CHADMM CSc1ccc(CN[C@@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000901769481 1129951228 /nfs/dbraw/zinc/95/12/28/1129951228.db2.gz KJHKGTPDNOIZGN-ZDUSSCGKSA-N -1 1 297.420 3.515 20 0 CHADMM O=C(/C=C\C1CCCCC1)Nc1c([O-])cccc1F ZINC000770862122 1129959754 /nfs/dbraw/zinc/95/97/54/1129959754.db2.gz KOEBCUFPZPCCON-KTKRTIGZSA-N -1 1 263.312 3.606 20 0 CHADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnc2ccccc12 ZINC000770864593 1129960713 /nfs/dbraw/zinc/96/07/13/1129960713.db2.gz YWJDMCIDABMGLG-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(C(C)(C)C)s2)[C@H](C(=O)[O-])C1 ZINC000902010874 1129971210 /nfs/dbraw/zinc/97/12/10/1129971210.db2.gz DPWUGEJZTFSGRC-YPMHNXCESA-N -1 1 295.448 3.731 20 0 CHADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)CC12CCC2 ZINC000771339590 1129977527 /nfs/dbraw/zinc/97/75/27/1129977527.db2.gz PBHVBVHRYKBKOA-LLVKDONJSA-N -1 1 293.794 3.698 20 0 CHADMM Cc1oc(CN[C@@H]2c3cc(C)ccc3C[C@H]2C)cc1C(=O)[O-] ZINC000902420861 1130008749 /nfs/dbraw/zinc/00/87/49/1130008749.db2.gz WKIPHIUQGIXYEJ-DIFFPNOSSA-N -1 1 299.370 3.618 20 0 CHADMM CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])o1)CC2 ZINC000902441787 1130011670 /nfs/dbraw/zinc/01/16/70/1130011670.db2.gz MDGNRPDWIIQZCW-INIZCTEOSA-N -1 1 299.370 3.878 20 0 CHADMM COc1ccc(F)c(-c2cccc([O-])c2Cl)c1 ZINC001242799545 1130051524 /nfs/dbraw/zinc/05/15/24/1130051524.db2.gz QRIMNKPGDDLXPE-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000789862720 1130279515 /nfs/dbraw/zinc/27/95/15/1130279515.db2.gz LWTMICTXAVGQFD-OUAUKWLOSA-N -1 1 281.783 3.552 20 0 CHADMM CC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000789930012 1130281632 /nfs/dbraw/zinc/28/16/32/1130281632.db2.gz MSZALMMAELQTSK-NSHDSACASA-N -1 1 290.750 3.573 20 0 CHADMM CSc1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000678058095 1130347740 /nfs/dbraw/zinc/34/77/40/1130347740.db2.gz XQWPEZNCKZOEHG-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM Cc1cc(-c2cccc(C=CC(=O)[O-])c2)cc2nc[nH]c21 ZINC001240548856 1130351624 /nfs/dbraw/zinc/35/16/24/1130351624.db2.gz RSGSPYZSWFPERD-AATRIKPKSA-N -1 1 278.311 3.636 20 0 CHADMM [O-]c1ccc(-c2cc3ccccc3cn2)c(F)c1F ZINC001243339768 1130385296 /nfs/dbraw/zinc/38/52/96/1130385296.db2.gz UFMDKKWAUQYVQA-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)c(C)cc1F ZINC001243342722 1130386824 /nfs/dbraw/zinc/38/68/24/1130386824.db2.gz QXOMEDSUKJVHQX-UHFFFAOYSA-N -1 1 296.244 3.572 20 0 CHADMM COC(OC)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243344090 1130389267 /nfs/dbraw/zinc/38/92/67/1130389267.db2.gz XDYZVPFNOZVKBM-UHFFFAOYSA-N -1 1 280.270 3.629 20 0 CHADMM CC(C)(C)C(=O)Nc1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240693921 1130420835 /nfs/dbraw/zinc/42/08/35/1130420835.db2.gz HMXIUOAHVDUFEC-UHFFFAOYSA-N -1 1 288.322 3.578 20 0 CHADMM CCc1cc(-c2cc(F)ccc2[O-])nc(-c2ccncc2)n1 ZINC001240695774 1130422442 /nfs/dbraw/zinc/42/24/42/1130422442.db2.gz RFNBFQVPSPCTGB-UHFFFAOYSA-N -1 1 295.317 3.613 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc(C(F)(F)F)c1F ZINC001240694886 1130422717 /nfs/dbraw/zinc/42/27/17/1130422717.db2.gz ZNTTVEQYQZLSBR-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc2c(nn1)-c1ccccc1OC2 ZINC001240696539 1130423605 /nfs/dbraw/zinc/42/36/05/1130423605.db2.gz QWECLJBBKUKTPL-UHFFFAOYSA-N -1 1 294.285 3.548 20 0 CHADMM COC(=O)c1nc2cc(-c3ccc(C)c(C)c3)ccc2[n-]1 ZINC001240701224 1130425922 /nfs/dbraw/zinc/42/59/22/1130425922.db2.gz SMJLJXDBRHYXPG-UHFFFAOYSA-N -1 1 280.327 3.633 20 0 CHADMM COC(=O)c1nc2ccc(-c3ccc(C)c(C)c3)cc2[n-]1 ZINC001240701224 1130425928 /nfs/dbraw/zinc/42/59/28/1130425928.db2.gz SMJLJXDBRHYXPG-UHFFFAOYSA-N -1 1 280.327 3.633 20 0 CHADMM [O-]c1ccc(-c2nccc(-c3ccccc3)n2)cc1F ZINC001240782957 1130468970 /nfs/dbraw/zinc/46/89/70/1130468970.db2.gz GWGNPOTVFVOTLO-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(-c2c(F)cccc2OC(F)F)cc1F ZINC001240787016 1130471492 /nfs/dbraw/zinc/47/14/92/1130471492.db2.gz HCCXFJDGRUPKMY-UHFFFAOYSA-N -1 1 272.197 3.939 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780362901 1130678001 /nfs/dbraw/zinc/67/80/01/1130678001.db2.gz JBHBYRWYCCQBEO-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1cccc(F)n1 ZINC000813305877 1130760591 /nfs/dbraw/zinc/76/05/91/1130760591.db2.gz NJGWLXHOYAVZMX-UHFFFAOYSA-N -1 1 294.326 3.724 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3ccccn3)nc(C)n2)c1[O-] ZINC001236389456 1130925833 /nfs/dbraw/zinc/92/58/33/1130925833.db2.gz FRUPQRNNSBNSAO-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM CCOc1ccc2ncnc(-c3c(F)ccc(C)c3[O-])c2c1 ZINC001236393338 1130926430 /nfs/dbraw/zinc/92/64/30/1130926430.db2.gz RXHFIOCNCKSQRZ-UHFFFAOYSA-N -1 1 298.317 3.849 20 0 CHADMM Cc1ccc(F)c(-c2cccc(OC(F)F)n2)c1[O-] ZINC001236394331 1130926600 /nfs/dbraw/zinc/92/66/00/1130926600.db2.gz WNPPAZIZJYHZEV-UHFFFAOYSA-N -1 1 269.222 3.503 20 0 CHADMM Cc1ccc(F)c(-c2cc(C(F)(F)F)ccn2)c1[O-] ZINC001236394272 1130927048 /nfs/dbraw/zinc/92/70/48/1130927048.db2.gz VOEKSNMRUQGMSS-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM C[C@@H]1CCCCN1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990731 1131158432 /nfs/dbraw/zinc/15/84/32/1131158432.db2.gz PYYSLLIUMXOYLC-SECBINFHSA-N -1 1 257.736 3.559 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc([O-])c1F ZINC001136019950 1131183859 /nfs/dbraw/zinc/18/38/59/1131183859.db2.gz SIAMQIAGRHKEQG-FRRDWIJNSA-N -1 1 291.366 3.620 20 0 CHADMM CCn1nc(C)c([N-]c2nc3cccc(C)c3o2)c1C ZINC001117799029 1131201383 /nfs/dbraw/zinc/20/13/83/1131201383.db2.gz MBDHRNQBQHTLLS-UHFFFAOYSA-N -1 1 270.336 3.713 20 0 CHADMM Cc1cn2c(cccc2-c2c(F)ccc([O-])c2Cl)n1 ZINC001245832732 1131201714 /nfs/dbraw/zinc/20/17/14/1131201714.db2.gz OEPSVQNRMBBZCI-UHFFFAOYSA-N -1 1 276.698 3.808 20 0 CHADMM CCN(Cc1ncccc1[O-])Cc1c(F)cccc1Cl ZINC001138396168 1131498613 /nfs/dbraw/zinc/49/86/13/1131498613.db2.gz NZIQHYUQLJDYBT-UHFFFAOYSA-N -1 1 294.757 3.602 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001202844640 1131524842 /nfs/dbraw/zinc/52/48/42/1131524842.db2.gz FCUVJQFPNCCKQP-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001202847974 1131527245 /nfs/dbraw/zinc/52/72/45/1131527245.db2.gz RHQYSYTWNRGWQI-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CCc1cccc(NC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001202886449 1131572127 /nfs/dbraw/zinc/57/21/27/1131572127.db2.gz WHGLCOSZBYASKA-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(F)F ZINC000833204142 1131609821 /nfs/dbraw/zinc/60/98/21/1131609821.db2.gz FNMYASNDQCZOSA-VIFPVBQESA-N -1 1 297.679 3.592 20 0 CHADMM CCc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001202944376 1131613599 /nfs/dbraw/zinc/61/35/99/1131613599.db2.gz UNQOUPQVBUVKEC-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCc1nc(SCC(=O)c2ccc([O-])cc2)sc1C ZINC000845325057 1131625255 /nfs/dbraw/zinc/62/52/55/1131625255.db2.gz CWQMPFCUIMAZDM-UHFFFAOYSA-N -1 1 293.413 3.695 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N1CCCC2(CCCCC2)C1 ZINC001144444202 1131637121 /nfs/dbraw/zinc/63/71/21/1131637121.db2.gz UTLHOWPYXYBMJZ-UHFFFAOYSA-N -1 1 291.366 3.718 20 0 CHADMM [O-]c1cc(F)c(CN2Cc3ccc(Cl)cc3C2)c(F)c1 ZINC001144558943 1131659003 /nfs/dbraw/zinc/65/90/03/1131659003.db2.gz GKWDNWUURKCSBO-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM Cc1ccc(N(CC(C)C)C(=O)c2cncc([O-])c2)c(C)c1 ZINC000846301343 1131706131 /nfs/dbraw/zinc/70/61/31/1131706131.db2.gz WNHSDJIAQDWVQB-UHFFFAOYSA-N -1 1 298.386 3.707 20 0 CHADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCC2(CC2)C1 ZINC000834823454 1131707317 /nfs/dbraw/zinc/70/73/17/1131707317.db2.gz XUHBHRZLXSQRFR-GFCCVEGCSA-N -1 1 293.794 3.632 20 0 CHADMM C/C=C(/C=C\C(=O)NCc1ccc([O-])c(Cl)c1)CC ZINC000834829307 1131708308 /nfs/dbraw/zinc/70/83/08/1131708308.db2.gz SICOQLMAZIUNLB-RMPJALIQSA-N -1 1 279.767 3.574 20 0 CHADMM COc1cccc2[nH]c(-c3ccc(Cl)cc3[O-])nc21 ZINC000721268781 1131725911 /nfs/dbraw/zinc/72/59/11/1131725911.db2.gz GHDSTGFVECWRLG-UHFFFAOYSA-N -1 1 274.707 3.598 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc2cc(O)ccc21 ZINC001146492588 1131789057 /nfs/dbraw/zinc/78/90/57/1131789057.db2.gz OAKYAXOXMNKTGM-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CC[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001147262284 1131818346 /nfs/dbraw/zinc/81/83/46/1131818346.db2.gz JDIGWCRVMQUTTD-YPMHNXCESA-N -1 1 295.810 3.673 20 0 CHADMM Cc1ccc2oc(CNC(=O)c3c([O-])cccc3F)cc2c1 ZINC001147485943 1131826267 /nfs/dbraw/zinc/82/62/67/1131826267.db2.gz QQXJGPLNYUSUJD-UHFFFAOYSA-N -1 1 299.301 3.516 20 0 CHADMM O=C(NC[C@H]1C[C@H](F)C1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873607 1131873231 /nfs/dbraw/zinc/87/32/31/1131873231.db2.gz YXJNSTDSWDSALQ-MQMHXKEQSA-N -1 1 299.345 3.537 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC=CCCC1 ZINC001228554325 1131908489 /nfs/dbraw/zinc/90/84/89/1131908489.db2.gz HLIVGNVXJUFELD-CYBMUJFWSA-N -1 1 290.359 3.958 20 0 CHADMM CCC[C@@H](CC)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228560371 1131910589 /nfs/dbraw/zinc/91/05/89/1131910589.db2.gz OBBGOAKWDNDZJE-LLVKDONJSA-N -1 1 266.337 3.648 20 0 CHADMM CC(C)CC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134683 1132024083 /nfs/dbraw/zinc/02/40/83/1132024083.db2.gz IJBQNGJNUMLHDH-LLVKDONJSA-N -1 1 276.332 3.702 20 0 CHADMM CCC[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229135163 1132024878 /nfs/dbraw/zinc/02/48/78/1132024878.db2.gz LFXDLKUENIUALL-ZDUSSCGKSA-N -1 1 276.332 3.702 20 0 CHADMM C[C@@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C[C@@H]1C ZINC001229133817 1132025157 /nfs/dbraw/zinc/02/51/57/1132025157.db2.gz BKSRTZDHMPASOO-NTZNESFSSA-N -1 1 288.343 3.702 20 0 CHADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1cccs1 ZINC001229130105 1132025626 /nfs/dbraw/zinc/02/56/26/1132025626.db2.gz VFAIKCDFYKZUOR-SECBINFHSA-N -1 1 288.324 3.700 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134199 1132025678 /nfs/dbraw/zinc/02/56/78/1132025678.db2.gz GHEPNKBIXHFUIK-RISCZKNCSA-N -1 1 288.343 3.846 20 0 CHADMM CC[C@@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229260497 1132046988 /nfs/dbraw/zinc/04/69/88/1132046988.db2.gz UAUUOSSSDSSGTH-CYBMUJFWSA-N -1 1 284.355 3.995 20 0 CHADMM CCO[C@H](C)COc1cc([O-])c(Cl)cc1Cl ZINC001229406325 1132064407 /nfs/dbraw/zinc/06/44/07/1132064407.db2.gz QUZBMIBLMWAZKS-SSDOTTSWSA-N -1 1 265.136 3.503 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](c1cccnc1)C1CC1 ZINC001229477111 1132072980 /nfs/dbraw/zinc/07/29/80/1132072980.db2.gz LMQNGUBQXXOYKV-GOSISDBHSA-N -1 1 297.354 3.910 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](c1cccnc1)C1CC1 ZINC001229477114 1132073984 /nfs/dbraw/zinc/07/39/84/1132073984.db2.gz LMQNGUBQXXOYKV-SFHVURJKSA-N -1 1 297.354 3.910 20 0 CHADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1(C)C ZINC001141831376 1132252811 /nfs/dbraw/zinc/25/28/11/1132252811.db2.gz MKDBNZUPIKKOGE-YMTOWFKASA-N -1 1 295.329 3.847 20 0 CHADMM C[C@@H]1CCCC[C@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231200949 1132271004 /nfs/dbraw/zinc/27/10/04/1132271004.db2.gz VNIKZHVUSCKQEX-TZMCWYRMSA-N -1 1 284.359 3.807 20 0 CHADMM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(Cl)c([O-])c1 ZINC001231730382 1132345760 /nfs/dbraw/zinc/34/57/60/1132345760.db2.gz AHUWKOJVPMATGB-GFCCVEGCSA-N -1 1 293.716 3.615 20 0 CHADMM COc1cccc2c1CN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001231737627 1132349641 /nfs/dbraw/zinc/34/96/41/1132349641.db2.gz UUUOSGNXAPCLHD-UHFFFAOYSA-N -1 1 289.762 3.570 20 0 CHADMM [O-]c1cc(CN2CCC[C@H]2C(F)(F)F)ccc1Cl ZINC001231733253 1132351956 /nfs/dbraw/zinc/35/19/56/1132351956.db2.gz OWIOMCZTKUIFLA-NSHDSACASA-N -1 1 279.689 3.572 20 0 CHADMM C[C@H]1CC(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@H](C)C1 ZINC001142542311 1132405830 /nfs/dbraw/zinc/40/58/30/1132405830.db2.gz POQCDEOTVGASLG-RKDXNWHRSA-N -1 1 283.318 3.681 20 0 CHADMM Cc1nocc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001212723763 1132479838 /nfs/dbraw/zinc/47/98/38/1132479838.db2.gz GXQGUJSMWLVQPF-UHFFFAOYSA-N -1 1 259.092 3.739 20 0 CHADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)c([O-])c1F ZINC001232937187 1132544064 /nfs/dbraw/zinc/54/40/64/1132544064.db2.gz JOIBGIPELRZHHX-LLVKDONJSA-N -1 1 289.325 3.617 20 0 CHADMM Cc1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1F)CC2 ZINC001232931053 1132546643 /nfs/dbraw/zinc/54/66/43/1132546643.db2.gz IHVVWLHCIVNUOO-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CC1(C)C[C@H](NC(=O)c2c([O-])cccc2F)c2ccccc21 ZINC001150035967 1132550346 /nfs/dbraw/zinc/55/03/46/1132550346.db2.gz CLUNBAIXBRBMRC-AWEZNQCLSA-N -1 1 299.345 3.684 20 0 CHADMM C[C@@H]1C[N@@H+](Cc2cc(Cl)ncc2O)Cc2ccccc21 ZINC001233032437 1132565659 /nfs/dbraw/zinc/56/56/59/1132565659.db2.gz KUKMEVPVWPKIDT-LLVKDONJSA-N -1 1 288.778 3.560 20 0 CHADMM C[C@@H]1CN(Cc2cc(Cl)ncc2[O-])Cc2ccccc21 ZINC001233032437 1132565669 /nfs/dbraw/zinc/56/56/69/1132565669.db2.gz KUKMEVPVWPKIDT-LLVKDONJSA-N -1 1 288.778 3.560 20 0 CHADMM [O-]c1cc(Nc2ccc(F)c(F)c2)cc(F)c1F ZINC001173866568 1132568392 /nfs/dbraw/zinc/56/83/92/1132568392.db2.gz NSYBXAFOQCVXAS-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM C[C@@]1(NC(=O)c2cc(F)ccc2[O-])CCCc2ccccc21 ZINC001152107109 1132577027 /nfs/dbraw/zinc/57/70/27/1132577027.db2.gz UJULUEKXSULVFO-GOSISDBHSA-N -1 1 299.345 3.513 20 0 CHADMM Cc1cc(C)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 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CC(C)Oc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174109540 1132725304 /nfs/dbraw/zinc/72/53/04/1132725304.db2.gz LSVAZCSBLHUATP-UHFFFAOYSA-N -1 1 278.739 3.971 20 0 CHADMM Cc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001174112039 1132726988 /nfs/dbraw/zinc/72/69/88/1132726988.db2.gz VJTMJGGSXZYGLJ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001174114548 1132730265 /nfs/dbraw/zinc/73/02/65/1132730265.db2.gz WXWXQWZCPFWXGE-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COc1cc(F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001174131042 1132739589 /nfs/dbraw/zinc/73/95/89/1132739589.db2.gz ODBDPESHDALNLM-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2cnccc21 ZINC001174136535 1132743033 /nfs/dbraw/zinc/74/30/33/1132743033.db2.gz LFXHVDUHMAZADO-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(F)c1 ZINC001174146448 1132747795 /nfs/dbraw/zinc/74/77/95/1132747795.db2.gz FNGRXMCQWHFOQH-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM 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CHADMM COC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214486475 1134543493 /nfs/dbraw/zinc/54/34/93/1134543493.db2.gz JNTLTCSZEGWYEH-UHFFFAOYSA-N -1 1 295.697 3.715 20 0 CHADMM COc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccc1O ZINC001214488307 1134543939 /nfs/dbraw/zinc/54/39/39/1134543939.db2.gz BELSFRBVXGGSIU-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(O)c(F)c2F)cc1Cl ZINC001214486451 1134544042 /nfs/dbraw/zinc/54/40/42/1134544042.db2.gz ISLFBBMWFLEYLK-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM CCOc1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214484820 1134544179 /nfs/dbraw/zinc/54/41/79/1134544179.db2.gz PSCKGKAYYLDCIQ-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM [O-]c1c(F)cc(Nc2cc3ccccn3n2)cc1Cl ZINC001214486494 1134544270 /nfs/dbraw/zinc/54/42/70/1134544270.db2.gz KITWIMBXKYLEOS-UHFFFAOYSA-N -1 1 277.686 3.576 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3snnc32)cc1Cl ZINC001214491564 1134544514 /nfs/dbraw/zinc/54/45/14/1134544514.db2.gz CCCVZCCWNIQZKN-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 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CC[C@@H]1CCCC[C@H]1Oc1cc([O-])ccc1C(=O)COC ZINC001227168049 1135794052 /nfs/dbraw/zinc/79/40/52/1135794052.db2.gz DKNHVDRPYKUTSB-MLGOLLRUSA-N -1 1 292.375 3.569 20 0 CHADMM CC/C=C(\C)[C@@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227172239 1135794824 /nfs/dbraw/zinc/79/48/24/1135794824.db2.gz NFCQWFCVXHVKHG-NYUWMOHMSA-N -1 1 292.375 3.735 20 0 CHADMM CC[C@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1C ZINC001227384411 1135828475 /nfs/dbraw/zinc/82/84/75/1135828475.db2.gz YXJPELZMZJVXFI-LBPRGKRZSA-N -1 1 296.342 3.882 20 0 CHADMM C[C@H](Oc1cc(Cl)c([O-])cc1Cl)c1ncccn1 ZINC001227642460 1135852701 /nfs/dbraw/zinc/85/27/01/1135852701.db2.gz ZLRWCOBHKKCWEO-ZETCQYMHSA-N -1 1 285.130 3.629 20 0 CHADMM CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1cccs1 ZINC000574285989 335007028 /nfs/dbraw/zinc/00/70/28/335007028.db2.gz TXVFDKQHBGMHJI-VXGBXAGGSA-N -1 1 267.394 3.528 20 0 CHADMM Cc1oc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000574406880 335017299 /nfs/dbraw/zinc/01/72/99/335017299.db2.gz WLKGALSFVONNIY-JTQLQIEISA-N 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CCc1ccc(CSc2nc(CC)c(C)c(=O)[n-]2)cc1 ZINC000577192693 335320141 /nfs/dbraw/zinc/32/01/41/335320141.db2.gz RQDNXYLYEUXBKH-UHFFFAOYSA-N -1 1 288.416 3.908 20 0 CHADMM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)s1 ZINC000383552451 336113811 /nfs/dbraw/zinc/11/38/11/336113811.db2.gz HQNYMYYGUNNVMP-UHFFFAOYSA-N -1 1 287.384 3.611 20 0 CHADMM C[C@H]1CCCC[C@@H]1c1noc(-c2cc(F)ccc2[O-])n1 ZINC000384959449 336134962 /nfs/dbraw/zinc/13/49/62/336134962.db2.gz HDSNQPNDNFPPTP-ONGXEEELSA-N -1 1 276.311 3.875 20 0 CHADMM C[C@H]1CCCC[C@H]1c1noc(-c2cc(F)ccc2[O-])n1 ZINC000384959446 336135097 /nfs/dbraw/zinc/13/50/97/336135097.db2.gz HDSNQPNDNFPPTP-GXSJLCMTSA-N -1 1 276.311 3.875 20 0 CHADMM CCC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000262713360 521163073 /nfs/dbraw/zinc/16/30/73/521163073.db2.gz QNGYBXSHRZWOIX-HNNXBMFYSA-N -1 1 287.359 3.598 20 0 CHADMM CC[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278226028 523355276 /nfs/dbraw/zinc/35/52/76/523355276.db2.gz RFIHRYGWNNJKTC-SKDRFNHKSA-N -1 1 294.738 3.726 20 0 CHADMM COCCC[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278135109 523468680 /nfs/dbraw/zinc/46/86/80/523468680.db2.gz KSIRCFGATMWKRQ-SECBINFHSA-N -1 1 296.754 3.626 20 0 CHADMM [O-]c1cccc(CNc2ccc(-n3ccnc3)cc2)c1Cl ZINC000339193131 526360619 /nfs/dbraw/zinc/36/06/19/526360619.db2.gz SAJYFAREBFWPSM-UHFFFAOYSA-N -1 1 299.761 3.843 20 0 CHADMM Cc1nc2ccccc2cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332079 527162144 /nfs/dbraw/zinc/16/21/44/527162144.db2.gz HALVWHIAIOKYQK-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CCC1(CC)CCCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000347933893 529043929 /nfs/dbraw/zinc/04/39/29/529043929.db2.gz BLYAFUCVZUCHQU-UHFFFAOYSA-N -1 1 290.407 3.528 20 0 CHADMM C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000062015150 599847057 /nfs/dbraw/zinc/84/70/57/599847057.db2.gz CUMQVWMWMVNDEV-SNVBAGLBSA-N -1 1 293.750 3.824 20 0 CHADMM CCc1ccc(CN(Cc2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000737264885 599847103 /nfs/dbraw/zinc/84/71/03/599847103.db2.gz MBBHIELNJHKNMR-UHFFFAOYSA-N -1 1 299.370 3.705 20 0 CHADMM CCCN(Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1 ZINC000737019687 599849387 /nfs/dbraw/zinc/84/93/87/599849387.db2.gz IXLBBIBWDDRNMO-UHFFFAOYSA-N -1 1 291.322 3.529 20 0 CHADMM Cc1ccc(C)c(CN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000156907808 600085825 /nfs/dbraw/zinc/08/58/25/600085825.db2.gz VLMBFZGRJNZCAL-UHFFFAOYSA-N -1 1 281.355 3.517 20 0 CHADMM C[C@@H]1c2c(F)cccc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000736838761 600441583 /nfs/dbraw/zinc/44/15/83/600441583.db2.gz TVRIKLCFOJERPQ-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccsc1C(=O)[O-] ZINC000110956849 601807769 /nfs/dbraw/zinc/80/77/69/601807769.db2.gz BFMUKLLTCNLIQX-JTQLQIEISA-N -1 1 293.363 3.778 20 0 CHADMM O=C([O-])c1sccc1CN1CCCC[C@@H]1c1ccco1 ZINC000833348675 601828728 /nfs/dbraw/zinc/82/87/28/601828728.db2.gz PAGVVKZXTVUWSZ-GFCCVEGCSA-N -1 1 291.372 3.767 20 0 CHADMM C[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000235520123 601935625 /nfs/dbraw/zinc/93/56/25/601935625.db2.gz ANAPIFPMSGYPTM-VIFPVBQESA-N -1 1 295.791 3.951 20 0 CHADMM CN(CC(=O)[O-])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000833691807 604540699 /nfs/dbraw/zinc/54/06/99/604540699.db2.gz CNMYMQCSDXJKFO-UHFFFAOYSA-N -1 1 295.791 3.585 20 0 CHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548572 605104693 /nfs/dbraw/zinc/10/46/93/605104693.db2.gz PFXCBDAKKPCPAT-JTQLQIEISA-N -1 1 292.766 3.559 20 0 CHADMM O=C([O-])c1ccc2c(c1)C[N@H+](CC/C=C/c1ccccc1)C2 ZINC000322980296 970954295 /nfs/dbraw/zinc/95/42/95/970954295.db2.gz YXMJJQADPSJCAK-XBXARRHUSA-N -1 1 293.366 3.804 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CC/C=C/c1ccccc1)C2 ZINC000322980296 970954301 /nfs/dbraw/zinc/95/43/01/970954301.db2.gz YXMJJQADPSJCAK-XBXARRHUSA-N -1 1 293.366 3.804 20 0 CHADMM CSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228161374 959996129 /nfs/dbraw/zinc/99/61/29/959996129.db2.gz NQMPPHURLNIUAI-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cccs1 ZINC000314967050 963836813 /nfs/dbraw/zinc/83/68/13/963836813.db2.gz NLOLHSRBTXEBID-RKDXNWHRSA-N -1 1 296.417 3.705 20 0 CHADMM Cc1ccc2nc(SCC3(C(=O)[O-])CCCC3)[nH]c2c1 ZINC000405155579 973769108 /nfs/dbraw/zinc/76/91/08/973769108.db2.gz KNWIFFLRBGXXCS-UHFFFAOYSA-N -1 1 290.388 3.608 20 0 CHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Cl)ccc1F ZINC000530179638 974365142 /nfs/dbraw/zinc/36/51/42/974365142.db2.gz NJPTUOURKMBBBR-NXEZZACHSA-N -1 1 299.773 3.553 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccsc1 ZINC000563966530 974542308 /nfs/dbraw/zinc/54/23/08/974542308.db2.gz KTYWLJPYXZRQHE-ZDUSSCGKSA-N -1 1 291.372 3.685 20 0 CHADMM CCCc1ccc(CN[C@H](C(=O)[O-])c2cccs2)s1 ZINC000621247306 975027132 /nfs/dbraw/zinc/02/71/32/975027132.db2.gz ODIDFKDYIJLSMY-ZDUSSCGKSA-N -1 1 295.429 3.678 20 0 CHADMM CCCC[C@@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000656565706 975664228 /nfs/dbraw/zinc/66/42/28/975664228.db2.gz RFEWIMJBIJQCIU-OAHLLOKOSA-N -1 1 289.375 3.728 20 0 CHADMM CC[C@H](Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC001595318991 980504723 /nfs/dbraw/zinc/50/47/23/980504723.db2.gz WLANTFGGXZQWNA-HNNXBMFYSA-N -1 1 290.407 3.651 20 0 CHADMM CCc1oc(CN[C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000902131488 980750320 /nfs/dbraw/zinc/75/03/20/980750320.db2.gz PXAYNSTYUAVYCD-QGZVFWFLSA-N -1 1 299.370 3.781 20 0 CHADMM Cc1cc(CNC2(c3cccc(C)c3)CCC2)oc1C(=O)[O-] ZINC000902444756 980890723 /nfs/dbraw/zinc/89/07/23/980890723.db2.gz QJIYJEOLHABJIS-UHFFFAOYSA-N -1 1 299.370 3.764 20 0 CHADMM C[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001594536652 986155432 /nfs/dbraw/zinc/15/54/32/986155432.db2.gz FFRHCKHSZHQHTA-VASKQELCSA-N -1 1 297.354 3.570 20 0 CHADMM CSc1ccccc1[C@H](C)NCc1occc1C(=O)[O-] ZINC001599825766 988595638 /nfs/dbraw/zinc/59/56/38/988595638.db2.gz PEPHCWYDFDDCHP-JTQLQIEISA-N -1 1 291.372 3.551 20 0 CHADMM CC(C)C[C@@H](C(=O)[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001591119682 991788513 /nfs/dbraw/zinc/78/85/13/991788513.db2.gz FLHZPYHRHWAYST-ZFWWWQNUSA-N -1 1 291.391 3.696 20 0 CHADMM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC001593353047 994972150 /nfs/dbraw/zinc/97/21/50/994972150.db2.gz LKYCAPIYMFFKMS-IUCAKERBSA-N -1 1 295.285 3.668 20 0 CHADMM Cc1cncc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174757009 1121041092 /nfs/dbraw/zinc/04/10/92/1121041092.db2.gz DBDGNQJTSVLOOC-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM CCC1(NC(=O)c2cc([O-])cc(F)c2F)CCCCC1 ZINC001192678880 1122655031 /nfs/dbraw/zinc/65/50/31/1122655031.db2.gz NATBILQTFMBQEH-UHFFFAOYSA-N -1 1 283.318 3.513 20 0 CHADMM CC(C)CN(C(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000876394511 1124943764 /nfs/dbraw/zinc/94/37/64/1124943764.db2.gz WLQNBZFHZQZKTB-UHFFFAOYSA-N -1 1 298.814 3.622 20 0 CHADMM [O-]c1cccc(CN2CCCC[C@@H]2C(F)(F)F)c1Cl ZINC001232786951 1132521622 /nfs/dbraw/zinc/52/16/22/1132521622.db2.gz HCSWILJNPCKXMM-LLVKDONJSA-N -1 1 293.716 3.962 20 0 CHADMM C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)c1cncnc1 ZINC001227641509 1135852635 /nfs/dbraw/zinc/85/26/35/1135852635.db2.gz OMOBSRGPFGHILM-SSDOTTSWSA-N -1 1 285.130 3.629 20 0 CHADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680078 1125620885 /nfs/dbraw/zinc/62/08/85/1125620885.db2.gz LICDKBOOWAGRMG-IUCAKERBSA-N -1 1 285.746 3.950 20 0 CHADMM O=C(C[C@@H]1CC=CCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885682533 1125620976 /nfs/dbraw/zinc/62/09/76/1125620976.db2.gz RLLIYTCXKZUKSG-SECBINFHSA-N -1 1 283.730 3.870 20 0 CHADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000110325409 1125628741 /nfs/dbraw/zinc/62/87/41/1125628741.db2.gz WFZXZXKXTDFGPS-CQSZACIVSA-N -1 1 289.762 3.927 20 0 CHADMM CC1CCC(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000110325727 1125628777 /nfs/dbraw/zinc/62/87/77/1125628777.db2.gz JBLNTJCPTKYHRH-UHFFFAOYSA-N -1 1 281.783 3.602 20 0 CHADMM CC(C)Oc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289588 1129508072 /nfs/dbraw/zinc/50/80/72/1129508072.db2.gz WEEDNAZIXDZOBC-UHFFFAOYSA-N -1 1 265.259 3.520 20 0 CHADMM CC1(CC(=O)Nc2c([O-])cccc2F)CCCCC1 ZINC000677123803 1130290417 /nfs/dbraw/zinc/29/04/17/1130290417.db2.gz PIYWQHYJSLQIQF-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C3CCC3)o2)cc1 ZINC000904048595 1126825605 /nfs/dbraw/zinc/82/56/05/1126825605.db2.gz PEIJHNOXJTYGHX-QGZVFWFLSA-N -1 1 299.370 3.598 20 0 CHADMM Cc1ccc2nc(-c3cc(C)cc(C)c3)[n-]c(=O)c2c1 ZINC000164974993 1129211232 /nfs/dbraw/zinc/21/12/32/1129211232.db2.gz FOBRIXTUIPSUOO-UHFFFAOYSA-N -1 1 264.328 3.515 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000183924462 1126893209 /nfs/dbraw/zinc/89/32/09/1126893209.db2.gz GJAUKKSNJKVMKK-GFCCVEGCSA-N -1 1 297.354 3.642 20 0 CHADMM C[C@H]1CC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908710384 1127013086 /nfs/dbraw/zinc/01/30/86/1127013086.db2.gz PGNXIOKGYDHPSZ-IUCAKERBSA-N -1 1 298.180 3.529 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908710386 1127013191 /nfs/dbraw/zinc/01/31/91/1127013191.db2.gz PGNXIOKGYDHPSZ-RKDXNWHRSA-N -1 1 298.180 3.529 20 0 CHADMM CC(C)(C)/C=C/C(=O)Nc1cccc([O-])c1Br ZINC000908713977 1127013334 /nfs/dbraw/zinc/01/33/34/1127013334.db2.gz XPOUBOINWNELFA-BQYQJAHWSA-N -1 1 298.180 3.696 20 0 CHADMM CCCCSCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980782 1127042771 /nfs/dbraw/zinc/04/27/71/1127042771.db2.gz FZKCOEYWFXBLGL-UHFFFAOYSA-N -1 1 289.347 3.532 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCC[C@@H]1C1CC1 ZINC000909987955 1127044168 /nfs/dbraw/zinc/04/41/68/1127044168.db2.gz OZCBBZZPBLBHIW-MNOVXSKESA-N -1 1 295.329 3.825 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC=CCCC1 ZINC000909970998 1127042005 /nfs/dbraw/zinc/04/20/05/1127042005.db2.gz BXUZSGMMMYDOCU-SNVBAGLBSA-N -1 1 281.302 3.745 20 0 CHADMM CCOc1cc(C(=O)N(C)[C@H](C)C(C)C)cc(Cl)c1[O-] ZINC000273939710 1127103046 /nfs/dbraw/zinc/10/30/46/1127103046.db2.gz JWNQJZGKMRFQLK-SNVBAGLBSA-N -1 1 299.798 3.561 20 0 CHADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000284567965 1127190205 /nfs/dbraw/zinc/19/02/05/1127190205.db2.gz FLLIJXLEWVWXHX-MWLCHTKSSA-N -1 1 265.740 3.586 20 0 CHADMM [O-]c1cccc(CN2CCCc3occc3C2)c1Cl ZINC000353552560 1127269048 /nfs/dbraw/zinc/26/90/48/1127269048.db2.gz YTBIHGPUHHFHSN-UHFFFAOYSA-N -1 1 277.751 3.587 20 0 CHADMM C[C@@H]1C[C@H](C)CN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150653 1131175165 /nfs/dbraw/zinc/17/51/65/1131175165.db2.gz WJETZBDSARLRNK-AOOOYVTPSA-N -1 1 271.763 3.663 20 0 CHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cocn1 ZINC000591252107 1127290290 /nfs/dbraw/zinc/29/02/90/1127290290.db2.gz MXLBTWKFHUONSU-UHFFFAOYSA-N -1 1 282.752 3.692 20 0 CHADMM CCC[C@@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354371748 1127305916 /nfs/dbraw/zinc/30/59/16/1127305916.db2.gz JOCJZVPOMDAENY-LLVKDONJSA-N -1 1 287.363 3.547 20 0 CHADMM CC1(C)CC[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000359587786 1127468564 /nfs/dbraw/zinc/46/85/64/1127468564.db2.gz MOMADOLMUCZPJC-GFCCVEGCSA-N -1 1 299.374 3.547 20 0 CHADMM Oc1cccc(C[NH2+][C@H]2CCc3c2cccc3F)c1Cl ZINC000293595523 1127507710 /nfs/dbraw/zinc/50/77/10/1127507710.db2.gz OOBDUWACRSICDV-AWEZNQCLSA-N -1 1 291.753 3.962 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000361154963 1127542708 /nfs/dbraw/zinc/54/27/08/1127542708.db2.gz SZFQFKCMWDLTNI-CYBMUJFWSA-N -1 1 291.347 3.570 20 0 CHADMM [O-]c1cccc(CN(Cc2cccnc2)C2CC2)c1Cl ZINC000293962427 1127537089 /nfs/dbraw/zinc/53/70/89/1127537089.db2.gz PYXOPJVKNUPQKC-UHFFFAOYSA-N -1 1 288.778 3.605 20 0 CHADMM CCCN(CCC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000298246542 1127716834 /nfs/dbraw/zinc/71/68/34/1127716834.db2.gz VBBRXJLSIWIDOC-UHFFFAOYSA-N -1 1 299.798 3.707 20 0 CHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1Cl ZINC000608367581 1127862511 /nfs/dbraw/zinc/86/25/11/1127862511.db2.gz XZAUINYROXIHTB-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CC(C)Oc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608366994 1127863117 /nfs/dbraw/zinc/86/31/17/1127863117.db2.gz FOXRBPJOWTYEDW-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CC=C(c2ccccc2)C1 ZINC000374865346 1127916946 /nfs/dbraw/zinc/91/69/46/1127916946.db2.gz QNQDMMDHNTVAMB-UHFFFAOYSA-N -1 1 299.757 3.585 20 0 CHADMM C[C@H](C(=O)[N-]OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001327012605 1127945806 /nfs/dbraw/zinc/94/58/06/1127945806.db2.gz KOVVUTYKEAQJFC-VIFPVBQESA-N -1 1 289.297 3.655 20 0 CHADMM CC[C@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001298058374 1127973323 /nfs/dbraw/zinc/97/33/23/1127973323.db2.gz IHRAYXUWGXCWNJ-STQMWFEESA-N -1 1 295.810 3.531 20 0 CHADMM C[N@H+](CCOc1ccccc1)Cc1cccc(O)c1Cl ZINC000506804046 1127984235 /nfs/dbraw/zinc/98/42/35/1127984235.db2.gz DVCCWCDSUUCAFR-UHFFFAOYSA-N -1 1 291.778 3.556 20 0 CHADMM CC1CCC(=CC(=O)Nc2c([O-])cccc2F)CC1 ZINC000089541478 1128315916 /nfs/dbraw/zinc/31/59/16/1128315916.db2.gz SECAPZMGAASNLV-UHFFFAOYSA-N -1 1 263.312 3.606 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H](F)Cc1ccccc1 ZINC000777974658 1128352587 /nfs/dbraw/zinc/35/25/87/1128352587.db2.gz DCAQRKWAJRYOAJ-ZDUSSCGKSA-N -1 1 293.725 3.565 20 0 CHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000124731745 1128445418 /nfs/dbraw/zinc/44/54/18/1128445418.db2.gz ZYXAOVKOOWWTEN-WFASDCNBSA-N -1 1 283.371 3.949 20 0 CHADMM CC1(CCC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000935021231 1128476759 /nfs/dbraw/zinc/47/67/59/1128476759.db2.gz STTSWDPDUYBJOF-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2ccccc2n1 ZINC000067738965 1128487472 /nfs/dbraw/zinc/48/74/72/1128487472.db2.gz ASIMJJKTVIDGKG-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM CC(C)(CSc1nc(C(F)F)cc(=O)[n-]1)CC(F)F ZINC000917746428 1128518267 /nfs/dbraw/zinc/51/82/67/1128518267.db2.gz NVGXTEUFGHECAZ-UHFFFAOYSA-N -1 1 298.305 3.893 20 0 CHADMM N#CC(=C([O-])c1cc2c(cccc2F)s1)c1ccccn1 ZINC000041493739 1128545464 /nfs/dbraw/zinc/54/54/64/1128545464.db2.gz BDLIFLNUNLZBDA-NSHDSACASA-N -1 1 296.326 3.925 20 0 CHADMM C[C@@H]1CCC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000568142303 1128578979 /nfs/dbraw/zinc/57/89/79/1128578979.db2.gz FBTLGQCXZNCGGH-HTQZYQBOSA-N -1 1 274.336 3.791 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)cc(F)c1 ZINC000067739053 1117794014 /nfs/dbraw/zinc/79/40/14/1117794014.db2.gz PZMZNXMQPBKESV-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CCc1ccc(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC000049090083 1128743256 /nfs/dbraw/zinc/74/32/56/1128743256.db2.gz LSPWRHGOWGTWGC-UHFFFAOYSA-N -1 1 295.791 3.600 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC2CCC1CC2 ZINC000367396521 1118055592 /nfs/dbraw/zinc/05/55/92/1118055592.db2.gz KWODHQCYNKXCOS-UHFFFAOYSA-N -1 1 281.355 3.560 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ncccc1F ZINC001209810335 1118093847 /nfs/dbraw/zinc/09/38/47/1118093847.db2.gz BNUWAHAOCAKWJG-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM CCCc1nc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)co1 ZINC000340179239 1118101525 /nfs/dbraw/zinc/10/15/25/1118101525.db2.gz YSBWFFZSOKASPU-UHFFFAOYSA-N -1 1 289.722 3.596 20 0 CHADMM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1O ZINC000764871242 1118122951 /nfs/dbraw/zinc/12/29/51/1118122951.db2.gz IGQLDNWXWQPIPA-UHFFFAOYSA-N -1 1 285.343 3.782 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1NC1=CCC(F)(F)CC1 ZINC001210031413 1118136049 /nfs/dbraw/zinc/13/60/49/1118136049.db2.gz PQVIIIVSKJTUAE-UHFFFAOYSA-N -1 1 293.269 3.614 20 0 CHADMM [O-]c1cc(Nc2cccc(F)c2O)c(F)cc1Cl ZINC001210198464 1118191366 /nfs/dbraw/zinc/19/13/66/1118191366.db2.gz SRGDBGWMFYZOLO-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM COc1ccc(-c2ccc(Cl)c([O-])c2)c(OC)c1 ZINC000065343415 1118243599 /nfs/dbraw/zinc/24/35/99/1118243599.db2.gz UUSYNSBNBLUDOU-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@H]2CCc3ccccc32)n1 ZINC000683738465 1118323690 /nfs/dbraw/zinc/32/36/90/1118323690.db2.gz DKTALKYWRDOGSD-ZDUSSCGKSA-N -1 1 272.373 3.524 20 0 CHADMM O=c1cc(C2CC2)nc(S[C@@H]2CCc3ccccc32)[n-]1 ZINC000683739852 1118325232 /nfs/dbraw/zinc/32/52/32/1118325232.db2.gz MYTJKWYYDTVNAV-CQSZACIVSA-N -1 1 284.384 3.839 20 0 CHADMM Cc1oncc1[N-]c1cc(-c2ccc(C)cc2)no1 ZINC001210578231 1118332966 /nfs/dbraw/zinc/33/29/66/1118332966.db2.gz CAURAGHTHQTRPX-UHFFFAOYSA-N -1 1 255.277 3.690 20 0 CHADMM C[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000683882930 1118426191 /nfs/dbraw/zinc/42/61/91/1118426191.db2.gz IWHLUMNFJYNCOR-LLVKDONJSA-N -1 1 279.355 3.620 20 0 CHADMM CCc1c(Cl)cc(Nc2ccncn2)c([O-])c1Cl ZINC001211028052 1118440736 /nfs/dbraw/zinc/44/07/36/1118440736.db2.gz ISDSZTBUCIWYPO-UHFFFAOYSA-N -1 1 284.146 3.795 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(N3CCCCC3)nc2)cc1F ZINC001211340192 1118505803 /nfs/dbraw/zinc/50/58/03/1118505803.db2.gz TUUZXAAZMXLCRA-UHFFFAOYSA-N -1 1 290.313 3.723 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616729646 1128797615 /nfs/dbraw/zinc/79/76/15/1128797615.db2.gz QQDIOHXXRAUYMO-BBRMVZONSA-N -1 1 281.355 3.560 20 0 CHADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000684471133 1118742803 /nfs/dbraw/zinc/74/28/03/1118742803.db2.gz RSKHEIOECZCVEH-QWRGUYRKSA-N -1 1 265.328 3.686 20 0 CHADMM Cc1ncccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000091497356 1118792682 /nfs/dbraw/zinc/79/26/82/1118792682.db2.gz UWDNNRURRAHHBG-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1CC1CCC1 ZINC000620569528 1118823407 /nfs/dbraw/zinc/82/34/07/1118823407.db2.gz WZPJYPCHIYFBJK-ZDUSSCGKSA-N -1 1 291.366 3.716 20 0 CHADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000016126948 1118842099 /nfs/dbraw/zinc/84/20/99/1118842099.db2.gz ZHIJYPPTSWWQDG-UHFFFAOYSA-N -1 1 293.363 3.750 20 0 CHADMM CNc1cc(F)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001216187143 1118865941 /nfs/dbraw/zinc/86/59/41/1118865941.db2.gz QXOHEWPXGDGKTG-UHFFFAOYSA-N -1 1 268.238 3.595 20 0 CHADMM CCC(CC)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000657243135 1118931681 /nfs/dbraw/zinc/93/16/81/1118931681.db2.gz LCPUBDWNCLJDBI-UHFFFAOYSA-N -1 1 296.436 3.592 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCCc2sccc21 ZINC000684784191 1119028766 /nfs/dbraw/zinc/02/87/66/1119028766.db2.gz VMLWWWYWIWYGHG-UHFFFAOYSA-N -1 1 291.347 3.576 20 0 CHADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1[O-] ZINC001167604411 1119164577 /nfs/dbraw/zinc/16/45/77/1119164577.db2.gz ZPNIHTNGCLDYRZ-CMPLNLGQSA-N -1 1 281.783 3.839 20 0 CHADMM CCc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000685574868 1119634271 /nfs/dbraw/zinc/63/42/71/1119634271.db2.gz JJQGEEYRHPGIJA-UHFFFAOYSA-N -1 1 296.342 3.975 20 0 CHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1c([O-])cccc1F ZINC000613026587 1119851135 /nfs/dbraw/zinc/85/11/35/1119851135.db2.gz GLGNWBICJWQFLS-BXUZGUMPSA-N -1 1 299.292 3.685 20 0 CHADMM CCOc1cc(C(=O)NCC(CC)CC)cc(Cl)c1[O-] ZINC000186784633 1120000033 /nfs/dbraw/zinc/00/00/33/1120000033.db2.gz RDGKUIZPFCZXBR-UHFFFAOYSA-N -1 1 299.798 3.610 20 0 CHADMM CCCC[C@@H](CC)C(=O)Nc1cccc(F)c1[O-] ZINC000628960586 1128888617 /nfs/dbraw/zinc/88/86/17/1128888617.db2.gz LDKXTSYWEBUYFQ-SNVBAGLBSA-N -1 1 253.317 3.686 20 0 CHADMM CCc1c(C)[n-]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000103316145 1120095988 /nfs/dbraw/zinc/09/59/88/1120095988.db2.gz BGKAAYDZUPOKMM-SECBINFHSA-N -1 1 271.147 3.742 20 0 CHADMM O=C(Nc1cccc2ccccc21)c1ccc([O-])cc1F ZINC000181846993 1120110056 /nfs/dbraw/zinc/11/00/56/1120110056.db2.gz XNTLLXLKCFYBMI-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM CC(C)Oc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181881980 1120111020 /nfs/dbraw/zinc/11/10/20/1120111020.db2.gz GMQSLPZAFAZTLR-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM CC(C)c1cccc(N(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000181914032 1120111164 /nfs/dbraw/zinc/11/11/64/1120111164.db2.gz NKZFZXTUTNGUAE-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM Cc1cccc(O)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000183052977 1120129823 /nfs/dbraw/zinc/12/98/23/1120129823.db2.gz NUBUKNNAIYZRBS-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccc([O-])cc1F ZINC000314242257 1120179666 /nfs/dbraw/zinc/17/96/66/1120179666.db2.gz YGMYOZLBGMFBOC-HNNXBMFYSA-N -1 1 291.366 3.764 20 0 CHADMM N#CC(=C([O-])C=Cc1ccccc1)c1cnc2ccccc2n1 ZINC000191001307 1128896967 /nfs/dbraw/zinc/89/69/67/1128896967.db2.gz WAAGTQCVTVFLNL-NKSUMMKUSA-N -1 1 299.333 3.519 20 0 CHADMM Cc1cc(C[C@@H](C)Nc2cc(F)c([O-])c(Cl)c2)on1 ZINC001214480650 1120242322 /nfs/dbraw/zinc/24/23/22/1120242322.db2.gz WWHIVORBDVXUEV-SSDOTTSWSA-N -1 1 284.718 3.524 20 0 CHADMM CCCC[C@@H](CCC)NC(=O)c1c([O-])cccc1F ZINC000226038150 1120246261 /nfs/dbraw/zinc/24/62/61/1120246261.db2.gz LZXUINKXDYIXCH-LLVKDONJSA-N -1 1 267.344 3.620 20 0 CHADMM CSc1ccccc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000673699586 1120661650 /nfs/dbraw/zinc/66/16/50/1120661650.db2.gz KUSIPTSVIKNZAT-UHFFFAOYSA-N -1 1 298.314 3.895 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1)CCCCC2 ZINC000109522709 1120785517 /nfs/dbraw/zinc/78/55/17/1120785517.db2.gz JRRZXVCJPSSYAG-ZDUSSCGKSA-N -1 1 276.767 3.619 20 0 CHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000184199481 1120793867 /nfs/dbraw/zinc/79/38/67/1120793867.db2.gz XNRVZWRZSAIGFA-JTQLQIEISA-N -1 1 275.735 3.788 20 0 CHADMM N#Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000191555518 1128942573 /nfs/dbraw/zinc/94/25/73/1128942573.db2.gz ORQHDEVXZNLKMB-UHFFFAOYSA-N -1 1 276.698 3.668 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc(CO)c1Cl ZINC001212766700 1121053642 /nfs/dbraw/zinc/05/36/42/1121053642.db2.gz SYLCGWPRTNHZRC-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)c(F)c(F)c1 ZINC001174959956 1121113040 /nfs/dbraw/zinc/11/30/40/1121113040.db2.gz CEVRVYAHGXUOPF-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000402663649 1121117848 /nfs/dbraw/zinc/11/78/48/1121117848.db2.gz XTKHIFBVIZLCAN-ZETCQYMHSA-N -1 1 295.688 3.963 20 0 CHADMM CCOc1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001175005486 1121128673 /nfs/dbraw/zinc/12/86/73/1121128673.db2.gz LWTWVNRZLGNAJO-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1ccc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001175068475 1121148530 /nfs/dbraw/zinc/14/85/30/1121148530.db2.gz OOOJJRDBPWVFPZ-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001175069145 1121149300 /nfs/dbraw/zinc/14/93/00/1121149300.db2.gz YNTBRTVCQGGHFI-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)cc(Cl)c1 ZINC000675037084 1121209655 /nfs/dbraw/zinc/20/96/55/1121209655.db2.gz GPOIDURNMCKMSC-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1F ZINC001175252746 1121222902 /nfs/dbraw/zinc/22/29/02/1121222902.db2.gz IZNRNRIKGOPPBK-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM CC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1F ZINC001175233327 1121235776 /nfs/dbraw/zinc/23/57/76/1121235776.db2.gz XNHAOJLBDGEDPE-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CCc1cccc(NC(=O)c2ccccc2[O-])c1CC ZINC000436731288 1121241433 /nfs/dbraw/zinc/24/14/33/1121241433.db2.gz CFSOZXFNZGVBFI-UHFFFAOYSA-N -1 1 269.344 3.769 20 0 CHADMM CCOc1cc(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001175290832 1121258455 /nfs/dbraw/zinc/25/84/55/1121258455.db2.gz QTRPBVLDAFDUEO-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(C)Cc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001175297239 1121260430 /nfs/dbraw/zinc/26/04/30/1121260430.db2.gz ZACOCTBOTRRPSO-UHFFFAOYSA-N -1 1 281.359 3.512 20 0 CHADMM Cc1c2c[nH]nc2ccc1Nc1cc(F)c([O-])cc1F ZINC001175467796 1121332083 /nfs/dbraw/zinc/33/20/83/1121332083.db2.gz IQPJRCIKYRENBF-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282821380 1121338678 /nfs/dbraw/zinc/33/86/78/1121338678.db2.gz YODRXMDTPPVZSV-MRVPVSSYSA-N -1 1 289.709 3.810 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cncs2)c1Cl ZINC001175497536 1121345489 /nfs/dbraw/zinc/34/54/89/1121345489.db2.gz CQIYKYPJMCJDHF-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM Cc1nc(SCCC(C)C)[n-]c(=O)c1C1CC1 ZINC000631024807 1128979144 /nfs/dbraw/zinc/97/91/44/1128979144.db2.gz DXVZIIUOPFYWIC-UHFFFAOYSA-N -1 1 252.383 3.506 20 0 CHADMM Cn1cc2c(cccc2Nc2cc([O-])c(Cl)cc2F)n1 ZINC001175594187 1121377839 /nfs/dbraw/zinc/37/78/39/1121377839.db2.gz OVCQHXSEDZCMGB-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc3ccncc3c2)cc1F ZINC001175707330 1121448827 /nfs/dbraw/zinc/44/88/27/1121448827.db2.gz KRUMNFBAEMCUSL-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000676698255 1121455537 /nfs/dbraw/zinc/45/55/37/1121455537.db2.gz SEZIOBNRGAUXPD-VHSXEESVSA-N -1 1 291.347 3.643 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(F)cn1 ZINC001175851154 1121481102 /nfs/dbraw/zinc/48/11/02/1121481102.db2.gz GHPCORQUNKQAQV-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)n1 ZINC000711249488 1121512794 /nfs/dbraw/zinc/51/27/94/1121512794.db2.gz GRHBFBVONOOXKH-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM CCCc1c(C)[n-]n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000614187022 1121515732 /nfs/dbraw/zinc/51/57/32/1121515732.db2.gz OPUIGWTUFVVMRF-ZDUSSCGKSA-N -1 1 298.308 3.840 20 0 CHADMM CC(C)(C)c1nnc([N-]c2ccccc2OC(F)F)o1 ZINC001176007671 1121523413 /nfs/dbraw/zinc/52/34/13/1121523413.db2.gz KWCBEYRPUBLSED-UHFFFAOYSA-N -1 1 283.278 3.712 20 0 CHADMM COCOc1ccc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001176191553 1121569729 /nfs/dbraw/zinc/56/97/29/1121569729.db2.gz RHTILGCQSIHMMH-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CCCOc1cccc(F)c1Nc1ncc(F)cc1[O-] ZINC001211786271 1121590325 /nfs/dbraw/zinc/59/03/25/1121590325.db2.gz XVWXMDSZQKSLGI-UHFFFAOYSA-N -1 1 280.274 3.598 20 0 CHADMM CSc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773567528 1121605149 /nfs/dbraw/zinc/60/51/49/1121605149.db2.gz BSHAOKZSBSPJKH-UHFFFAOYSA-N -1 1 292.331 3.610 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1c(F)cccc1F ZINC000773574142 1121608643 /nfs/dbraw/zinc/60/86/43/1121608643.db2.gz AJUXVNZSQRFWLX-QMMMGPOBSA-N -1 1 296.244 3.728 20 0 CHADMM [O-]c1c(F)cc(Nc2c(F)cc(F)c(F)c2F)cc1F ZINC001176351055 1121612565 /nfs/dbraw/zinc/61/25/65/1121612565.db2.gz KLZKPDPSMOTIGC-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM Cc1c(F)ccc(N)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670253 1121671047 /nfs/dbraw/zinc/67/10/47/1121671047.db2.gz CDRSTCVWRIYDQY-UHFFFAOYSA-N -1 1 286.228 3.583 20 0 CHADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1O ZINC001176673705 1121672895 /nfs/dbraw/zinc/67/28/95/1121672895.db2.gz WZWRTNIVBGWLHY-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM O=C(NCCC[C@H]1C=CCC1)c1c([O-])cccc1Cl ZINC001176909580 1121702209 /nfs/dbraw/zinc/70/22/09/1121702209.db2.gz ARQXDDMBBHIBMX-NSHDSACASA-N -1 1 279.767 3.522 20 0 CHADMM CC(C)(CC(=O)[N-]Oc1ccccc1F)c1ccccc1 ZINC001177109849 1121713821 /nfs/dbraw/zinc/71/38/21/1121713821.db2.gz SJICFGPEOICHLP-UHFFFAOYSA-N -1 1 287.334 3.604 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(O)c2ccccc2c1 ZINC000526920802 1121726318 /nfs/dbraw/zinc/72/63/18/1121726318.db2.gz XFTWXPIZHSCWJS-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CC(C)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360362 1121804847 /nfs/dbraw/zinc/80/48/47/1121804847.db2.gz SQJXIEUTPJDYKL-UHFFFAOYSA-N -1 1 263.120 3.512 20 0 CHADMM Cc1nc(-c2nc(=O)c3c(CC(C)C)csc3[n-]2)co1 ZINC000345212418 1121858951 /nfs/dbraw/zinc/85/89/51/1121858951.db2.gz VBHXDHVMFZDJRS-UHFFFAOYSA-N -1 1 289.360 3.559 20 0 CHADMM CC(C)c1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)on1 ZINC001179660292 1121895711 /nfs/dbraw/zinc/89/57/11/1121895711.db2.gz OLQSEIBPPYPCNF-UHFFFAOYSA-N -1 1 298.701 3.548 20 0 CHADMM [O-]c1cc(Nc2cc(C(F)(F)F)no2)c(F)c(F)c1F ZINC001249957336 1121952904 /nfs/dbraw/zinc/95/29/04/1121952904.db2.gz CZQBIYPRMVPTPE-UHFFFAOYSA-N -1 1 298.142 3.560 20 0 CHADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000822388713 1121954417 /nfs/dbraw/zinc/95/44/17/1121954417.db2.gz WOUIQFPRRKUJIL-NWDGAFQWSA-N -1 1 299.370 3.512 20 0 CHADMM [O-]c1cc(Nc2scnc2C2CC2)c(F)c(F)c1F ZINC001249962220 1121966912 /nfs/dbraw/zinc/96/69/12/1121966912.db2.gz IXCVRAAFTBHREU-UHFFFAOYSA-N -1 1 286.278 3.887 20 0 CHADMM [O-]c1ccc(Cc2c(F)cccc2F)c(F)c1F ZINC001249987051 1122016281 /nfs/dbraw/zinc/01/62/81/1122016281.db2.gz WCMAAUOMIQFWLC-UHFFFAOYSA-N -1 1 256.198 3.539 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H](C(C)C)C(F)(F)F ZINC001225616300 1122030766 /nfs/dbraw/zinc/03/07/66/1122030766.db2.gz IBWXXPMHVVYLKB-GFCCVEGCSA-N -1 1 276.254 3.561 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)cc(O)cc2F)cc1Cl ZINC001250025983 1122092614 /nfs/dbraw/zinc/09/26/14/1122092614.db2.gz KMBUQEJROMOARQ-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM Cn1cnc2cccc(Nc3cc(Cl)c([O-])cc3F)c21 ZINC001250025910 1122092709 /nfs/dbraw/zinc/09/27/09/1122092709.db2.gz IGGNXOITSDOHHF-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM [O-]c1ccc(Cc2nc([C@H]3CCCS3)no2)cc1Cl ZINC000632077373 1129037924 /nfs/dbraw/zinc/03/79/24/1129037924.db2.gz PJAOEMQKHAOHGJ-LLVKDONJSA-N -1 1 296.779 3.588 20 0 CHADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC001183053983 1122203439 /nfs/dbraw/zinc/20/34/39/1122203439.db2.gz BGINVCAGKBGCLO-VIFPVBQESA-N -1 1 293.725 3.927 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](C2CCC2)C1 ZINC000620213389 1129042900 /nfs/dbraw/zinc/04/29/00/1129042900.db2.gz CKLDBYGKUNOKLA-LBPRGKRZSA-N -1 1 293.794 3.698 20 0 CHADMM O=c1nc(Cl)cc(Oc2ccc(Cl)c(Cl)c2)[n-]1 ZINC001184571662 1122284681 /nfs/dbraw/zinc/28/46/81/1122284681.db2.gz DEXNXVBFACLSNS-UHFFFAOYSA-N -1 1 291.521 3.935 20 0 CHADMM O=C(Nc1cccc2cc(O)ccc21)c1ccc([O-])c(F)c1 ZINC001186226041 1122380044 /nfs/dbraw/zinc/38/00/44/1122380044.db2.gz LGXHGDUPBGXYNB-UHFFFAOYSA-N -1 1 297.285 3.642 20 0 CHADMM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001186241766 1122380562 /nfs/dbraw/zinc/38/05/62/1122380562.db2.gz AZUOXLIYYZWUAR-BETUJISGSA-N -1 1 293.382 3.866 20 0 CHADMM Cc1cc2ccc(NC(=O)c3ccc([O-])cc3F)cc2[nH]1 ZINC001186329579 1122386357 /nfs/dbraw/zinc/38/63/57/1122386357.db2.gz SPHJYIAUNKRWCU-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM O=c1nc(Cl)cc(Oc2cncc(-c3ccccc3)c2)[n-]1 ZINC001186633029 1122402038 /nfs/dbraw/zinc/40/20/38/1122402038.db2.gz MHUNGPPOOHUPLV-UHFFFAOYSA-N -1 1 299.717 3.690 20 0 CHADMM O=C(Cc1ccc(Cl)c([O-])c1)c1cccs1 ZINC001250306753 1122484366 /nfs/dbraw/zinc/48/43/66/1122484366.db2.gz JLEWCUQPNCIFFA-UHFFFAOYSA-N -1 1 252.722 3.533 20 0 CHADMM Cc1cnc(SCCCC2CCCC2)[n-]c1=O ZINC000514950838 1122466609 /nfs/dbraw/zinc/46/66/09/1122466609.db2.gz PHCUAGUCFIYKSA-UHFFFAOYSA-N -1 1 252.383 3.553 20 0 CHADMM COc1ccc(Cc2c(F)ccc([O-])c2Cl)cc1 ZINC001250287002 1122474182 /nfs/dbraw/zinc/47/41/82/1122474182.db2.gz RNPYYSWFOZKLNM-UHFFFAOYSA-N -1 1 266.699 3.784 20 0 CHADMM Cc1ccc(F)c(CSc2nc(C)c(C)c(=O)[n-]2)c1F ZINC001189062063 1122488530 /nfs/dbraw/zinc/48/85/30/1122488530.db2.gz SSRGELRHOUFQOV-UHFFFAOYSA-N -1 1 296.342 3.678 20 0 CHADMM Cc1cnc(SCC/C=C/c2ccccc2)[n-]c1=O ZINC001189399446 1122500080 /nfs/dbraw/zinc/50/00/80/1122500080.db2.gz PXARPDQZUVVCLR-WEVVVXLNSA-N -1 1 272.373 3.686 20 0 CHADMM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1O ZINC000436586323 1122563899 /nfs/dbraw/zinc/56/38/99/1122563899.db2.gz STDYBTFUFXPVAJ-UHFFFAOYSA-N -1 1 285.343 3.782 20 0 CHADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1ccccc1[O-] ZINC000436681640 1122571583 /nfs/dbraw/zinc/57/15/83/1122571583.db2.gz NJGBRCNCMDIIDO-UHFFFAOYSA-N -1 1 290.322 3.707 20 0 CHADMM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])sn1 ZINC000436723785 1122576205 /nfs/dbraw/zinc/57/62/05/1122576205.db2.gz QWSUFZICGOWHLV-UHFFFAOYSA-N -1 1 276.361 3.533 20 0 CHADMM CC1(C)CC(Cc2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000436783191 1122582451 /nfs/dbraw/zinc/58/24/51/1122582451.db2.gz LCTJIVZIFLWCLW-UHFFFAOYSA-N -1 1 276.311 3.560 20 0 CHADMM CCc1ccc(C(=O)N(CC)c2ccccc2)c([O-])c1 ZINC000436794516 1122583278 /nfs/dbraw/zinc/58/32/78/1122583278.db2.gz BEYRMNDVVRCHAJ-UHFFFAOYSA-N -1 1 269.344 3.621 20 0 CHADMM CCc1ccc(C(=O)N(CC)c2cccc(C)c2)c([O-])c1 ZINC000436797476 1122584341 /nfs/dbraw/zinc/58/43/41/1122584341.db2.gz NVMRJGSXSUNKTG-UHFFFAOYSA-N -1 1 283.371 3.930 20 0 CHADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000436804489 1122584755 /nfs/dbraw/zinc/58/47/55/1122584755.db2.gz BHWGWDBCXDWZBN-JLHYYAGUSA-N -1 1 299.345 3.707 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)NC1CCCCCC1 ZINC001191268864 1122588247 /nfs/dbraw/zinc/58/82/47/1122588247.db2.gz UDCOGMJMQHRGDD-UHFFFAOYSA-N -1 1 284.306 3.515 20 0 CHADMM COc1ccc(-c2nc([C@@H](C)C(C)(C)C)no2)c([O-])c1 ZINC000436934681 1122596619 /nfs/dbraw/zinc/59/66/19/1122596619.db2.gz YLRDMPZGRCVRRG-SECBINFHSA-N -1 1 276.336 3.600 20 0 CHADMM C[C@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC001191823614 1122617700 /nfs/dbraw/zinc/61/77/00/1122617700.db2.gz UWJWBFVKXYBYKO-HOMQSWHASA-N -1 1 282.771 3.746 20 0 CHADMM Cc1ccc(F)c(-c2ccc(C(F)(F)F)cn2)c1[O-] ZINC001250450951 1122630239 /nfs/dbraw/zinc/63/02/39/1122630239.db2.gz UNBSLCSPKOGZLF-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM O=C(Nc1ccccc1C(F)F)c1cc([O-])cc(F)c1F ZINC001192664846 1122656176 /nfs/dbraw/zinc/65/61/76/1122656176.db2.gz HBHHOXSPEHLXJP-UHFFFAOYSA-N -1 1 299.223 3.860 20 0 CHADMM CCCC[C@H](C)NC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001193062411 1122672066 /nfs/dbraw/zinc/67/20/66/1122672066.db2.gz MLKJMAHLNAMSAO-QMMMGPOBSA-N -1 1 288.750 3.885 20 0 CHADMM CCCCOC(=O)Nc1cccc([O-])c1Br ZINC001193712429 1122713995 /nfs/dbraw/zinc/71/39/95/1122713995.db2.gz DDOVUIYMPWKTTG-UHFFFAOYSA-N -1 1 288.141 3.503 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)Oc1ccc(Cl)cc1 ZINC001194055574 1122744092 /nfs/dbraw/zinc/74/40/92/1122744092.db2.gz IQLFJXSBXXYDKA-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM CCCCCCOC(=O)Nc1c(F)cc([O-])cc1F ZINC001194188226 1122756364 /nfs/dbraw/zinc/75/63/64/1122756364.db2.gz PMUOHJKCGSKNIM-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM CSc1ccc([O-])c(-c2nc([C@@H](C)C3CC3)no2)c1 ZINC000664814948 1122858567 /nfs/dbraw/zinc/85/85/67/1122858567.db2.gz USJHVSCTPBLZED-QMMMGPOBSA-N -1 1 276.361 3.678 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1ccc([C@H](C)CC)cc1 ZINC001195449270 1122867902 /nfs/dbraw/zinc/86/79/02/1122867902.db2.gz NKYSUGHACNVCFR-SNVBAGLBSA-N -1 1 280.393 3.643 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2ccccc2F)cc1F ZINC001195776626 1122887798 /nfs/dbraw/zinc/88/77/98/1122887798.db2.gz KFKQOOQGGREATE-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc(F)cc1NC(=S)Nc1cccc(F)c1[O-] ZINC001195913075 1122897460 /nfs/dbraw/zinc/89/74/60/1122897460.db2.gz NORSKKBXJXNHLV-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM [O-]c1cccc(NC(=S)Nc2cccc(F)c2)c1Cl ZINC001197644500 1122963036 /nfs/dbraw/zinc/96/30/36/1122963036.db2.gz PXTYXWORBFQQDN-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc(Cl)ncc2[O-])cc1 ZINC001197904774 1122974787 /nfs/dbraw/zinc/97/47/87/1122974787.db2.gz DVBWSFFQLCJUST-UHFFFAOYSA-N -1 1 293.779 3.558 20 0 CHADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858714 1123013729 /nfs/dbraw/zinc/01/37/29/1123013729.db2.gz GRPNNEXQTMBCLT-UHFFFAOYSA-N -1 1 299.351 3.877 20 0 CHADMM Cc1cc(NC(=S)Nc2ccc(F)cc2[O-])ccc1F ZINC001201034540 1123071860 /nfs/dbraw/zinc/07/18/60/1123071860.db2.gz DWGNRBFZNKFRIX-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM CCc1ccc(C(=O)N2CCCc3ccccc32)c([O-])c1 ZINC000188381347 1123078560 /nfs/dbraw/zinc/07/85/60/1123078560.db2.gz HLHFNOCGHHIUSB-UHFFFAOYSA-N -1 1 281.355 3.548 20 0 CHADMM CC(C)N(CC(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000269220326 1129102867 /nfs/dbraw/zinc/10/28/67/1129102867.db2.gz NJSFVDVELCOWOA-UHFFFAOYSA-N -1 1 293.313 3.661 20 0 CHADMM O=C(Nc1ccccc1F)Nc1cccc([O-])c1Cl ZINC001202003066 1123169890 /nfs/dbraw/zinc/16/98/90/1123169890.db2.gz ZYJPRVLCEPBWTG-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM CC(C)N(C(=O)c1ccc([O-])cc1F)C1CC(C)(C)C1 ZINC000457071309 1123169898 /nfs/dbraw/zinc/16/98/98/1123169898.db2.gz JJCVOFKKNSVNMD-UHFFFAOYSA-N -1 1 279.355 3.571 20 0 CHADMM COc1ccccc1NC(=O)Nc1cccc([O-])c1Cl ZINC001202127199 1123177307 /nfs/dbraw/zinc/17/73/07/1123177307.db2.gz KPDYPFKMULJMCQ-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM CCOc1cc(C(=O)NC2CCCCC2)cc(Cl)c1[O-] ZINC000192971654 1123194322 /nfs/dbraw/zinc/19/43/22/1123194322.db2.gz YQKIFKZJCIMWSX-UHFFFAOYSA-N -1 1 297.782 3.507 20 0 CHADMM CCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000016853155 1123209764 /nfs/dbraw/zinc/20/97/64/1123209764.db2.gz RPEMSJGKGOKCAJ-UHFFFAOYSA-N -1 1 274.389 3.638 20 0 CHADMM COc1cc(-c2nc(CCC(C)C)no2)cc(Cl)c1[O-] ZINC000443082231 1123355791 /nfs/dbraw/zinc/35/57/91/1123355791.db2.gz APNYQFXZRCSBQV-UHFFFAOYSA-N -1 1 296.754 3.693 20 0 CHADMM CCc1nc(SCc2ccc(C)c(F)c2)[n-]c(=O)c1C ZINC000629185395 1123387753 /nfs/dbraw/zinc/38/77/53/1123387753.db2.gz ZVUBUGAYGQBTCT-UHFFFAOYSA-N -1 1 292.379 3.793 20 0 CHADMM CCc1[n-]n(-c2cccc3ncccc32)c(=O)c1C(C)C ZINC000634591284 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O=C([O-])/C=C\c1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000902129239 1129983243 /nfs/dbraw/zinc/98/32/43/1129983243.db2.gz FWWOIIUVKVNOHT-RXQFDZFGSA-N -1 1 297.354 3.618 20 0 CHADMM COC(=O)c1cc(F)cc(-c2cccc([O-])c2Cl)c1C ZINC001242802975 1130057082 /nfs/dbraw/zinc/05/70/82/1130057082.db2.gz UDYDJRAPSOXIKI-UHFFFAOYSA-N -1 1 294.709 3.947 20 0 CHADMM CC(C)Oc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243342432 1130388412 /nfs/dbraw/zinc/38/84/12/1130388412.db2.gz NEZAFXHOQJJEAS-UHFFFAOYSA-N -1 1 265.259 3.520 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(Oc2ccccc2)n1 ZINC001240694052 1130421125 /nfs/dbraw/zinc/42/11/25/1130421125.db2.gz NQUOOSRCOHOEQU-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM CC(C)(C)OC(=O)c1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240694277 1130421336 /nfs/dbraw/zinc/42/13/36/1130421336.db2.gz UQCHZSQMBSHSTC-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM Cc1nc2sccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693889 1130421637 /nfs/dbraw/zinc/42/16/37/1130421637.db2.gz GJLNTADATGYXGB-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccc(F)cc2)nn1 ZINC001240696028 1130422233 /nfs/dbraw/zinc/42/22/33/1130422233.db2.gz WTCRETXYWRGZHE-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(C2CCC2)nc2[nH]ccc21 ZINC001240696172 1130422461 /nfs/dbraw/zinc/42/24/61/1130422461.db2.gz FETUMGOYOXXQDA-UHFFFAOYSA-N -1 1 283.306 3.689 20 0 CHADMM Cn1cccc1-c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696808 1130423210 /nfs/dbraw/zinc/42/32/10/1130423210.db2.gz XYPHTWSVUOKCOP-UHFFFAOYSA-N -1 1 268.291 3.599 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(-c2cccnc2)n1 ZINC001240697629 1130423545 /nfs/dbraw/zinc/42/35/45/1130423545.db2.gz MTRQVXYGOAYGFT-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM COc1ccc(-c2ccnc(-c3ccc([O-])c(F)c3)n2)cc1 ZINC001240781766 1130468461 /nfs/dbraw/zinc/46/84/61/1130468461.db2.gz IJKJYXPJKYNFKY-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3cccs3)nn2)cc1F ZINC001240781789 1130469124 /nfs/dbraw/zinc/46/91/24/1130469124.db2.gz JACFXZNZYWGZGH-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM Cc1nc(-c2ccc([O-])c(F)c2)nc(C)c1CC(C)C ZINC001240786181 1130470262 /nfs/dbraw/zinc/47/02/62/1130470262.db2.gz PJGUOMGKSZSUAS-UHFFFAOYSA-N -1 1 274.339 3.804 20 0 CHADMM CC(C)C1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001137376568 1130534147 /nfs/dbraw/zinc/53/41/47/1130534147.db2.gz YRGCUKGMPKLURR-UHFFFAOYSA-N -1 1 293.382 3.724 20 0 CHADMM Cc1ccc(C(=O)[O-])cc1-c1cccc(CN(C)C)c1F ZINC001241005698 1130562145 /nfs/dbraw/zinc/56/21/45/1130562145.db2.gz PJSAWQAAJWTVCT-UHFFFAOYSA-N -1 1 287.334 3.561 20 0 CHADMM O=C([N-]c1ccccc1SC(F)(F)F)c1cnco1 ZINC000758959948 1130631767 /nfs/dbraw/zinc/63/17/67/1130631767.db2.gz QABBOMVATFFRHA-UHFFFAOYSA-N -1 1 288.250 3.539 20 0 CHADMM CCCCCCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992014 1130699512 /nfs/dbraw/zinc/69/95/12/1130699512.db2.gz OYROANBBLTUXQD-UHFFFAOYSA-N -1 1 285.771 3.581 20 0 CHADMM O=C(OCc1ccc(Cl)cc1F)c1ccc([O-])cc1F ZINC000781201457 1130709845 /nfs/dbraw/zinc/70/98/45/1130709845.db2.gz FZXKHRLTHPVQCI-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM Cc1nc2cccc(-c3ccc(C=CC(=O)[O-])cc3)c2[nH]1 ZINC001235532093 1130752202 /nfs/dbraw/zinc/75/22/02/1130752202.db2.gz QDPGYLBSMPEACV-JXMROGBWSA-N -1 1 278.311 3.636 20 0 CHADMM CSCc1ccnc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236393025 1130927004 /nfs/dbraw/zinc/92/70/04/1130927004.db2.gz SGCDGFKFAUJISE-UHFFFAOYSA-N -1 1 263.337 3.765 20 0 CHADMM C[C@H](C(=O)Nc1ccc(Br)c([O-])c1)C1CCC1 ZINC001324710749 1131025466 /nfs/dbraw/zinc/02/54/66/1131025466.db2.gz WKWAGNHFXBRSHI-QMMMGPOBSA-N -1 1 298.180 3.529 20 0 CHADMM Cc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1C ZINC001135587888 1131100252 /nfs/dbraw/zinc/10/02/52/1131100252.db2.gz HKXLEWWIRIMTOV-UHFFFAOYSA-N -1 1 289.762 3.844 20 0 CHADMM CCc1cc(=O)[n-]c(SCCSC2CCCCC2)n1 ZINC000799891421 1131112871 /nfs/dbraw/zinc/11/28/71/1131112871.db2.gz QJQUDOOZKDSWFO-UHFFFAOYSA-N -1 1 298.477 3.903 20 0 CHADMM C[C@@H](CN(C)C(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC001170848217 1131131679 /nfs/dbraw/zinc/13/16/79/1131131679.db2.gz 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/nfs/dbraw/zinc/47/19/82/1131471982.db2.gz KTQWIOBADGGJBQ-UHFFFAOYSA-N -1 1 291.366 3.590 20 0 CHADMM O=C(Nc1ccsc1)c1ccc2ccc(O)cc2c1[O-] ZINC001136947337 1131485753 /nfs/dbraw/zinc/48/57/53/1131485753.db2.gz BYUJJQZOTLSKMU-UHFFFAOYSA-N -1 1 285.324 3.565 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)CC1 ZINC001138507705 1131514781 /nfs/dbraw/zinc/51/47/81/1131514781.db2.gz LIMVOTKLQKCHRP-OLZOCXBDSA-N -1 1 293.382 3.866 20 0 CHADMM CCCO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000844084696 1131531055 /nfs/dbraw/zinc/53/10/55/1131531055.db2.gz XURDNUQUODCBJJ-QMMMGPOBSA-N -1 1 276.163 3.555 20 0 CHADMM O=C(Nc1ccc2ccccc2c1)c1ccc([O-])cc1F ZINC000226266669 1131605960 /nfs/dbraw/zinc/60/59/60/1131605960.db2.gz MJCRBSIIGNBMMD-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM CCc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001202940817 1131611512 /nfs/dbraw/zinc/61/15/12/1131611512.db2.gz XGKMWTGOHKJVFW-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CN(Cc1cccc(Cl)c1)Cc1cc(F)c([O-])cc1F ZINC001144666109 1131676265 /nfs/dbraw/zinc/67/62/65/1131676265.db2.gz GLIGBRAUKDGDQD-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CN(Cc1ccncc1[O-])Cc1c(Cl)cccc1Cl ZINC001140277078 1131687252 /nfs/dbraw/zinc/68/72/52/1131687252.db2.gz SRQRPNCALRZIFL-UHFFFAOYSA-N -1 1 297.185 3.726 20 0 CHADMM S=c1nc2cnccc2c(O[C@H]2CC3CCC2CC3)[n-]1 ZINC001227886190 1131758766 /nfs/dbraw/zinc/75/87/66/1131758766.db2.gz QYLZQDYTXCIAMM-ZPPKWKGLSA-N -1 1 287.388 3.645 20 0 CHADMM C[C@H]1CCC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227882596 1131758848 /nfs/dbraw/zinc/75/88/48/1131758848.db2.gz YEHUPBXUOHJUSK-VHSXEESVSA-N -1 1 275.377 3.645 20 0 CHADMM C[C@@H]1CCC[C@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227882598 1131759764 /nfs/dbraw/zinc/75/97/64/1131759764.db2.gz YEHUPBXUOHJUSK-ZJUUUORDSA-N -1 1 275.377 3.645 20 0 CHADMM CCCCN(C(=O)c1ccc([O-])cc1F)[C@H](C)CC ZINC000232385477 1131779954 /nfs/dbraw/zinc/77/99/54/1131779954.db2.gz AMOJDDMPVXZHDQ-LLVKDONJSA-N -1 1 267.344 3.572 20 0 CHADMM C/C(=C/C(=O)Nc1c([O-])cccc1F)c1cccs1 ZINC001146492214 1131788486 /nfs/dbraw/zinc/78/84/86/1131788486.db2.gz JWTUBZLHYZXWRK-HJWRWDBZSA-N -1 1 277.320 3.635 20 0 CHADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1F ZINC001146546063 1131792642 /nfs/dbraw/zinc/79/26/42/1131792642.db2.gz WYZCROOBKCCYCN-JSGCOSHPSA-N -1 1 299.345 3.550 20 0 CHADMM C[C@H](Oc1cc([O-])ccc1C(=O)c1ccccc1)C1CC1 ZINC001228182481 1131826556 /nfs/dbraw/zinc/82/65/56/1131826556.db2.gz FXSHNYNHYPNQDW-LBPRGKRZSA-N -1 1 282.339 3.801 20 0 CHADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001147538514 1131827851 /nfs/dbraw/zinc/82/78/51/1131827851.db2.gz OYSMVCQLHUYYJH-SMDDNHRTSA-N -1 1 279.355 3.572 20 0 CHADMM CC1(C)CCC[C@H]1CCNC(=O)c1c([O-])cccc1Cl ZINC001148522113 1131858202 /nfs/dbraw/zinc/85/82/02/1131858202.db2.gz BSNFFKQNHXEAHD-NSHDSACASA-N -1 1 295.810 3.992 20 0 CHADMM CC(C)N(C)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148860885 1131874625 /nfs/dbraw/zinc/87/46/25/1131874625.db2.gz ABLFYKWQXFUAOK-UHFFFAOYSA-N -1 1 269.344 3.540 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)CC(C)C ZINC001228557113 1131908591 /nfs/dbraw/zinc/90/85/91/1131908591.db2.gz UWMTVNRIDULLQU-JTQLQIEISA-N -1 1 266.337 3.504 20 0 CHADMM CCC1CCC(Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136204 1132024303 /nfs/dbraw/zinc/02/43/03/1132024303.db2.gz UDLHOUGLODOAGW-UHFFFAOYSA-N -1 1 288.343 3.846 20 0 CHADMM CC(C)C(Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229136285 1132024988 /nfs/dbraw/zinc/02/49/88/1132024988.db2.gz VKTZPNFPABQPPW-UHFFFAOYSA-N -1 1 276.332 3.558 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCC(F)(F)C1 ZINC001229475593 1132073470 /nfs/dbraw/zinc/07/34/70/1132073470.db2.gz AINGHZBMFHUIAN-SNVBAGLBSA-N -1 1 270.275 3.552 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)CC(C)C ZINC001229474857 1132073883 /nfs/dbraw/zinc/07/38/83/1132073883.db2.gz LGWSPQPFDSIEQX-LLVKDONJSA-N -1 1 250.338 3.798 20 0 CHADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc(F)c1 ZINC001141833730 1132254445 /nfs/dbraw/zinc/25/44/45/1132254445.db2.gz KOQYXZDWACAASB-MRVPVSSYSA-N -1 1 295.260 3.552 20 0 CHADMM CCC[C@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231200680 1132271138 /nfs/dbraw/zinc/27/11/38/1132271138.db2.gz SEIMBNMILHWDAP-LBPRGKRZSA-N -1 1 272.348 3.807 20 0 CHADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1CCCC[C@H]1F ZINC001231204748 1132271388 /nfs/dbraw/zinc/27/13/88/1132271388.db2.gz SWUUCLDZFBGLOZ-DGCLKSJQSA-N -1 1 288.322 3.509 20 0 CHADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)Cc2ccccc21 ZINC001231456411 1132296939 /nfs/dbraw/zinc/29/69/39/1132296939.db2.gz WYEAKBZGJRCKIA-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM Cc1cc([C@@H]2CCCN2Cc2ccc(Cl)c([O-])c2)no1 ZINC001231733446 1132349720 /nfs/dbraw/zinc/34/97/20/1132349720.db2.gz URGAOKRUDLBNHG-AWEZNQCLSA-N -1 1 292.766 3.679 20 0 CHADMM [O-]c1cc(CN2CCC[C@@H]2c2nccs2)ccc1Cl ZINC001231736679 1132352121 /nfs/dbraw/zinc/35/21/21/1132352121.db2.gz JRAZYPVJFDCNOS-GFCCVEGCSA-N -1 1 294.807 3.839 20 0 CHADMM Cc1nc(C(F)(F)F)c([N-]c2conc2C)s1 ZINC001212718566 1132452505 /nfs/dbraw/zinc/45/25/05/1132452505.db2.gz OHCJYZOMNSQBFA-UHFFFAOYSA-N -1 1 263.244 3.510 20 0 CHADMM [O-]c1c(F)ccc(CN2Cc3cccc(Cl)c3C2)c1F ZINC001232937366 1132544023 /nfs/dbraw/zinc/54/40/23/1132544023.db2.gz MHYCMBOSGYTESS-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM Cc1csc(NC(=O)c2cc3cccc(O)c3cc2[O-])c1 ZINC001149645361 1132545732 /nfs/dbraw/zinc/54/57/32/1132545732.db2.gz OTAXBMDTMJPPLZ-UHFFFAOYSA-N -1 1 299.351 3.873 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1ccc(F)c([O-])c1F ZINC001232930494 1132545917 /nfs/dbraw/zinc/54/59/17/1132545917.db2.gz ABXGLGMMVGTVQH-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM [O-]c1cc(CN2CCCC[C@H]2C(F)(F)F)cc(F)c1F ZINC001232971867 1132551955 /nfs/dbraw/zinc/55/19/55/1132551955.db2.gz QZKXWDXDDRNELU-NSHDSACASA-N -1 1 295.251 3.587 20 0 CHADMM [O-]c1cc(F)c(Nc2c(F)cccc2F)cc1F ZINC001173861763 1132563465 /nfs/dbraw/zinc/56/34/65/1132563465.db2.gz HTYNOMSYXOQOLC-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(F)c(F)c2)cc1F ZINC001173866701 1132569702 /nfs/dbraw/zinc/56/97/02/1132569702.db2.gz PQXHMJBLIROKHH-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM COCc1sccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151582296 1132571339 /nfs/dbraw/zinc/57/13/39/1132571339.db2.gz FERYUBLFQGUPBU-UHFFFAOYSA-N -1 1 297.763 3.506 20 0 CHADMM CCCOc1cccc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151771199 1132572753 /nfs/dbraw/zinc/57/27/53/1132572753.db2.gz DKUMDUHVBODWGJ-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM CSc1ccc(C)c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151773056 1132574024 /nfs/dbraw/zinc/57/40/24/1132574024.db2.gz XDZCRPKCJAAYSP-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM CC[C@@H](NC(=O)c1c([O-])ccc2ccccc21)C(F)(F)F ZINC001153509487 1132596159 /nfs/dbraw/zinc/59/61/59/1132596159.db2.gz DQLWYAKLGNBVGZ-GFCCVEGCSA-N -1 1 297.276 3.616 20 0 CHADMM CC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001173897795 1132601399 /nfs/dbraw/zinc/60/13/99/1132601399.db2.gz KBBXLAIYCLHILM-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(F)cc(F)c2)cc1F ZINC001173916167 1132611531 /nfs/dbraw/zinc/61/15/31/1132611531.db2.gz NKTSJIIAPMXFQG-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM O=C(NCc1ccc(C2CCC2)cc1)c1c([O-])cccc1F ZINC001154279694 1132611907 /nfs/dbraw/zinc/61/19/07/1132611907.db2.gz IMTKSDPTZGUGLI-UHFFFAOYSA-N -1 1 299.345 3.729 20 0 CHADMM NC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001174050032 1132687501 /nfs/dbraw/zinc/68/75/01/1132687501.db2.gz HVTKJTZHSZPORI-UHFFFAOYSA-N -1 1 297.141 3.542 20 0 CHADMM NC(=O)c1cccc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001174062039 1132689120 /nfs/dbraw/zinc/68/91/20/1132689120.db2.gz YBVFZAUZLAUDBH-UHFFFAOYSA-N -1 1 297.141 3.542 20 0 CHADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001174020565 1132693671 /nfs/dbraw/zinc/69/36/71/1132693671.db2.gz CCCMXLXMQJJWMT-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001174019862 1132693785 /nfs/dbraw/zinc/69/37/85/1132693785.db2.gz QCSOJXKZGXZTGW-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM CC(C)Oc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174113062 1132727627 /nfs/dbraw/zinc/72/76/27/1132727627.db2.gz QZANOCMWWHQTGH-UHFFFAOYSA-N -1 1 278.739 3.971 20 0 CHADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001157806134 1132744501 /nfs/dbraw/zinc/74/45/01/1132744501.db2.gz VKAVDQPJTQYTLS-UHFFFAOYSA-N -1 1 291.297 3.587 20 0 CHADMM [O-]c1cc(Nc2cccc(-n3cccn3)c2)cc(F)c1F ZINC001174301115 1132779932 /nfs/dbraw/zinc/77/99/32/1132779932.db2.gz XAGWURRMXJNBDB-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM COc1cc(Nc2c(Cl)ccc([O-])c2Cl)ccn1 ZINC001174306932 1132788139 /nfs/dbraw/zinc/78/81/39/1132788139.db2.gz CZEFBFGXHSFMDQ-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(C(F)(F)F)nc1 ZINC001174312149 1132790352 /nfs/dbraw/zinc/79/03/52/1132790352.db2.gz VVBHZJKCUYRNJU-UHFFFAOYSA-N -1 1 290.191 3.828 20 0 CHADMM CC1(C)CCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC001159219150 1132817759 /nfs/dbraw/zinc/81/77/59/1132817759.db2.gz MAGPUDYIDZWWJO-JTQLQIEISA-N -1 1 281.783 3.602 20 0 CHADMM CCC[C@@H](C(=O)[N-]OCC1CC1)c1ccc(Cl)cc1 ZINC001159405815 1132838135 /nfs/dbraw/zinc/83/81/35/1132838135.db2.gz UEHPLKSYENXRDT-CQSZACIVSA-N -1 1 281.783 3.682 20 0 CHADMM COc1ccc(F)c(F)c1Nc1c([O-])cc(F)cc1F ZINC001174424288 1132841462 /nfs/dbraw/zinc/84/14/62/1132841462.db2.gz QTRZXDIRXKFWRP-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COc1ccc(F)c(F)c1Nc1ccc(F)c(F)c1[O-] ZINC001174425433 1132843260 /nfs/dbraw/zinc/84/32/60/1132843260.db2.gz VUPKGVJMBJYRGA-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174530285 1132891668 /nfs/dbraw/zinc/89/16/68/1132891668.db2.gz YASRTENFYPVCTB-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM Nc1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)c1 ZINC001174482378 1132885695 /nfs/dbraw/zinc/88/56/95/1132885695.db2.gz INUOFPQMWPSKPA-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2[nH]ccc21 ZINC001174645749 1132938332 /nfs/dbraw/zinc/93/83/32/1132938332.db2.gz OPJTUWZWANDOBE-UHFFFAOYSA-N -1 1 259.696 3.666 20 0 CHADMM Cc1ccc(N)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001160338709 1132965107 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[O-]c1ccc(F)cc1-c1nc([C@H]2CCc3ccccc32)no1 ZINC000317283007 260166554 /nfs/dbraw/zinc/16/65/54/260166554.db2.gz RGPVEROTWBKZIG-ZDUSSCGKSA-N -1 1 296.301 3.659 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccc1F ZINC000085204571 260201958 /nfs/dbraw/zinc/20/19/58/260201958.db2.gz UJPRQQYSAJPJCA-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM CCc1ccc([C@@H](NCc2ccc(C)s2)C(=O)[O-])cc1 ZINC000426822393 260539424 /nfs/dbraw/zinc/53/94/24/260539424.db2.gz BTHSFLZDEWQAJV-OAHLLOKOSA-N -1 1 289.400 3.534 20 0 CHADMM C[C@@H](N(C)C(=O)c1cc2ccccc2cc1[O-])C1(C)CC1 ZINC000175608204 261236976 /nfs/dbraw/zinc/23/69/76/261236976.db2.gz RUUQWJJFFBSTEI-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000176090074 261265198 /nfs/dbraw/zinc/26/51/98/261265198.db2.gz CYSFNDHQSGJTCL-GJZGRUSLSA-N -1 1 295.382 3.808 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC2(CC2)C1 ZINC000184121330 262009815 /nfs/dbraw/zinc/00/98/15/262009815.db2.gz UYVBXRUVCDGQMN-UHFFFAOYSA-N -1 1 281.355 3.562 20 0 CHADMM CCn1c2ccccc2nc1[C@@H](C)[N-]c1nc(C(C)C)no1 ZINC000291039970 263119722 /nfs/dbraw/zinc/11/97/22/263119722.db2.gz ZULYHMYZWFVURY-LLVKDONJSA-N -1 1 299.378 3.736 20 0 CHADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012598 328389359 /nfs/dbraw/zinc/38/93/59/328389359.db2.gz VEOAGZUYPGZUGC-QWRGUYRKSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012597 328389485 /nfs/dbraw/zinc/38/94/85/328389485.db2.gz VEOAGZUYPGZUGC-MNOVXSKESA-N -1 1 265.328 3.686 20 0 CHADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506584802 332775023 /nfs/dbraw/zinc/77/50/23/332775023.db2.gz SAWKEWJWYPHENI-UHFFFAOYSA-N -1 1 281.402 3.672 20 0 CHADMM CCc1oc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000125213029 328715393 /nfs/dbraw/zinc/71/53/93/328715393.db2.gz JCDZAENXHUJVRT-UHFFFAOYSA-N -1 1 279.723 3.762 20 0 CHADMM CCn1c(C(=O)Nc2ccc(F)cc2[O-])cc2ccccc21 ZINC000532622118 328791890 /nfs/dbraw/zinc/79/18/90/328791890.db2.gz BUEZADORMUCOMA-UHFFFAOYSA-N -1 1 298.317 3.758 20 0 CHADMM [O-]c1c(-c2nc(CCC3CC3)no2)ccc2ccccc21 ZINC000395609915 329294563 /nfs/dbraw/zinc/29/45/63/329294563.db2.gz DGLNXDJZMRZPTL-UHFFFAOYSA-N -1 1 280.327 3.938 20 0 CHADMM [O-]c1cccc(CN(CC(F)F)CC2CCC2)c1Cl ZINC000509030786 332856732 /nfs/dbraw/zinc/85/67/32/332856732.db2.gz JZUQKGNLCKPWEZ-UHFFFAOYSA-N -1 1 289.753 3.913 20 0 CHADMM C[C@@H]1CC[C@H](c2noc(-c3ccc4ccccc4c3[O-])n2)O1 ZINC000398345168 329442502 /nfs/dbraw/zinc/44/25/02/329442502.db2.gz MJZWQYHVGGVWKE-QMTHXVAHSA-N -1 1 296.326 3.835 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1c(F)cccc1F ZINC000190916534 329554415 /nfs/dbraw/zinc/55/44/15/329554415.db2.gz NWFAVVACQQPIEO-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000571690511 329904713 /nfs/dbraw/zinc/90/47/13/329904713.db2.gz DJPXSIISVSNJKB-QMMMGPOBSA-N -1 1 282.315 3.973 20 0 CHADMM Cc1ccc(-c2ccc(CN(C)[C@@H](C)C(=O)[O-])s2)cc1 ZINC000263427594 330055214 /nfs/dbraw/zinc/05/52/14/330055214.db2.gz 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ZINC000436869984 330687084 /nfs/dbraw/zinc/68/70/84/330687084.db2.gz COHBMZMMJHJTRX-UHFFFAOYSA-N -1 1 288.278 3.965 20 0 CHADMM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872681 330687228 /nfs/dbraw/zinc/68/72/28/330687228.db2.gz NGMCBJCPFSCFHW-QPUJVOFHSA-N -1 1 296.754 3.829 20 0 CHADMM CC(C)[C@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436873909 330687290 /nfs/dbraw/zinc/68/72/90/330687290.db2.gz QXTLFQAAJVFQMP-MNOVXSKESA-N -1 1 278.739 3.855 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(C)C ZINC000436954416 330689625 /nfs/dbraw/zinc/68/96/25/330689625.db2.gz GOHKBKAHZXRQJU-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C ZINC000445477983 330829503 /nfs/dbraw/zinc/82/95/03/330829503.db2.gz FLXFHPJDSAPCSJ-MRVPVSSYSA-N -1 1 264.300 3.731 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3ccsc3)n2)cc1F ZINC000445483721 330829717 /nfs/dbraw/zinc/82/97/17/330829717.db2.gz UCFMJZNANXEJCD-DAFODLJHSA-N -1 1 288.303 3.813 20 0 CHADMM CC(=O)c1[n-]c(=N[C@@H](C)c2c(F)cccc2F)sc1C ZINC000450266421 330969413 /nfs/dbraw/zinc/96/94/13/330969413.db2.gz QRZLQHQUQUCXOM-ZETCQYMHSA-N -1 1 296.342 3.527 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C2CC2)c1 ZINC000452186315 331057455 /nfs/dbraw/zinc/05/74/55/331057455.db2.gz GBDSUAAZCYJFKT-LLVKDONJSA-N -1 1 299.345 3.900 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(C2CC2)c1 ZINC000452186316 331057457 /nfs/dbraw/zinc/05/74/57/331057457.db2.gz GBDSUAAZCYJFKT-NSHDSACASA-N -1 1 299.345 3.900 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C2CCC2)CCC1 ZINC000456006692 331182314 /nfs/dbraw/zinc/18/23/14/331182314.db2.gz ZWPLACUFDVNSSH-UHFFFAOYSA-N -1 1 279.767 3.955 20 0 CHADMM CC[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456780273 331203344 /nfs/dbraw/zinc/20/33/44/331203344.db2.gz BNSDRKLWEWNHNP-SECBINFHSA-N -1 1 271.307 3.681 20 0 CHADMM CC1(C)CCC(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456781895 331203576 /nfs/dbraw/zinc/20/35/76/331203576.db2.gz KAJUMZAADVKAIM-UHFFFAOYSA-N -1 1 283.318 3.825 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C[C@@H]1C ZINC000456782926 331203723 /nfs/dbraw/zinc/20/37/23/331203723.db2.gz KUSKCJBVGLPARZ-KXUCPTDWSA-N -1 1 283.318 3.681 20 0 CHADMM CC(C)(C)C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000457075889 331211578 /nfs/dbraw/zinc/21/15/78/331211578.db2.gz JDNTVSIZBWVHCJ-SNVBAGLBSA-N -1 1 297.345 3.569 20 0 CHADMM CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc(Cl)c1O ZINC000459339596 331276963 /nfs/dbraw/zinc/27/69/63/331276963.db2.gz CMZTVZPMGFQUEO-MNOVXSKESA-N -1 1 283.799 3.675 20 0 CHADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000166847310 331307615 /nfs/dbraw/zinc/30/76/15/331307615.db2.gz NHCBOSGWBZZBJB-MXWKQRLJSA-N -1 1 281.783 3.552 20 0 CHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000468521609 331436465 /nfs/dbraw/zinc/43/64/65/331436465.db2.gz GDIFGEQUYZTGIL-UHFFFAOYSA-N -1 1 293.363 3.750 20 0 CHADMM Cc1cccc(Cl)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000489047226 332039374 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334053647 /nfs/dbraw/zinc/05/36/47/334053647.db2.gz HUXDXBAXQFMJET-RXMQYKEDSA-N -1 1 292.248 3.727 20 0 CHADMM CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCCC1 ZINC000548401834 334154183 /nfs/dbraw/zinc/15/41/83/334154183.db2.gz PLLJPDDIVIHEOF-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000082194500 334223513 /nfs/dbraw/zinc/22/35/13/334223513.db2.gz UYEOYBAVAVEYRK-UHFFFAOYSA-N -1 1 289.762 3.844 20 0 CHADMM C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381502863 336066871 /nfs/dbraw/zinc/06/68/71/336066871.db2.gz JLABZEGFZRFYSW-QWRGUYRKSA-N -1 1 281.783 3.659 20 0 CHADMM CCN(CCC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000385952663 336163245 /nfs/dbraw/zinc/16/32/45/336163245.db2.gz VFNAJHYQPMHLQO-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM Cc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532267545 518187196 /nfs/dbraw/zinc/18/71/96/518187196.db2.gz YCEWYWDKFDGJBZ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM CC(C)(C)CCCCNC(=O)c1c(F)ccc([O-])c1F ZINC000289518894 518642617 /nfs/dbraw/zinc/64/26/17/518642617.db2.gz PFCGCSWKTGJDBW-UHFFFAOYSA-N -1 1 285.334 3.617 20 0 CHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000277545086 524604501 /nfs/dbraw/zinc/60/45/01/524604501.db2.gz ZVOAZADMHGVHLC-CQSZACIVSA-N -1 1 293.750 3.547 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCCS3)n2)c(F)c1 ZINC000278154041 526338350 /nfs/dbraw/zinc/33/83/50/526338350.db2.gz MICUVKWHNSCNHO-NSHDSACASA-N -1 1 280.324 3.540 20 0 CHADMM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccccc1Cl ZINC000235225615 601804192 /nfs/dbraw/zinc/80/41/92/601804192.db2.gz QHTCUPLCLIIHMJ-SECBINFHSA-N -1 1 295.791 3.951 20 0 CHADMM C[C@@H]1CCC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736262989 598352803 /nfs/dbraw/zinc/35/28/03/598352803.db2.gz OUQHJOJXOVSTPB-NXEZZACHSA-N -1 1 292.383 3.677 20 0 CHADMM CCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)c1ccc(F)cc1 ZINC000565780052 599848210 /nfs/dbraw/zinc/84/82/10/599848210.db2.gz NEXAYQCJRMKXTD-NSHDSACASA-N -1 1 291.322 3.700 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1c1ccco1 ZINC000738964780 600217161 /nfs/dbraw/zinc/21/71/61/600217161.db2.gz WUCIWDVKUTVROF-ZDUSSCGKSA-N -1 1 289.331 3.606 20 0 CHADMM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000571930747 600217885 /nfs/dbraw/zinc/21/78/85/600217885.db2.gz QRWYRKDSAZAXAP-CYBMUJFWSA-N -1 1 289.331 3.525 20 0 CHADMM Cc1cc(CN2CCCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000738381663 600218117 /nfs/dbraw/zinc/21/81/17/600218117.db2.gz AOSXEHBXFWKLMR-ZDUSSCGKSA-N -1 1 289.331 3.606 20 0 CHADMM CCCC[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000573808410 601118992 /nfs/dbraw/zinc/11/89/92/601118992.db2.gz KLPXPBGWWZTNFM-CQSZACIVSA-N -1 1 275.348 3.508 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CNC1(c2ccccc2)CCC1 ZINC000830375517 601411425 /nfs/dbraw/zinc/41/14/25/601411425.db2.gz OTUMIOLDNPTDKE-UHFFFAOYSA-N -1 1 299.370 3.709 20 0 CHADMM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000233897615 605066103 /nfs/dbraw/zinc/06/61/03/605066103.db2.gz GXOOSVJZPDPHIW-CQSZACIVSA-N -1 1 273.332 3.527 20 0 CHADMM CC(C)(NCc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000314056399 605830710 /nfs/dbraw/zinc/83/07/10/605830710.db2.gz RWBPFCJYMCHOJN-UHFFFAOYSA-N -1 1 287.334 3.549 20 0 CHADMM CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])cc1F ZINC000062755106 957610161 /nfs/dbraw/zinc/61/01/61/957610161.db2.gz AEXJYNJZXVQYMZ-UHFFFAOYSA-N -1 1 293.363 3.608 20 0 CHADMM CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000071380719 957720881 /nfs/dbraw/zinc/72/08/81/957720881.db2.gz FOCFIJAUIDBERZ-CYBMUJFWSA-N -1 1 293.750 3.872 20 0 CHADMM CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000071380898 957721130 /nfs/dbraw/zinc/72/11/30/957721130.db2.gz OIMNDXUPMUKRJR-CYBMUJFWSA-N -1 1 293.750 3.872 20 0 CHADMM CC(C)C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228162000 959997177 /nfs/dbraw/zinc/99/71/77/959997177.db2.gz GKMXRWDIJILSDA-MRXNPFEDSA-N -1 1 287.359 3.855 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000228162143 959997401 /nfs/dbraw/zinc/99/74/01/959997401.db2.gz QPXGHQSSJVFZPW-OAHLLOKOSA-N -1 1 273.332 3.527 20 0 CHADMM CC(C)C[N@@H+](C)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000049516199 1117758583 /nfs/dbraw/zinc/75/85/83/1117758583.db2.gz DNBFYYJZEBCZLG-UHFFFAOYSA-N -1 1 296.484 3.609 20 0 CHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000251630309 1125475974 /nfs/dbraw/zinc/47/59/74/1125475974.db2.gz DTGCXOJPCZKIAT-CKYFFXLPSA-N -1 1 281.783 3.600 20 0 CHADMM C[C@H](c1ccccc1F)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000315954748 963958184 /nfs/dbraw/zinc/95/81/84/963958184.db2.gz IRVBPAJBZPEXKH-MLGOLLRUSA-N -1 1 299.345 3.571 20 0 CHADMM CCc1cccc2cc(CN[C@H](CC(C)C)C(=O)[O-])oc21 ZINC000656565757 968718246 /nfs/dbraw/zinc/71/82/46/968718246.db2.gz SUDSVGDFYLCVLB-OAHLLOKOSA-N -1 1 289.375 3.584 20 0 CHADMM CC(C)c1[nH]c(CN2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001591912404 976343288 /nfs/dbraw/zinc/34/32/88/976343288.db2.gz MCXWPASQAMNBCI-WFASDCNBSA-N -1 1 290.407 3.601 20 0 CHADMM O=C([O-])/C=C\c1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000902087039 980726642 /nfs/dbraw/zinc/72/66/42/980726642.db2.gz IZIDFKQFIHWWIW-KTKRTIGZSA-N -1 1 297.354 3.546 20 0 CHADMM Cc1cc(CN[C@@]2(c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000902330001 980835283 /nfs/dbraw/zinc/83/52/83/980835283.db2.gz OLIKCEONRPRPPD-GOSISDBHSA-N -1 1 299.370 3.701 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594669139 986978033 /nfs/dbraw/zinc/97/80/33/986978033.db2.gz ZTJGSXOVPOOQDF-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C/C=C/C[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686097 987061595 /nfs/dbraw/zinc/06/15/95/987061595.db2.gz MYBZRATTZBMNII-HEKLCECKSA-N -1 1 294.420 3.581 20 0 CHADMM CC[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC001597291569 987379667 /nfs/dbraw/zinc/37/96/67/987379667.db2.gz MARAHEBWQHHUCD-SIFUEBAJSA-N -1 1 285.343 3.618 20 0 CHADMM CC(C)C[C@H](C(=O)[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001591119527 991788380 /nfs/dbraw/zinc/78/83/80/991788380.db2.gz FLHZPYHRHWAYST-HIFRSBDPSA-N -1 1 291.391 3.696 20 0 CHADMM C[C@@H](c1ccccc1F)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593717931 996237463 /nfs/dbraw/zinc/23/74/63/996237463.db2.gz VFOHYDOCMYXGTD-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cc(O)cc(Cl)c1 ZINC001176625227 1121664324 /nfs/dbraw/zinc/66/43/24/1121664324.db2.gz IXYMSYABQHGRID-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cc2)c1F ZINC001176669001 1121671386 /nfs/dbraw/zinc/67/13/86/1121671386.db2.gz BHKSBOUWSPCGQK-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CCOc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001250558306 1122751035 /nfs/dbraw/zinc/75/10/35/1122751035.db2.gz HAEIUHDGFIOEEQ-UHFFFAOYSA-N -1 1 250.244 3.736 20 0 CHADMM CCCCCCNC(=S)Nc1cc([O-])c(F)cc1F ZINC001200955038 1123068611 /nfs/dbraw/zinc/06/86/11/1123068611.db2.gz UFTXJSUJRQIJPL-UHFFFAOYSA-N -1 1 288.363 3.537 20 0 CHADMM [O-]c1cc(NC2=CCSCC2)c(F)cc1Cl ZINC001201342066 1123090188 /nfs/dbraw/zinc/09/01/88/1123090188.db2.gz JUHPXSQNSHQCPI-UHFFFAOYSA-N -1 1 259.733 3.617 20 0 CHADMM C[C@H]1CCN(Cc2c(F)cc([O-])cc2F)CCC1(F)F ZINC001144542213 1131653178 /nfs/dbraw/zinc/65/31/78/1131653178.db2.gz STXDHLYSVFYJFE-VIFPVBQESA-N -1 1 291.288 3.538 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)[C@H](C)CC ZINC001229475386 1132072357 /nfs/dbraw/zinc/07/23/57/1132072357.db2.gz VUEHWRDITHBJAI-MNOVXSKESA-N -1 1 250.338 3.798 20 0 CHADMM [O-]c1cc(CN2CCCC(F)(F)[C@H](F)C2)ccc1Cl ZINC001231732786 1132349997 /nfs/dbraw/zinc/34/99/97/1132349997.db2.gz GAHFIFJHEWNFAP-GFCCVEGCSA-N -1 1 293.716 3.615 20 0 CHADMM Cc1cc(O)cc(C)c1Nc1cc(F)c([O-])cc1F ZINC001215574473 1134645546 /nfs/dbraw/zinc/64/55/46/1134645546.db2.gz VAYBKMFNGLPALA-UHFFFAOYSA-N -1 1 265.259 3.736 20 0 CHADMM C[C@H]1CC[C@@H](COc2cc(Cl)c([O-])cc2Cl)O1 ZINC001227641147 1135852134 /nfs/dbraw/zinc/85/21/34/1135852134.db2.gz KUGQBLYUUJGGLG-YUMQZZPRSA-N -1 1 277.147 3.645 20 0 CHADMM Cc1cccc(NC(=O)Nc2ccc(F)cc2[O-])c1C ZINC001202701191 1125518718 /nfs/dbraw/zinc/51/87/18/1125518718.db2.gz VYWBCDBCSZJUAY-UHFFFAOYSA-N -1 1 274.295 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293.417 3.636 20 0 CHADMM CC[C@@H](C)N(CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000036819330 1126815311 /nfs/dbraw/zinc/81/53/11/1126815311.db2.gz ZKEBRTRWQGXMAQ-GFCCVEGCSA-N -1 1 271.360 3.806 20 0 CHADMM Cc1cc(CN[C@H](CC(=O)[O-])c2ccccc2F)cs1 ZINC000904045600 1126824138 /nfs/dbraw/zinc/82/41/38/1126824138.db2.gz JVHWFBBGEBUNIN-CQSZACIVSA-N -1 1 293.363 3.501 20 0 CHADMM CCCCCC(=O)Nc1cccc([O-])c1Br ZINC000908715128 1127012933 /nfs/dbraw/zinc/01/29/33/1127012933.db2.gz OEZBOUOBZMUFHK-UHFFFAOYSA-N -1 1 286.169 3.674 20 0 CHADMM CC[C@H](C)CC(=O)Nc1cccc([O-])c1Br ZINC000908711159 1127013414 /nfs/dbraw/zinc/01/34/14/1127013414.db2.gz YMDMCIHZUVYIBZ-QMMMGPOBSA-N -1 1 286.169 3.529 20 0 CHADMM C[Si](C)(C)CCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909987126 1127043139 /nfs/dbraw/zinc/04/31/39/1127043139.db2.gz JCZBPFYISWTWEO-UHFFFAOYSA-N -1 1 287.382 3.727 20 0 CHADMM Cc1ccc([C@H]2CCC[N@H+]2Cc2occc2C(=O)[O-])cc1 ZINC000572008435 1127191429 /nfs/dbraw/zinc/19/14/29/1127191429.db2.gz WTXVAKVMRMEROD-OAHLLOKOSA-N 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HEUHJLWPNCLBNQ-GWCFXTLKSA-N -1 1 277.339 3.708 20 0 CHADMM CC(C)C[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608367093 1127862831 /nfs/dbraw/zinc/86/28/31/1127862831.db2.gz UCSCQZUQAVBALO-JTQLQIEISA-N -1 1 253.317 3.542 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(C(F)F)cc1 ZINC000608366729 1127863212 /nfs/dbraw/zinc/86/32/12/1127863212.db2.gz WTSAQFSZYAZZJW-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000308352403 1127904487 /nfs/dbraw/zinc/90/44/87/1127904487.db2.gz DJHLMANYQYJAMT-ZETCQYMHSA-N -1 1 296.219 3.740 20 0 CHADMM CCN(Cc1occc1C)C(=O)c1ccc(Cl)cc1[O-] ZINC000412795152 1127927343 /nfs/dbraw/zinc/92/73/43/1127927343.db2.gz KMJIDPRJEQUUJG-UHFFFAOYSA-N -1 1 293.750 3.609 20 0 CHADMM CCC(CC)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000539839993 1127947157 /nfs/dbraw/zinc/94/71/57/1127947157.db2.gz PCCBTMJFUMWPCG-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(F)cc1[O-] ZINC000468423056 1128007310 /nfs/dbraw/zinc/00/73/10/1128007310.db2.gz HZZAXLAJSZZRCI-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM CCCCCN(C(=O)c1ncccc1[O-])[C@H](C)CCC ZINC000495120100 1128234897 /nfs/dbraw/zinc/23/48/97/1128234897.db2.gz MJGFCJHLUZJPDR-CYBMUJFWSA-N -1 1 278.396 3.608 20 0 CHADMM COc1cccc([C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000561815343 1128354787 /nfs/dbraw/zinc/35/47/87/1128354787.db2.gz SJMJCQXHTKTMJP-NSHDSACASA-N -1 1 290.388 3.661 20 0 CHADMM CCCC1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000561953453 1128364694 /nfs/dbraw/zinc/36/46/94/1128364694.db2.gz SKGRRHASPNFAME-UHFFFAOYSA-N -1 1 297.345 3.759 20 0 CHADMM CC(C)c1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)CCC2 ZINC000763225841 1128383115 /nfs/dbraw/zinc/38/31/15/1128383115.db2.gz URIWOTUKYHTQJF-CYBMUJFWSA-N -1 1 285.309 3.866 20 0 CHADMM C[C@@H]1CC[C@H](C(=O)Nc2c([O-])cccc2F)C[C@@H]1C ZINC000648940665 1128387094 /nfs/dbraw/zinc/38/70/94/1128387094.db2.gz YHXPDSXSBSWAEO-VWYCJHECSA-N -1 1 265.328 3.542 20 0 CHADMM O=C(C[C@@H]1CC=CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000935021070 1128476889 /nfs/dbraw/zinc/47/68/89/1128476889.db2.gz PEOGZEHLRNPACT-SNVBAGLBSA-N -1 1 265.740 3.731 20 0 CHADMM CCN(Cc1occc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000566358117 1128542550 /nfs/dbraw/zinc/54/25/50/1128542550.db2.gz QYLRPFWNXZWSAT-UHFFFAOYSA-N -1 1 293.750 3.653 20 0 CHADMM Cc1cnc(S[C@H]2CCCc3ccc(F)cc32)[n-]c1=O ZINC000568416039 1128584406 /nfs/dbraw/zinc/58/44/06/1128584406.db2.gz LIRKAOHXAAXBNA-ZDUSSCGKSA-N -1 1 290.363 3.799 20 0 CHADMM O=c1cc(C(F)F)nc(SC/C=C\c2ccccc2)[n-]1 ZINC000568684082 1128589844 /nfs/dbraw/zinc/58/98/44/1128589844.db2.gz RONMUOWKVUDUJU-DAXSKMNVSA-N -1 1 294.326 3.925 20 0 CHADMM Cc1ccccc1C(C)(C)NC(=O)c1cc(F)ccc1[O-] ZINC000622620701 1117747851 /nfs/dbraw/zinc/74/78/51/1117747851.db2.gz YCAFAYXMIWSACJ-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccsc1 ZINC000061367956 1117754960 /nfs/dbraw/zinc/75/49/60/1117754960.db2.gz INJHTOBWRWWBAR-MRVPVSSYSA-N -1 1 281.764 3.598 20 0 CHADMM Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1F ZINC001210037570 1118140246 /nfs/dbraw/zinc/14/02/46/1118140246.db2.gz STUJVDVQJGYMIO-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@H](c1ccccc1)C1CC1 ZINC001648850266 1118255058 /nfs/dbraw/zinc/25/50/58/1118255058.db2.gz DXOPATXAPTUHIP-OAHLLOKOSA-N -1 1 285.318 3.664 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000616101740 1128775625 /nfs/dbraw/zinc/77/56/25/1128775625.db2.gz UFCZIQIIWPACDX-IWIIMEHWSA-N -1 1 295.329 3.825 20 0 CHADMM CSc1ccc(C)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000089541345 1118436676 /nfs/dbraw/zinc/43/66/76/1118436676.db2.gz MBNUAVCKEBQTTO-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM Cc1c(-c2ccccc2)[n-]n(C2CCCCCC2)c1=O ZINC000128143675 1118439862 /nfs/dbraw/zinc/43/98/62/1118439862.db2.gz LLPRTECUZQQKJR-CYBMUJFWSA-N -1 1 270.376 3.592 20 0 CHADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])C1CCC1 ZINC000398173576 1118496164 /nfs/dbraw/zinc/49/61/64/1118496164.db2.gz LVMYOKORRKXNNN-UHFFFAOYSA-N -1 1 283.371 3.854 20 0 CHADMM Nc1cc(Cl)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215577284 1118530609 /nfs/dbraw/zinc/53/06/09/1118530609.db2.gz YLKGCAQRYHCYEI-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM CCc1cccc2cc(C[N-]c3nnc(C(F)F)o3)oc21 ZINC000656773131 1118654377 /nfs/dbraw/zinc/65/43/77/1118654377.db2.gz QSUKKUJKKNZKFF-UHFFFAOYSA-N -1 1 293.273 3.928 20 0 CHADMM [O-]c1cccc(-c2nc(-c3ccccc3Cl)no2)c1F ZINC001215984242 1118674607 /nfs/dbraw/zinc/67/46/07/1118674607.db2.gz MLSWUNZPPPLYHF-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000684471132 1118742937 /nfs/dbraw/zinc/74/29/37/1118742937.db2.gz RSKHEIOECZCVEH-MNOVXSKESA-N -1 1 265.328 3.686 20 0 CHADMM O=C(NCCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000015783397 1118762431 /nfs/dbraw/zinc/76/24/31/1118762431.db2.gz JAWYORKTOUEUAS-UHFFFAOYSA-N -1 1 291.350 3.518 20 0 CHADMM CSc1cc(F)ccc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000892294641 1119186594 /nfs/dbraw/zinc/18/65/94/1119186594.db2.gz LRKITDVWOVKJIM-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM COc1cccc(C)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213379277 1119313337 /nfs/dbraw/zinc/31/33/37/1119313337.db2.gz KPKJKELLAFDRGM-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM Cc1ccc(CCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000583528160 1119373151 /nfs/dbraw/zinc/37/31/51/1119373151.db2.gz HJSLFGBJWOPOSH-UHFFFAOYSA-N -1 1 296.342 3.763 20 0 CHADMM [O-]c1ccc(-c2noc(C3(C(F)F)CCCC3)n2)cc1F ZINC000685366100 1119599494 /nfs/dbraw/zinc/59/94/94/1119599494.db2.gz PLLGGFVKFUZLMA-UHFFFAOYSA-N -1 1 298.264 3.658 20 0 CHADMM COc1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000381449398 1119639367 /nfs/dbraw/zinc/63/93/67/1119639367.db2.gz XXIKZDAVYOANGK-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CC12CC2 ZINC000628233527 1119659142 /nfs/dbraw/zinc/65/91/42/1119659142.db2.gz IEJIGSWUNJYHAC-NSHDSACASA-N -1 1 287.746 3.937 20 0 CHADMM Cc1cc(CN[C@@H]2CCCc3sccc32)oc1C(=O)[O-] ZINC000235972891 1119839277 /nfs/dbraw/zinc/83/92/77/1119839277.db2.gz QUAVOUPKPYZWFL-GFCCVEGCSA-N -1 1 291.372 3.515 20 0 CHADMM CC[C@](C)(OC)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000289821756 1119883539 /nfs/dbraw/zinc/88/35/39/1119883539.db2.gz BETXCRLISRTHPL-KRWDZBQOSA-N -1 1 298.342 3.867 20 0 CHADMM COc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000190812126 1128882714 /nfs/dbraw/zinc/88/27/14/1128882714.db2.gz FFIHUXOTGNYRIH-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1CCC(C2CC2)CC1 ZINC000628960752 1128888438 /nfs/dbraw/zinc/88/84/38/1128888438.db2.gz ZPQCALRJTZFLLM-UHFFFAOYSA-N -1 1 277.339 3.686 20 0 CHADMM COCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000623021052 1120087589 /nfs/dbraw/zinc/08/75/89/1120087589.db2.gz CYFRBPBGSOMIIU-UHFFFAOYSA-N -1 1 297.782 3.581 20 0 CHADMM C#Cc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190929801 1128891244 /nfs/dbraw/zinc/89/12/44/1128891244.db2.gz FHBOTRXKBDAVQI-UHFFFAOYSA-N -1 1 286.718 3.671 20 0 CHADMM CCC1(CC)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000314420745 1120198330 /nfs/dbraw/zinc/19/83/30/1120198330.db2.gz ARMKYPLMBWNGMX-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM CCc1nc(S[C@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000629185293 1128901034 /nfs/dbraw/zinc/90/10/34/1128901034.db2.gz YZGKDUDNWLPXFE-SKDRFNHKSA-N -1 1 266.410 3.724 20 0 CHADMM CC(C)CCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC001625894412 1120247573 /nfs/dbraw/zinc/24/75/73/1120247573.db2.gz WYDBFNOKOWLSTQ-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2c(c1)CCO2 ZINC000191064516 1128901901 /nfs/dbraw/zinc/90/19/01/1128901901.db2.gz BLLDCPYVZSCBTA-UHFFFAOYSA-N -1 1 293.725 3.732 20 0 CHADMM CC(C)(C)C[C@@H]([N-]C(=O)C(C)(Cl)Cl)C(F)(F)F ZINC000180489585 1120276222 /nfs/dbraw/zinc/27/62/22/1120276222.db2.gz NWELZVJIEDCXSE-ZCFIWIBFSA-N -1 1 294.144 3.664 20 0 CHADMM COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[O-] ZINC000019838167 1120528782 /nfs/dbraw/zinc/52/87/82/1120528782.db2.gz INGYOMPXAALQHL-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCCC1 ZINC000019837517 1120529289 /nfs/dbraw/zinc/52/92/89/1120529289.db2.gz YULDVKCYQBITRU-UHFFFAOYSA-N -1 1 269.344 3.562 20 0 CHADMM CCCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000509171069 1120693377 /nfs/dbraw/zinc/69/33/77/1120693377.db2.gz UYZAOWITYQYVIB-UHFFFAOYSA-N -1 1 267.756 3.955 20 0 CHADMM COc1c(F)cc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001211684757 1120876085 /nfs/dbraw/zinc/87/60/85/1120876085.db2.gz RGZXPFZTQXKBQX-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccccc21 ZINC000005605113 1121015262 /nfs/dbraw/zinc/01/52/62/1121015262.db2.gz HUTBOCWPTZCYKE-UHFFFAOYSA-N -1 1 289.334 3.748 20 0 CHADMM [O-]c1cc(Nc2cccc3ncccc32)cc(F)c1F ZINC001174908647 1121089355 /nfs/dbraw/zinc/08/93/55/1121089355.db2.gz ICRWVXQRSDCMFH-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000085060513 1121090503 /nfs/dbraw/zinc/09/05/03/1121090503.db2.gz DTGCXOJPCZKIAT-SCVCMEIPSA-N -1 1 281.783 3.600 20 0 CHADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(F)c1F ZINC001175028214 1121149677 /nfs/dbraw/zinc/14/96/77/1121149677.db2.gz SIFATIMMMLUEIH-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCOc1cc([N-]c2nnc(-c3ccco3)o2)ccc1F ZINC001175049110 1121160175 /nfs/dbraw/zinc/16/01/75/1121160175.db2.gz YMAOZEPSYMMQJL-UHFFFAOYSA-N -1 1 289.266 3.611 20 0 CHADMM CC(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001175181838 1121220336 /nfs/dbraw/zinc/22/03/36/1121220336.db2.gz YYEUOEUFMDVYJW-UHFFFAOYSA-N -1 1 261.708 3.992 20 0 CHADMM CSc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000112404849 1121252359 /nfs/dbraw/zinc/25/23/59/1121252359.db2.gz HCGFCVABVKQFLP-UHFFFAOYSA-N -1 1 283.736 3.613 20 0 CHADMM CC(=O)c1ccccc1Nc1c(F)ccc([O-])c1F ZINC001175268086 1121269148 /nfs/dbraw/zinc/26/91/48/1121269148.db2.gz GXAIEPNSDRNCRH-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM O=C1CCc2cccc(Nc3c(F)ccc([O-])c3F)c21 ZINC001175267620 1121269746 /nfs/dbraw/zinc/26/97/46/1121269746.db2.gz CPXWBSQEZQRREC-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CC(=O)c1ccc(C)cc1Nc1c(F)ccc([O-])c1F ZINC001175270035 1121270813 /nfs/dbraw/zinc/27/08/13/1121270813.db2.gz SYMXOAMWGNRDEA-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1 ZINC001175323581 1121281876 /nfs/dbraw/zinc/28/18/76/1121281876.db2.gz BDJHABVZZDKVAG-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM O=C(Cc1ccc([O-])c(Cl)c1)N(C1CC1)C1CCCC1 ZINC000630924892 1128975724 /nfs/dbraw/zinc/97/57/24/1128975724.db2.gz XTVAHCHSKKSABR-UHFFFAOYSA-N -1 1 293.794 3.522 20 0 CHADMM c1cc2cccc([N-]c3nonc3C3CC3)c2s1 ZINC001175378213 1121307647 /nfs/dbraw/zinc/30/76/47/1121307647.db2.gz WLIGLZOVRKEAGG-UHFFFAOYSA-N -1 1 257.318 3.905 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccnc1Cl ZINC000192207320 1128976880 /nfs/dbraw/zinc/97/68/80/1128976880.db2.gz QDKMTYABVMWHJI-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM Brc1ccc2c(c1)onc2[N-]c1cncs1 ZINC001175496202 1121343840 /nfs/dbraw/zinc/34/38/40/1121343840.db2.gz WZVZCXXZOCNIGX-UHFFFAOYSA-N -1 1 296.149 3.790 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cncs1 ZINC001175497652 1121345273 /nfs/dbraw/zinc/34/52/73/1121345273.db2.gz FLZWWXFLRPGOBM-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM CC[C@H](C)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024464 1128979159 /nfs/dbraw/zinc/97/91/59/1128979159.db2.gz UPLJPFSNZOCRKS-QMMMGPOBSA-N -1 1 252.383 3.506 20 0 CHADMM O=C(Cc1ccc(F)cc1Cl)Nc1c([O-])cccc1F ZINC000676051304 1121397609 /nfs/dbraw/zinc/39/76/09/1121397609.db2.gz UWUYMZNDVXUQCU-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM CC(F)(F)CCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000922916011 1121488067 /nfs/dbraw/zinc/48/80/67/1121488067.db2.gz YALHBXYGLWOPQI-UHFFFAOYSA-N -1 1 292.709 3.567 20 0 CHADMM COc1ccc(-c2cc([N-]c3cscn3)on2)cc1 ZINC001175937507 1121488973 /nfs/dbraw/zinc/48/89/73/1121488973.db2.gz JVXKPUOMDDABRP-UHFFFAOYSA-N -1 1 273.317 3.550 20 0 CHADMM COc1cc([N-]c2nc(C(C)(C)C)ns2)c(F)cc1F ZINC001176106451 1121550905 /nfs/dbraw/zinc/55/09/05/1121550905.db2.gz DDBGWGQVAKZZES-UHFFFAOYSA-N -1 1 299.346 3.866 20 0 CHADMM CC[C@@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773567709 1121603654 /nfs/dbraw/zinc/60/36/54/1121603654.db2.gz WNPNVELOVAFYDZ-OAHLLOKOSA-N -1 1 274.291 3.839 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1c(F)cc(F)c(F)c1F ZINC001176349520 1121611296 /nfs/dbraw/zinc/61/12/96/1121611296.db2.gz JJPOUMOCZOMZDA-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1c(F)cc(F)c(F)c1F ZINC001176349355 1121611394 /nfs/dbraw/zinc/61/13/94/1121611394.db2.gz USLFLWQYGCEUQN-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000773572587 1121618566 /nfs/dbraw/zinc/61/85/66/1121618566.db2.gz JCUONAKXXSUEEE-VIFPVBQESA-N -1 1 278.254 3.588 20 0 CHADMM CC(=O)c1c(C)cc(NC(=O)c2cc(C)ccc2[O-])cc1C ZINC001176406708 1121625884 /nfs/dbraw/zinc/62/58/84/1121625884.db2.gz AYMSZSIWDAPELX-UHFFFAOYSA-N -1 1 297.354 3.772 20 0 CHADMM CC(C)Oc1cc(Nc2ccc(F)c(F)c2[O-])c(F)cn1 ZINC001176483383 1121637153 /nfs/dbraw/zinc/63/71/53/1121637153.db2.gz CJMVWDAVZOFANR-UHFFFAOYSA-N -1 1 298.264 3.735 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccccc1Cl ZINC001176552849 1121653980 /nfs/dbraw/zinc/65/39/80/1121653980.db2.gz OKGFJMSLKTWWPC-UHFFFAOYSA-N -1 1 255.104 3.838 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(C(C)(C)C)n1 ZINC001176664414 1121671076 /nfs/dbraw/zinc/67/10/76/1121671076.db2.gz YKMGMKVKYSTDDZ-UHFFFAOYSA-N -1 1 299.296 3.813 20 0 CHADMM COc1ccc(OC)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670196 1121671600 /nfs/dbraw/zinc/67/16/00/1121671600.db2.gz UIPABLIIXDFQRY-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2c(F)cc(F)cc2F)c1F ZINC001176672106 1121672557 /nfs/dbraw/zinc/67/25/57/1121672557.db2.gz TZCQAQAQQHYZFY-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM C[C@@H](O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671698 1121672809 /nfs/dbraw/zinc/67/28/09/1121672809.db2.gz LYVFWTPXOIORJD-SSDOTTSWSA-N -1 1 283.249 3.606 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Cl)cc2O)c1F ZINC001176673299 1121672990 /nfs/dbraw/zinc/67/29/90/1121672990.db2.gz RZYCMLNAIQSMKY-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(O)c(F)cc2F)c1F ZINC001176672453 1121673502 /nfs/dbraw/zinc/67/35/02/1121673502.db2.gz WHAFUABJVMBVMQ-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(OC)c1 ZINC001176672856 1121673575 /nfs/dbraw/zinc/67/35/75/1121673575.db2.gz LVIOSFKXAXNIBN-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM Cc1cn(-c2c(F)cc(F)c([O-])c2F)c2cccc(N)c12 ZINC001176673763 1121673577 /nfs/dbraw/zinc/67/35/77/1121673577.db2.gz KMMHIJDANRUZDJ-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)c(C)cc1O ZINC001176671382 1121673773 /nfs/dbraw/zinc/67/37/73/1121673773.db2.gz BRRTUTTYAOYVMD-UHFFFAOYSA-N -1 1 283.249 3.876 20 0 CHADMM CC1(C)CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993145 1121706136 /nfs/dbraw/zinc/70/61/36/1121706136.db2.gz CSGMWOLCUWRYQK-GFCCVEGCSA-N -1 1 295.810 3.878 20 0 CHADMM CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001150742833 1121756149 /nfs/dbraw/zinc/75/61/49/1121756149.db2.gz CMDRNWNKIGSPPW-ZDUSSCGKSA-N -1 1 293.382 3.962 20 0 CHADMM CO[C@H](C)c1nc(=NCC[C@H](C)CC(C)(C)C)s[n-]1 ZINC000509921307 1121797237 /nfs/dbraw/zinc/79/72/37/1121797237.db2.gz YBQSTWQHXDRJTP-WDEREUQCSA-N -1 1 285.457 3.542 20 0 CHADMM CC(=O)c1ccc([O-])cc1OC1CC(C)(C)OC(C)(C)C1 ZINC001225618672 1122035618 /nfs/dbraw/zinc/03/56/18/1122035618.db2.gz IHVYTZFWFULPPX-UHFFFAOYSA-N -1 1 292.375 3.710 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(Cl)c(O)cc1F ZINC001250023339 1122085336 /nfs/dbraw/zinc/08/53/36/1122085336.db2.gz JFEKGQAUDDOEQM-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(CO)ccc2F)cc1Cl ZINC001250023919 1122085381 /nfs/dbraw/zinc/08/53/81/1122085381.db2.gz IGLOCIBIAHZNKR-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccc(Cl)cc1 ZINC001183053979 1122203521 /nfs/dbraw/zinc/20/35/21/1122203521.db2.gz BGINVCAGKBGCLO-SECBINFHSA-N -1 1 293.725 3.927 20 0 CHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000031665403 1122293832 /nfs/dbraw/zinc/29/38/32/1122293832.db2.gz AXUPXXJDSVTXTL-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CC(C)Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185390151 1122336264 /nfs/dbraw/zinc/33/62/64/1122336264.db2.gz FEZVNCJJWULWTM-UHFFFAOYSA-N -1 1 295.429 3.747 20 0 CHADMM Nc1cccc2cccc(NC(=O)c3ccc([O-])cc3F)c12 ZINC001186329291 1122386258 /nfs/dbraw/zinc/38/62/58/1122386258.db2.gz OSVOQECEZBUHON-UHFFFAOYSA-N -1 1 296.301 3.519 20 0 CHADMM Cc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1F ZINC001187986251 1122449158 /nfs/dbraw/zinc/44/91/58/1122449158.db2.gz YTHYERRPKYYWQF-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1nc(S[C@@H]2CCc3ccc(F)cc32)[n-]c(=O)c1C ZINC001189060924 1122486970 /nfs/dbraw/zinc/48/69/70/1122486970.db2.gz ITSACGOHFOAXRH-CYBMUJFWSA-N -1 1 290.363 3.718 20 0 CHADMM CC(C)(C)C(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436520217 1122556907 /nfs/dbraw/zinc/55/69/07/1122556907.db2.gz DDWKTEOHHUYIAX-UHFFFAOYSA-N -1 1 278.327 3.905 20 0 CHADMM CCc1ccc(CC)c(NC(=O)c2ccccc2[O-])c1 ZINC000436574093 1122560633 /nfs/dbraw/zinc/56/06/33/1122560633.db2.gz LCALJQDTRLHAQU-UHFFFAOYSA-N -1 1 269.344 3.769 20 0 CHADMM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436565426 1122562125 /nfs/dbraw/zinc/56/21/25/1122562125.db2.gz JNDBWLTWWSQOHB-MNOVXSKESA-N -1 1 279.355 3.571 20 0 CHADMM CSc1cccc(NC(=O)c2ccccc2[O-])c1C ZINC000436603641 1122565144 /nfs/dbraw/zinc/56/51/44/1122565144.db2.gz MILCNOYWOJVNHA-UHFFFAOYSA-N -1 1 273.357 3.675 20 0 CHADMM CCc1ccc(NC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000436676637 1122571397 /nfs/dbraw/zinc/57/13/97/1122571397.db2.gz RJDNONLYZODXNE-UHFFFAOYSA-N -1 1 293.725 3.999 20 0 CHADMM [O-]c1c(F)cc(-c2nc3ccc(Cl)cc3[nH]2)cc1F ZINC000436746443 1122578140 /nfs/dbraw/zinc/57/81/40/1122578140.db2.gz GYFNMTHWEGYMGG-UHFFFAOYSA-N -1 1 280.661 3.867 20 0 CHADMM COc1cc(C)c(NC(=O)c2ccccc2[O-])c(C)c1C ZINC000436777011 1122580948 /nfs/dbraw/zinc/58/09/48/1122580948.db2.gz BFGIFGBPDDVBFV-UHFFFAOYSA-N -1 1 285.343 3.578 20 0 CHADMM CC(C)n1ccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001203171912 1122584331 /nfs/dbraw/zinc/58/43/31/1122584331.db2.gz ATAMGVMFTKAGIP-UHFFFAOYSA-N -1 1 252.264 3.796 20 0 CHADMM C[C@@H](Cc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436876734 1122589981 /nfs/dbraw/zinc/58/99/81/1122589981.db2.gz BEUMFGHGTAKAAN-NSHDSACASA-N -1 1 298.317 3.928 20 0 CHADMM CC[C@H](C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436879014 1122591423 /nfs/dbraw/zinc/59/14/23/1122591423.db2.gz LWZBMSUZSARMHK-VIFPVBQESA-N -1 1 264.300 3.560 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)c2ccccc21 ZINC000436891334 1122592338 /nfs/dbraw/zinc/59/23/38/1122592338.db2.gz XDFUDPKAPCPEEI-UHFFFAOYSA-N -1 1 297.329 3.613 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1c([O-])cccc1F ZINC001191410729 1122597545 /nfs/dbraw/zinc/59/75/45/1122597545.db2.gz PRRYGJFDKZWXQN-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1C1CC1 ZINC000436952368 1122599369 /nfs/dbraw/zinc/59/93/69/1122599369.db2.gz VVWJKCRNDBJDRK-UHFFFAOYSA-N -1 1 285.318 3.969 20 0 CHADMM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1csc(C)c1 ZINC000843735872 1122705113 /nfs/dbraw/zinc/70/51/13/1122705113.db2.gz WSNMOZCMVMGBOP-MRVPVSSYSA-N -1 1 283.290 3.524 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1csc(C2CC2)n1 ZINC000153561240 1129072753 /nfs/dbraw/zinc/07/27/53/1129072753.db2.gz SYQSPGYSXZFLQW-UHFFFAOYSA-N -1 1 294.763 3.632 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC2(CCCC2)C1 ZINC000438689773 1122718510 /nfs/dbraw/zinc/71/85/10/1122718510.db2.gz XLZINCGEEGWECH-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM CCCC[C@@H](CC)COC(=O)Nc1ncccc1[O-] ZINC001193945459 1122736041 /nfs/dbraw/zinc/73/60/41/1122736041.db2.gz UMZSIPMESNBASB-LLVKDONJSA-N -1 1 266.341 3.552 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2sccc2Cl)n1 ZINC000506442567 1122741368 /nfs/dbraw/zinc/74/13/68/1122741368.db2.gz GHQBGAOPUOAHHK-UHFFFAOYSA-N -1 1 286.809 3.752 20 0 CHADMM Cc1ccc(OC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001194464180 1122776635 /nfs/dbraw/zinc/77/66/35/1122776635.db2.gz UWNXEXDOOPHEOZ-UHFFFAOYSA-N -1 1 279.242 3.590 20 0 CHADMM CC[C@@H](C)COC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001194800032 1122804228 /nfs/dbraw/zinc/80/42/28/1122804228.db2.gz CZOBUHVPRWWJOL-SSDOTTSWSA-N -1 1 275.707 3.779 20 0 CHADMM CC[C@@H](C)OC(=O)Nc1cccc([O-])c1Br ZINC001195130380 1122845829 /nfs/dbraw/zinc/84/58/29/1122845829.db2.gz KOZWEJKIUXMTKE-SSDOTTSWSA-N -1 1 288.141 3.502 20 0 CHADMM CN(Cc1cccc(F)c1)Cc1cccc([O-])c1Cl ZINC000506942314 1122912782 /nfs/dbraw/zinc/91/27/82/1122912782.db2.gz HHHOQBFVIGWPBR-UHFFFAOYSA-N -1 1 279.742 3.817 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2)o1 ZINC000426794090 1122915816 /nfs/dbraw/zinc/91/58/16/1122915816.db2.gz SNUPLBDYGFSHDG-CYBMUJFWSA-N -1 1 293.750 3.547 20 0 CHADMM C[C@@H]1CCC[C@@H](N(C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190037 1122937420 /nfs/dbraw/zinc/93/74/20/1122937420.db2.gz YAQOQORWWBOOGH-GHMZBOCLSA-N -1 1 269.335 3.681 20 0 CHADMM [O-]c1cc(F)c(NC(=S)Nc2cccc(F)c2)c(F)c1 ZINC001197645378 1122962820 /nfs/dbraw/zinc/96/28/20/1122962820.db2.gz SQHWMPCVHKTYTM-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000154772093 1129092172 /nfs/dbraw/zinc/09/21/72/1129092172.db2.gz ZHMRELQPRNVJPQ-INIZCTEOSA-N -1 1 287.334 3.658 20 0 CHADMM [O-]c1c(F)cccc1NC(=S)Nc1cccc(Cl)c1 ZINC001201103009 1123073641 /nfs/dbraw/zinc/07/36/41/1123073641.db2.gz PBZZLPBSLTXPDH-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM O=C(NCCC1=CCCCC1)c1c([O-])cccc1Cl ZINC000049081977 1123084667 /nfs/dbraw/zinc/08/46/67/1123084667.db2.gz AWOPMVVXVBHFGT-UHFFFAOYSA-N -1 1 279.767 3.666 20 0 CHADMM C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000050566640 1123092640 /nfs/dbraw/zinc/09/26/40/1123092640.db2.gz OXRHIPQYTUUXHM-STQMWFEESA-N -1 1 283.371 3.806 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cncc(O)c2)c1Cl ZINC001201641011 1123135089 /nfs/dbraw/zinc/13/50/89/1123135089.db2.gz HRBJSPPUUSOBJH-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM O=C(Nc1cccc(F)c1)Nc1cc([O-])c(Cl)cc1F ZINC001202229266 1123183882 /nfs/dbraw/zinc/18/38/82/1123183882.db2.gz OPQNLMFOXSSHNC-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CC(C)(C)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000348532145 1123193593 /nfs/dbraw/zinc/19/35/93/1123193593.db2.gz FOKMFPXUULDFLR-UHFFFAOYSA-N -1 1 297.345 3.569 20 0 CHADMM CCOc1cc(C(=O)NC(C)(C)C(C)C)cc(Cl)c1[O-] ZINC000520676637 1123203799 /nfs/dbraw/zinc/20/37/99/1123203799.db2.gz OYVRXQRQAKSPQM-UHFFFAOYSA-N -1 1 299.798 3.609 20 0 CHADMM O=C(/C=C/c1ccc(Cl)cc1)c1cc(O)ccc1[O-] ZINC000006221093 1123218782 /nfs/dbraw/zinc/21/87/82/1123218782.db2.gz OOLMNZOGBQYPRK-XVNBXDOJSA-N -1 1 274.703 3.647 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H](F)C1 ZINC000335094257 1123296925 /nfs/dbraw/zinc/29/69/25/1123296925.db2.gz GAMAVDWVOQGCDX-DTWKUNHWSA-N -1 1 271.719 3.512 20 0 CHADMM CCCCc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC000634590631 1129118855 /nfs/dbraw/zinc/11/88/55/1129118855.db2.gz FNHZVPFITZQXSP-UHFFFAOYSA-N -1 1 267.332 3.518 20 0 CHADMM CCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)C ZINC000634585961 1129118872 /nfs/dbraw/zinc/11/88/72/1129118872.db2.gz XKFGQAUMAPCUFF-ZDUSSCGKSA-N -1 1 287.388 3.681 20 0 CHADMM C[C@H]1CCc2[n-]n(-c3nc(-c4ccccc4)cs3)c(=O)c21 ZINC000634585436 1129118962 /nfs/dbraw/zinc/11/89/62/1129118962.db2.gz GURWDRRZESFDHU-HZMBPMFUSA-N -1 1 297.383 3.559 20 0 CHADMM CCc1[n-]n(-c2nccc3sccc32)c(=O)c1C(C)C ZINC000634596981 1129119779 /nfs/dbraw/zinc/11/97/79/1129119779.db2.gz XZQFEDRCAPGUTB-ZDUSSCGKSA-N -1 1 287.388 3.681 20 0 CHADMM CCc1c(C)[n-]n([C@@H](C)c2ccc(Cl)cc2)c1=O ZINC000634601152 1129120802 /nfs/dbraw/zinc/12/08/02/1129120802.db2.gz DRLDLVOOMMHEPG-GXFFZTMASA-N -1 1 264.756 3.645 20 0 CHADMM CCc1c(C)[n-]n([C@H](C)c2ccc(Cl)cc2)c1=O ZINC000634601153 1129120871 /nfs/dbraw/zinc/12/08/71/1129120871.db2.gz DRLDLVOOMMHEPG-MFKMUULPSA-N -1 1 264.756 3.645 20 0 CHADMM CCC[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674164 1123478218 /nfs/dbraw/zinc/47/82/18/1123478218.db2.gz JBVVYASSGNBTIA-QMMMGPOBSA-N -1 1 273.735 3.950 20 0 CHADMM CC(C)(CC(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885678951 1123484523 /nfs/dbraw/zinc/48/45/23/1123484523.db2.gz ZAYSJWGAJNOUAQ-UHFFFAOYSA-N -1 1 285.746 3.950 20 0 CHADMM CC[C@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895580049 1123495199 /nfs/dbraw/zinc/49/51/99/1123495199.db2.gz DYDFSFPIHDFPSF-ZDUSSCGKSA-N -1 1 299.370 3.656 20 0 CHADMM CCC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895804178 1123516452 /nfs/dbraw/zinc/51/64/52/1123516452.db2.gz IJGPYBJNTQBGOV-UHFFFAOYSA-N -1 1 299.370 3.513 20 0 CHADMM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc(C)c2Cl)cc1 ZINC001227111365 1123554415 /nfs/dbraw/zinc/55/44/15/1123554415.db2.gz KOROIEOUNOGLOZ-JTQLQIEISA-N -1 1 278.739 3.592 20 0 CHADMM CC[C@]1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000399301088 1123556473 /nfs/dbraw/zinc/55/64/73/1123556473.db2.gz FWMBVXPIAYQRGW-GOSISDBHSA-N -1 1 283.371 3.808 20 0 CHADMM CN(CCC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000098109402 1123580982 /nfs/dbraw/zinc/58/09/82/1123580982.db2.gz PPGKJVCNWFZCQU-UHFFFAOYSA-N -1 1 297.276 3.570 20 0 CHADMM O=c1nc(N2CCCC3(C2)CCCCCC3)cc(Cl)[n-]1 ZINC000858427697 1123653041 /nfs/dbraw/zinc/65/30/41/1123653041.db2.gz GSMRUASUHXMYES-UHFFFAOYSA-N -1 1 295.814 3.776 20 0 CHADMM O=C1Oc2ccccc2/C1=C\c1ccc([O-])c(Cl)c1 ZINC000194857355 1129139837 /nfs/dbraw/zinc/13/98/37/1129139837.db2.gz WQPSBUFTZHQACS-YRNVUSSQSA-N -1 1 272.687 3.505 20 0 CHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC2(CCCC2)O1 ZINC000648076768 1123793446 /nfs/dbraw/zinc/79/34/46/1123793446.db2.gz JFRPZJZNXRIDAA-LBPRGKRZSA-N -1 1 295.810 3.579 20 0 CHADMM O=C([N-][C@H](Cc1ccccc1)c1ccccc1)C(F)(F)F ZINC000195526969 1129146256 /nfs/dbraw/zinc/14/62/56/1129146256.db2.gz ZCWKWZXYPMMDKF-CQSZACIVSA-N -1 1 293.288 3.649 20 0 CHADMM Cc1ccc(N(CC2CC2)C(=O)c2ccccc2[O-])cc1F ZINC000863598461 1123878671 /nfs/dbraw/zinc/87/86/71/1123878671.db2.gz VBOSTQTYMPZSMT-UHFFFAOYSA-N -1 1 299.345 3.897 20 0 CHADMM CCSCCCc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864354582 1123924145 /nfs/dbraw/zinc/92/41/45/1123924145.db2.gz HCYVHPHCHMHKTI-UHFFFAOYSA-N -1 1 282.434 3.699 20 0 CHADMM CC(C)Cc1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000302293310 1123965780 /nfs/dbraw/zinc/96/57/80/1123965780.db2.gz NXBLJQYFCJNJNE-UHFFFAOYSA-N -1 1 299.403 3.666 20 0 CHADMM Cc1nc(SCOC2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000865373270 1123975523 /nfs/dbraw/zinc/97/55/23/1123975523.db2.gz MRIQFOJJBWGKOK-UHFFFAOYSA-N -1 1 294.420 3.767 20 0 CHADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000794853985 1124000130 /nfs/dbraw/zinc/00/01/30/1124000130.db2.gz SUDNMPMXJBGYBE-MNOVXSKESA-N -1 1 269.772 3.537 20 0 CHADMM CC(C)c1noc([N-][C@@H](C)c2cc3cnccc3o2)n1 ZINC000866264854 1124043924 /nfs/dbraw/zinc/04/39/24/1124043924.db2.gz UJMRIFKRPVVOEL-VIFPVBQESA-N -1 1 272.308 3.507 20 0 CHADMM CCC(CC)(CC)NC(=O)c1cc(Cl)ccc1[O-] ZINC000086645795 1124083240 /nfs/dbraw/zinc/08/32/40/1124083240.db2.gz VNOOTEDIPICFLY-UHFFFAOYSA-N -1 1 269.772 3.744 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)(C)C ZINC000445455414 1124084322 /nfs/dbraw/zinc/08/43/22/1124084322.db2.gz JZFKNELPGUQVGV-QMMMGPOBSA-N -1 1 264.300 3.731 20 0 CHADMM Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445455699 1124084920 /nfs/dbraw/zinc/08/49/20/1124084920.db2.gz QKFFSAQCIFLYMO-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)(C)C ZINC000445479421 1124086459 /nfs/dbraw/zinc/08/64/59/1124086459.db2.gz HPJLGQXWKPAGAE-VIFPVBQESA-N -1 1 278.327 3.806 20 0 CHADMM Cc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445478806 1124086463 /nfs/dbraw/zinc/08/64/63/1124086463.db2.gz FYTYSEOJMSTJNR-UHFFFAOYSA-N -1 1 298.317 3.675 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cc4ccccc4[nH]3)n2)cc1F ZINC000445476527 1124087667 /nfs/dbraw/zinc/08/76/67/1124087667.db2.gz DPPKEJLNVGKLFT-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM COc1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)c([O-])c1 ZINC000193158058 1124110991 /nfs/dbraw/zinc/11/09/91/1124110991.db2.gz HJMBGQCSXIMGLB-GFCCVEGCSA-N -1 1 297.354 3.555 20 0 CHADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948750 1124654707 /nfs/dbraw/zinc/65/47/07/1124654707.db2.gz BFAJDAMBJPVZLY-OCCSQVGLSA-N -1 1 270.376 3.772 20 0 CHADMM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C1CC1 ZINC000871946551 1124654726 /nfs/dbraw/zinc/65/47/26/1124654726.db2.gz FEJHTZRLSRWHBA-MRXNPFEDSA-N -1 1 264.328 3.589 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCC12CC2 ZINC000528875639 1124833482 /nfs/dbraw/zinc/83/34/82/1124833482.db2.gz KBYVSFYXVKMQNM-SNVBAGLBSA-N -1 1 265.740 3.564 20 0 CHADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccs3)cc2)S1 ZINC000874929938 1124871247 /nfs/dbraw/zinc/87/12/47/1124871247.db2.gz TWQWBPHPAROLMO-XYOKQWHBSA-N -1 1 287.365 3.739 20 0 CHADMM COc1cnc(C=Cc2cccc(Cl)c2Cl)[n-]c1=O ZINC000821007687 1131316837 /nfs/dbraw/zinc/31/68/37/1131316837.db2.gz KAYLOBGBCDGKFJ-WAYWQWQTSA-N -1 1 297.141 3.668 20 0 CHADMM CC[C@@H](OC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539755 1124986381 /nfs/dbraw/zinc/98/63/81/1124986381.db2.gz TXUNHUYCRNYTGB-CYBMUJFWSA-N -1 1 293.750 3.562 20 0 CHADMM COC(=O)c1nc2cc(-c3ccc(SC)cc3)ccc2[n-]1 ZINC001239498568 1131348736 /nfs/dbraw/zinc/34/87/36/1131348736.db2.gz XTDSXORCDXHUJN-UHFFFAOYSA-N -1 1 298.367 3.738 20 0 CHADMM COC(=O)c1nc2ccc(-c3ccc(SC)cc3)cc2[n-]1 ZINC001239498568 1131348743 /nfs/dbraw/zinc/34/87/43/1131348743.db2.gz XTDSXORCDXHUJN-UHFFFAOYSA-N -1 1 298.367 3.738 20 0 CHADMM CCCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000130184878 1125357658 /nfs/dbraw/zinc/35/76/58/1125357658.db2.gz DNVPRSUAAIKUDA-UHFFFAOYSA-N -1 1 255.745 3.955 20 0 CHADMM [O-]c1cc(F)ccc1-c1cnccc1C(F)(F)F ZINC000225457386 1125448626 /nfs/dbraw/zinc/44/86/26/1125448626.db2.gz XNZICDWLKCJOFX-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM C[C@H](CC1CCCCC1)NC(=O)c1c([O-])cccc1F ZINC000622563613 1129265830 /nfs/dbraw/zinc/26/58/30/1129265830.db2.gz MPOWRCALUZWLMO-LLVKDONJSA-N -1 1 279.355 3.620 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-n3cccc3)cn2)c(F)c1 ZINC001241120398 1129458043 /nfs/dbraw/zinc/45/80/43/1129458043.db2.gz SDCVBZIHDNYJRT-UHFFFAOYSA-N -1 1 272.254 3.523 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3nscc3c2)c(F)c1 ZINC001241120835 1129458841 /nfs/dbraw/zinc/45/88/41/1129458841.db2.gz NWJLASGHRMJKJV-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM CC[C@@H](C)n1nc(NCc2cccc([O-])c2Cl)cc1C ZINC000645171670 1129490304 /nfs/dbraw/zinc/49/03/04/1129490304.db2.gz URFNBSPWGYDEOG-SNVBAGLBSA-N -1 1 293.798 3.556 20 0 CHADMM CC(C)N(Cc1ccccn1)Cc1cccc([O-])c1Cl ZINC000646064034 1129519930 /nfs/dbraw/zinc/51/99/30/1129519930.db2.gz GQQHSODIWCHEKL-UHFFFAOYSA-N -1 1 290.794 3.851 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c([O-])cccc1Cl ZINC000743712154 1129534669 /nfs/dbraw/zinc/53/46/69/1129534669.db2.gz LKJCEGJKEMZHBH-QJPTWQEYSA-N -1 1 293.794 3.744 20 0 CHADMM CC1(C)Cc2ccccc2N(C(=O)c2ccc([O-])cc2F)C1 ZINC000646756248 1129542938 /nfs/dbraw/zinc/54/29/38/1129542938.db2.gz IQFLLUOKZIYASA-UHFFFAOYSA-N -1 1 299.345 3.760 20 0 CHADMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(Cl)s1 ZINC000187226818 1129633055 /nfs/dbraw/zinc/63/30/55/1129633055.db2.gz VBLMXPDKBSDFRI-CLFYSBASSA-N -1 1 276.744 3.930 20 0 CHADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(C)cc2)o1 ZINC000650807144 1129723358 /nfs/dbraw/zinc/72/33/58/1129723358.db2.gz QKLNDIMGQXMLRS-HNNXBMFYSA-N -1 1 287.359 3.550 20 0 CHADMM Cc1cc2[nH]ncc2cc1-c1ccc([S-])c(F)c1 ZINC001242284705 1129757070 /nfs/dbraw/zinc/75/70/70/1129757070.db2.gz KMIPWNITVKRLCZ-UHFFFAOYSA-N -1 1 258.321 3.966 20 0 CHADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1cccc(C)c1C ZINC000767331095 1129785893 /nfs/dbraw/zinc/78/58/93/1129785893.db2.gz XSRQQTFPEPHSNX-UHFFFAOYSA-N -1 1 287.334 3.815 20 0 CHADMM CCOC(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366289 1129798878 /nfs/dbraw/zinc/79/88/78/1129798878.db2.gz INQUTQIGFZRTCS-UHFFFAOYSA-N -1 1 276.719 3.889 20 0 CHADMM CCCCN(C(=O)c1ccc(F)c([O-])c1)[C@H](C)CC ZINC001136636548 1131401786 /nfs/dbraw/zinc/40/17/86/1131401786.db2.gz DBTWXHURALKCJS-LLVKDONJSA-N -1 1 267.344 3.572 20 0 CHADMM C/C(=C\C(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC000768259180 1129849051 /nfs/dbraw/zinc/84/90/51/1129849051.db2.gz QTPXGELDTAKREE-CSKARUKUSA-N -1 1 289.281 3.712 20 0 CHADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000769674432 1129920862 /nfs/dbraw/zinc/92/08/62/1129920862.db2.gz NWHFCTGBQJMZOU-WDEREUQCSA-N -1 1 281.783 3.696 20 0 CHADMM CC[C@H](C)C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901684596 1129944534 /nfs/dbraw/zinc/94/45/34/1129944534.db2.gz VVWSMLDWBJMSCD-OUCADQQQSA-N -1 1 289.375 3.973 20 0 CHADMM CCc1oc(CN[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000902097660 1129979313 /nfs/dbraw/zinc/97/93/13/1129979313.db2.gz ZFOASUJGNSEMAY-LBPRGKRZSA-N -1 1 287.359 3.699 20 0 CHADMM Cc1oc(CN[C@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000902262846 1129994605 /nfs/dbraw/zinc/99/46/05/1129994605.db2.gz GMWLZMWZVIPWCQ-INIZCTEOSA-N -1 1 299.370 3.798 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC000902380805 1130005149 /nfs/dbraw/zinc/00/51/49/1130005149.db2.gz LFLIZACIWZQLDQ-MRXNPFEDSA-N -1 1 287.359 3.836 20 0 CHADMM CCc1oc(CN(C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000902512509 1130018112 /nfs/dbraw/zinc/01/81/12/1130018112.db2.gz UTKLHIVEMJQVBC-SNVBAGLBSA-N -1 1 293.388 3.795 20 0 CHADMM COc1c(F)cc(-c2cccc([O-])c2Cl)cc1F ZINC001242799769 1130050965 /nfs/dbraw/zinc/05/09/65/1130050965.db2.gz BMDSRWCVPYZEMO-UHFFFAOYSA-N -1 1 270.662 3.999 20 0 CHADMM CC(C)Cn1cccc(-c2cccc([O-])c2Cl)c1=O ZINC001242801933 1130055510 /nfs/dbraw/zinc/05/55/10/1130055510.db2.gz HNOGNMQQPGNOJF-UHFFFAOYSA-N -1 1 277.751 3.530 20 0 CHADMM CCOc1ncc(-c2cccc([O-])c2Cl)cc1C ZINC001242801032 1130058460 /nfs/dbraw/zinc/05/84/60/1130058460.db2.gz RPCICSBOHDLDSL-UHFFFAOYSA-N -1 1 263.724 3.815 20 0 CHADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C2=CCCC2)cc1 ZINC001239789202 1130108650 /nfs/dbraw/zinc/10/86/50/1130108650.db2.gz LDLWPFNKZPROJP-JTQLQIEISA-N -1 1 283.293 3.993 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])c1cccc2ccccc21 ZINC000678309566 1130399543 /nfs/dbraw/zinc/39/95/43/1130399543.db2.gz PMXJMPFHHNNMQS-UHFFFAOYSA-N -1 1 295.313 3.961 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC001240696313 1130422804 /nfs/dbraw/zinc/42/28/04/1130422804.db2.gz MGGCKOHBQYKSRL-UHFFFAOYSA-N -1 1 297.289 3.521 20 0 CHADMM Cc1ccc(-c2ccc(-c3cc(F)ccc3[O-])nn2)cc1 ZINC001240695411 1130422914 /nfs/dbraw/zinc/42/29/14/1130422914.db2.gz KLPTZJFSSZHJBM-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1cc(-c2ccccc2)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782181 1130468254 /nfs/dbraw/zinc/46/82/54/1130468254.db2.gz SUQNEOYEMZIZAN-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM CC(C)(C)OC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240781958 1130469155 /nfs/dbraw/zinc/46/91/55/1130469155.db2.gz MVNXNZMOFRRKIY-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM [O-]c1ccc(-c2c(F)c(F)cc(F)c2F)cc1F ZINC001240785570 1130469718 /nfs/dbraw/zinc/46/97/18/1130469718.db2.gz GFQXUWPIDZTQNP-UHFFFAOYSA-N -1 1 260.161 3.755 20 0 CHADMM CSc1ccc2ncnc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240786649 1130470132 /nfs/dbraw/zinc/47/01/32/1130470132.db2.gz YEOSBHQWUPPUMN-UHFFFAOYSA-N -1 1 286.331 3.863 20 0 CHADMM Cc1ccc(-c2ccc(-c3ccc([O-])c(F)c3)nn2)o1 ZINC001240786111 1130470250 /nfs/dbraw/zinc/47/02/50/1130470250.db2.gz MDZPPJZKAXIALN-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM [O-]c1ccc(-c2nc(C3CCC3)nc3[nH]ccc32)cc1F ZINC001240786070 1130470535 /nfs/dbraw/zinc/47/05/35/1130470535.db2.gz KHMDWSDOSSKBFN-UHFFFAOYSA-N -1 1 283.306 3.689 20 0 CHADMM CC(C)COc1cc(-c2cc(F)cc(F)c2[O-])ccn1 ZINC001243505605 1130516372 /nfs/dbraw/zinc/51/63/72/1130516372.db2.gz SUPLJNJNICELCP-UHFFFAOYSA-N -1 1 279.286 3.767 20 0 CHADMM CC/C(C)=C(/C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991585 1130697888 /nfs/dbraw/zinc/69/78/88/1130697888.db2.gz DXVDTCZCBSOCMV-HJWRWDBZSA-N -1 1 253.729 3.731 20 0 CHADMM C[C@H]1CC/C(=C/C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000780991490 1130698004 /nfs/dbraw/zinc/69/80/04/1130698004.db2.gz JJBMLUGCBBAMQL-CBFJXKFUSA-N -1 1 265.740 3.731 20 0 CHADMM C/C=C(/C=C/C(=O)Nc1ccc([O-])c(Cl)c1)CC ZINC000780991466 1130698195 /nfs/dbraw/zinc/69/81/95/1130698195.db2.gz IFWFJQBDMRTHME-ZVBUZHGDSA-N -1 1 265.740 3.897 20 0 CHADMM C/C(=C/C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000780991174 1130698317 /nfs/dbraw/zinc/69/83/17/1130698317.db2.gz BMBWKVVSGUTLBE-CLFYSBASSA-N -1 1 267.756 3.977 20 0 CHADMM CSc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245051956 1130775159 /nfs/dbraw/zinc/77/51/59/1130775159.db2.gz KSOFSOOTVUYEHB-UHFFFAOYSA-N -1 1 251.738 3.830 20 0 CHADMM Oc1c(F)cc(F)c(-c2ccccc2[S-])c1F ZINC001235993057 1130824764 /nfs/dbraw/zinc/82/47/64/1130824764.db2.gz BOHQYRAPUXMMKC-UHFFFAOYSA-N -1 1 256.248 3.765 20 0 CHADMM O=C(CCCc1ccsc1)Nc1ccc(F)cc1[O-] ZINC000783590394 1130842189 /nfs/dbraw/zinc/84/21/89/1130842189.db2.gz DCXILQNATKRXSE-UHFFFAOYSA-N -1 1 279.336 3.554 20 0 CHADMM Cc1ccc(F)c(-c2cc(OCC3CC3)ccn2)c1[O-] ZINC001236389223 1130925259 /nfs/dbraw/zinc/92/52/59/1130925259.db2.gz ALNVOWQSHZGONY-UHFFFAOYSA-N -1 1 273.307 3.691 20 0 CHADMM Cc1ccc(F)c(-c2ccc(C(C)(C)C)nn2)c1[O-] ZINC001236393624 1130926680 /nfs/dbraw/zinc/92/66/80/1130926680.db2.gz UNLHOWAHDZAKEP-UHFFFAOYSA-N -1 1 260.312 3.594 20 0 CHADMM Cc1ccc(F)c(-c2ccc(COC3CCC3)cn2)c1[O-] ZINC001236391605 1130926756 /nfs/dbraw/zinc/92/67/56/1130926756.db2.gz LSMAIZPIJVLXOU-UHFFFAOYSA-N -1 1 287.334 3.971 20 0 CHADMM Cc1ccc(F)c(-c2cc(OC(F)(F)F)ccn2)c1[O-] ZINC001236394014 1130926839 /nfs/dbraw/zinc/92/68/39/1130926839.db2.gz VPXIFPPLDZIKMG-UHFFFAOYSA-N -1 1 287.212 3.800 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3c(F)c(F)ccc32)c1[O-] ZINC001236403765 1130929703 /nfs/dbraw/zinc/92/97/03/1130929703.db2.gz UXJOEKQHUIWHEG-UHFFFAOYSA-N -1 1 290.244 3.728 20 0 CHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(F)c(F)c1 ZINC001135598818 1131099508 /nfs/dbraw/zinc/09/95/08/1131099508.db2.gz YMTRDKCSMVVVKU-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM [O-]c1c(CN2CCC23CCCC3)cc(Cl)nc1Cl ZINC001237520696 1131109229 /nfs/dbraw/zinc/10/92/29/1131109229.db2.gz WNFBMSSUDRVHEZ-UHFFFAOYSA-N -1 1 287.190 3.613 20 0 CHADMM CC[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238150470 1131174111 /nfs/dbraw/zinc/17/41/11/1131174111.db2.gz VMRYQAPAFLHFCU-NSHDSACASA-N -1 1 271.763 3.949 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc([O-])c1F ZINC001136019954 1131183971 /nfs/dbraw/zinc/18/39/71/1131183971.db2.gz SIAMQIAGRHKEQG-RWMBFGLXSA-N -1 1 291.366 3.620 20 0 CHADMM [O-]c1ccc(F)c(-c2cc(C(F)(F)F)cnn2)c1Cl ZINC001245827467 1131196652 /nfs/dbraw/zinc/19/66/52/1131196652.db2.gz LXMCXMRFRZLDFT-UHFFFAOYSA-N -1 1 292.619 3.661 20 0 CHADMM [O-]c1ccc(F)c(-c2ccc3ocnc3c2)c1Cl ZINC001245831132 1131201143 /nfs/dbraw/zinc/20/11/43/1131201143.db2.gz GKRBYPLYBWWGII-UHFFFAOYSA-N -1 1 263.655 3.993 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc3cc[nH]c3c2)cc1F ZINC001159691106 1131209335 /nfs/dbraw/zinc/20/93/35/1131209335.db2.gz NPCAIXSIJVOIJB-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001118234243 1131216042 /nfs/dbraw/zinc/21/60/42/1131216042.db2.gz DPSMPEOOIBUTHU-CQSZACIVSA-N -1 1 289.400 3.710 20 0 CHADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001143640804 1131520226 /nfs/dbraw/zinc/52/02/26/1131520226.db2.gz CGMNGRLIKIZEJC-WFASDCNBSA-N -1 1 293.382 3.866 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001202849083 1131530097 /nfs/dbraw/zinc/53/00/97/1131530097.db2.gz MJRCJAWFQCJWCP-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM C[C@@H]1CN(Cc2c(F)cc([O-])cc2F)Cc2ccccc21 ZINC001144542143 1131653287 /nfs/dbraw/zinc/65/32/87/1131653287.db2.gz PWURMINNCQIWCW-LLVKDONJSA-N -1 1 289.325 3.790 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1c(F)cc([O-])cc1F ZINC001144541689 1131653586 /nfs/dbraw/zinc/65/35/86/1131653586.db2.gz KGZZVIHTEXWMGK-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccc1Cl ZINC001139967860 1131654072 /nfs/dbraw/zinc/65/40/72/1131654072.db2.gz ZWWVZAZJLZKQDW-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM CN(Cc1cccc(F)c1F)Cc1c(F)cc([O-])cc1F ZINC001144561673 1131658833 /nfs/dbraw/zinc/65/88/33/1131658833.db2.gz LEUPJLVPVXJPNQ-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM C[C@H]1Cc2ccccc2CN1Cc1c(F)cc([O-])cc1F ZINC001144559961 1131659034 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CC(=O)CCCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837086104 1132033781 /nfs/dbraw/zinc/03/37/81/1132033781.db2.gz KFLAVRUCINHAFJ-UHFFFAOYSA-N -1 1 299.317 3.539 20 0 CHADMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@H]1C=CCC1 ZINC001229260418 1132047166 /nfs/dbraw/zinc/04/71/66/1132047166.db2.gz SCTFOHXHYUOFKU-INIZCTEOSA-N -1 1 294.350 3.915 20 0 CHADMM O=C(CCc1c[nH]c2ccccc12)Nc1cccc(F)c1[O-] ZINC001171632798 1132062534 /nfs/dbraw/zinc/06/25/34/1132062534.db2.gz PWMDXNWYENXMBM-UHFFFAOYSA-N -1 1 298.317 3.584 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C(C)=O)c1ccccc1 ZINC001229478288 1132073428 /nfs/dbraw/zinc/07/34/28/1132073428.db2.gz VFRQHELWHQCKIR-GOSISDBHSA-N -1 1 298.338 3.694 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCC(=O)CC1(C)C ZINC001229475271 1132073971 /nfs/dbraw/zinc/07/39/71/1132073971.db2.gz SMDLPJAQHVQGLK-INIZCTEOSA-N -1 1 290.359 3.512 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@H]1C ZINC001229474980 1132074164 /nfs/dbraw/zinc/07/41/64/1132074164.db2.gz OBACFXPYVRXYNN-IAQYHMDHSA-N -1 1 262.349 3.942 20 0 CHADMM CCN(C(=O)c1cccc([O-])c1F)c1cccc(Cl)c1 ZINC001141472554 1132138880 /nfs/dbraw/zinc/13/88/80/1132138880.db2.gz UZBCGZLGEDYMOJ-UHFFFAOYSA-N -1 1 293.725 3.851 20 0 CHADMM CC(C)c1ccc(CNC(=O)c2cccc([O-])c2F)cc1 ZINC001141510371 1132144371 /nfs/dbraw/zinc/14/43/71/1132144371.db2.gz HBFXPBUJWWJRSV-UHFFFAOYSA-N -1 1 287.334 3.585 20 0 CHADMM CCN(C(=O)c1c([O-])cccc1Cl)C1CC(C)(C)C1 ZINC000840537119 1132264807 /nfs/dbraw/zinc/26/48/07/1132264807.db2.gz CXRGODJJHJRCHF-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1OC1CCC1 ZINC001231230523 1132273714 /nfs/dbraw/zinc/27/37/14/1132273714.db2.gz NVFPQSGJZVTKBP-UHFFFAOYSA-N -1 1 268.312 3.555 20 0 CHADMM O=C(c1ccc([O-])cc1)c1ccccc1OC1CCCC1 ZINC001231231267 1132274697 /nfs/dbraw/zinc/27/46/97/1132274697.db2.gz TVNBOQGDEGEQRO-UHFFFAOYSA-N -1 1 282.339 3.945 20 0 CHADMM [O-]c1cc(CN2Cc3cnc(Cl)cc3C2)ccc1Cl ZINC001231735242 1132349328 /nfs/dbraw/zinc/34/93/28/1132349328.db2.gz LNPSOIJAMPRSAH-UHFFFAOYSA-N -1 1 295.169 3.610 20 0 CHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001142514903 1132403258 /nfs/dbraw/zinc/40/32/58/1132403258.db2.gz UKXAQQSXURPJMQ-UONOGXRCSA-N -1 1 293.382 3.818 20 0 CHADMM C[C@]1(F)CCCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646746 1132416904 /nfs/dbraw/zinc/41/69/04/1132416904.db2.gz BWMWAKRMRKMMMY-HNNXBMFYSA-N -1 1 299.773 3.752 20 0 CHADMM O=C([N-]Cc1cccc(-c2cccs2)c1)C(F)(F)F ZINC001142767816 1132444331 /nfs/dbraw/zinc/44/43/31/1132444331.db2.gz CTVCZSSLQBKDOK-UHFFFAOYSA-N -1 1 285.290 3.594 20 0 CHADMM CN(Cc1ccc(F)cc1F)Cc1ccc(F)c([O-])c1F ZINC001232936396 1132546407 /nfs/dbraw/zinc/54/64/07/1132546407.db2.gz CLLXYCPZIHCSSV-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM [O-]c1cc(CN2Cc3ccc(Cl)cc3C2)cc(F)c1F ZINC001232975778 1132556793 /nfs/dbraw/zinc/55/67/93/1132556793.db2.gz PPOUGZYDKUFMKH-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233035617 1132566023 /nfs/dbraw/zinc/56/60/23/1132566023.db2.gz 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ZINC001159663323 1132887531 /nfs/dbraw/zinc/88/75/31/1132887531.db2.gz VXAAZBXCOHNDLK-UHFFFAOYSA-N -1 1 281.315 3.622 20 0 CHADMM COc1c(F)ccc(F)c1Nc1c([O-])cc(F)cc1F ZINC001174663171 1132953418 /nfs/dbraw/zinc/95/34/18/1132953418.db2.gz WGBMIZVBMIXVOT-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCC[C@@H](C(=O)[N-]OCC(C)C)c1ccc(Cl)cc1 ZINC001161057413 1132991852 /nfs/dbraw/zinc/99/18/52/1132991852.db2.gz YHUACEBPXWPCAM-CQSZACIVSA-N -1 1 283.799 3.928 20 0 CHADMM CCCCSCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162291993 1133067031 /nfs/dbraw/zinc/06/70/31/1133067031.db2.gz RPJYILNACJWCJH-UHFFFAOYSA-N -1 1 289.347 3.532 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162291866 1133067131 /nfs/dbraw/zinc/06/71/31/1133067131.db2.gz QKTNTADKZXNWKH-BQYQJAHWSA-N -1 1 269.291 3.601 20 0 CHADMM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162296653 1133067216 /nfs/dbraw/zinc/06/72/16/1133067216.db2.gz ZDDFHPFBVURFMO-PSLIRLAXSA-N -1 1 283.318 3.825 20 0 CHADMM 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278.327 3.950 20 0 CHADMM CC[C@@H](C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000436881198 330687525 /nfs/dbraw/zinc/68/75/25/330687525.db2.gz WHERMSKQMHNNBM-SECBINFHSA-N -1 1 264.300 3.560 20 0 CHADMM CCNc1ccc(Cl)cc1NC(=O)c1ccccc1[O-] ZINC000436949491 330689496 /nfs/dbraw/zinc/68/94/96/330689496.db2.gz MFGKSMNJWXABGB-UHFFFAOYSA-N -1 1 290.750 3.730 20 0 CHADMM C[C@H]1CC[C@@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445469442 330829328 /nfs/dbraw/zinc/82/93/28/330829328.db2.gz HYDMVOYGRJQXKE-VHSXEESVSA-N -1 1 276.311 3.560 20 0 CHADMM CCC1(c2noc(-c3ccc([O-])cc3F)n2)CCCC1 ZINC000445801569 330837408 /nfs/dbraw/zinc/83/74/08/330837408.db2.gz HBHIIVMVXFEZHV-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000446917744 330857808 /nfs/dbraw/zinc/85/78/08/330857808.db2.gz DPPKAHBJJZXOQM-HNNXBMFYSA-N -1 1 299.345 3.931 20 0 CHADMM CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000453184481 331098426 /nfs/dbraw/zinc/09/84/26/331098426.db2.gz 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Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000335989125 534826085 /nfs/dbraw/zinc/82/60/85/534826085.db2.gz QNDAIWKFZVACLX-UHFFFAOYSA-N -1 1 297.326 3.733 20 0 CHADMM CSCCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278170865 525439540 /nfs/dbraw/zinc/43/95/40/525439540.db2.gz NNRJMGJNQNKMPG-UHFFFAOYSA-N -1 1 298.795 3.781 20 0 CHADMM C[C@@H](NCc1cccc([O-])c1Cl)c1c(F)cncc1F ZINC000339400056 525535987 /nfs/dbraw/zinc/53/59/87/525535987.db2.gz MMMYAOOSIKERFD-MRVPVSSYSA-N -1 1 298.720 3.570 20 0 CHADMM C[C@@H]1c2ccsc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000042771564 525734930 /nfs/dbraw/zinc/73/49/30/525734930.db2.gz IEIGWEHYZAVSKX-LLVKDONJSA-N -1 1 287.384 3.566 20 0 CHADMM Cc1c(=O)[n-]c(SC2CCC2)nc1-c1ccccc1 ZINC000292569971 525880528 /nfs/dbraw/zinc/88/05/28/525880528.db2.gz YRCHTFOVVREJQQ-UHFFFAOYSA-N -1 1 272.373 3.802 20 0 CHADMM Cc1ccc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2n1 ZINC000340328114 526228684 /nfs/dbraw/zinc/22/86/84/526228684.db2.gz BWJXJSODXQBHCS-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(CC1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000082192969 526357599 /nfs/dbraw/zinc/35/75/99/526357599.db2.gz LVWBFWNLKIWMFL-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM [O-]c1cccc(CNCc2nc(C3CC3)cs2)c1Cl ZINC000293365723 526360863 /nfs/dbraw/zinc/36/08/63/526360863.db2.gz UYDYZARWWSKCEL-UHFFFAOYSA-N -1 1 294.807 3.669 20 0 CHADMM Cc1cc(C)c(CN2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000317055812 600083133 /nfs/dbraw/zinc/08/31/33/600083133.db2.gz UOBMVDOQFGXFNA-UHFFFAOYSA-N -1 1 295.382 3.826 20 0 CHADMM CC[C@H](c1ccccc1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736929058 600086516 /nfs/dbraw/zinc/08/65/16/600086516.db2.gz NOSQMWPXMHRXAA-QGZVFWFLSA-N -1 1 281.355 3.852 20 0 CHADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000571930758 600218140 /nfs/dbraw/zinc/21/81/40/600218140.db2.gz QRWYRKDSAZAXAP-ZDUSSCGKSA-N -1 1 289.331 3.525 20 0 CHADMM C[C@H]1CCN(Cc2occc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000570689321 600861681 /nfs/dbraw/zinc/86/16/81/600861681.db2.gz LLEHAFLTVMIVMV-WCQYABFASA-N -1 1 289.331 3.544 20 0 CHADMM C[C@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062753767 604749712 /nfs/dbraw/zinc/74/97/12/604749712.db2.gz JUCRFLBJHQWTBR-SNVBAGLBSA-N -1 1 293.363 3.778 20 0 CHADMM C[C@@H](c1ccccc1F)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833550420 604847583 /nfs/dbraw/zinc/84/75/83/604847583.db2.gz VNCVTNDEUCGHQZ-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@H](c1cccc(F)c1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549226 604849690 /nfs/dbraw/zinc/84/96/90/604849690.db2.gz VPZVEKIJSOOYNE-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000383584766 605828885 /nfs/dbraw/zinc/82/88/85/605828885.db2.gz NPDQHPFREJVOIR-LBPRGKRZSA-N -1 1 287.334 3.717 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124453871 949255063 /nfs/dbraw/zinc/25/50/63/949255063.db2.gz GYRNSHJLSYWBBE-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccsc1 ZINC000381761704 971776566 /nfs/dbraw/zinc/77/65/66/971776566.db2.gz XEJOJLJFWRURNG-SECBINFHSA-N -1 1 295.791 3.951 20 0 CHADMM CC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000071380896 957721087 /nfs/dbraw/zinc/72/10/87/957721087.db2.gz OIMNDXUPMUKRJR-ZDUSSCGKSA-N -1 1 293.750 3.872 20 0 CHADMM Cc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000235185706 960394281 /nfs/dbraw/zinc/39/42/81/960394281.db2.gz QVPUELXITRVDIN-SECBINFHSA-N -1 1 279.361 3.507 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(Cl)c1 ZINC000235190957 960396173 /nfs/dbraw/zinc/39/61/73/960396173.db2.gz QYYIHGRVSDHIIU-SECBINFHSA-N -1 1 293.750 3.790 20 0 CHADMM C[C@@H](c1cccc(F)c1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000317491070 970364117 /nfs/dbraw/zinc/36/41/17/970364117.db2.gz DYXIDZAKNDCMGA-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM CCCc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)s1 ZINC000621247305 975026984 /nfs/dbraw/zinc/02/69/84/975026984.db2.gz ODIDFKDYIJLSMY-CYBMUJFWSA-N -1 1 295.429 3.678 20 0 CHADMM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cccs1 ZINC001595363233 980779827 /nfs/dbraw/zinc/77/98/27/980779827.db2.gz YWLPDWPPFPDKQD-OAHLLOKOSA-N -1 1 289.400 3.786 20 0 CHADMM Cc1cc(CN[C@@H](C)c2cccc(C)c2C)oc1C(=O)[O-] ZINC000902267864 980809428 /nfs/dbraw/zinc/80/94/28/980809428.db2.gz GMMUXUOLJYEHSX-ZDUSSCGKSA-N -1 1 287.359 3.754 20 0 CHADMM CC(C)[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1F ZINC000902383745 980865078 /nfs/dbraw/zinc/86/50/78/980865078.db2.gz ZURSRJCRGMOUBG-AWEZNQCLSA-N -1 1 291.322 3.604 20 0 CHADMM CCC1(CC)CN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001595376429 980906322 /nfs/dbraw/zinc/90/63/22/980906322.db2.gz XWAMRIBYFJDYCI-UHFFFAOYSA-N -1 1 281.783 3.660 20 0 CHADMM CCC[C@]1(C)CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595617573 981654691 /nfs/dbraw/zinc/65/46/91/981654691.db2.gz QZUQKKJTSXZWOX-IAQYHMDHSA-N -1 1 296.436 3.805 20 0 CHADMM C[C@H](NCc1csc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001599901323 984833613 /nfs/dbraw/zinc/83/36/13/984833613.db2.gz BRQOHQGDFOSISY-QMMMGPOBSA-N -1 1 297.326 3.575 20 0 CHADMM C/C(=C\c1ccccc1)CN[C@@H](C(=O)[O-])c1cccs1 ZINC001589003500 984952910 /nfs/dbraw/zinc/95/29/10/984952910.db2.gz BZRBKCIVEJYEDQ-HBIYDYFMSA-N -1 1 287.384 3.567 20 0 CHADMM C/C=C\C[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686099 987061464 /nfs/dbraw/zinc/06/14/64/987061464.db2.gz MYBZRATTZBMNII-RRNNCXACSA-N -1 1 294.420 3.581 20 0 CHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1cc2ccccc2o1 ZINC001599841961 988854374 /nfs/dbraw/zinc/85/43/74/988854374.db2.gz TXGNSFCRYOFTSV-SNVBAGLBSA-N -1 1 285.299 3.575 20 0 CHADMM CC(C)CC1(C)CCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591196916 992013616 /nfs/dbraw/zinc/01/36/16/992013616.db2.gz NBSCBWMKKFESSV-LBPRGKRZSA-N -1 1 294.395 3.582 20 0 CHADMM CC(C)CC1(C)CCN([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591196915 992014226 /nfs/dbraw/zinc/01/42/26/992014226.db2.gz NBSCBWMKKFESSV-GFCCVEGCSA-N -1 1 294.395 3.582 20 0 CHADMM C[C@@H](N[C@H]1CCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593220657 994314706 /nfs/dbraw/zinc/31/47/06/994314706.db2.gz VBCJEHXKNLEPJZ-ABAIWWIYSA-N -1 1 285.343 3.706 20 0 CHADMM C[C@H](NCc1ccc2ccccc2c1)c1cc(C(=O)[O-])co1 ZINC001593303427 994734715 /nfs/dbraw/zinc/73/47/15/994734715.db2.gz DEZJWQAPFMKDMT-LBPRGKRZSA-N -1 1 295.338 3.982 20 0 CHADMM C[C@H](NCc1cccc(F)c1F)c1cc(C(=O)[O-])cs1 ZINC001593304576 994750122 /nfs/dbraw/zinc/75/01/22/994750122.db2.gz OSNDBOQYPVGYKK-QMMMGPOBSA-N -1 1 297.326 3.575 20 0 CHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C1CC1 ZINC001593942092 996962844 /nfs/dbraw/zinc/96/28/44/996962844.db2.gz CXIQPRIKOUYDRF-CQSZACIVSA-N -1 1 293.794 3.659 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(O)ccc2Cl)c1F ZINC001176671305 1121673348 /nfs/dbraw/zinc/67/33/48/1121673348.db2.gz WVDFSNDDVBPFEZ-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM CCC/C(C)=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674097 1123475567 /nfs/dbraw/zinc/47/55/67/1123475567.db2.gz GYRDIMVGAMCVQE-VMPITWQZSA-N -1 1 271.719 3.870 20 0 CHADMM O=c1nc(NCCCC2CCCCC2)cc(Cl)[n-]1 ZINC000858347536 1123646819 /nfs/dbraw/zinc/64/68/19/1123646819.db2.gz AZKNQQZBKGCULP-UHFFFAOYSA-N -1 1 269.776 3.608 20 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CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000885682404 1125620510 /nfs/dbraw/zinc/62/05/10/1125620510.db2.gz OALXOXAEQIERGU-ILWJIGKKSA-N -1 1 297.757 3.950 20 0 CHADMM O=C(C[C@H]1CC=CCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885682534 1125620967 /nfs/dbraw/zinc/62/09/67/1125620967.db2.gz RLLIYTCXKZUKSG-VIFPVBQESA-N -1 1 283.730 3.870 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325040 1125627952 /nfs/dbraw/zinc/62/79/52/1125627952.db2.gz ZXGKKKQUOJBNKH-MFKMUULPSA-N -1 1 281.783 3.744 20 0 CHADMM CC(=O)c1ccc(C)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212010822 1125648360 /nfs/dbraw/zinc/64/83/60/1125648360.db2.gz ANUBUHTWLYMEGU-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM Cc1ccc([C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000743823270 1129538089 /nfs/dbraw/zinc/53/80/89/1129538089.db2.gz QOXPOXNOVDDKOY-VIFPVBQESA-N -1 1 279.723 3.689 20 0 CHADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000175238728 1126779634 /nfs/dbraw/zinc/77/96/34/1126779634.db2.gz YSFRRRTUSGHQOY-OCCSQVGLSA-N -1 1 299.345 3.550 20 0 CHADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000176525024 1126791741 /nfs/dbraw/zinc/79/17/41/1126791741.db2.gz WFYFJEUBUSDMCW-IUODEOHRSA-N -1 1 299.345 3.550 20 0 CHADMM CC(C)C[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000036819338 1126815349 /nfs/dbraw/zinc/81/53/49/1126815349.db2.gz XIGFQSJALUKQGV-LBPRGKRZSA-N -1 1 271.360 3.710 20 0 CHADMM CSCCCCc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000905031281 1126888283 /nfs/dbraw/zinc/88/82/83/1126888283.db2.gz FDDGGAUTPOBERU-UHFFFAOYSA-N -1 1 282.434 3.699 20 0 CHADMM CC1(CNC(=O)c2c[nH]c3ccccc3c2=O)CCCCC1 ZINC000268248175 1127014330 /nfs/dbraw/zinc/01/43/30/1127014330.db2.gz WLIDFUJHCOZZMC-UHFFFAOYSA-N -1 1 298.386 3.641 20 0 CHADMM O=C(/C=C/C1CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909981275 1127043022 /nfs/dbraw/zinc/04/30/22/1127043022.db2.gz OAQKNQBAYGBOER-VOTSOKGWSA-N -1 1 281.302 3.745 20 0 CHADMM CC(C)(C)C1CC(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909988094 1127044102 /nfs/dbraw/zinc/04/41/02/1127044102.db2.gz UVBGAEKKBDHADX-UHFFFAOYSA-N -1 1 283.318 3.681 20 0 CHADMM CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCCC1 ZINC000909985927 1127042146 /nfs/dbraw/zinc/04/21/46/1127042146.db2.gz TYRSZYDUMKKCTH-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM CCOc1cc(C(=O)N(C)C[C@H](C)CC)cc(Cl)c1[O-] ZINC000273916962 1127101882 /nfs/dbraw/zinc/10/18/82/1127101882.db2.gz DRYVDEUIBFDCOI-SNVBAGLBSA-N -1 1 299.798 3.562 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC=CC12CCCC2 ZINC000913200331 1127125002 /nfs/dbraw/zinc/12/50/02/1127125002.db2.gz SVLXSOUTNGAVMI-UHFFFAOYSA-N -1 1 293.366 3.870 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669168612 1127152148 /nfs/dbraw/zinc/15/21/48/1127152148.db2.gz ODEFVBZXCNQIPR-CHWSQXEVSA-N -1 1 298.386 3.591 20 0 CHADMM CCSCC[C@@H](C)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000351767314 1127207982 /nfs/dbraw/zinc/20/79/82/1127207982.db2.gz UTVPFIQYPHWKLJ-SNVBAGLBSA-N -1 1 289.391 3.634 20 0 CHADMM Cc1c(=O)[n-]c(SCCCCF)nc1-c1ccccc1 ZINC000285095088 1127216901 /nfs/dbraw/zinc/21/69/01/1127216901.db2.gz IJTQZZSGMHPWMR-UHFFFAOYSA-N -1 1 292.379 3.999 20 0 CHADMM CC(C)CC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306171 1127252096 /nfs/dbraw/zinc/25/20/96/1127252096.db2.gz YEPXBXDYEQLKLW-JTQLQIEISA-N -1 1 269.772 3.600 20 0 CHADMM C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)[C@H]1C ZINC001238153146 1131176313 /nfs/dbraw/zinc/17/63/13/1131176313.db2.gz XNJJMIGRZYSQGL-ZJUUUORDSA-N -1 1 271.763 3.805 20 0 CHADMM CCCCC1CCC(OCCCC[P@](=O)([O-])O)CC1 ZINC001225019086 1127321704 /nfs/dbraw/zinc/32/17/04/1127321704.db2.gz QVEABDRSTAMHPN-UHFFFAOYSA-N -1 1 292.356 3.710 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCCC(F)(F)C3)n2)cc1F ZINC000289182142 1127377029 /nfs/dbraw/zinc/37/70/29/1127377029.db2.gz WMMPVLDDTWYMJU-VIFPVBQESA-N -1 1 298.264 3.874 20 0 CHADMM CSCC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289211104 1127377205 /nfs/dbraw/zinc/37/72/05/1127377205.db2.gz ZHZFIRMIOSDUCQ-UHFFFAOYSA-N -1 1 298.795 3.736 20 0 CHADMM CN(CCC1CCCCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001442838211 1127382934 /nfs/dbraw/zinc/38/29/34/1127382934.db2.gz ZZHBPRCYGOLDGV-UHFFFAOYSA-N -1 1 279.355 3.574 20 0 CHADMM CS[C@@H](C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000358472886 1127422991 /nfs/dbraw/zinc/42/29/91/1127422991.db2.gz FSNPGBDYXXATFR-QMMMGPOBSA-N -1 1 273.785 3.516 20 0 CHADMM Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(O)c1Cl ZINC000294868997 1127605319 /nfs/dbraw/zinc/60/53/19/1127605319.db2.gz JZERWQXLALMOJK-AWEZNQCLSA-N -1 1 290.794 3.721 20 0 CHADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450901470 1127760499 /nfs/dbraw/zinc/76/04/99/1127760499.db2.gz TYFHWCDNGOPZSD-ZJUUUORDSA-N -1 1 283.318 3.825 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc2occc2s1 ZINC000608365634 1127862920 /nfs/dbraw/zinc/86/29/20/1127862920.db2.gz HTGPQYUBTBXESU-UHFFFAOYSA-N -1 1 277.276 3.591 20 0 CHADMM O=C(CC/C=C\c1ccccc1)Nc1c([O-])cccc1F ZINC000608367207 1127863004 /nfs/dbraw/zinc/86/30/04/1127863004.db2.gz MUQGKWFMCVGPKD-WTKPLQERSA-N -1 1 285.318 3.963 20 0 CHADMM CC[N@H+](Cc1ccccc1)Cc1cccc(O)c1F ZINC001233049197 1127914943 /nfs/dbraw/zinc/91/49/43/1127914943.db2.gz JXFACNYYSNSXEP-UHFFFAOYSA-N -1 1 259.324 3.553 20 0 CHADMM CC[C@@H](Nc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000520371926 1127985308 /nfs/dbraw/zinc/98/53/08/1127985308.db2.gz DWBAJJSNUNPNFH-SNVBAGLBSA-N -1 1 298.264 3.529 20 0 CHADMM C[C@@H]1CC[C@H](C(=O)Nc2c([O-])cccc2F)C[C@H]1C ZINC000648940663 1128387304 /nfs/dbraw/zinc/38/73/04/1128387304.db2.gz YHXPDSXSBSWAEO-MXWKQRLJSA-N -1 1 265.328 3.542 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000124887438 1128446629 /nfs/dbraw/zinc/44/66/29/1128446629.db2.gz TWVLQYQPTXNVTG-PBHICJAKSA-N -1 1 295.382 3.950 20 0 CHADMM Cc1oc([C@@H](C)N(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000563966026 1128487934 /nfs/dbraw/zinc/48/79/34/1128487934.db2.gz GETPLBQDDJXROK-SNVBAGLBSA-N -1 1 291.322 3.618 20 0 CHADMM C[C@H](CS[C@H]1COC(C)(C)C1)C(=O)c1ccc([O-])cc1 ZINC000918158495 1128537837 /nfs/dbraw/zinc/53/78/37/1128537837.db2.gz BFRHQDZGVYXHPR-BXUZGUMPSA-N -1 1 294.416 3.512 20 0 CHADMM CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000567086030 1128557248 /nfs/dbraw/zinc/55/72/48/1128557248.db2.gz VTWNSXCHJXQEMF-UHFFFAOYSA-N -1 1 295.260 3.624 20 0 CHADMM C[C@H]1CCC[C@@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000920463115 1128682660 /nfs/dbraw/zinc/68/26/60/1128682660.db2.gz NVYMMXXHJYIRRY-WDEREUQCSA-N -1 1 281.783 3.602 20 0 CHADMM COc1cccc(C(F)(F)F)c1[N-]c1nc(C)ns1 ZINC001213339725 1117750763 /nfs/dbraw/zinc/75/07/63/1117750763.db2.gz XHTJCWHNWSKLJT-UHFFFAOYSA-N -1 1 289.282 3.618 20 0 CHADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683182286 1117842402 /nfs/dbraw/zinc/84/24/02/1117842402.db2.gz BZAPHWAPCGHMAE-JLHYYAGUSA-N -1 1 299.345 3.707 20 0 CHADMM O=C(Nc1cnccc1-c1ccccc1)c1ccccc1[O-] ZINC000683224757 1117900264 /nfs/dbraw/zinc/90/02/64/1117900264.db2.gz QPWHIHPXXNQACP-UHFFFAOYSA-N -1 1 290.322 3.707 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC2(CCC2)C1 ZINC000579836073 1117900316 /nfs/dbraw/zinc/90/03/16/1117900316.db2.gz BCMZJVBJWBNVID-UHFFFAOYSA-N -1 1 265.740 3.564 20 0 CHADMM CCCc1[n-]n(-c2ccnc3ccccc32)c(=O)c1CC ZINC000634603300 1118046527 /nfs/dbraw/zinc/04/65/27/1118046527.db2.gz VPNYBAUQVDQKGU-LBPRGKRZSA-N -1 1 281.359 3.764 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC000139729351 1118083525 /nfs/dbraw/zinc/08/35/25/1118083525.db2.gz BOFQJVPCWMICJQ-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM COc1cc([C@@H](C)[N-]C(=O)C(F)(F)F)cc2ccccc21 ZINC000890790773 1118130596 /nfs/dbraw/zinc/13/05/96/1118130596.db2.gz CWONUHBZNUYFNP-SECBINFHSA-N -1 1 297.276 3.588 20 0 CHADMM C[C@@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(F)c1 ZINC000683666859 1118268865 /nfs/dbraw/zinc/26/88/65/1118268865.db2.gz IWHLUMNFJYNCOR-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM Cc1ccsc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000072627362 1118374776 /nfs/dbraw/zinc/37/47/76/1118374776.db2.gz FYNSWINBLMXKES-UHFFFAOYSA-N -1 1 295.791 3.688 20 0 CHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000049079952 1118424290 /nfs/dbraw/zinc/42/42/90/1118424290.db2.gz YXBDAEUGOWTEDG-NSHDSACASA-N -1 1 289.762 3.579 20 0 CHADMM O=C(NCc1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000049081195 1118424480 /nfs/dbraw/zinc/42/44/80/1118424480.db2.gz ZMNZEQTUVJOGIE-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM O=C(CCSc1ccccc1)Nc1c([O-])cccc1F ZINC000089541197 1118437456 /nfs/dbraw/zinc/43/74/56/1118437456.db2.gz SJZQLAXJRIPHJI-UHFFFAOYSA-N -1 1 291.347 3.652 20 0 CHADMM O=C(Nc1cc(Cl)ccn1)c1ccc2ccccc2c1[O-] ZINC000228830682 1118478972 /nfs/dbraw/zinc/47/89/72/1118478972.db2.gz HHFVGQOZNFOJEY-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2o1 ZINC000605438006 1118625390 /nfs/dbraw/zinc/62/53/90/1118625390.db2.gz BVASYSVVEQUISP-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM Cc1cc([C@@H](C)N2CCc3ccc(C)cc3C2)oc1C(=O)[O-] ZINC000656759070 1118650593 /nfs/dbraw/zinc/65/05/93/1118650593.db2.gz VWWMZKJIPDQAGE-CYBMUJFWSA-N -1 1 299.370 3.714 20 0 CHADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1Cl ZINC000656763112 1118651746 /nfs/dbraw/zinc/65/17/46/1118651746.db2.gz LEEJSFPTYPQWPW-LLVKDONJSA-N -1 1 299.773 3.610 20 0 CHADMM CCc1cc(Nc2cc(F)c([O-])cc2F)ccc1N ZINC001216040219 1118712495 /nfs/dbraw/zinc/71/24/95/1118712495.db2.gz ADAUBYFRFALGNR-UHFFFAOYSA-N -1 1 264.275 3.559 20 0 CHADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000684471131 1118742650 /nfs/dbraw/zinc/74/26/50/1118742650.db2.gz RSKHEIOECZCVEH-GHMZBOCLSA-N -1 1 265.328 3.686 20 0 CHADMM CCc1nc(SC[C@@H]2CC[C@H]3C[C@H]3C2)[n-]c(=O)c1C ZINC000657264073 1118944218 /nfs/dbraw/zinc/94/42/18/1118944218.db2.gz CSCALYNCYQNMDM-GRYCIOLGSA-N -1 1 278.421 3.581 20 0 CHADMM C/C(=C/C(C)(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000588505430 1119014444 /nfs/dbraw/zinc/01/44/44/1119014444.db2.gz XLJHJKAVRUBGMF-HJWRWDBZSA-N -1 1 267.756 3.977 20 0 CHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684868445 1119077984 /nfs/dbraw/zinc/07/79/84/1119077984.db2.gz BTLWNRGRNJAPIR-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM CC[C@H](C)CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874789 1119084038 /nfs/dbraw/zinc/08/40/38/1119084038.db2.gz YEQOECZKMDEXNF-VIFPVBQESA-N -1 1 289.297 3.529 20 0 CHADMM CCCc1cc(C(=O)[N-]c2cccc(F)c2SC)no1 ZINC000617274889 1128826617 /nfs/dbraw/zinc/82/66/17/1128826617.db2.gz MIKOPHRRSHSHRW-UHFFFAOYSA-N -1 1 294.351 3.740 20 0 CHADMM Cc1cscc1-c1nc2cccc(C)c2c(=O)[n-]1 ZINC000445650057 1119475680 /nfs/dbraw/zinc/47/56/80/1119475680.db2.gz LBUFFRYECNIBDU-UHFFFAOYSA-N -1 1 256.330 3.681 20 0 CHADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000183608161 1119662697 /nfs/dbraw/zinc/66/26/97/1119662697.db2.gz NONOOQFKASRHQL-IUCAKERBSA-N -1 1 255.745 3.666 20 0 CHADMM CCc1ccc(C(=O)N(C)c2ccc(C)cc2)c([O-])c1 ZINC000190814336 1128883239 /nfs/dbraw/zinc/88/32/39/1128883239.db2.gz RJTXCKUCIBSQMF-UHFFFAOYSA-N -1 1 269.344 3.540 20 0 CHADMM CSc1c(F)cccc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000892686129 1120075842 /nfs/dbraw/zinc/07/58/42/1120075842.db2.gz RMNYAANHGOXUTK-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1 ZINC000181037393 1120101595 /nfs/dbraw/zinc/10/15/95/1120101595.db2.gz UOPGGOQGZNONEW-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000328073195 1120151929 /nfs/dbraw/zinc/15/19/29/1120151929.db2.gz AHARXODMLUVIEZ-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CCC(C)(C)C1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000111776026 1120158523 /nfs/dbraw/zinc/15/85/23/1120158523.db2.gz RPCICKFWLBZBIS-UHFFFAOYSA-N -1 1 290.407 3.512 20 0 CHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)s1 ZINC000111667731 1120266649 /nfs/dbraw/zinc/26/66/49/1120266649.db2.gz GEMCDAUUAYCKJQ-UHFFFAOYSA-N -1 1 281.764 3.976 20 0 CHADMM CC(C)CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000431861807 1120306011 /nfs/dbraw/zinc/30/60/11/1120306011.db2.gz ZFZZMCGEIPXPQJ-UHFFFAOYSA-N -1 1 296.436 3.592 20 0 CHADMM Cc1cc(O)cc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489324 1120310328 /nfs/dbraw/zinc/31/03/28/1120310328.db2.gz AXVVYXSNRJCOQG-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000387986378 1120351764 /nfs/dbraw/zinc/35/17/64/1120351764.db2.gz JCRYTBAEUPAEIK-MWLCHTKSSA-N -1 1 267.756 3.666 20 0 CHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211654861 1120509194 /nfs/dbraw/zinc/50/91/94/1120509194.db2.gz ALQYLHIACXCJDN-UHFFFAOYSA-N -1 1 299.305 3.532 20 0 CHADMM CCc1cccc(C)c1NC(=O)c1ccccc1[O-] ZINC000019837915 1120529871 /nfs/dbraw/zinc/52/98/71/1120529871.db2.gz VSVXKAIJUWNIGO-UHFFFAOYSA-N -1 1 255.317 3.515 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000019839929 1120529945 /nfs/dbraw/zinc/52/99/45/1120529945.db2.gz LIWFRJRYQGJAQU-CHWSQXEVSA-N -1 1 283.371 3.949 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc(Cl)n1 ZINC000192234156 1120537197 /nfs/dbraw/zinc/53/71/97/1120537197.db2.gz NNQNDOUCWPJPRG-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM CN(CCC(C)(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000399830666 1120541632 /nfs/dbraw/zinc/54/16/32/1120541632.db2.gz YIRNGPUFAGVMLR-UHFFFAOYSA-N -1 1 269.772 3.554 20 0 CHADMM CCO[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000901535200 1128927733 /nfs/dbraw/zinc/92/77/33/1128927733.db2.gz NQFQVUTXEKVFOY-LLVKDONJSA-N -1 1 290.388 3.632 20 0 CHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000432209381 1120687367 /nfs/dbraw/zinc/68/73/67/1120687367.db2.gz BMFNLINTQVSXJJ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1)CCCCC2 ZINC000109522711 1120785644 /nfs/dbraw/zinc/78/56/44/1120785644.db2.gz FGLJWHARWVKMFL-CYBMUJFWSA-N -1 1 276.767 3.619 20 0 CHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)s1 ZINC000048653269 1120836769 /nfs/dbraw/zinc/83/67/69/1120836769.db2.gz SHICLXKHWOPKAL-UHFFFAOYSA-N -1 1 299.392 3.559 20 0 CHADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001167822818 1120992341 /nfs/dbraw/zinc/99/23/41/1120992341.db2.gz KFPGTRABAKXCCL-MRXNPFEDSA-N -1 1 299.345 3.647 20 0 CHADMM [O-]c1cc(Nc2ccc3cc[nH]c3c2)cc(F)c1F ZINC001174750377 1121037369 /nfs/dbraw/zinc/03/73/69/1121037369.db2.gz MUBFRMHKKWULIK-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM Cc1ccc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001174886067 1121060251 /nfs/dbraw/zinc/06/02/51/1121060251.db2.gz RUJSIEUROIJHAZ-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM CCCCc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001175032048 1121151771 /nfs/dbraw/zinc/15/17/71/1121151771.db2.gz VHXWMDZIMNNBNT-UHFFFAOYSA-N -1 1 281.359 3.656 20 0 CHADMM CC(=O)c1c(F)cccc1Nc1c(F)ccc([O-])c1F ZINC001175269132 1121269772 /nfs/dbraw/zinc/26/97/72/1121269772.db2.gz DGOIOUDOPVQWIF-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1cc(C)ccc1Nc1c(F)ccc([O-])c1F ZINC001175270561 1121271416 /nfs/dbraw/zinc/27/14/16/1121271416.db2.gz FCPFIGVYYQTCQB-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM COc1ncc(C)cc1Nc1cc([O-])c(Cl)cc1F ZINC001175337425 1121289587 /nfs/dbraw/zinc/28/95/87/1121289587.db2.gz PDEFSLPKUNQYQE-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2ncccc2c1 ZINC001175378874 1121307281 /nfs/dbraw/zinc/30/72/81/1121307281.db2.gz ZNKFSWHTFCWECB-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM CCC[C@@H](C)c1cc([N-]c2cnc(OC)s2)on1 ZINC001175386505 1121309771 /nfs/dbraw/zinc/30/97/71/1121309771.db2.gz AFGRVTGITSLERO-MRVPVSSYSA-N -1 1 267.354 3.787 20 0 CHADMM COc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])s1 ZINC001175394438 1121313162 /nfs/dbraw/zinc/31/31/62/1121313162.db2.gz NPPJHYXXEDVOGW-UHFFFAOYSA-N -1 1 291.159 3.908 20 0 CHADMM COc1ncc(Nc2c(Cl)ccc([O-])c2Cl)s1 ZINC001175393805 1121313232 /nfs/dbraw/zinc/31/32/32/1121313232.db2.gz GCRZKRYXCUGOBY-UHFFFAOYSA-N -1 1 291.159 3.908 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cnc3n[nH]cc3c2)c1Cl ZINC001175405016 1121315559 /nfs/dbraw/zinc/31/55/59/1121315559.db2.gz UTKVZZDXMVWSSH-UHFFFAOYSA-N -1 1 295.129 3.714 20 0 CHADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000187433128 1121322595 /nfs/dbraw/zinc/32/25/95/1121322595.db2.gz IKZQFZKOXLNUIA-BLLLJJGKSA-N -1 1 283.371 3.806 20 0 CHADMM Cc1[nH]nc2ccc(Nc3ccccc3[S-])cc12 ZINC001175700279 1121417738 /nfs/dbraw/zinc/41/77/38/1121417738.db2.gz YCOUIQPITKSJLC-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Cn1ccc2c1cccc2Nc1c([O-])cc(F)cc1F ZINC001175866275 1121484482 /nfs/dbraw/zinc/48/44/82/1121484482.db2.gz SJMHUMJNCSDYBK-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM Cn1ccc2c1cccc2Nc1cc([O-])c(F)c(F)c1 ZINC001175867416 1121485690 /nfs/dbraw/zinc/48/56/90/1121485690.db2.gz LFAIPFGNICZHDE-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM Cc1cc(Nc2c([O-])cc(F)cc2F)cc(C)c1N ZINC001175930860 1121498865 /nfs/dbraw/zinc/49/88/65/1121498865.db2.gz CUROAWTVSOXKIR-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM [O-]c1c(F)c(F)ccc1NC=CCc1ccccc1 ZINC001176220636 1121578214 /nfs/dbraw/zinc/57/82/14/1121578214.db2.gz WGOWAVUXNUCBHP-ONNFQVAWSA-N -1 1 261.271 3.839 20 0 CHADMM Cc1cc([N-]c2nonc2C2CC2)c(F)cc1Cl ZINC001176525672 1121644056 /nfs/dbraw/zinc/64/40/56/1121644056.db2.gz CZLKBTLWOXCQSH-UHFFFAOYSA-N -1 1 267.691 3.792 20 0 CHADMM Cc1cc(C)nc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176581546 1121648013 /nfs/dbraw/zinc/64/80/13/1121648013.db2.gz IHRLEXJCEZKTFF-UHFFFAOYSA-N -1 1 282.343 3.558 20 0 CHADMM Cc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670550 1121671117 /nfs/dbraw/zinc/67/11/17/1121671117.db2.gz YQEJYVIZJSFRRZ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(OC)c1 ZINC001176669338 1121671171 /nfs/dbraw/zinc/67/11/71/1121671171.db2.gz HFXWXQRBUXCZCQ-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(C3CCC3)no2)c1F ZINC001176663909 1121671423 /nfs/dbraw/zinc/67/14/23/1121671423.db2.gz NLZIDYYMBULGAL-UHFFFAOYSA-N -1 1 284.237 3.809 20 0 CHADMM Cc1ccc(C)c(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176663775 1121671478 /nfs/dbraw/zinc/67/14/78/1121671478.db2.gz IFBAKQIHRTZKAN-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM COCc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671364 1121672606 /nfs/dbraw/zinc/67/26/06/1121672606.db2.gz XLBSLKDDENCZRB-UHFFFAOYSA-N -1 1 283.249 3.700 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)c(O)c(F)c2)c1F ZINC001176671783 1121672703 /nfs/dbraw/zinc/67/27/03/1121672703.db2.gz OUUCXKYTAARTSK-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM Cc1cccc(O)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673718 1121673106 /nfs/dbraw/zinc/67/31/06/1121673106.db2.gz XVBOZOAXSPLDMY-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM O=C(CSc1c(F)cc(F)cc1F)c1ccc([O-])cc1 ZINC000614390139 1121702869 /nfs/dbraw/zinc/70/28/69/1121702869.db2.gz PUTVHRDJOSPUDQ-UHFFFAOYSA-N -1 1 298.285 3.785 20 0 CHADMM CC(C)CCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176994736 1121705807 /nfs/dbraw/zinc/70/58/07/1121705807.db2.gz XLOWGFIYUYXPPT-UHFFFAOYSA-N -1 1 283.799 3.878 20 0 CHADMM CC(C)c1oncc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC001177844172 1121753807 /nfs/dbraw/zinc/75/38/07/1121753807.db2.gz ZVKDIFXOCIEAMV-UHFFFAOYSA-N -1 1 297.314 3.705 20 0 CHADMM Cc1ccc(Cc2cc([O-])c(F)c(F)c2F)cc1 ZINC001249876941 1121802612 /nfs/dbraw/zinc/80/26/12/1121802612.db2.gz ZQEDGCKSBKJHIS-UHFFFAOYSA-N -1 1 252.235 3.709 20 0 CHADMM COc1cccc(C(=O)Cc2c(Cl)ccc([O-])c2F)c1 ZINC001249901766 1121827747 /nfs/dbraw/zinc/82/77/47/1121827747.db2.gz DHRUNGKQOLGDDE-UHFFFAOYSA-N -1 1 294.709 3.619 20 0 CHADMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2ccc(Cl)cc12 ZINC000345204325 1121857541 /nfs/dbraw/zinc/85/75/41/1121857541.db2.gz NALLLMLPGMCHMH-UHFFFAOYSA-N -1 1 290.681 3.501 20 0 CHADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822388715 1121953807 /nfs/dbraw/zinc/95/38/07/1121953807.db2.gz WOUIQFPRRKUJIL-VXGBXAGGSA-N -1 1 299.370 3.512 20 0 CHADMM CC[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000733471525 1121993055 /nfs/dbraw/zinc/99/30/55/1121993055.db2.gz WNLHYVMWFLLMNC-CQSZACIVSA-N -1 1 292.281 3.979 20 0 CHADMM Cc1cc(F)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135331217 1122116248 /nfs/dbraw/zinc/11/62/48/1122116248.db2.gz SNEPRUYESLAXFQ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM [O-]c1c(F)cc(CCCOc2ccc(F)cc2)cc1F ZINC001250116510 1122228883 /nfs/dbraw/zinc/22/88/83/1122228883.db2.gz OIOHVGKQURDQLL-UHFFFAOYSA-N -1 1 282.261 3.821 20 0 CHADMM Cc1c2cc[nH]c2ncc1NCc1cccc([O-])c1Cl ZINC001184409978 1122276067 /nfs/dbraw/zinc/27/60/67/1122276067.db2.gz DJSBZSFFGMIOKG-UHFFFAOYSA-N -1 1 287.750 3.794 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1[O-])c1ccccc1 ZINC001185023917 1122308605 /nfs/dbraw/zinc/30/86/05/1122308605.db2.gz VUJXDRZACXFZHN-SECBINFHSA-N -1 1 292.285 3.553 20 0 CHADMM Nc1cc(Cl)ncc1Nc1c(F)ccc([O-])c1Cl ZINC001250228823 1122374507 /nfs/dbraw/zinc/37/45/07/1122374507.db2.gz MEKKYGJJXJXGRC-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM Cc1cnc(Nc2c(F)ccc([O-])c2Cl)c(Cl)n1 ZINC001250229251 1122374899 /nfs/dbraw/zinc/37/48/99/1122374899.db2.gz YBESXFVXKFNRRN-UHFFFAOYSA-N -1 1 288.109 3.680 20 0 CHADMM CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([O-])c(F)c1 ZINC001186234749 1122380685 /nfs/dbraw/zinc/38/06/85/1122380685.db2.gz ZYVFWHQQPKAARU-UKTHLTGXSA-N -1 1 291.366 3.954 20 0 CHADMM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC001186348494 1122384967 /nfs/dbraw/zinc/38/49/67/1122384967.db2.gz PTVURCDYWBWIOJ-TXEJJXNPSA-N -1 1 293.382 3.866 20 0 CHADMM C[C@H](NC(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC001186390054 1122388660 /nfs/dbraw/zinc/38/86/60/1122388660.db2.gz YMDZIJQOMWCLAB-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM CN1CCc2cc(Nc3c(F)ccc([O-])c3Cl)ccc21 ZINC001250238218 1122390906 /nfs/dbraw/zinc/39/09/06/1122390906.db2.gz XRPXNJSRYOOBQL-UHFFFAOYSA-N -1 1 292.741 3.921 20 0 CHADMM O=C(Nc1ccccc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564661 1122466346 /nfs/dbraw/zinc/46/63/46/1122466346.db2.gz XXQNVSKFQIDWJT-UHFFFAOYSA-N -1 1 281.233 3.663 20 0 CHADMM CCc1cc(=O)[n-]c(SCCCCc2ccccc2)n1 ZINC000436184007 1122518899 /nfs/dbraw/zinc/51/88/99/1122518899.db2.gz BSFSSRQAMIKKKU-UHFFFAOYSA-N -1 1 288.416 3.860 20 0 CHADMM CCc1ccc(CCSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000436242949 1122526419 /nfs/dbraw/zinc/52/64/19/1122526419.db2.gz GVQMMYGCAMXFOR-UHFFFAOYSA-N -1 1 288.416 3.642 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000436473948 1122554102 /nfs/dbraw/zinc/55/41/02/1122554102.db2.gz ASSJAAKDVGMULB-UHFFFAOYSA-N -1 1 298.367 3.612 20 0 CHADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000436483171 1122555122 /nfs/dbraw/zinc/55/51/22/1122555122.db2.gz BQYAHCAVWUIIPI-JOCQHMNTSA-N -1 1 299.345 3.516 20 0 CHADMM C[C@@H](c1ccccc1)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436533666 1122558302 /nfs/dbraw/zinc/55/83/02/1122558302.db2.gz MYCWYDKOSPDHKN-LBPRGKRZSA-N -1 1 299.345 3.897 20 0 CHADMM CSc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436553971 1122559629 /nfs/dbraw/zinc/55/96/29/1122559629.db2.gz JAZRNZUWCMOIEQ-UHFFFAOYSA-N -1 1 291.347 3.530 20 0 CHADMM CC(C)C[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436576231 1122560354 /nfs/dbraw/zinc/56/03/54/1122560354.db2.gz OSLMGQVKMKUJLT-CYBMUJFWSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1ccccc1C(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000436595506 1122563208 /nfs/dbraw/zinc/56/32/08/1122563208.db2.gz MQELDFJPOXLSNO-UHFFFAOYSA-N -1 1 287.334 3.505 20 0 CHADMM CC(C)C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436589558 1122564648 /nfs/dbraw/zinc/56/46/48/1122564648.db2.gz WJQVEKBDZDAKJZ-GFCCVEGCSA-N -1 1 295.810 3.944 20 0 CHADMM C[C@H](Cc1noc(-c2ccc([O-])cc2F)n1)c1ccccc1 ZINC000436685800 1122571973 /nfs/dbraw/zinc/57/19/73/1122571973.db2.gz BXSDBRAZJDMHSM-LLVKDONJSA-N -1 1 298.317 3.928 20 0 CHADMM C[C@H](c1noc(-c2ccc([O-])cc2F)n1)C(C)(C)C ZINC000436686619 1122572669 /nfs/dbraw/zinc/57/26/69/1122572669.db2.gz FPUCQCHNAILGJU-MRVPVSSYSA-N -1 1 264.300 3.731 20 0 CHADMM O=C(Cc1ccc([O-])c(Cl)c1)N(C1CCC1)C1CCC1 ZINC000633187743 1129064436 /nfs/dbraw/zinc/06/44/36/1129064436.db2.gz HFCMGKJCWFHAML-UHFFFAOYSA-N -1 1 293.794 3.522 20 0 CHADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])sn1 ZINC000436724199 1122574144 /nfs/dbraw/zinc/57/41/44/1122574144.db2.gz RSFZZDUMFLMABM-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436717966 1122574991 /nfs/dbraw/zinc/57/49/91/1122574991.db2.gz JGLMGXQNTJUIFC-GHMZBOCLSA-N -1 1 281.783 3.696 20 0 CHADMM O=C(NCCC1(F)CCC1)c1cc2ccccc2cc1[O-] ZINC000436731743 1122577580 /nfs/dbraw/zinc/57/75/80/1122577580.db2.gz APBNZVVZELRSBE-UHFFFAOYSA-N -1 1 287.334 3.558 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436796617 1122582960 /nfs/dbraw/zinc/58/29/60/1122582960.db2.gz WTLFZDHSKFJWSV-CQSZACIVSA-N -1 1 287.746 3.633 20 0 CHADMM COc1cc(Cl)c(NC(=O)c2ccccc2[O-])cc1C ZINC000436834721 1122585149 /nfs/dbraw/zinc/58/51/49/1122585149.db2.gz ABKWXMVTIMJYCM-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])NC1CCCCCC1 ZINC001191269978 1122587540 /nfs/dbraw/zinc/58/75/40/1122587540.db2.gz DKWCVQDVRLJPRE-UHFFFAOYSA-N -1 1 282.771 3.890 20 0 CHADMM CCN(C(=O)c1ccc([O-])cc1F)c1cc(C)cc(C)c1 ZINC000436882033 1122591327 /nfs/dbraw/zinc/59/13/27/1122591327.db2.gz WQPDOLUQCUABER-UHFFFAOYSA-N -1 1 287.334 3.815 20 0 CHADMM CC(C)[C@]1(C)C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877509 1122591345 /nfs/dbraw/zinc/59/13/45/1122591345.db2.gz GYNIGAYHHRAZAB-BMIGLBTASA-N -1 1 276.311 3.731 20 0 CHADMM Cc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436888443 1122592605 /nfs/dbraw/zinc/59/26/05/1122592605.db2.gz SAXUOADFOSVLFJ-UHFFFAOYSA-N -1 1 268.272 3.543 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC(C2CCCC2)C1 ZINC000436910009 1122593527 /nfs/dbraw/zinc/59/35/27/1122593527.db2.gz MTOQSVCDUVNYDN-UHFFFAOYSA-N -1 1 295.382 3.808 20 0 CHADMM O=c1cc(C=Cc2ccc([O-])c(Cl)c2)nc(C2CC2)[nH]1 ZINC000436932037 1122594892 /nfs/dbraw/zinc/59/48/92/1122594892.db2.gz MDYGDTKBOSKMGU-KTAJNNJTSA-N -1 1 288.734 3.589 20 0 CHADMM Cc1cc(C)c(NC(=O)c2cc([O-])cc(F)c2F)cc1C ZINC001192671147 1122655002 /nfs/dbraw/zinc/65/50/02/1122655002.db2.gz UNMRHPBBVMJNOS-UHFFFAOYSA-N -1 1 291.297 3.848 20 0 CHADMM C[C@H](CC(C)(C)C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633380789 1129071281 /nfs/dbraw/zinc/07/12/81/1129071281.db2.gz BHUNAIXOGBZBNM-SNVBAGLBSA-N -1 1 283.799 3.529 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)OC1CCCCC1 ZINC001193629584 1122702311 /nfs/dbraw/zinc/70/23/11/1122702311.db2.gz PWFQCXAVNBOFEQ-UHFFFAOYSA-N -1 1 271.263 3.552 20 0 CHADMM CCCCOC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001193702675 1122712696 /nfs/dbraw/zinc/71/26/96/1122712696.db2.gz KHLVYBHUOUCJIC-UHFFFAOYSA-N -1 1 261.680 3.533 20 0 CHADMM CCc1oc(C(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000153627343 1129073540 /nfs/dbraw/zinc/07/35/40/1129073540.db2.gz BUXSUFMEUBAKIC-UHFFFAOYSA-N -1 1 279.723 3.762 20 0 CHADMM CC(C)(C)COC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001194386101 1122770997 /nfs/dbraw/zinc/77/09/97/1122770997.db2.gz BTQVOYRZHKCLLX-UHFFFAOYSA-N -1 1 257.717 3.640 20 0 CHADMM COc1ccc(OC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001194534964 1122783322 /nfs/dbraw/zinc/78/33/22/1122783322.db2.gz MAUOUGHQNWJNLF-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM CCC(CC)COC(=O)Nc1cc([O-])c(F)cc1F ZINC001194706503 1122795940 /nfs/dbraw/zinc/79/59/40/1122795940.db2.gz GZLOOGXRMNQDNL-UHFFFAOYSA-N -1 1 273.279 3.655 20 0 CHADMM CC(C)(C)CC(C)(C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000519532648 1122855074 /nfs/dbraw/zinc/85/50/74/1122855074.db2.gz MIKJPPUAMWJKLP-UHFFFAOYSA-N -1 1 281.347 3.606 20 0 CHADMM Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000048743214 1122863632 /nfs/dbraw/zinc/86/36/32/1122863632.db2.gz WWWSJKLGQWYSMM-SECBINFHSA-N -1 1 295.791 3.907 20 0 CHADMM O=C([O-])[C@@H](CC1CCCC1)NCc1cc2ccccc2o1 ZINC000426721483 1122910933 /nfs/dbraw/zinc/91/09/33/1122910933.db2.gz SGZQEADHXATZFK-OAHLLOKOSA-N -1 1 287.359 3.556 20 0 CHADMM [O-]c1c(F)cc(F)cc1NC(=S)Nc1ccc(F)cc1 ZINC001196948466 1122940897 /nfs/dbraw/zinc/94/08/97/1122940897.db2.gz DIBOGBZWDGKGJK-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM C[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2[O-])C[C@@H](C)C1 ZINC000507324393 1122948349 /nfs/dbraw/zinc/94/83/49/1122948349.db2.gz JIXAYPWTBPRVDU-URLYPYJESA-N -1 1 265.328 3.542 20 0 CHADMM [O-]c1cnc(Cl)cc1-c1nc2c(ccc(F)c2Cl)[nH]1 ZINC001251251269 1122955189 /nfs/dbraw/zinc/95/51/89/1122955189.db2.gz AAQOLEMIQYUEOP-UHFFFAOYSA-N -1 1 298.104 3.776 20 0 CHADMM Cc1ccc(NC(=S)Nc2ccc(F)cc2[O-])c(C)c1 ZINC001197989387 1122978549 /nfs/dbraw/zinc/97/85/49/1122978549.db2.gz PYGTWPZEOHXSRQ-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM CCC[C@@H](OC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664896599 1122998626 /nfs/dbraw/zinc/99/86/26/1122998626.db2.gz UPMLMUSUSOEXMO-GFCCVEGCSA-N -1 1 294.376 3.652 20 0 CHADMM O=C(Nc1ccc(C2CC2)cc1F)c1ccc(F)c([O-])c1 ZINC001152802277 1123060863 /nfs/dbraw/zinc/06/08/63/1123060863.db2.gz AIEJDIOTKZARCA-UHFFFAOYSA-N -1 1 289.281 3.800 20 0 CHADMM CC[C@@H](C)[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000048866457 1123083600 /nfs/dbraw/zinc/08/36/00/1123083600.db2.gz XUDZHGDNPUGAKM-NEPJUHHUSA-N -1 1 271.360 3.710 20 0 CHADMM COc1nc(C(C)C)ccc1Nc1ccnc(Cl)c1[O-] ZINC001201437434 1123103914 /nfs/dbraw/zinc/10/39/14/1123103914.db2.gz XAFUYTWRUVIECA-UHFFFAOYSA-N -1 1 293.754 3.711 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1ccc([O-])c(F)c1F ZINC001202248270 1123193758 /nfs/dbraw/zinc/19/37/58/1123193758.db2.gz WIIISTGQHFFCOB-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc(F)cc(F)c1[O-] ZINC001202248527 1123193840 /nfs/dbraw/zinc/19/38/40/1123193840.db2.gz LZLULEALOAPGLM-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ncc1[O-] ZINC001202366390 1123202541 /nfs/dbraw/zinc/20/25/41/1123202541.db2.gz BMNVOZCACJJACT-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM CC[C@@H](C)CN(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443272698 1123381364 /nfs/dbraw/zinc/38/13/64/1123381364.db2.gz GXOTYHKJYGNEGA-SNVBAGLBSA-N -1 1 299.798 3.562 20 0 CHADMM Cc1cnc(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000010624483 1123411197 /nfs/dbraw/zinc/41/11/97/1123411197.db2.gz ULVYCVWBMAILCQ-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM C[C@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCCC2 ZINC000634601236 1129120772 /nfs/dbraw/zinc/12/07/72/1129120772.db2.gz GKXWINAOZWUHKJ-MFKMUULPSA-N -1 1 276.767 3.789 20 0 CHADMM CCc1c(C)[n-]n(Cc2c(OC)ccc3ccccc32)c1=O ZINC000634630721 1129122330 /nfs/dbraw/zinc/12/23/30/1129122330.db2.gz CLRWOKCEZFQPRX-AWEZNQCLSA-N -1 1 296.370 3.593 20 0 CHADMM O=C(CCCC(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885676917 1123481003 /nfs/dbraw/zinc/48/10/03/1123481003.db2.gz WUHLWPFNIDUDGN-UHFFFAOYSA-N -1 1 299.651 3.856 20 0 CHADMM O=C(Nc1cccc(CC(F)(F)F)c1)c1ccccc1[O-] ZINC000033963616 1123488494 /nfs/dbraw/zinc/48/84/94/1123488494.db2.gz OTRABESIKMOYBK-UHFFFAOYSA-N -1 1 295.260 3.749 20 0 CHADMM CC[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccc(C)cc1 ZINC000909530551 1123534960 /nfs/dbraw/zinc/53/49/60/1123534960.db2.gz CFSBEHJRXMRKHT-HNNXBMFYSA-N -1 1 298.386 3.522 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](C2CCC2)C1 ZINC000856174569 1123550383 /nfs/dbraw/zinc/55/03/83/1123550383.db2.gz ZZKAHKPSTWSXAN-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2ccccc2n1 ZINC000339007989 1123623954 /nfs/dbraw/zinc/62/39/54/1123623954.db2.gz YYBZEQQKKCRDCW-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM O=c1nc(N[C@@H]2CCCCC23CCCC3)cc(Cl)[n-]1 ZINC000858553258 1123661691 /nfs/dbraw/zinc/66/16/91/1123661691.db2.gz NATWYTPTQBDEEI-SNVBAGLBSA-N -1 1 281.787 3.751 20 0 CHADMM Cc1ccc([C@H](C)Oc2[n-]c(=S)ncc2F)c(C)c1 ZINC001227382271 1123751456 /nfs/dbraw/zinc/75/14/56/1123751456.db2.gz CJAIIVPVXOWNFF-JTQLQIEISA-N -1 1 278.352 3.661 20 0 CHADMM Cc1coc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336334066 1123762076 /nfs/dbraw/zinc/76/20/76/1123762076.db2.gz VZHDEYFAAMYIPY-UHFFFAOYSA-N -1 1 265.696 3.508 20 0 CHADMM CO[C@@H](C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862294463 1123799216 /nfs/dbraw/zinc/79/92/16/1123799216.db2.gz KLXGWKGLARSORA-VIFPVBQESA-N -1 1 293.750 3.562 20 0 CHADMM CC(C)c1nsc([N-]c2cnn([C@H](C)C3CC3)c2)n1 ZINC000302391952 1123967747 /nfs/dbraw/zinc/96/77/47/1123967747.db2.gz IKWIMXKIDHMVLC-SECBINFHSA-N -1 1 277.397 3.573 20 0 CHADMM C[C@@H]1CCC(C)(C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000923982101 1124032680 /nfs/dbraw/zinc/03/26/80/1124032680.db2.gz GPVMLRQITBEZCA-SNVBAGLBSA-N -1 1 296.798 3.518 20 0 CHADMM CCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000445481261 1124086904 /nfs/dbraw/zinc/08/69/04/1124086904.db2.gz MIMDATRIPKJEIV-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM CSc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445476276 1124087368 /nfs/dbraw/zinc/08/73/68/1124087368.db2.gz ARDGQCOGAIAULU-UHFFFAOYSA-N -1 1 292.291 3.563 20 0 CHADMM O=C([O-])c1ccc(-c2ccc(C3=NCCC3)cc2)c(F)c1 ZINC001239254037 1131308249 /nfs/dbraw/zinc/30/82/49/1131308249.db2.gz HZWMDOMJUKVRBL-UHFFFAOYSA-N -1 1 283.302 3.774 20 0 CHADMM COc1cnc(C=Cc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000821007137 1131317078 /nfs/dbraw/zinc/31/70/78/1131317078.db2.gz DEFPTIGKECSEPA-HWKANZROSA-N -1 1 297.141 3.668 20 0 CHADMM CC(C)CC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005892 1125113397 /nfs/dbraw/zinc/11/33/97/1125113397.db2.gz NJHYQKRYDJQGTJ-UHFFFAOYSA-N -1 1 253.317 3.542 20 0 CHADMM CC(C)(CC(=O)Nc1ccc([O-])c(F)c1F)CC(F)F ZINC000880237210 1125257859 /nfs/dbraw/zinc/25/78/59/1125257859.db2.gz SZANXCORELDJAE-UHFFFAOYSA-N -1 1 293.260 3.680 20 0 CHADMM C/C(=C\c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000760196782 1125290188 /nfs/dbraw/zinc/29/01/88/1125290188.db2.gz WDSHDZQQZKVHNQ-MDZDMXLPSA-N -1 1 289.281 3.712 20 0 CHADMM c1ccc(-c2ccc(-c3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC001239492520 1131346130 /nfs/dbraw/zinc/34/61/30/1131346130.db2.gz MTFRGAZHVHIBDJ-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM c1ccc(-c2ccc(-c3ccc(-c4nn[n-]n4)nc3)cc2)cc1 ZINC001239492520 1131346131 /nfs/dbraw/zinc/34/61/31/1131346131.db2.gz MTFRGAZHVHIBDJ-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000666170761 1125305899 /nfs/dbraw/zinc/30/58/99/1125305899.db2.gz ZOKRBHSESZJSAA-JSGCOSHPSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1ccc2c([N-]c3nnc(C(C)C)o3)cccc2n1 ZINC001212794182 1125413130 /nfs/dbraw/zinc/41/31/30/1125413130.db2.gz NOHBYNDPYAMCKS-UHFFFAOYSA-N -1 1 268.320 3.793 20 0 CHADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC001137190965 1125415177 /nfs/dbraw/zinc/41/51/77/1125415177.db2.gz AGCXYTWFRIOZIO-PWSUYJOCSA-N -1 1 295.810 3.990 20 0 CHADMM C[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136511403 1131353851 /nfs/dbraw/zinc/35/38/51/1131353851.db2.gz DGHOMDMMWUDVAR-YPMHNXCESA-N -1 1 295.810 3.531 20 0 CHADMM CCC1(CC)CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000622549989 1129265658 /nfs/dbraw/zinc/26/56/58/1129265658.db2.gz UNOWMLGLCYOHOB-UHFFFAOYSA-N -1 1 293.382 3.964 20 0 CHADMM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(C)cc1 ZINC001136536368 1131362650 /nfs/dbraw/zinc/36/26/50/1131362650.db2.gz YRXVVJVDDAOEHA-OAHLLOKOSA-N -1 1 287.334 3.721 20 0 CHADMM COc1cnc(-c2cc(F)ccc2[O-])c2ccccc12 ZINC001240694004 1129320357 /nfs/dbraw/zinc/32/03/57/1129320357.db2.gz LYYUSCHXNOXIHM-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM CC[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000738648218 1129396392 /nfs/dbraw/zinc/39/63/92/1129396392.db2.gz CHYYHSHFFGZHFD-LURJTMIESA-N -1 1 263.120 3.654 20 0 CHADMM Cc1cc2cc[nH]c2c(-c2c(F)cc([O-])cc2F)n1 ZINC001241118166 1129456769 /nfs/dbraw/zinc/45/67/69/1129456769.db2.gz KURHBEBHUKHAEJ-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM CSc1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124517 1129460528 /nfs/dbraw/zinc/46/05/28/1129460528.db2.gz HGNCWZKXDCPJRY-UHFFFAOYSA-N -1 1 267.300 3.763 20 0 CHADMM CCCCCC[C@](C)(CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000742607121 1129490496 /nfs/dbraw/zinc/49/04/96/1129490496.db2.gz UKEFCPSHRNRWNQ-HOCLYGCPSA-N -1 1 285.428 3.948 20 0 CHADMM [O-]c1cccc(CNC2(C(F)F)CCCC2)c1Cl ZINC000645181871 1129490994 /nfs/dbraw/zinc/49/09/94/1129490994.db2.gz ZLOPNCJZKJTPHN-UHFFFAOYSA-N -1 1 275.726 3.713 20 0 CHADMM CC(C)(F)c1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290633 1129507695 /nfs/dbraw/zinc/50/76/95/1129507695.db2.gz CDVIEUHCRIKUGY-UHFFFAOYSA-N -1 1 267.250 3.937 20 0 CHADMM [O-]c1ccc(F)c(-c2nccc(C(F)(F)F)c2F)c1F ZINC001241291017 1129507779 /nfs/dbraw/zinc/50/77/79/1129507779.db2.gz UBVWFYSMRCINOG-UHFFFAOYSA-N -1 1 293.166 3.890 20 0 CHADMM Cc1csc2c1ncnc2-c1c(F)ccc([O-])c1F ZINC001241291700 1129508827 /nfs/dbraw/zinc/50/88/27/1129508827.db2.gz SCTQIXIIIGJNII-UHFFFAOYSA-N -1 1 278.283 3.651 20 0 CHADMM CSCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744976342 1129590981 /nfs/dbraw/zinc/59/09/81/1129590981.db2.gz GTKZAHVLDHZWMA-UHFFFAOYSA-N -1 1 295.187 3.609 20 0 CHADMM CCCc1cc(=O)[n-]c(SC/C(Cl)=C/Cl)n1 ZINC000746143421 1129627674 /nfs/dbraw/zinc/62/76/74/1129627674.db2.gz LANDFYHLZXKCMH-ALCCZGGFSA-N -1 1 279.192 3.546 20 0 CHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648841156 1129627903 /nfs/dbraw/zinc/62/79/03/1129627903.db2.gz DWBSXZNHTBHSFX-VHSXEESVSA-N -1 1 265.328 3.542 20 0 CHADMM c1nn(CC2CC2)cc1[N-]c1nc(-c2ccccc2)ns1 ZINC000185500898 1129632575 /nfs/dbraw/zinc/63/25/75/1129632575.db2.gz DORMMDBXTORCAU-UHFFFAOYSA-N -1 1 297.387 3.555 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C3CCCC3)n2)cc1F ZINC000650590673 1129714788 /nfs/dbraw/zinc/71/47/88/1129714788.db2.gz FGLZGLDWNXUABV-NEPJUHHUSA-N -1 1 288.322 3.875 20 0 CHADMM Nc1cccc2c1c(Cl)nn2-c1ccc(Cl)c([O-])c1 ZINC001212594488 1129754254 /nfs/dbraw/zinc/75/42/54/1129754254.db2.gz ZXLCODQHPGEIRK-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(C)C ZINC000652940642 1129773222 /nfs/dbraw/zinc/77/32/22/1129773222.db2.gz VWFFHSZHUXOGST-MRVPVSSYSA-N -1 1 289.297 3.575 20 0 CHADMM Cc1cc2cnc(-c3cccc(C)c3[O-])nc2s1 ZINC001242344133 1129784513 /nfs/dbraw/zinc/78/45/13/1129784513.db2.gz BUJHDULQYOQWHE-UHFFFAOYSA-N -1 1 256.330 3.681 20 0 CHADMM CCOC(=O)Cc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364375 1129795873 /nfs/dbraw/zinc/79/58/73/1129795873.db2.gz KAMWAERATYIPRM-UHFFFAOYSA-N -1 1 290.746 3.818 20 0 CHADMM CC(C)(C)c1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242365747 1129796841 /nfs/dbraw/zinc/79/68/41/1129796841.db2.gz JLRBEDJSVAARLZ-UHFFFAOYSA-N -1 1 262.740 3.800 20 0 CHADMM C[C@@H]1C(=O)Nc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364141 1129797702 /nfs/dbraw/zinc/79/77/02/1129797702.db2.gz DIWQBMPXTDSZLZ-QMMMGPOBSA-N -1 1 273.719 3.768 20 0 CHADMM COC(=O)Nc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242367708 1129798737 /nfs/dbraw/zinc/79/87/37/1129798737.db2.gz QIXFUGVGQYPNLF-UHFFFAOYSA-N -1 1 277.707 3.891 20 0 CHADMM CSc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000768113779 1129833207 /nfs/dbraw/zinc/83/32/07/1129833207.db2.gz RLGRSAORKROPSP-UHFFFAOYSA-N -1 1 291.347 3.530 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccc(CC)cc3)ccc2[n-]1 ZINC001239587372 1131401898 /nfs/dbraw/zinc/40/18/98/1131401898.db2.gz GZPZXCFJMFKBGJ-UHFFFAOYSA-N -1 1 294.354 3.969 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccc(CC)cc3)cc2[n-]1 ZINC001239587372 1131401901 /nfs/dbraw/zinc/40/19/01/1131401901.db2.gz GZPZXCFJMFKBGJ-UHFFFAOYSA-N -1 1 294.354 3.969 20 0 CHADMM CC1(C)CO[C@@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000901162924 1129910448 /nfs/dbraw/zinc/91/04/48/1129910448.db2.gz PZUYJAWZYUWMSF-NSHDSACASA-N -1 1 297.782 3.579 20 0 CHADMM CC[C@H](C)C[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901684597 1129944181 /nfs/dbraw/zinc/94/41/81/1129944181.db2.gz VVWSMLDWBJMSCD-SCRDCRAPSA-N -1 1 289.375 3.973 20 0 CHADMM C[C@H]1CCN(Cc2ccc(C(C)(C)C)s2)[C@H](C(=O)[O-])C1 ZINC000902010871 1129971474 /nfs/dbraw/zinc/97/14/74/1129971474.db2.gz DPWUGEJZTFSGRC-AAEUAGOBSA-N -1 1 295.448 3.731 20 0 CHADMM CCC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000902071294 1129977650 /nfs/dbraw/zinc/97/76/50/1129977650.db2.gz CXGTXVFOFJNHHI-MRXNPFEDSA-N -1 1 287.359 3.917 20 0 CHADMM Cc1cc(C)c(CNCc2ccc(/C=C\C(=O)[O-])o2)c(C)c1 ZINC000902110879 1129981489 /nfs/dbraw/zinc/98/14/89/1129981489.db2.gz YGLHGVNNBSECGB-SREVYHEPSA-N -1 1 299.370 3.592 20 0 CHADMM CC[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(C)cc1 ZINC000902214828 1129989557 /nfs/dbraw/zinc/98/95/57/1129989557.db2.gz SIKDVVRVIIHWPU-QXPKXGMISA-N -1 1 299.370 3.927 20 0 CHADMM Cc1cc(CN[C@H]2CC(C)(C)c3ccccc32)oc1C(=O)[O-] ZINC000902263192 1129994793 /nfs/dbraw/zinc/99/47/93/1129994793.db2.gz LEFQLRZKVFAGFJ-HNNXBMFYSA-N -1 1 299.370 3.798 20 0 CHADMM Cc1cccc(C(C)(C)NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902286247 1129996663 /nfs/dbraw/zinc/99/66/63/1129996663.db2.gz LGDUVLHGHJWNQF-MDZDMXLPSA-N -1 1 299.370 3.711 20 0 CHADMM CC(C)(C)Oc1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242799039 1130052327 /nfs/dbraw/zinc/05/23/27/1130052327.db2.gz QSHMFNWTEQUVJK-UHFFFAOYSA-N -1 1 278.739 3.680 20 0 CHADMM COC(=O)c1cccc(-c2cccc([O-])c2Cl)c1C ZINC001242799249 1130052466 /nfs/dbraw/zinc/05/24/66/1130052466.db2.gz AWBUJQJLBDCOIC-UHFFFAOYSA-N -1 1 276.719 3.808 20 0 CHADMM [O-]c1cccc(-c2cnc(-c3ccco3)cn2)c1Cl ZINC001242797783 1130048675 /nfs/dbraw/zinc/04/86/75/1130048675.db2.gz LWSWHVYQQKYIEA-UHFFFAOYSA-N -1 1 272.691 3.763 20 0 CHADMM [O-]c1cccc(-c2ccc3cnccc3n2)c1Cl ZINC001242797044 1130049594 /nfs/dbraw/zinc/04/95/94/1130049594.db2.gz FSAAEWGIUYKJJN-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM CSCc1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242801769 1130058796 /nfs/dbraw/zinc/05/87/96/1130058796.db2.gz YQCMVCNOXPLKJU-UHFFFAOYSA-N -1 1 265.765 3.971 20 0 CHADMM CCOc1ccc(N(C)C(=O)c2ccc(CC)cc2[O-])cc1 ZINC000787022377 1130126036 /nfs/dbraw/zinc/12/60/36/1130126036.db2.gz PPMKWBPWURUTOX-UHFFFAOYSA-N -1 1 299.370 3.630 20 0 CHADMM CCc1ccc(N(CC(C)C)C(=O)c2cncc([O-])c2)cc1 ZINC000803284756 1130130403 /nfs/dbraw/zinc/13/04/03/1130130403.db2.gz FWGWTFUYEMXQNJ-UHFFFAOYSA-N -1 1 298.386 3.652 20 0 CHADMM CC[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000789930011 1130281750 /nfs/dbraw/zinc/28/17/50/1130281750.db2.gz MSZALMMAELQTSK-LLVKDONJSA-N -1 1 290.750 3.573 20 0 CHADMM Cc1c2nc[nH]c2ccc1-c1ccc([O-])c(F)c1F ZINC001243342688 1130387184 /nfs/dbraw/zinc/38/71/84/1130387184.db2.gz OMGGXJYNDJEGHZ-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(OCC(F)(F)F)ccn1 ZINC001240693728 1130421341 /nfs/dbraw/zinc/42/13/41/1130421341.db2.gz XHPWBKCOIDUDDQ-UHFFFAOYSA-N -1 1 287.212 3.534 20 0 CHADMM CCCN(CCC)c1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240693739 1130421559 /nfs/dbraw/zinc/42/15/59/1130421559.db2.gz HLACVUBJOZWDMA-UHFFFAOYSA-N -1 1 289.354 3.615 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(Oc2ccccc2)ncn1 ZINC001240693216 1130421583 /nfs/dbraw/zinc/42/15/83/1130421583.db2.gz HMLQKIUYPOIEAI-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM COc1ccc(C(F)(F)F)nc1-c1ccc([O-])c(F)c1 ZINC001240781970 1130467827 /nfs/dbraw/zinc/46/78/27/1130467827.db2.gz NEPQLLFNLWODFS-UHFFFAOYSA-N -1 1 287.212 3.621 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3ccccc3)nn2)cc1F ZINC001240782870 1130468376 /nfs/dbraw/zinc/46/83/76/1130468376.db2.gz HSVXIERJTJHRIA-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1cccc(-c2ncco2)c1 ZINC001243502380 1130515736 /nfs/dbraw/zinc/51/57/36/1130515736.db2.gz LAUBAKVMLVJCGM-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c2[nH]ccc21 ZINC001243501809 1130515755 /nfs/dbraw/zinc/51/57/55/1130515755.db2.gz CHMYDKAGBVZMOJ-UHFFFAOYSA-N -1 1 275.254 3.827 20 0 CHADMM Cc1nc2ccc(-c3cc(F)cc(F)c3[O-])cc2o1 ZINC001243506174 1130518593 /nfs/dbraw/zinc/51/85/93/1130518593.db2.gz ZBHNYLXVZJHBMG-UHFFFAOYSA-N -1 1 261.227 3.787 20 0 CHADMM CCC/C(C)=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780991798 1130698259 /nfs/dbraw/zinc/69/82/59/1130698259.db2.gz NQSDPGJQEPRAQH-CLFYSBASSA-N -1 1 253.729 3.731 20 0 CHADMM Cc1cccc([C@H](C)OC(=O)c2ccc([O-])cc2F)c1 ZINC000784518680 1130908573 /nfs/dbraw/zinc/90/85/73/1130908573.db2.gz RHSLTQAISZUSNM-NSHDSACASA-N -1 1 274.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2cc(N3CCCCC3)ccn2)c1[O-] ZINC001236390228 1130925044 /nfs/dbraw/zinc/92/50/44/1130925044.db2.gz IKMWWRYOSJWJEE-UHFFFAOYSA-N -1 1 286.350 3.892 20 0 CHADMM Cc1ccc(F)c(-c2ccnc(-c3ccccc3)n2)c1[O-] ZINC001236390107 1130925531 /nfs/dbraw/zinc/92/55/31/1130925531.db2.gz HSRWJEXSGYISEV-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1cc2cc(-c3c(F)ccc(C)c3[O-])ncc2[nH]1 ZINC001236389803 1130925595 /nfs/dbraw/zinc/92/55/95/1130925595.db2.gz GQDNTOGNYUNZOR-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2C(F)(F)F)c1[O-] ZINC001236390318 1130925609 /nfs/dbraw/zinc/92/56/09/1130925609.db2.gz IXDWOBYDAKDERG-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3cccc(F)c32)c1[O-] ZINC001236391290 1130925696 /nfs/dbraw/zinc/92/56/96/1130925696.db2.gz IGLQPDVESOJAOH-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM COC(OC)c1cc(C)cnc1-c1c(F)ccc(C)c1[O-] ZINC001236392451 1130926625 /nfs/dbraw/zinc/92/66/25/1130926625.db2.gz RIFHBIGMISVXLI-UHFFFAOYSA-N -1 1 291.322 3.502 20 0 CHADMM [O-]c1ccc(F)c(-c2cnc(C(F)(F)F)nc2)c1Cl ZINC001245831136 1131200938 /nfs/dbraw/zinc/20/09/38/1131200938.db2.gz GOOYZCKGLZMJOJ-UHFFFAOYSA-N -1 1 292.619 3.661 20 0 CHADMM O=C1OCc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245833019 1131202886 /nfs/dbraw/zinc/20/28/86/1131202886.db2.gz RUBLIOGSQQKGQB-UHFFFAOYSA-N -1 1 278.666 3.522 20 0 CHADMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000818809057 1131220893 /nfs/dbraw/zinc/22/08/93/1131220893.db2.gz IEOJWNNRWVBRPV-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM Cc1cccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC001137765389 1131414575 /nfs/dbraw/zinc/41/45/75/1131414575.db2.gz WHTFFCZVKRTYET-NSHDSACASA-N -1 1 289.762 3.845 20 0 CHADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc([O-])cc1F ZINC001136802131 1131447819 /nfs/dbraw/zinc/44/78/19/1131447819.db2.gz MENMCIQGVBTHGY-QGZVFWFLSA-N -1 1 299.345 3.681 20 0 CHADMM CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc([O-])c1F ZINC001136860513 1131464459 /nfs/dbraw/zinc/46/44/59/1131464459.db2.gz TVRVDRGQCILUCB-ZDUSSCGKSA-N -1 1 293.382 3.962 20 0 CHADMM CCCC[C@@](C)(F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000830776745 1131467996 /nfs/dbraw/zinc/46/79/96/1131467996.db2.gz VLBNAKOMTHBZCJ-CYBMUJFWSA-N -1 1 273.735 3.903 20 0 CHADMM CN(Cc1ccc(Cl)cc1)Cc1c(F)cc([O-])cc1F ZINC001144554964 1131655839 /nfs/dbraw/zinc/65/58/39/1131655839.db2.gz OPVIKBXGOJVVBA-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CCc1ccc(CN(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144558757 1131658889 /nfs/dbraw/zinc/65/88/89/1131658889.db2.gz CINFHLMMHSHTJJ-UHFFFAOYSA-N -1 1 291.341 3.865 20 0 CHADMM C[C@H]1CN(Cc2cc(F)c([O-])cc2F)Cc2ccccc21 ZINC001144646917 1131674174 /nfs/dbraw/zinc/67/41/74/1131674174.db2.gz QENPGNPABZBJLI-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM CN(Cc1cc(F)c([O-])cc1F)Cc1cccc(F)c1F ZINC001144659350 1131679230 /nfs/dbraw/zinc/67/92/30/1131679230.db2.gz FFLMJDBOLBVEBB-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC001144745794 1131700768 /nfs/dbraw/zinc/70/07/68/1131700768.db2.gz NFHGLIFRSUNLRT-WCQYABFASA-N -1 1 295.810 3.990 20 0 CHADMM C[C@@H]1CCC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227882592 1131759480 /nfs/dbraw/zinc/75/94/80/1131759480.db2.gz YEHUPBXUOHJUSK-NXEZZACHSA-N -1 1 275.377 3.645 20 0 CHADMM CCOc1cc(C)c(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001203046623 1131790507 /nfs/dbraw/zinc/79/05/07/1131790507.db2.gz VHHNGKOVUNXPOT-UHFFFAOYSA-N -1 1 280.274 3.516 20 0 CHADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001146550319 1131790994 /nfs/dbraw/zinc/79/09/94/1131790994.db2.gz FHVJQONUMKGDSM-HUUCEWRRSA-N -1 1 299.345 3.820 20 0 CHADMM CC[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001147262281 1131817969 /nfs/dbraw/zinc/81/79/69/1131817969.db2.gz JDIGWCRVMQUTTD-AAEUAGOBSA-N -1 1 295.810 3.673 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000044352674 1131831818 /nfs/dbraw/zinc/83/18/18/1131831818.db2.gz OICQFHVGGUFPHZ-CQSZACIVSA-N -1 1 293.794 3.840 20 0 CHADMM CC(C)(NC(=O)c1cccc(-c2ccccc2)c1[O-])C1CC1 ZINC001148870351 1131875594 /nfs/dbraw/zinc/87/55/94/1131875594.db2.gz UHSHOAXBNDLPMX-UHFFFAOYSA-N -1 1 295.382 3.978 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)CC(C)C ZINC001228557114 1131908898 /nfs/dbraw/zinc/90/88/98/1131908898.db2.gz UWMTVNRIDULLQU-SNVBAGLBSA-N -1 1 266.337 3.504 20 0 CHADMM [O-]c1c(Cl)cc(CN2C3CCC2CC3)cc1Cl ZINC001140832149 1131941908 /nfs/dbraw/zinc/94/19/08/1131941908.db2.gz AWCVFRKHDXIQPN-UHFFFAOYSA-N -1 1 272.175 3.826 20 0 CHADMM O=C(C[C@H]1CCCC1(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000713987779 1131967714 /nfs/dbraw/zinc/96/77/14/1131967714.db2.gz FTUPJCAFEWXFKX-MRVPVSSYSA-N -1 1 289.709 3.810 20 0 CHADMM C[C@H]1CCC[C@H](C)C1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135914 1132025003 /nfs/dbraw/zinc/02/50/03/1132025003.db2.gz SHIUWIJMWWAFJR-QWRGUYRKSA-N -1 1 288.343 3.702 20 0 CHADMM C[C@@H]1CCC[C@@H](C)C1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135912 1132025343 /nfs/dbraw/zinc/02/53/43/1132025343.db2.gz SHIUWIJMWWAFJR-GHMZBOCLSA-N -1 1 288.343 3.702 20 0 CHADMM O=C(Nc1ccc2occc2c1)c1cccc([O-])c1F ZINC001171632515 1132064113 /nfs/dbraw/zinc/06/41/13/1132064113.db2.gz DSRZLTCSSHKIFM-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)Cc1ccco1 ZINC001229478375 1132072374 /nfs/dbraw/zinc/07/23/74/1132072374.db2.gz VZSCQTBROPCYEL-NSHDSACASA-N -1 1 274.316 3.588 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCC[C@@H](C)C1 ZINC001229475381 1132072712 /nfs/dbraw/zinc/07/27/12/1132072712.db2.gz VPBMZZICNUAYJR-YPMHNXCESA-N -1 1 262.349 3.942 20 0 CHADMM O=C(/C=C/c1ccc(Cl)s1)Nc1cccc(F)c1[O-] ZINC001171637191 1132082783 /nfs/dbraw/zinc/08/27/83/1132082783.db2.gz MBBVTTPJJNHRBD-FNORWQNLSA-N -1 1 297.738 3.898 20 0 CHADMM CC[C@@H](C)[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200067 1132270843 /nfs/dbraw/zinc/27/08/43/1132270843.db2.gz IZXTVSTVQFJPAU-NEPJUHHUSA-N -1 1 272.348 3.663 20 0 CHADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1ccco1 ZINC001231204442 1132270857 /nfs/dbraw/zinc/27/08/57/1132270857.db2.gz QKLJBHTZONGVPN-LLVKDONJSA-N -1 1 282.299 3.582 20 0 CHADMM CC[C@H](C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231231290 1132273820 /nfs/dbraw/zinc/27/38/20/1132273820.db2.gz UKFJSKBBRUBVMR-LBPRGKRZSA-N -1 1 270.328 3.801 20 0 CHADMM [O-]c1cc(CN2CCc3ccc(F)cc3C2)ccc1Cl ZINC001231737617 1132348925 /nfs/dbraw/zinc/34/89/25/1132348925.db2.gz UQHZEQKJBNTMJH-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM [O-]c1cc(CN2CCCC(F)(F)[C@@H](F)C2)ccc1Cl ZINC001231732787 1132350657 /nfs/dbraw/zinc/35/06/57/1132350657.db2.gz GAHFIFJHEWNFAP-LBPRGKRZSA-N -1 1 293.716 3.615 20 0 CHADMM CC/C=C(\C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001142671931 1132422976 /nfs/dbraw/zinc/42/29/76/1132422976.db2.gz SWTBRZAOMJJKTQ-VMPITWQZSA-N -1 1 273.254 3.706 20 0 CHADMM Cc1nocc1[N-]c1ncc(-c2ccccc2)s1 ZINC001212717705 1132429260 /nfs/dbraw/zinc/42/92/60/1132429260.db2.gz NULLRGBCZSJWBH-UHFFFAOYSA-N -1 1 257.318 3.850 20 0 CHADMM [O-]c1cccc(CN(Cc2ccco2)C2CC2)c1Cl ZINC001232788699 1132520846 /nfs/dbraw/zinc/52/08/46/1132520846.db2.gz JACYUXQDDHJFQO-UHFFFAOYSA-N -1 1 277.751 3.803 20 0 CHADMM CCCC1CCN(C(=O)c2ccc3cccnc3c2[O-])CC1 ZINC001149320227 1132541658 /nfs/dbraw/zinc/54/16/58/1132541658.db2.gz LHSDXACSRCBVGH-UHFFFAOYSA-N -1 1 298.386 3.593 20 0 CHADMM CC(C)CCC1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001150262802 1132552525 /nfs/dbraw/zinc/55/25/25/1132552525.db2.gz WLPHZGHCMYSBTC-UHFFFAOYSA-N -1 1 293.382 3.820 20 0 CHADMM CC(C)[N@H+](Cc1ccccc1)Cc1cc(Cl)ncc1[O-] ZINC001233033650 1132565233 /nfs/dbraw/zinc/56/52/33/1132565233.db2.gz RVTSSIAZJIRYNN-UHFFFAOYSA-N -1 1 290.794 3.851 20 0 CHADMM C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233032572 1132565353 /nfs/dbraw/zinc/56/53/53/1132565353.db2.gz LRLYHOQJESGAPI-NSHDSACASA-N -1 1 288.778 3.560 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1cc(Cl)ncc1[O-] ZINC001233032572 1132565361 /nfs/dbraw/zinc/56/53/61/1132565361.db2.gz LRLYHOQJESGAPI-NSHDSACASA-N -1 1 288.778 3.560 20 0 CHADMM Cc1cccc2c1CN(Cc1ccc([S-])cc1)C2 ZINC001233258983 1132590630 /nfs/dbraw/zinc/59/06/30/1132590630.db2.gz BPXACPTULNOFTD-UHFFFAOYSA-N -1 1 255.386 3.800 20 0 CHADMM COc1cccc2c1CN(Cc1ccc([S-])cc1)CC2 ZINC001233258573 1132590751 /nfs/dbraw/zinc/59/07/51/1132590751.db2.gz KCLGEDCRTRFAQT-UHFFFAOYSA-N -1 1 285.412 3.542 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCCCC1 ZINC001153920170 1132602734 /nfs/dbraw/zinc/60/27/34/1132602734.db2.gz NMGXCBRGHZEEEI-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N1CC2(CCC2)c2ccccc21 ZINC001154185299 1132610511 /nfs/dbraw/zinc/61/05/11/1132610511.db2.gz GCUQIWXYOPUIJK-UHFFFAOYSA-N -1 1 297.329 3.613 20 0 CHADMM Cc1cc(F)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001173966484 1132636121 /nfs/dbraw/zinc/63/61/21/1132636121.db2.gz IDXYNHPTYRDXSN-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc2[nH]ccc2c1 ZINC001173939015 1132650751 /nfs/dbraw/zinc/65/07/51/1132650751.db2.gz UGXRYSRMRWDEQG-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)CC(C)(C)OC ZINC001233649593 1132655746 /nfs/dbraw/zinc/65/57/46/1132655746.db2.gz AFJNZIMEMSZRGG-LBPRGKRZSA-N -1 1 294.391 3.957 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1C=CCCC1 ZINC001233649675 1132655808 /nfs/dbraw/zinc/65/58/08/1132655808.db2.gz CDJMFDYJULSAPS-ZDUSSCGKSA-N -1 1 260.333 3.863 20 0 CHADMM NC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001174050117 1132687888 /nfs/dbraw/zinc/68/78/88/1132687888.db2.gz RGSKXJXEDJMQOQ-UHFFFAOYSA-N -1 1 297.141 3.542 20 0 CHADMM COc1cc(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001174131229 1132739252 /nfs/dbraw/zinc/73/92/52/1132739252.db2.gz NNMTWGJHBOSODR-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174209385 1132757031 /nfs/dbraw/zinc/75/70/31/1132757031.db2.gz SOUDVJYISUWQOD-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cn1ncc2ccc(Nc3cc([O-])c(Cl)cc3F)cc21 ZINC001174341026 1132799485 /nfs/dbraw/zinc/79/94/85/1132799485.db2.gz PTJQKXPDNYZMJO-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc2ncsc2c1 ZINC001174365314 1132822514 /nfs/dbraw/zinc/82/25/14/1132822514.db2.gz WKFBXUIFULNAQX-UHFFFAOYSA-N -1 1 277.736 3.794 20 0 CHADMM O=C(c1ncccc1[O-])N1CCCCC12CCCCCC2 ZINC001159603914 1132873100 /nfs/dbraw/zinc/87/31/00/1132873100.db2.gz ZNHCVZOMKXYMHQ-UHFFFAOYSA-N -1 1 288.391 3.506 20 0 CHADMM Cc1cc(F)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001174529835 1132892169 /nfs/dbraw/zinc/89/21/69/1132892169.db2.gz GPYWQYVDBFHWSY-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc2[nH]ccc21 ZINC001174649451 1132949648 /nfs/dbraw/zinc/94/96/48/1132949648.db2.gz ZDNDZTUHFOQCOZ-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM Cc1ccc(Nc2c(F)ccc([O-])c2Cl)c(N)c1 ZINC001160340234 1132964973 /nfs/dbraw/zinc/96/49/73/1132964973.db2.gz CJIUVHUKQBCNHA-UHFFFAOYSA-N -1 1 266.703 3.819 20 0 CHADMM 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262239733 /nfs/dbraw/zinc/23/97/33/262239733.db2.gz YTTPMAMOHVBTGZ-UHFFFAOYSA-N -1 1 295.338 3.719 20 0 CHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1C1CC1 ZINC000340330845 263114420 /nfs/dbraw/zinc/11/44/20/263114420.db2.gz WEHFWISGSHVORD-UHFFFAOYSA-N -1 1 288.322 3.537 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(c1)CCCC2 ZINC000531756467 328029705 /nfs/dbraw/zinc/02/97/05/328029705.db2.gz SKLIEWMXWBGBLJ-UHFFFAOYSA-N -1 1 285.318 3.662 20 0 CHADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C(C)C ZINC000563407536 328061624 /nfs/dbraw/zinc/06/16/24/328061624.db2.gz KNENHLDKQXOCFJ-UHFFFAOYSA-N -1 1 299.798 3.705 20 0 CHADMM CCCOc1cccc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000571179283 328089908 /nfs/dbraw/zinc/08/99/08/328089908.db2.gz KIJJBOWPNWKVAU-UHFFFAOYSA-N -1 1 290.388 3.572 20 0 CHADMM CC/C=C/CCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000571299617 328100724 /nfs/dbraw/zinc/10/07/24/328100724.db2.gz WUOMUNIOCTXROQ-VOTSOKGWSA-N -1 1 252.383 3.501 20 0 CHADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000048866429 328323760 /nfs/dbraw/zinc/32/37/60/328323760.db2.gz IEHHTJMEXNIUPM-LBPRGKRZSA-N -1 1 285.343 3.822 20 0 CHADMM Cc1cccc([C@@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012820 328391215 /nfs/dbraw/zinc/39/12/15/328391215.db2.gz JNZDFROZDQVSTH-LLVKDONJSA-N -1 1 273.307 3.582 20 0 CHADMM CSc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112333422 328398413 /nfs/dbraw/zinc/39/84/13/328398413.db2.gz ZSTDRPIZOMUSDW-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM Cc1cnc(S[C@@H]2CCCc3ccccc32)[n-]c1=O ZINC000583511218 328588246 /nfs/dbraw/zinc/58/82/46/328588246.db2.gz UPCKKBKXOJRKRY-CYBMUJFWSA-N -1 1 272.373 3.660 20 0 CHADMM CSc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000149014925 327032108 /nfs/dbraw/zinc/03/21/08/327032108.db2.gz KLQQJTWKFHHWMS-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM CC(C)c1nc(=NC2CCC(c3ccccc3)CC2)o[n-]1 ZINC000584257731 327194165 /nfs/dbraw/zinc/19/41/65/327194165.db2.gz GUYNTJSGCCAKCI-UHFFFAOYSA-N -1 1 285.391 3.753 20 0 CHADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531010509 327214496 /nfs/dbraw/zinc/21/44/96/327214496.db2.gz YJIQPBWQJQJYJN-NEPJUHHUSA-N -1 1 295.404 3.536 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccs1 ZINC000150718816 327363816 /nfs/dbraw/zinc/36/38/16/327363816.db2.gz XUKBIODWZBTEFF-MRVPVSSYSA-N -1 1 281.764 3.849 20 0 CHADMM CCc1cc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000532839507 328813041 /nfs/dbraw/zinc/81/30/41/328813041.db2.gz JXUVRKWWBZZJLT-UHFFFAOYSA-N -1 1 279.723 3.762 20 0 CHADMM CCc1nc(SCc2cc(F)cc(F)c2)[n-]c(=O)c1C ZINC000582737234 329134230 /nfs/dbraw/zinc/13/42/30/329134230.db2.gz WFSDGATYBAKIIK-UHFFFAOYSA-N -1 1 296.342 3.624 20 0 CHADMM CCCCN(CC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000301384930 332850123 /nfs/dbraw/zinc/85/01/23/332850123.db2.gz KGZJOCHBIPDSHS-UHFFFAOYSA-N -1 1 299.798 3.707 20 0 CHADMM C[C@H](c1ccco1)N(Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC000263484546 330057495 /nfs/dbraw/zinc/05/74/95/330057495.db2.gz OZZFCYPNLOBODL-GFCCVEGCSA-N -1 1 285.343 3.703 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C3CC3)c2)o1 ZINC000421815533 330085796 /nfs/dbraw/zinc/08/57/96/330085796.db2.gz MXQLEQDNYLMGKU-MRXNPFEDSA-N -1 1 299.370 3.771 20 0 CHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000032098406 330235125 /nfs/dbraw/zinc/23/51/25/330235125.db2.gz JMMRMYNTRILFHR-UHFFFAOYSA-N -1 1 293.363 3.579 20 0 CHADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000399562516 330242617 /nfs/dbraw/zinc/24/26/17/330242617.db2.gz BILICSOVSMGLDL-OCCSQVGLSA-N -1 1 283.371 3.806 20 0 CHADMM CCC[C@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000035239258 330244068 /nfs/dbraw/zinc/24/40/68/330244068.db2.gz LEMLYJPQVVOZOM-LBPRGKRZSA-N -1 1 271.360 3.806 20 0 CHADMM C[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445444797 330357176 /nfs/dbraw/zinc/35/71/76/330357176.db2.gz GZLGZSRGFLKEPH-BDAKNGLRSA-N -1 1 278.739 3.999 20 0 CHADMM Cc1ccc(F)c(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000445456741 330496395 /nfs/dbraw/zinc/49/63/95/330496395.db2.gz NWFYCIZJKBUYHZ-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C\c3ccsc3)n2)c(F)c1 ZINC000445462615 330504693 /nfs/dbraw/zinc/50/46/93/330504693.db2.gz LKAAUBQGEBWTOB-RJRFIUFISA-N -1 1 288.303 3.813 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2F)n1 ZINC000436188161 330670483 /nfs/dbraw/zinc/67/04/83/330670483.db2.gz UOKARWKSRXYZSS-UHFFFAOYSA-N -1 1 298.770 3.829 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N(CC1CCCCC1)C1CC1 ZINC000436552760 330679910 /nfs/dbraw/zinc/67/99/10/330679910.db2.gz AZVXMOZBIZDKFL-UHFFFAOYSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1O ZINC000436583150 330680657 /nfs/dbraw/zinc/68/06/57/330680657.db2.gz CQJKJCUFAMHPKX-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM Cc1ccc(Cl)cc1N(C)C(=O)c1ccccc1[O-] ZINC000436701966 330682977 /nfs/dbraw/zinc/68/29/77/330682977.db2.gz BGGPONAZDZBACL-UHFFFAOYSA-N -1 1 275.735 3.631 20 0 CHADMM CCCCN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752953 330684349 /nfs/dbraw/zinc/68/43/49/330684349.db2.gz UBMLZENLKJQOBU-UHFFFAOYSA-N -1 1 289.297 3.673 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000436924970 330688657 /nfs/dbraw/zinc/68/86/57/330688657.db2.gz YKVFCVCYPDOSNS-INIZCTEOSA-N -1 1 295.382 3.808 20 0 CHADMM CC(C)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000436954939 330689777 /nfs/dbraw/zinc/68/97/77/330689777.db2.gz JAWPFQNOGQIQFH-UHFFFAOYSA-N -1 1 299.305 3.767 20 0 CHADMM Cc1coc2ccc(NC(=O)c3ccccc3[O-])cc12 ZINC000436972475 330690138 /nfs/dbraw/zinc/69/01/38/330690138.db2.gz OQOXDLMMXLLZQG-UHFFFAOYSA-N -1 1 267.284 3.699 20 0 CHADMM CC(C)C[C@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482264 330829487 /nfs/dbraw/zinc/82/94/87/330829487.db2.gz RZUYPRVSYQKQQY-JTQLQIEISA-N -1 1 278.327 3.806 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1F ZINC000445477679 330829508 /nfs/dbraw/zinc/82/95/08/330829508.db2.gz OSFMYGSJNNGREE-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM Cc1csc(N(C)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000194711496 331019622 /nfs/dbraw/zinc/01/96/22/331019622.db2.gz XKKWJDKERMAFPP-UHFFFAOYSA-N -1 1 298.367 3.587 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2Cl)n1 ZINC000195067484 331135596 /nfs/dbraw/zinc/13/55/96/331135596.db2.gz GIZBCRFIGJZTCY-VIFPVBQESA-N -1 1 294.807 3.839 20 0 CHADMM CCC[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456781869 331203563 /nfs/dbraw/zinc/20/35/63/331203563.db2.gz JWQNYRPLYIHNCB-SECBINFHSA-N -1 1 271.307 3.681 20 0 CHADMM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456792713 331204098 /nfs/dbraw/zinc/20/40/98/331204098.db2.gz JTPDWKULSZAEMT-ZJUUUORDSA-N -1 1 283.318 3.825 20 0 CHADMM CC(C)(C)C1CC(C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000457665586 331230595 /nfs/dbraw/zinc/23/05/95/331230595.db2.gz JZGUQHIIDCQEQU-UHFFFAOYSA-N -1 1 265.328 3.542 20 0 CHADMM CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc(Cl)c1O ZINC000459339595 331276931 /nfs/dbraw/zinc/27/69/31/331276931.db2.gz CMZTVZPMGFQUEO-GHMZBOCLSA-N -1 1 283.799 3.675 20 0 CHADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000088707551 333091330 /nfs/dbraw/zinc/09/13/30/333091330.db2.gz IMGPQLXHPSURHF-CHWSQXEVSA-N -1 1 283.371 3.806 20 0 CHADMM CC/C=C/CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000184419673 333128454 /nfs/dbraw/zinc/12/84/54/333128454.db2.gz RGWAYGKGRTUIQY-ONEGZZNKSA-N -1 1 294.420 3.512 20 0 CHADMM [O-]c1ccc(-c2noc(C3=CCCCC3)n2)cc1F ZINC000572524874 333185232 /nfs/dbraw/zinc/18/52/32/333185232.db2.gz UMPABEDQEXDZQO-UHFFFAOYSA-N -1 1 260.268 3.539 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)cc(F)c1 ZINC000190928458 333212385 /nfs/dbraw/zinc/21/23/85/333212385.db2.gz PBRLFCMZOBZNMG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCC(CC)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000126984734 333614654 /nfs/dbraw/zinc/61/46/54/333614654.db2.gz MQQNMHYZKBFEPW-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM CC(C)Oc1ccc(NC(=O)c2ccccc2[O-])c(F)c1 ZINC000127896895 333637460 /nfs/dbraw/zinc/63/74/60/333637460.db2.gz PEBCDZKNHDWHMZ-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM CC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129443311 333764474 /nfs/dbraw/zinc/76/44/74/333764474.db2.gz 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/nfs/dbraw/zinc/25/48/41/335254841.db2.gz ZZMRGCFOCQUBBF-UHFFFAOYSA-N -1 1 295.433 3.537 20 0 CHADMM O=C([O-])c1cc(CN(Cc2cccs2)C2CC2)cs1 ZINC000577118292 335303428 /nfs/dbraw/zinc/30/34/28/335303428.db2.gz WSPCDHIEHNJMDG-UHFFFAOYSA-N -1 1 293.413 3.672 20 0 CHADMM CC1=C(C)CN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000382975366 336100443 /nfs/dbraw/zinc/10/04/43/336100443.db2.gz KGGXPKDBPSAJIQ-UHFFFAOYSA-N -1 1 281.355 3.728 20 0 CHADMM C[N@@H+](Cc1cccc(O)c1Cl)C1CCCCC1 ZINC000383188892 336106008 /nfs/dbraw/zinc/10/60/08/336106008.db2.gz RHGULVYTWGHJTQ-UHFFFAOYSA-N -1 1 253.773 3.810 20 0 CHADMM Cc1cscc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000387057036 336184453 /nfs/dbraw/zinc/18/44/53/336184453.db2.gz VCIAIVSZKJXYMH-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)C1CCCC1 ZINC000289932375 519260537 /nfs/dbraw/zinc/26/05/37/519260537.db2.gz WMUBHFHXDGLFRT-UHFFFAOYSA-N -1 1 297.345 3.617 20 0 CHADMM [O-]c1ccc(-c2noc(C3CCCCC3)n2)cc1F ZINC000331619397 534450895 /nfs/dbraw/zinc/45/08/95/534450895.db2.gz GQEQTCKIYDZFTF-UHFFFAOYSA-N -1 1 262.284 3.629 20 0 CHADMM Cc1sccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336043007 534627638 /nfs/dbraw/zinc/62/76/38/534627638.db2.gz CBZCUWQQUIKACU-UHFFFAOYSA-N -1 1 281.764 3.597 20 0 CHADMM CC[C@H](SC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278213077 522914732 /nfs/dbraw/zinc/91/47/32/522914732.db2.gz QLFRZCHXVZKZPH-JTQLQIEISA-N -1 1 284.768 3.910 20 0 CHADMM CSCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340328013 525728330 /nfs/dbraw/zinc/72/83/30/525728330.db2.gz AEPLZVBLRYAWNL-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM CSc1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000340817516 526140461 /nfs/dbraw/zinc/14/04/61/526140461.db2.gz IVFPFULOAXVCNM-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000278082715 526169416 /nfs/dbraw/zinc/16/94/16/526169416.db2.gz GNENHWYWLVGLQK-ZETCQYMHSA-N -1 1 264.712 3.609 20 0 CHADMM O=C(C=C(C1CC1)C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000264913965 526314887 /nfs/dbraw/zinc/31/48/87/526314887.db2.gz IFVDBMKHJWLISI-UHFFFAOYSA-N -1 1 277.751 3.731 20 0 CHADMM O=c1[nH]c2cccc(NCc3cccc([O-])c3Cl)c2o1 ZINC000339400541 526378929 /nfs/dbraw/zinc/37/89/29/526378929.db2.gz DMZBRLHWCYUUAM-UHFFFAOYSA-N -1 1 290.706 3.505 20 0 CHADMM CN(Cc1ccccc1Cl)Cc1ccccc1C(=O)[O-] ZINC000048879109 600555931 /nfs/dbraw/zinc/55/59/31/600555931.db2.gz BKRUBBNYPBYXBB-UHFFFAOYSA-N -1 1 289.762 3.670 20 0 CHADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000579842959 600862042 /nfs/dbraw/zinc/86/20/42/600862042.db2.gz SPVSNPPXXCGIQA-WCQYABFASA-N -1 1 289.331 3.544 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN([C@H]1CCc3ccc(F)cc31)C2 ZINC000659790642 601165186 /nfs/dbraw/zinc/16/51/86/601165186.db2.gz JEINDROAJGEBHG-KRWDZBQOSA-N -1 1 297.329 3.527 20 0 CHADMM C[C@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062753769 605829052 /nfs/dbraw/zinc/82/90/52/605829052.db2.gz IMLZLOYRHKSQGU-SNVBAGLBSA-N -1 1 293.363 3.778 20 0 CHADMM O=C([O-])c1ccc(F)c(CNC2(c3ccccc3)CCC2)c1 ZINC000833780917 605839437 /nfs/dbraw/zinc/83/94/37/605839437.db2.gz JKIPITGDIDNOLG-UHFFFAOYSA-N -1 1 299.345 3.693 20 0 CHADMM O=C([O-])CCC1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000165666071 949434760 /nfs/dbraw/zinc/43/47/60/949434760.db2.gz NXCZYPUMRHUHIR-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM CCCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000621247556 953792687 /nfs/dbraw/zinc/79/26/87/953792687.db2.gz YOIMETWMOAQUJF-HNNXBMFYSA-N -1 1 289.400 3.616 20 0 CHADMM Cc1[nH]c(CN[C@H](C)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000390096249 972264447 /nfs/dbraw/zinc/26/44/47/972264447.db2.gz XCIOGDJYDVWGCK-LLVKDONJSA-N -1 1 298.342 3.618 20 0 CHADMM Cc1oc(CN(Cc2cccs2)C2CC2)cc1C(=O)[O-] ZINC000049024475 957472848 /nfs/dbraw/zinc/47/28/48/957472848.db2.gz WYRPXGWJLMVADK-UHFFFAOYSA-N -1 1 291.372 3.512 20 0 CHADMM O=C([O-])CCC1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000162544424 959217623 /nfs/dbraw/zinc/21/76/23/959217623.db2.gz GPUCMWMTCRPSSS-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(C)C)cc1 ZINC000232771428 960296866 /nfs/dbraw/zinc/29/68/66/960296866.db2.gz VNCBJQGFRNTUSS-UHFFFAOYSA-N -1 1 287.359 3.699 20 0 CHADMM C[C@H](c1cccc(Cl)c1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001573750107 960548940 /nfs/dbraw/zinc/54/89/40/960548940.db2.gz ZLORGNPMFINEGN-MXWKQRLJSA-N -1 1 299.773 3.583 20 0 CHADMM C[C@@H](c1cccc(Cl)c1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603286827 972527583 /nfs/dbraw/zinc/52/75/83/972527583.db2.gz MCUDFFGUHLCNFB-WDEREUQCSA-N -1 1 299.773 3.727 20 0 CHADMM O=C([O-])[C@H](c1ccsc1)N1CCC[C@@H]1c1cccs1 ZINC000578756250 974860996 /nfs/dbraw/zinc/86/09/96/974860996.db2.gz KDVFXFCNGBINQL-YPMHNXCESA-N -1 1 293.413 3.772 20 0 CHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000734843517 978301878 /nfs/dbraw/zinc/30/18/78/978301878.db2.gz MSMORXVDSSKBLS-SNVBAGLBSA-N -1 1 293.750 3.505 20 0 CHADMM CCOC(=O)c1c(C)c(C)sc1[N-]c1nccs1 ZINC001210990104 1118435727 /nfs/dbraw/zinc/43/57/27/1118435727.db2.gz XSTIJBFPZMWFPP-UHFFFAOYSA-N -1 1 282.390 3.742 20 0 CHADMM CC[C@](NCc1csc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000901655215 980431042 /nfs/dbraw/zinc/43/10/42/980431042.db2.gz ZFXSGFRVKMJCMH-MRXNPFEDSA-N -1 1 289.400 3.536 20 0 CHADMM Cc1oc(CN[C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000902133123 980750820 /nfs/dbraw/zinc/75/08/20/980750820.db2.gz YDLYTLCJUAGWLN-INIZCTEOSA-N -1 1 285.343 3.527 20 0 CHADMM CCc1oc(CN[C@@H]2CCc3cc(C)ccc32)cc1C(=O)[O-] ZINC000902171966 980767553 /nfs/dbraw/zinc/76/75/53/980767553.db2.gz AWPAPUIGZPHDAS-MRXNPFEDSA-N -1 1 299.370 3.626 20 0 CHADMM Cc1cc(C)cc([C@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902233937 980793993 /nfs/dbraw/zinc/79/39/93/980793993.db2.gz FUQWMYPKNMPQDV-UZYOAWRESA-N -1 1 299.370 3.845 20 0 CHADMM Cc1cc(CN[C@H](C)c2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC000902236696 980794678 /nfs/dbraw/zinc/79/46/78/980794678.db2.gz VSIYQOKRRKDYRV-CYBMUJFWSA-N -1 1 287.359 3.754 20 0 CHADMM CC(C)[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1F ZINC000902383746 980864840 /nfs/dbraw/zinc/86/48/40/980864840.db2.gz ZURSRJCRGMOUBG-CQSZACIVSA-N -1 1 291.322 3.604 20 0 CHADMM C[C@H](c1cccs1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902511556 980915512 /nfs/dbraw/zinc/91/55/12/980915512.db2.gz JPDBNQLMBVIFJR-SKVAFPRGSA-N -1 1 291.372 3.632 20 0 CHADMM CCCC[C@H](C(=O)[O-])N1CC(C)(C)[C@H]1c1cccs1 ZINC001595629034 981794821 /nfs/dbraw/zinc/79/48/21/981794821.db2.gz USQQBKALCPFNDG-DGCLKSJQSA-N -1 1 281.421 3.774 20 0 CHADMM CCN(Cc1occc1C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596380771 983904802 /nfs/dbraw/zinc/90/48/02/983904802.db2.gz ZCDMTXXNQQROQD-LBPRGKRZSA-N -1 1 291.347 3.771 20 0 CHADMM CCc1ccc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001597525989 988168597 /nfs/dbraw/zinc/16/85/97/988168597.db2.gz FKSUYDLDFGZELM-ZHACJKMWSA-N -1 1 299.370 3.572 20 0 CHADMM CSc1ccc(CN[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599813106 988372983 /nfs/dbraw/zinc/37/29/83/988372983.db2.gz MYOXQPJLNUABHG-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM CCc1oc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795862 989349185 /nfs/dbraw/zinc/34/91/85/989349185.db2.gz GAVRNBFGHKJLTF-SJKOYZFVSA-N -1 1 299.370 3.733 20 0 CHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCC2(CCCC2)C1 ZINC001593732119 996307842 /nfs/dbraw/zinc/30/78/42/996307842.db2.gz OJSNGYSKMOVVPF-LLVKDONJSA-N -1 1 294.420 3.559 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1Cl ZINC000048652487 1120836640 /nfs/dbraw/zinc/83/66/40/1120836640.db2.gz LEALRZKMMQTJST-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CC1(C(=O)Nc2cccc(F)c2[O-])CCC(F)(F)CC1 ZINC000628960620 1121525096 /nfs/dbraw/zinc/52/50/96/1121525096.db2.gz SAGWYZIMTQFIJS-UHFFFAOYSA-N -1 1 287.281 3.685 20 0 CHADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@@H](C)C2CCCCC2)s[n-]1 ZINC000509554014 1122727669 /nfs/dbraw/zinc/72/76/69/1122727669.db2.gz PGTDFUIGHQZWQN-GRYCIOLGSA-N -1 1 297.468 3.684 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Oc1ccccc1 ZINC000085204578 1122784782 /nfs/dbraw/zinc/78/47/82/1122784782.db2.gz REZVSRMCVQRBGH-UHFFFAOYSA-N -1 1 263.680 3.657 20 0 CHADMM CC(C)(CC(=O)Nc1ccc(F)cc1[O-])CC(F)(F)F ZINC000879183538 1125201074 /nfs/dbraw/zinc/20/10/74/1125201074.db2.gz QBRAAKMOQBKCGW-UHFFFAOYSA-N -1 1 293.260 3.839 20 0 CHADMM C[C@H]1COCC[C@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229405892 1132063255 /nfs/dbraw/zinc/06/32/55/1132063255.db2.gz CVCROUVUOANMAD-WRWORJQWSA-N -1 1 277.147 3.503 20 0 CHADMM C[C@@H](O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486478 1134543913 /nfs/dbraw/zinc/54/39/13/1134543913.db2.gz JREFDOCEVKLSTG-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM COc1cc(C)c(C)cc1Nc1ccnc(Cl)c1[O-] ZINC001216373845 1134873075 /nfs/dbraw/zinc/87/30/75/1134873075.db2.gz YKPPPSNINVMGSA-UHFFFAOYSA-N -1 1 278.739 3.810 20 0 CHADMM CCCCCC[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019619 1135502499 /nfs/dbraw/zinc/50/24/99/1135502499.db2.gz YZRRFCGWXJDSCJ-ZDUSSCGKSA-N -1 1 280.345 3.710 20 0 CHADMM CO[C@@H](C)CCOc1cc(Cl)c([O-])cc1Cl ZINC001227641413 1135852077 /nfs/dbraw/zinc/85/20/77/1135852077.db2.gz NLCWEBNMGREOPE-ZETCQYMHSA-N -1 1 265.136 3.503 20 0 CHADMM Cc1nc2ccc(Nc3cc(F)c([O-])cc3F)cc2o1 ZINC001213068501 1125572970 /nfs/dbraw/zinc/57/29/70/1125572970.db2.gz NXNBIQAARDOOKC-UHFFFAOYSA-N -1 1 276.242 3.864 20 0 CHADMM CCC[C@@H](CC)Oc1cc([O-])ccc1C(=O)CC ZINC001229474638 1125583761 /nfs/dbraw/zinc/58/37/61/1125583761.db2.gz IUTAXGULXIBOBV-GFCCVEGCSA-N -1 1 250.338 3.942 20 0 CHADMM C[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680077 1125620950 /nfs/dbraw/zinc/62/09/50/1125620950.db2.gz LICDKBOOWAGRMG-DTWKUNHWSA-N -1 1 285.746 3.950 20 0 CHADMM CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711441 1125780016 /nfs/dbraw/zinc/78/00/16/1125780016.db2.gz ZAAQMCFXBCNUIY-KBPBESRZSA-N -1 1 297.826 3.681 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccccc2N(C)C)c([O-])c1 ZINC001136196766 1131235879 /nfs/dbraw/zinc/23/58/79/1131235879.db2.gz LRAHYVKPONPLAS-UHFFFAOYSA-N -1 1 298.386 3.834 20 0 CHADMM COC(=O)c1ccc(C)cc1-c1cccc(Cl)c1[O-] ZINC001242364338 1129796102 /nfs/dbraw/zinc/79/61/02/1129796102.db2.gz IEPPKOPECWVAOF-UHFFFAOYSA-N -1 1 276.719 3.808 20 0 CHADMM CCN(C(=O)c1c([O-])cccc1Cl)C1CCCCC1 ZINC000769668468 1129920248 /nfs/dbraw/zinc/92/02/48/1129920248.db2.gz VMSRUQKCFPMFNX-UHFFFAOYSA-N -1 1 281.783 3.840 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000668037786 1126755168 /nfs/dbraw/zinc/75/51/68/1126755168.db2.gz ILPIQXLETASIOE-JSGCOSHPSA-N -1 1 293.382 3.818 20 0 CHADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000175238745 1126779429 /nfs/dbraw/zinc/77/94/29/1126779429.db2.gz YSFRRRTUSGHQOY-JSGCOSHPSA-N -1 1 299.345 3.550 20 0 CHADMM Cc1sccc1CN[C@@H](CC(=O)[O-])c1ccccc1F ZINC000904046250 1126824633 /nfs/dbraw/zinc/82/46/33/1126824633.db2.gz YDHCUMRWJPWJRM-AWEZNQCLSA-N -1 1 293.363 3.501 20 0 CHADMM COCCOCc1cccc(-c2cc([O-])c(F)c(F)c2)c1 ZINC000904758653 1126869176 /nfs/dbraw/zinc/86/91/76/1126869176.db2.gz OOAFVSWUFOJAGH-UHFFFAOYSA-N -1 1 294.297 3.500 20 0 CHADMM CCC(=CC(=O)Nc1cccc([O-])c1Br)CC ZINC000908710156 1127012958 /nfs/dbraw/zinc/01/29/58/1127012958.db2.gz YGGQHXKQGYPOAQ-UHFFFAOYSA-N -1 1 298.180 3.840 20 0 CHADMM O=C(CC1CCCC1)Nc1cccc([O-])c1Br ZINC000908716355 1127013743 /nfs/dbraw/zinc/01/37/43/1127013743.db2.gz FGNNFDMZGMXYMB-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM C[C@@H](CC1CCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909980815 1127043155 /nfs/dbraw/zinc/04/31/55/1127043155.db2.gz GLUILLBZCQQBKM-VIFPVBQESA-N -1 1 283.318 3.825 20 0 CHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000269664576 1127044471 /nfs/dbraw/zinc/04/44/71/1127044471.db2.gz KKHBQLHMXWXWKV-WDEREUQCSA-N -1 1 291.347 3.643 20 0 CHADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC001299360475 1127147293 /nfs/dbraw/zinc/14/72/93/1127147293.db2.gz IGSJYLXPACDBAP-AAEUAGOBSA-N -1 1 293.794 3.602 20 0 CHADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1c([O-])cccc1Cl ZINC001299360492 1127148361 /nfs/dbraw/zinc/14/83/61/1127148361.db2.gz IKIIQYKPOFIRKF-NWDGAFQWSA-N -1 1 293.794 3.602 20 0 CHADMM O=C([O-])c1ccoc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000572008761 1127191442 /nfs/dbraw/zinc/19/14/42/1127191442.db2.gz ZVYQMQDQNQQXAO-UHFFFAOYSA-N -1 1 289.331 3.516 20 0 CHADMM O=C([O-])c1ccoc1CN(Cc1ccco1)C1CCCC1 ZINC000572008761 1127191444 /nfs/dbraw/zinc/19/14/44/1127191444.db2.gz ZVYQMQDQNQQXAO-UHFFFAOYSA-N -1 1 289.331 3.516 20 0 CHADMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000057307737 1127252836 /nfs/dbraw/zinc/25/28/36/1127252836.db2.gz IVTLAWZQRSWBBO-LLVKDONJSA-N -1 1 289.762 3.845 20 0 CHADMM CCCC[C@H](C)N(CCCC)C(=O)c1cncc([O-])c1 ZINC000359420063 1127462462 /nfs/dbraw/zinc/46/24/62/1127462462.db2.gz DJOFALUGXYQRSS-ZDUSSCGKSA-N -1 1 278.396 3.608 20 0 CHADMM CCS[C@H](C)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000601368425 1127522762 /nfs/dbraw/zinc/52/27/62/1127522762.db2.gz TWCCAODDYPENBU-MRVPVSSYSA-N -1 1 298.795 3.834 20 0 CHADMM [O-]c1cccc(CN(Cc2ccccn2)C2CC2)c1Cl ZINC000293957594 1127536858 /nfs/dbraw/zinc/53/68/58/1127536858.db2.gz PQDBUILQHCNDRH-UHFFFAOYSA-N -1 1 288.778 3.605 20 0 CHADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000295443882 1127643099 /nfs/dbraw/zinc/64/30/99/1127643099.db2.gz AGZWINCACGSGSO-QMMMGPOBSA-N -1 1 276.163 3.553 20 0 CHADMM O=C([O-])C[C@H](NCc1ccccc1Cl)c1cccs1 ZINC000037087837 1127669133 /nfs/dbraw/zinc/66/91/33/1127669133.db2.gz AJNIVYGIEKNKRT-LBPRGKRZSA-N -1 1 295.791 3.707 20 0 CHADMM CSc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367580 1127863201 /nfs/dbraw/zinc/86/32/01/1127863201.db2.gz XYGHAIVLYWBUPK-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000412780113 1127926103 /nfs/dbraw/zinc/92/61/03/1127926103.db2.gz KXYMKARJYZAXKD-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)s1 ZINC000494310947 1128169004 /nfs/dbraw/zinc/16/90/04/1128169004.db2.gz ARNQOJMHCCPRPF-UHFFFAOYSA-N -1 1 299.392 3.559 20 0 CHADMM CCN(C(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000914472809 1128192709 /nfs/dbraw/zinc/19/27/09/1128192709.db2.gz WUGUKAZPJMQJGN-UHFFFAOYSA-N -1 1 275.735 3.712 20 0 CHADMM Cc1ccc([C@H](C)N(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001290763272 1128275574 /nfs/dbraw/zinc/27/55/74/1128275574.db2.gz NNFDSIGYVSHTOI-LBPRGKRZSA-N -1 1 287.334 3.673 20 0 CHADMM CCCc1cc(=O)n(-c2cccc(Cl)c2C)[n-]1 ZINC000614188936 1128387572 /nfs/dbraw/zinc/38/75/72/1128387572.db2.gz GYEZAGCIWCEIOU-UHFFFAOYSA-N -1 1 250.729 3.541 20 0 CHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000088302025 1128436404 /nfs/dbraw/zinc/43/64/04/1128436404.db2.gz MZTZIYOKKOXHPH-NXEZZACHSA-N -1 1 269.772 3.600 20 0 CHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000124731919 1128445357 /nfs/dbraw/zinc/44/53/57/1128445357.db2.gz ZYXAOVKOOWWTEN-IUODEOHRSA-N -1 1 283.371 3.949 20 0 CHADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccc([O-])cc1F ZINC000649006694 1128466322 /nfs/dbraw/zinc/46/63/22/1128466322.db2.gz POSDRRGQXPNUED-INIZCTEOSA-N -1 1 291.366 3.620 20 0 CHADMM Cc1nc(SCCCC(C)(F)F)[n-]c(=O)c1C1CC1 ZINC000918464278 1128546714 /nfs/dbraw/zinc/54/67/14/1128546714.db2.gz YNLDUFUDIRQWNU-UHFFFAOYSA-N -1 1 288.363 3.896 20 0 CHADMM COc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)c([O-])c1 ZINC000129750181 1128555442 /nfs/dbraw/zinc/55/54/42/1128555442.db2.gz TWZPLIBCEOXTCO-UHFFFAOYSA-N -1 1 299.370 3.801 20 0 CHADMM C[C@H]1CCC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000568142304 1128578413 /nfs/dbraw/zinc/57/84/13/1128578413.db2.gz FBTLGQCXZNCGGH-JGVFFNPUSA-N -1 1 274.336 3.791 20 0 CHADMM COC(=O)c1c[n-]c(SC[C@@H](C)C2CCCCC2)n1 ZINC000568536732 1128586646 /nfs/dbraw/zinc/58/66/46/1128586646.db2.gz TWKQESTXMMVTCB-SNVBAGLBSA-N -1 1 282.409 3.505 20 0 CHADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000131373487 1128616409 /nfs/dbraw/zinc/61/64/09/1128616409.db2.gz KHGFTLGKOFTHFA-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000216132845 1128741156 /nfs/dbraw/zinc/74/11/56/1128741156.db2.gz WWGSSVALDVEITQ-UHFFFAOYSA-N -1 1 297.379 3.949 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000049081181 1128742751 /nfs/dbraw/zinc/74/27/51/1128742751.db2.gz JBRQITJIYKDEHZ-JTQLQIEISA-N -1 1 275.735 3.537 20 0 CHADMM Cc1ccc(F)c(-c2cnc3cccc(C)c3n2)c1[O-] ZINC001236392345 1128745554 /nfs/dbraw/zinc/74/55/54/1128745554.db2.gz ODFJZXFABGSZTL-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM CSc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181079058 1117994053 /nfs/dbraw/zinc/99/40/53/1117994053.db2.gz FRGOFJQVSAKSLO-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(Cl)c1 ZINC000051361527 1118220819 /nfs/dbraw/zinc/22/08/19/1118220819.db2.gz OLNRQTHWGZTMMR-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1cccs1 ZINC000051361600 1118221251 /nfs/dbraw/zinc/22/12/51/1118221251.db2.gz FCPXYJIZGURKHR-SECBINFHSA-N -1 1 279.361 3.541 20 0 CHADMM CCn1cc(Cl)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204557 1118231222 /nfs/dbraw/zinc/23/12/22/1118231222.db2.gz GWNNQHVDIQSSQA-UHFFFAOYSA-N -1 1 299.157 3.773 20 0 CHADMM CCCCCC[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000071781679 1118279372 /nfs/dbraw/zinc/27/93/72/1118279372.db2.gz GVBQQNMXKUBZPB-NSHDSACASA-N -1 1 267.344 3.620 20 0 CHADMM [O-]c1cc(Nc2cccc3c2OCO3)c(F)cc1Cl ZINC001210559566 1118326046 /nfs/dbraw/zinc/32/60/46/1118326046.db2.gz IKEOFKDWUCEXNZ-UHFFFAOYSA-N -1 1 281.670 3.657 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1[C@H]2CCCCCC[C@H]12 ZINC000616101742 1128775188 /nfs/dbraw/zinc/77/51/88/1128775188.db2.gz UFCZIQIIWPACDX-UWVGGRQHSA-N -1 1 295.329 3.825 20 0 CHADMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000112118974 1118391762 /nfs/dbraw/zinc/39/17/62/1118391762.db2.gz CMGAXHRGJYXBPC-NSHDSACASA-N -1 1 289.762 3.863 20 0 CHADMM COC(=O)c1cc(C)c(C)cc1-c1cc(F)c([O-])cc1F ZINC001211340511 1118505250 /nfs/dbraw/zinc/50/52/50/1118505250.db2.gz VVWBIDRWTSNIJA-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM [O-]c1cc(F)c(-c2ccncc2C(F)(F)F)cc1F ZINC001211340070 1118505652 /nfs/dbraw/zinc/50/56/52/1118505652.db2.gz SHZCJYACICTYJY-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccncc1 ZINC001167440911 1118531748 /nfs/dbraw/zinc/53/17/48/1118531748.db2.gz XFYRXOFXIMYAJV-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM CC1(C)C(NC(=O)c2ccc3ccccc3c2[O-])C1(C)C ZINC000092819689 1118586174 /nfs/dbraw/zinc/58/61/74/1118586174.db2.gz GZFXQCHVJKKBPH-UHFFFAOYSA-N -1 1 283.371 3.710 20 0 CHADMM CSc1ncc([N-]c2nnc(C(C)(C)C)o2)cc1C ZINC001215826978 1118603310 /nfs/dbraw/zinc/60/33/10/1118603310.db2.gz YHEPAYBRRTYEGT-UHFFFAOYSA-N -1 1 278.381 3.536 20 0 CHADMM Oc1cccc(CN[C@@H]2CCc3ccccc32)c1Cl ZINC000293956471 1118830872 /nfs/dbraw/zinc/83/08/72/1118830872.db2.gz CDGIQJUFNSIFMD-CQSZACIVSA-N -1 1 273.763 3.823 20 0 CHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2F)s1 ZINC000431160539 1118841466 /nfs/dbraw/zinc/84/14/66/1118841466.db2.gz LHDGZZWUOYBNKF-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H](CC)CC(F)F)n1 ZINC000657257610 1118939469 /nfs/dbraw/zinc/93/94/69/1118939469.db2.gz WBKOKPPGOSOSGE-QMMMGPOBSA-N -1 1 276.352 3.518 20 0 CHADMM Cc1ccc(CCCSc2ncc(C)c(=O)[n-]2)cc1 ZINC000582312502 1119049925 /nfs/dbraw/zinc/04/99/25/1119049925.db2.gz ZVCADSCLRSHWRE-UHFFFAOYSA-N -1 1 274.389 3.524 20 0 CHADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000048743231 1119081588 /nfs/dbraw/zinc/08/15/88/1119081588.db2.gz HASXTZQEGQUJTK-SECBINFHSA-N -1 1 295.791 3.907 20 0 CHADMM C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000226204195 1119327037 /nfs/dbraw/zinc/32/70/37/1119327037.db2.gz CEPVNESWSZBKAG-GBIKHYSHSA-N -1 1 281.783 3.600 20 0 CHADMM Cc1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1Cl ZINC001140657490 1119428204 /nfs/dbraw/zinc/42/82/04/1119428204.db2.gz SNPQJMJOXJWVHX-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM CCCc1occc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000343542233 1119448599 /nfs/dbraw/zinc/44/85/99/1119448599.db2.gz DYGUGUZERSEHLG-UHFFFAOYSA-N -1 1 279.723 3.843 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(Cl)cn1 ZINC000192273016 1119639221 /nfs/dbraw/zinc/63/92/21/1119639221.db2.gz YEPLPTPLBVBWNN-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM CCC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612295444 1119772112 /nfs/dbraw/zinc/77/21/12/1119772112.db2.gz PGDXWXPSNAFLOV-CYBMUJFWSA-N -1 1 298.386 3.593 20 0 CHADMM CCCC(C)(C)CC(=O)Nc1cccc(F)c1[O-] ZINC000628959905 1128888759 /nfs/dbraw/zinc/88/87/59/1128888759.db2.gz MAAKUDIIBUDBNQ-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM C[C@H]1Cc2ccccc2CN1Cc1ccc([O-])c(F)c1F ZINC001140892654 1120080475 /nfs/dbraw/zinc/08/04/75/1120080475.db2.gz VQIDKKINVZIQGU-NSHDSACASA-N -1 1 289.325 3.617 20 0 CHADMM CCn1nc(C)c([N-]c2nc3ccc(F)cc3o2)c1C ZINC000892697466 1120090118 /nfs/dbraw/zinc/09/01/18/1120090118.db2.gz SYVYSNQHUYTILF-UHFFFAOYSA-N -1 1 274.299 3.544 20 0 CHADMM O=C(Nc1ccnc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000190982275 1128895146 /nfs/dbraw/zinc/89/51/46/1128895146.db2.gz OUISEFIGLYQGMI-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM C[C@@H]1CC(C(=O)Nc2cc([O-])c(F)cc2F)C[C@@H](C)C1 ZINC001625893484 1120233045 /nfs/dbraw/zinc/23/30/45/1120233045.db2.gz JTQKDBIXVRJNEV-IUCAKERBSA-N -1 1 283.318 3.681 20 0 CHADMM Cc1c(F)ccc(N)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491523 1120323380 /nfs/dbraw/zinc/32/33/80/1120323380.db2.gz AKVSQLTWQQUTNS-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc(F)c2CO)cc1Cl ZINC001214491641 1120327487 /nfs/dbraw/zinc/32/74/87/1120327487.db2.gz HKVWLHYDYXYHTK-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000019839933 1120472252 /nfs/dbraw/zinc/47/22/52/1120472252.db2.gz LIWFRJRYQGJAQU-STQMWFEESA-N -1 1 283.371 3.949 20 0 CHADMM CN(C)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000191368583 1128920265 /nfs/dbraw/zinc/92/02/65/1128920265.db2.gz LRMMCDLQPINIGJ-UHFFFAOYSA-N -1 1 294.757 3.863 20 0 CHADMM COc1ccc(C(=O)Nc2cc(Cl)ccc2C)c([O-])c1 ZINC000019836510 1120527405 /nfs/dbraw/zinc/52/74/05/1120527405.db2.gz LFWXAPHDJZCZRR-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM Cc1cc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])c(C)s1 ZINC000132871651 1120701791 /nfs/dbraw/zinc/70/17/91/1120701791.db2.gz JJPVIDCSFZRWKW-SECBINFHSA-N -1 1 293.363 3.701 20 0 CHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000048653323 1120836810 /nfs/dbraw/zinc/83/68/10/1120836810.db2.gz JTXVLYIURROMFC-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM C[C@@H]1CC[C@@H](c2nc(=O)c3c4ccccc4sc3[n-]2)O1 ZINC000630385168 1128955537 /nfs/dbraw/zinc/95/55/37/1128955537.db2.gz MXRMZBJXOKLKEN-SCZZXKLOSA-N -1 1 286.356 3.790 20 0 CHADMM [O-]c1cccc(CNc2cnn(C3CCCC3)c2)c1Cl ZINC000722377077 1121009322 /nfs/dbraw/zinc/00/93/22/1121009322.db2.gz PFHSMJLKGAAAFC-UHFFFAOYSA-N -1 1 291.782 3.969 20 0 CHADMM [O-]c1cc(Nc2ccc(O)c(F)c2)c(F)cc1Cl ZINC001174738154 1121017313 /nfs/dbraw/zinc/01/73/13/1121017313.db2.gz MUELAACPOOWRDQ-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM O=C(NCc1cccc(F)c1)c1cc2ccccc2cc1[O-] ZINC000006584464 1121019330 /nfs/dbraw/zinc/01/93/30/1121019330.db2.gz WOHMPENVTDIHTA-UHFFFAOYSA-N -1 1 295.313 3.615 20 0 CHADMM CC(C)Oc1ccc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001174762499 1121022563 /nfs/dbraw/zinc/02/25/63/1121022563.db2.gz NLNAKRZOBQNXDS-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM COc1ccc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001174829074 1121047754 /nfs/dbraw/zinc/04/77/54/1121047754.db2.gz WQKNPYFQKJDENC-UHFFFAOYSA-N -1 1 264.712 3.501 20 0 CHADMM COc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1C ZINC001175017498 1121135556 /nfs/dbraw/zinc/13/55/56/1121135556.db2.gz QSEYMDMJTUATLG-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM CCOc1cccc(Nc2c([O-])cc(F)cc2F)c1F ZINC001175236253 1121238568 /nfs/dbraw/zinc/23/85/68/1121238568.db2.gz CZDXYCSZHLDQPH-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CCOc1cc(F)ccc1Nc1ccnc(Cl)c1[O-] ZINC001175286446 1121253105 /nfs/dbraw/zinc/25/31/05/1121253105.db2.gz NOPPMSHVCBMISD-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cc1csc(C(C)(C)NCc2cccc([O-])c2Cl)n1 ZINC000293584665 1121272436 /nfs/dbraw/zinc/27/24/36/1121272436.db2.gz NWWDXWJIEVLULM-UHFFFAOYSA-N -1 1 296.823 3.835 20 0 CHADMM CCOc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1OC ZINC001212543618 1121273313 /nfs/dbraw/zinc/27/33/13/1121273313.db2.gz WYROFJYUMAIOEX-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(-n2cccn2)cc1 ZINC001175370639 1121300774 /nfs/dbraw/zinc/30/07/74/1121300774.db2.gz PFDJETDRUSUDRN-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM Cc1nc(SCC2=CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023747 1128978891 /nfs/dbraw/zinc/97/88/91/1128978891.db2.gz VYODCHQFIWQFJF-UHFFFAOYSA-N -1 1 262.378 3.570 20 0 CHADMM Cc1nc(SC[C@H](C)C(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631023558 1128979090 /nfs/dbraw/zinc/97/90/90/1128979090.db2.gz ADVONUZSDKIHLU-LURJTMIESA-N -1 1 292.326 3.659 20 0 CHADMM Cc1nc(S[C@H]2CC[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023117 1128979307 /nfs/dbraw/zinc/97/93/07/1128979307.db2.gz IHFSUAIGBZATMT-KWQFWETISA-N -1 1 264.394 3.649 20 0 CHADMM COc1cc(C)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211725031 1121352351 /nfs/dbraw/zinc/35/23/51/1121352351.db2.gz ZTAOJZOIXGSBLN-UHFFFAOYSA-N -1 1 264.712 3.501 20 0 CHADMM CC(C)N(CC1CCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000614056948 1121353045 /nfs/dbraw/zinc/35/30/45/1121353045.db2.gz QYFHUNILGYVRJA-UHFFFAOYSA-N -1 1 298.386 3.591 20 0 CHADMM COc1cccc(Nc2ccnc(Cl)c2[O-])c1Cl ZINC001175893823 1121479076 /nfs/dbraw/zinc/47/90/76/1121479076.db2.gz HWQAGICOBITRLX-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM COc1cccc2[nH]c(Nc3ccnc(Cl)c3[O-])cc21 ZINC001176062088 1121544894 /nfs/dbraw/zinc/54/48/94/1121544894.db2.gz RCCPWQLGTZFDRI-UHFFFAOYSA-N -1 1 289.722 3.674 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1c(F)cc(F)c(F)c1F ZINC001176352288 1121612750 /nfs/dbraw/zinc/61/27/50/1121612750.db2.gz DSLDSVIHYXWQIE-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1csc(CO)c1 ZINC001176371375 1121617413 /nfs/dbraw/zinc/61/74/13/1121617413.db2.gz BSPHBXAUMUGZGU-UHFFFAOYSA-N -1 1 290.171 3.996 20 0 CHADMM CC(C)(C)c1nc([N-]c2ccccc2Cl)no1 ZINC001176550417 1121652265 /nfs/dbraw/zinc/65/22/65/1121652265.db2.gz IHAZSNNDYVBVDI-UHFFFAOYSA-N -1 1 251.717 3.764 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccccc1Cl ZINC001176553658 1121653774 /nfs/dbraw/zinc/65/37/74/1121653774.db2.gz YXQQMHKNPLLPGM-UHFFFAOYSA-N -1 1 287.702 3.896 20 0 CHADMM C[C@@H](O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670524 1121671038 /nfs/dbraw/zinc/67/10/38/1121671038.db2.gz XNNQLMNKLIEPKZ-SSDOTTSWSA-N -1 1 283.249 3.606 20 0 CHADMM COc1cc(F)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670844 1121671098 /nfs/dbraw/zinc/67/10/98/1121671098.db2.gz NGYAPWVZYFHLOS-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCOc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(C)n1 ZINC001176664831 1121671347 /nfs/dbraw/zinc/67/13/47/1121671347.db2.gz VJSDZDICBVTOMO-UHFFFAOYSA-N -1 1 298.264 3.655 20 0 CHADMM Cc1ncc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664829 1121671961 /nfs/dbraw/zinc/67/19/61/1121671961.db2.gz VGRTXOPEKMREBM-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3cnoc3c2)c1F ZINC001176671035 1121672236 /nfs/dbraw/zinc/67/22/36/1121672236.db2.gz RGKPDJYAHGLIAO-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672355 1121673114 /nfs/dbraw/zinc/67/31/14/1121673114.db2.gz HKHIKTNPENQNGL-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM CNc1cccc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673776 1121673538 /nfs/dbraw/zinc/67/35/38/1121673538.db2.gz LHYSRVOLIPSOCN-UHFFFAOYSA-N -1 1 282.265 3.903 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Cl)n2)c1F ZINC001176663036 1121678645 /nfs/dbraw/zinc/67/86/45/1121678645.db2.gz AFDPEVOBVPWJBR-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM COCOc1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001176722261 1121678554 /nfs/dbraw/zinc/67/85/54/1121678554.db2.gz OWBHRSHTGDKAFF-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM Cc1ccccc1[C@@H](CC(C)C)[N-]C(=O)C(F)(F)F ZINC000732781325 1121939945 /nfs/dbraw/zinc/93/99/45/1121939945.db2.gz YVNIQLXAEODNEN-GFCCVEGCSA-N -1 1 273.298 3.761 20 0 CHADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)c(C)cc1N ZINC001249965084 1121982359 /nfs/dbraw/zinc/98/23/59/1121982359.db2.gz UKWZFJISRVPWHZ-UHFFFAOYSA-N -1 1 282.265 3.752 20 0 CHADMM Cc1noc(C)c1Nc1cc(Cl)c([O-])cc1F ZINC001250019696 1122076079 /nfs/dbraw/zinc/07/60/79/1122076079.db2.gz ADDGTCQJWUSPLI-UHFFFAOYSA-N -1 1 256.664 3.533 20 0 CHADMM C[C@H](O)c1ccccc1Nc1cc(Cl)c([O-])cc1F ZINC001250026552 1122093935 /nfs/dbraw/zinc/09/39/35/1122093935.db2.gz QKYIYPJSNJYQNR-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM CO[C@@H](C)c1nc(=N[C@@H](C)CCC2CCCCC2)s[n-]1 ZINC000509541432 1122118637 /nfs/dbraw/zinc/11/86/37/1122118637.db2.gz KAOXGJYTWYQRBY-RYUDHWBXSA-N -1 1 297.468 3.828 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccsc2)c([O-])c1 ZINC000436843503 1122127629 /nfs/dbraw/zinc/12/76/29/1122127629.db2.gz HYSOIJXYAHSUOG-UHFFFAOYSA-N -1 1 261.346 3.829 20 0 CHADMM O=C(Cc1ccc(C2CCC2)cc1)Nc1ccc(F)cc1[O-] ZINC001183054212 1122202962 /nfs/dbraw/zinc/20/29/62/1122202962.db2.gz GLLBFWUDYSCHRG-UHFFFAOYSA-N -1 1 299.345 3.980 20 0 CHADMM Cc1noc(C(C)C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272762369 1122212434 /nfs/dbraw/zinc/21/24/34/1122212434.db2.gz QPOFRVAZONGGTI-UHFFFAOYSA-N -1 1 294.738 3.718 20 0 CHADMM CCO[C@@H](CC)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632175669 1129041007 /nfs/dbraw/zinc/04/10/07/1129041007.db2.gz YXHXGFPTKQJHDI-LBPRGKRZSA-N -1 1 296.754 3.507 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620213388 1129042745 /nfs/dbraw/zinc/04/27/45/1129042745.db2.gz CKLDBYGKUNOKLA-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001185256546 1122329716 /nfs/dbraw/zinc/32/97/16/1122329716.db2.gz VLBPMPDTQZYQTQ-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Nc1ccccc1C(=S)Nc1c(F)ccc([O-])c1Cl ZINC001250232181 1122377292 /nfs/dbraw/zinc/37/72/92/1122377292.db2.gz CMDJOOIOOPICHD-UHFFFAOYSA-N -1 1 296.754 3.555 20 0 CHADMM [O-]c1ccc(F)c(Nc2cn(C3CCC3)cn2)c1Cl ZINC001250233784 1122379205 /nfs/dbraw/zinc/37/92/05/1122379205.db2.gz DRJXMASAEICWIN-UHFFFAOYSA-N -1 1 281.718 3.850 20 0 CHADMM [O-]c1ccc(F)c(Nc2ccc(F)c(CO)c2)c1Cl ZINC001250233525 1122379313 /nfs/dbraw/zinc/37/93/13/1122379313.db2.gz QKGYCKYUMRYADL-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM C[C@H](O)c1ccccc1Nc1c(F)ccc([O-])c1Cl ZINC001250236436 1122386325 /nfs/dbraw/zinc/38/63/25/1122386325.db2.gz QLWOZYIVPZDJOL-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM CCc1ccccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001187637458 1122435385 /nfs/dbraw/zinc/43/53/85/1122435385.db2.gz LLKSXNDSXGZLLR-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM CCc1ccccc1NC(=O)Nc1c([O-])cccc1F ZINC001187638065 1122435768 /nfs/dbraw/zinc/43/57/68/1122435768.db2.gz ZQRKIZONLASIOA-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001187985800 1122449138 /nfs/dbraw/zinc/44/91/38/1122449138.db2.gz MZBYBEQPUVYJFT-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CCCc1cc(=O)[n-]c(SCC23CCC(CC2)C3)n1 ZINC001188162129 1122456456 /nfs/dbraw/zinc/45/64/56/1122456456.db2.gz GIKPQUNSGRMQGY-UHFFFAOYSA-N -1 1 278.421 3.807 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001189054456 1122487466 /nfs/dbraw/zinc/48/74/66/1122487466.db2.gz PJJNAKAAHMKGRB-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cnc(SCC/C=C\c2ccccc2)[n-]c1=O ZINC001189399445 1122500057 /nfs/dbraw/zinc/50/00/57/1122500057.db2.gz PXARPDQZUVVCLR-UITAMQMPSA-N -1 1 272.373 3.686 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccccc2CC)n1 ZINC000436242674 1122526449 /nfs/dbraw/zinc/52/64/49/1122526449.db2.gz OEJOXQVRFCRGIR-UHFFFAOYSA-N -1 1 274.389 3.599 20 0 CHADMM COCc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436527044 1122558647 /nfs/dbraw/zinc/55/86/47/1122558647.db2.gz KTGZJQNSVSLPMO-UHFFFAOYSA-N -1 1 299.370 3.914 20 0 CHADMM Cc1ccc(CO)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436598343 1122562754 /nfs/dbraw/zinc/56/27/54/1122562754.db2.gz YPCNSJMJKWHBGR-UHFFFAOYSA-N -1 1 299.370 3.569 20 0 CHADMM Cc1nc(C)c(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436589658 1122564426 /nfs/dbraw/zinc/56/44/26/1122564426.db2.gz QCMUYEYLOYXXPK-UHFFFAOYSA-N -1 1 290.388 3.841 20 0 CHADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1[O-] ZINC000436617587 1122566758 /nfs/dbraw/zinc/56/67/58/1122566758.db2.gz OMNZUEYVYVEFCN-UHFFFAOYSA-N -1 1 278.311 3.640 20 0 CHADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000620578340 1129063762 /nfs/dbraw/zinc/06/37/62/1129063762.db2.gz AJHQTSNQEZIXSV-GXTWGEPZSA-N -1 1 298.386 3.734 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000436760280 1122578197 /nfs/dbraw/zinc/57/81/97/1122578197.db2.gz OQAWNYBPQGAVLJ-UHFFFAOYSA-N -1 1 293.725 3.851 20 0 CHADMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436879194 1122591347 /nfs/dbraw/zinc/59/13/47/1122591347.db2.gz JJUZGLHXIOQCMY-NHYWBVRUSA-N -1 1 279.355 3.620 20 0 CHADMM CC1(Cc2noc(-c3cc(F)ccc3[O-])n2)CCCC1 ZINC000436887141 1122592374 /nfs/dbraw/zinc/59/23/74/1122592374.db2.gz PFRZKBWPMMBYBM-UHFFFAOYSA-N -1 1 276.311 3.704 20 0 CHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436916804 1122594455 /nfs/dbraw/zinc/59/44/55/1122594455.db2.gz XULBZTGEADPDRN-NSHDSACASA-N -1 1 281.783 3.696 20 0 CHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000436922672 1122595027 /nfs/dbraw/zinc/59/50/27/1122595027.db2.gz PCFZBICCUOSUSM-LLVKDONJSA-N -1 1 281.783 3.696 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001191420384 1122598512 /nfs/dbraw/zinc/59/85/12/1122598512.db2.gz OWUQVCRVWPBKQO-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1ccc(F)cc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001191411621 1122598787 /nfs/dbraw/zinc/59/87/87/1122598787.db2.gz UXIPFTCTXHDGAO-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CC(C)n1cc2ccc(NC(=O)c3ccccc3[O-])cc2n1 ZINC000436956188 1122599009 /nfs/dbraw/zinc/59/90/09/1122599009.db2.gz PPAAJVTYNMUTFX-UHFFFAOYSA-N -1 1 295.342 3.575 20 0 CHADMM O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])cc(F)c1F ZINC001192670926 1122655013 /nfs/dbraw/zinc/65/50/13/1122655013.db2.gz QTLXLCSXNHMLQH-UHFFFAOYSA-N -1 1 289.241 3.520 20 0 CHADMM Cc1ccc(OC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001194457719 1122775211 /nfs/dbraw/zinc/77/52/11/1122775211.db2.gz BADRGSVUGGQMNN-UHFFFAOYSA-N -1 1 279.242 3.590 20 0 CHADMM COc1ccc(OC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001194535751 1122783496 /nfs/dbraw/zinc/78/34/96/1122783496.db2.gz XHXMVZXHCKTXQE-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC001194603041 1122785276 /nfs/dbraw/zinc/78/52/76/1122785276.db2.gz ORZTVVFPPULZDT-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CCC(CC)COC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194708784 1122796783 /nfs/dbraw/zinc/79/67/83/1122796783.db2.gz JTGKBVFYHXRPOR-UHFFFAOYSA-N -1 1 273.279 3.655 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1ccc(C(C)C)c(C)c1 ZINC001195483939 1122873213 /nfs/dbraw/zinc/87/32/13/1122873213.db2.gz HQBDPYYPLBXOJA-UHFFFAOYSA-N -1 1 280.393 3.561 20 0 CHADMM Cc1cc(F)ccc1NC(=S)Nc1ccc(F)cc1[O-] ZINC001196114934 1122908812 /nfs/dbraw/zinc/90/88/12/1122908812.db2.gz ACDAOZYHKYLRAS-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cc(F)ccc1NC(=S)Nc1cccc(F)c1[O-] ZINC001196122285 1122909258 /nfs/dbraw/zinc/90/92/58/1122909258.db2.gz HERQGCMNQUZCQC-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM [O-]c1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1Cl ZINC001251036965 1122932794 /nfs/dbraw/zinc/93/27/94/1122932794.db2.gz NVMNUUUDBCSROQ-UHFFFAOYSA-N -1 1 280.661 3.867 20 0 CHADMM Cc1cnc(C(=O)N2CCCCC[C@H]2CC(C)C)c([O-])c1 ZINC000427464761 1122981134 /nfs/dbraw/zinc/98/11/34/1122981134.db2.gz XMTIKZPILWGZTG-AWEZNQCLSA-N -1 1 290.407 3.527 20 0 CHADMM Cc1cccc(NC(=S)Nc2c(F)cc([O-])cc2F)c1 ZINC001198688772 1123007975 /nfs/dbraw/zinc/00/79/75/1123007975.db2.gz NLUODOMOGXUJNL-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198867818 1123014676 /nfs/dbraw/zinc/01/46/76/1123014676.db2.gz BDYBGIICKFBSBD-UHFFFAOYSA-N -1 1 299.351 3.877 20 0 CHADMM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000188235700 1123055327 /nfs/dbraw/zinc/05/53/27/1123055327.db2.gz IJJKAEGHAYNGOJ-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM COc1cccc(NC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001202277099 1123195449 /nfs/dbraw/zinc/19/54/49/1123195449.db2.gz MVLBPVREXFDYBI-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM Cc1cccc(NC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001202314845 1123197971 /nfs/dbraw/zinc/19/79/71/1123197971.db2.gz NSFYANXKZAYGBB-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM CC1(C)CC[C@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3cccc1c32 ZINC000776511701 1123321055 /nfs/dbraw/zinc/32/10/55/1123321055.db2.gz LNZLMEHJJDTYAN-CABZTGNLSA-N -1 1 297.320 3.965 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000634617120 1129121898 /nfs/dbraw/zinc/12/18/98/1129121898.db2.gz GMJPWWQIACBURN-QGZVFWFLSA-N -1 1 290.366 3.852 20 0 CHADMM CCc1c(C(C)C)[n-]n(-c2ccnc3ccccc32)c1=O ZINC000634602917 1129120906 /nfs/dbraw/zinc/12/09/06/1129120906.db2.gz JFJVJNCFQYJSBV-LBPRGKRZSA-N -1 1 281.359 3.620 20 0 CHADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676947 1123481207 /nfs/dbraw/zinc/48/12/07/1123481207.db2.gz XQTQOPQCBLXARI-YUMQZZPRSA-N -1 1 273.735 3.805 20 0 CHADMM COc1ccc(C(=O)Nc2cccc(C(C)C)c2)c([O-])c1 ZINC000011868097 1123482339 /nfs/dbraw/zinc/48/23/39/1123482339.db2.gz JQQLIIHUNGHGNU-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678960 1123484443 /nfs/dbraw/zinc/48/44/43/1123484443.db2.gz ZHCBJTJUDMKCCU-RKDXNWHRSA-N -1 1 285.746 3.950 20 0 CHADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OCCC2CC2)c1 ZINC000857511841 1123603948 /nfs/dbraw/zinc/60/39/48/1123603948.db2.gz BAXNKWCATFMDJF-AWEZNQCLSA-N -1 1 289.419 3.837 20 0 CHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OCCC2CC2)cc1 ZINC000857512189 1123604011 /nfs/dbraw/zinc/60/40/11/1123604011.db2.gz JISGEEGAOSUJPC-AWEZNQCLSA-N -1 1 289.419 3.837 20 0 CHADMM C[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)CC12CCCCC2 ZINC000858484494 1123657917 /nfs/dbraw/zinc/65/79/17/1123657917.db2.gz SQHHHEBEFDWMBS-NSHDSACASA-N -1 1 295.814 3.632 20 0 CHADMM C[C@H](N(C)C(=O)c1ccc2ccc(O)cc2c1[O-])C1(C)CC1 ZINC000896895378 1123721457 /nfs/dbraw/zinc/72/14/57/1123721457.db2.gz QXEFXDMFZUUWJC-NSHDSACASA-N -1 1 299.370 3.512 20 0 CHADMM [O-]c1cc(Cl)c(OC2CC(F)(F)C2)cc1Cl ZINC001227640331 1123836566 /nfs/dbraw/zinc/83/65/66/1123836566.db2.gz ADTKYGRRTSPIIR-UHFFFAOYSA-N -1 1 269.074 3.876 20 0 CHADMM CCOc1cc(-c2nc(CC(C)C)no2)cc(Cl)c1[O-] ZINC000443081880 1124037058 /nfs/dbraw/zinc/03/70/58/1124037058.db2.gz XCGVQZMUUGXDNY-UHFFFAOYSA-N -1 1 296.754 3.693 20 0 CHADMM CC(C)c1noc([N-][C@H](C)c2cc3cnccc3o2)n1 ZINC000866264852 1124043325 /nfs/dbraw/zinc/04/33/25/1124043325.db2.gz UJMRIFKRPVVOEL-SECBINFHSA-N -1 1 272.308 3.507 20 0 CHADMM C[C@H]1CC/C(=C\c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445484916 1124086342 /nfs/dbraw/zinc/08/63/42/1124086342.db2.gz XWYCHPVSLXDVSL-HZAKCSEPSA-N -1 1 274.295 3.785 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1F ZINC000445484423 1124086591 /nfs/dbraw/zinc/08/65/91/1124086591.db2.gz ZEEMEAMATRTMOD-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CCC(CC)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478911 1124086652 /nfs/dbraw/zinc/08/66/52/1124086652.db2.gz TXLXOHSGJJDOPH-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445476154 1124087023 /nfs/dbraw/zinc/08/70/23/1124087023.db2.gz ZDBQIPSMTCGGNV-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM CCC(CC)c1nnc([N-]C(=O)c2sccc2F)s1 ZINC000339078219 1124105844 /nfs/dbraw/zinc/10/58/44/1124105844.db2.gz MQSYBYOLNBEHKJ-UHFFFAOYSA-N -1 1 299.396 3.895 20 0 CHADMM Cc1ccc(-c2nnc(-c3cc(F)ccc3[O-])o2)cc1 ZINC001252687136 1124494710 /nfs/dbraw/zinc/49/47/10/1124494710.db2.gz YVJYERGJMPHFAX-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM COc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000526943033 1124530327 /nfs/dbraw/zinc/53/03/27/1124530327.db2.gz ZIVSUMXHGIQBBM-SECBINFHSA-N -1 1 299.798 3.561 20 0 CHADMM CCCc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CC ZINC000871964502 1124655826 /nfs/dbraw/zinc/65/58/26/1124655826.db2.gz RDXVSUHSOPLNED-KGLIPLIRSA-N -1 1 292.423 3.503 20 0 CHADMM CC(C)[C@@H]1CCc2[n-]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964323 1124655846 /nfs/dbraw/zinc/65/58/46/1124655846.db2.gz WOFGIGWZMCFYLP-UPJWGTAASA-N -1 1 298.377 3.692 20 0 CHADMM CCC[C@H](CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000873993071 1124813139 /nfs/dbraw/zinc/81/31/39/1124813139.db2.gz MMAVWJBYJQDEIO-NSHDSACASA-N -1 1 287.363 3.547 20 0 CHADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)[C@@H]1c1ccccc1 ZINC001136401291 1131313877 /nfs/dbraw/zinc/31/38/77/1131313877.db2.gz NYTRJLYCHACBHU-MRXNPFEDSA-N -1 1 299.345 3.755 20 0 CHADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)CC1(C)C ZINC000760136417 1124927335 /nfs/dbraw/zinc/92/73/35/1124927335.db2.gz GGDMHVKNSQWCBS-SNVBAGLBSA-N -1 1 281.783 3.554 20 0 CHADMM CC[C@H]1CC[C@@H](C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395918 1124944571 /nfs/dbraw/zinc/94/45/71/1124944571.db2.gz SDOVZCBTQSBBHU-PWSUYJOCSA-N -1 1 296.798 3.518 20 0 CHADMM C[C@@H](CC1CCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530007522 1125109643 /nfs/dbraw/zinc/10/96/43/1125109643.db2.gz WTPCKVFFJDAAIR-JTQLQIEISA-N -1 1 265.328 3.686 20 0 CHADMM CCCC(CCC)C(=O)Nc1cccc(F)c1[O-] ZINC000530005246 1125113350 /nfs/dbraw/zinc/11/33/50/1125113350.db2.gz JJSNIANVUTVCEO-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000530005008 1125113818 /nfs/dbraw/zinc/11/38/18/1125113818.db2.gz FABNBIOCXIMZJW-UHFFFAOYSA-N -1 1 289.350 3.686 20 0 CHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc(Cl)c1F ZINC000530179012 1125130439 /nfs/dbraw/zinc/13/04/39/1125130439.db2.gz KNZGYVKSSLLTNX-NXEZZACHSA-N -1 1 299.773 3.553 20 0 CHADMM CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000880236938 1125258866 /nfs/dbraw/zinc/25/88/66/1125258866.db2.gz MKPWUDLQDOATEJ-VFZGTOFNSA-N -1 1 283.318 3.825 20 0 CHADMM Cc1cc(F)c(C(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000133318329 1125444923 /nfs/dbraw/zinc/44/49/23/1125444923.db2.gz PSSCLZLFMCMJLL-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM CO[C@@H]1CC=C(Nc2cc([O-])c(Cl)cc2F)CC1 ZINC001212879431 1129304453 /nfs/dbraw/zinc/30/44/53/1129304453.db2.gz AGMARTAJYNFRGO-SECBINFHSA-N -1 1 271.719 3.679 20 0 CHADMM COc1ccc2cnc(-c3cc(F)ccc3[O-])cc2c1 ZINC001240693387 1129317792 /nfs/dbraw/zinc/31/77/92/1129317792.db2.gz ADTBYXMQSBNRBP-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM Cc1cccc(-c2ccc(C[N-]C(=O)C(F)(F)F)cc2)c1 ZINC000736168695 1129370639 /nfs/dbraw/zinc/37/06/39/1129370639.db2.gz HICKBXQPUXVTPS-UHFFFAOYSA-N -1 1 293.288 3.841 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(CO)c(Cl)c2)cc1F ZINC001212893535 1129378350 /nfs/dbraw/zinc/37/83/50/1129378350.db2.gz JJXFWQBRNKYVLW-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM CC(C)c1nc2cc(NC(=O)c3ccccc3[O-])ccc2o1 ZINC000642230724 1129411056 /nfs/dbraw/zinc/41/10/56/1129411056.db2.gz ZQQPYOYDTARIGN-UHFFFAOYSA-N -1 1 296.326 3.909 20 0 CHADMM [O-]c1cc(F)c(-c2cccnc2C(F)F)c(F)c1 ZINC001241122287 1129460963 /nfs/dbraw/zinc/46/09/63/1129460963.db2.gz LJJZVUPRJFWCAS-UHFFFAOYSA-N -1 1 257.186 3.670 20 0 CHADMM COc1cc(F)c(F)cc1NCc1cccc([O-])c1Cl ZINC000645181476 1129490927 /nfs/dbraw/zinc/49/09/27/1129490927.db2.gz DFGNXVHQXCGLHX-UHFFFAOYSA-N -1 1 299.704 3.945 20 0 CHADMM CSc1cc(F)ccc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000648619688 1129615979 /nfs/dbraw/zinc/61/59/79/1129615979.db2.gz MWBQHLXAQCSOQG-UHFFFAOYSA-N -1 1 294.351 3.911 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1coc(C2CCC2)n1 ZINC000192812256 1129643941 /nfs/dbraw/zinc/64/39/41/1129643941.db2.gz YJJPOLSYJWKRGO-UHFFFAOYSA-N -1 1 292.722 3.553 20 0 CHADMM Cc1cc(F)c2[nH]ccc2c1[N-]c1nnc(C(C)C)o1 ZINC001212971952 1129644429 /nfs/dbraw/zinc/64/44/29/1129644429.db2.gz TWPRKMLZCCSWNX-UHFFFAOYSA-N -1 1 274.299 3.865 20 0 CHADMM Nc1cn(-c2ccc(Cl)c([O-])c2)c2nccc-2c1Cl ZINC001212590624 1129732477 /nfs/dbraw/zinc/73/24/77/1129732477.db2.gz WADFGCMVJBVRIP-UHFFFAOYSA-N -1 1 294.141 3.572 20 0 CHADMM [O-]c1c(Cl)cccc1-c1ccc(C2OCCO2)c(F)c1 ZINC001242367201 1129798323 /nfs/dbraw/zinc/79/83/23/1129798323.db2.gz YSIGCAVUSLITNB-UHFFFAOYSA-N -1 1 294.709 3.897 20 0 CHADMM CC[C@@](C)(NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000768030313 1129827294 /nfs/dbraw/zinc/82/72/94/1129827294.db2.gz ISSOYMIHUNZKER-QGZVFWFLSA-N -1 1 287.334 3.587 20 0 CHADMM CC(C)N(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCC1 ZINC000900803261 1129899301 /nfs/dbraw/zinc/89/93/01/1129899301.db2.gz YYZSNRGTKWGVJP-UHFFFAOYSA-N -1 1 299.370 3.654 20 0 CHADMM COC(=O)c1nc2cc(C=Cc3ccccc3)ccc2[n-]1 ZINC001239594703 1131405974 /nfs/dbraw/zinc/40/59/74/1131405974.db2.gz VNHJCXFLIHIPQD-BQYQJAHWSA-N -1 1 278.311 3.520 20 0 CHADMM COC(=O)c1nc2ccc(C=Cc3ccccc3)cc2[n-]1 ZINC001239594703 1131405981 /nfs/dbraw/zinc/40/59/81/1131405981.db2.gz VNHJCXFLIHIPQD-BQYQJAHWSA-N -1 1 278.311 3.520 20 0 CHADMM CC1CCC(N(C)C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769626028 1129919782 /nfs/dbraw/zinc/91/97/82/1129919782.db2.gz BKYKYBNMDNQSIV-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1c([O-])cccc1Cl ZINC000769668719 1129920932 /nfs/dbraw/zinc/92/09/32/1129920932.db2.gz SSMMNZNIBFIDET-PWSUYJOCSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769918224 1129929492 /nfs/dbraw/zinc/92/94/92/1129929492.db2.gz OETFDGBVEMCNET-WDEREUQCSA-N -1 1 281.783 3.696 20 0 CHADMM CCc1nc(SCc2ccccc2CF)[n-]c(=O)c1C ZINC000901565439 1129937135 /nfs/dbraw/zinc/93/71/35/1129937135.db2.gz ZBOWGUXWYSBHJL-UHFFFAOYSA-N -1 1 292.379 3.815 20 0 CHADMM Cc1csc(C)c1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000901826019 1129957499 /nfs/dbraw/zinc/95/74/99/1129957499.db2.gz SSJANAXEZPLTIN-UHFFFAOYSA-N -1 1 295.429 3.783 20 0 CHADMM Cc1cc(CNCc2ccc(Cl)cc2C)oc1C(=O)[O-] ZINC000901942297 1129967157 /nfs/dbraw/zinc/96/71/57/1129967157.db2.gz PBJLULLWUWWSRU-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(C(C)(C)C)s2)[C@@H](C(=O)[O-])C1 ZINC000902010872 1129971223 /nfs/dbraw/zinc/97/12/23/1129971223.db2.gz DPWUGEJZTFSGRC-DGCLKSJQSA-N -1 1 295.448 3.731 20 0 CHADMM CC(C)c1ccc(CNCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000902108417 1129980701 /nfs/dbraw/zinc/98/07/01/1129980701.db2.gz KEKAPKBWXACSDV-KTKRTIGZSA-N -1 1 299.370 3.791 20 0 CHADMM CC[C@@](C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000902236718 1129992804 /nfs/dbraw/zinc/99/28/04/1129992804.db2.gz WFTZTYCFZMUKDZ-YUIUBULTSA-N -1 1 299.370 3.792 20 0 CHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC001137753184 1131412507 /nfs/dbraw/zinc/41/25/07/1131412507.db2.gz FGOJJZXSFRRALV-OAHLLOKOSA-N -1 1 291.297 3.552 20 0 CHADMM Cc1cccc([C@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000902272664 1129995353 /nfs/dbraw/zinc/99/53/53/1129995353.db2.gz WQMVUUMSUWXGRA-CMUBDUJZSA-N -1 1 299.370 3.845 20 0 CHADMM Cc1cccc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1C ZINC000902272661 1129995523 /nfs/dbraw/zinc/99/55/23/1129995523.db2.gz WQMVUUMSUWXGRA-ATWMFIQVSA-N -1 1 299.370 3.845 20 0 CHADMM [O-]c1cccc(-c2ncccc2OC(F)F)c1Cl ZINC001242798693 1130052451 /nfs/dbraw/zinc/05/24/51/1130052451.db2.gz VTRBZMGDKFLNMQ-UHFFFAOYSA-N -1 1 271.650 3.709 20 0 CHADMM CC(=O)N1CCc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242800250 1130055379 /nfs/dbraw/zinc/05/53/79/1130055379.db2.gz KNHMJDQAXDHMBV-UHFFFAOYSA-N -1 1 287.746 3.622 20 0 CHADMM Nc1cnc2c(cccc2-c2cccc([O-])c2Cl)c1 ZINC001242802397 1130055857 /nfs/dbraw/zinc/05/58/57/1130055857.db2.gz FICRQQICCSOMHA-UHFFFAOYSA-N -1 1 270.719 3.843 20 0 CHADMM [O-]c1c(Cl)cc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001242853499 1130092454 /nfs/dbraw/zinc/09/24/54/1130092454.db2.gz QFEUPLGGGGFSSW-UHFFFAOYSA-N -1 1 280.114 3.637 20 0 CHADMM [O-]c1c(Cl)cc(-c2ccc3nn[nH]c3c2)cc1Cl ZINC001242853499 1130092461 /nfs/dbraw/zinc/09/24/61/1130092461.db2.gz QFEUPLGGGGFSSW-UHFFFAOYSA-N -1 1 280.114 3.637 20 0 CHADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000789862716 1130279275 /nfs/dbraw/zinc/27/92/75/1130279275.db2.gz LWTMICTXAVGQFD-GMTAPVOTSA-N -1 1 281.783 3.552 20 0 CHADMM CC(C)[C@H]1CC[C@H](C(=O)Nc2c([O-])cccc2F)CC1 ZINC000677123948 1130290581 /nfs/dbraw/zinc/29/05/81/1130290581.db2.gz TVUXFFDILOTXNC-HAQNSBGRSA-N -1 1 279.355 3.932 20 0 CHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)cc(C)c1F ZINC000677891122 1130338109 /nfs/dbraw/zinc/33/81/09/1130338109.db2.gz IFFNNUMVLONXCL-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM Cc1c([N-]c2nc(C(C)C)ns2)cnn1CC(C)C ZINC000678407262 1130411100 /nfs/dbraw/zinc/41/11/00/1130411100.db2.gz SGDAQLZUDXRRDV-UHFFFAOYSA-N -1 1 279.413 3.566 20 0 CHADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2ccco2)n1 ZINC001240695033 1130422278 /nfs/dbraw/zinc/42/22/78/1130422278.db2.gz AGJFDJMSYYIGPT-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM COc1ccccc1-c1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240782961 1130468091 /nfs/dbraw/zinc/46/80/91/1130468091.db2.gz LTBVCBZDJODZIH-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM COC(=O)c1ccc2ccnc(-c3ccc([O-])c(F)c3)c2c1 ZINC001240783142 1130468627 /nfs/dbraw/zinc/46/86/27/1130468627.db2.gz MBHFKXPMBLRTIK-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM CC(C)n1ccc2c1ncnc2-c1ccc([O-])c(F)c1 ZINC001240783736 1130468750 /nfs/dbraw/zinc/46/87/50/1130468750.db2.gz YKBKKJPNOBWLPX-UHFFFAOYSA-N -1 1 271.295 3.524 20 0 CHADMM COc1cc(-c2ccc([O-])c(F)c2)nc(-c2ccccc2)n1 ZINC001240782394 1130468840 /nfs/dbraw/zinc/46/88/40/1130468840.db2.gz YULUILBIKZESCI-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM [O-]c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1F ZINC001240785582 1130469799 /nfs/dbraw/zinc/46/97/99/1130469799.db2.gz GYOPVJRFGADVEV-UHFFFAOYSA-N -1 1 278.151 3.894 20 0 CHADMM [O-]c1ccc(-c2ncc(F)c(-c3ccsc3)n2)cc1F ZINC001240785688 1130470110 /nfs/dbraw/zinc/47/01/10/1130470110.db2.gz BBFZTHWKLOLIGP-UHFFFAOYSA-N -1 1 290.294 3.856 20 0 CHADMM Cc1ccc(C(=O)[O-])cc1-c1ccc(F)c(CN(C)C)c1 ZINC001241005757 1130561993 /nfs/dbraw/zinc/56/19/93/1130561993.db2.gz RKOYJECUGIKZGE-UHFFFAOYSA-N -1 1 287.334 3.561 20 0 CHADMM CCCCC[C@](C)(CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000780536051 1130683040 /nfs/dbraw/zinc/68/30/40/1130683040.db2.gz MOJQJQQVOLLJRD-ZFWWWQNUSA-N -1 1 271.401 3.557 20 0 CHADMM CC(C)OCCON=c1ccc(C(F)(F)F)c(Cl)[n-]1 ZINC000812488829 1130697546 /nfs/dbraw/zinc/69/75/46/1130697546.db2.gz NMNRXEYAOIMJON-UHFFFAOYSA-N -1 1 298.692 3.522 20 0 CHADMM Cc1ccc(F)c(-c2nc3ccccc3nc2C)c1[O-] ZINC001236389481 1130924984 /nfs/dbraw/zinc/92/49/84/1130924984.db2.gz FFEOSYIKBYMRTP-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2cccc(Cc3ccncc3)n2)c1[O-] ZINC001236389446 1130925487 /nfs/dbraw/zinc/92/54/87/1130925487.db2.gz DAXVYFAOFZWCLX-UHFFFAOYSA-N -1 1 294.329 3.888 20 0 CHADMM Cc1ccc(F)c(-c2ccnc(C(C)(C)C)n2)c1[O-] ZINC001236390179 1130925614 /nfs/dbraw/zinc/92/56/14/1130925614.db2.gz DDJGMOXBDMPMDF-UHFFFAOYSA-N -1 1 260.312 3.594 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2C2CCOCC2)c1[O-] ZINC001236392627 1130926484 /nfs/dbraw/zinc/92/64/84/1130926484.db2.gz QGVYILWKOAFVLX-UHFFFAOYSA-N -1 1 287.334 3.796 20 0 CHADMM Cc1ccc(F)c(-c2nc(C3CC3)nc3[nH]ccc32)c1[O-] ZINC001236391619 1130927080 /nfs/dbraw/zinc/92/70/80/1130927080.db2.gz LXQNUDVMZHPDKU-UHFFFAOYSA-N -1 1 283.306 3.607 20 0 CHADMM C[C@@H](O)c1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000815140005 1130965866 /nfs/dbraw/zinc/96/58/66/1130965866.db2.gz LQIQKOCHMRIQSB-SECBINFHSA-N -1 1 295.741 3.850 20 0 CHADMM Oc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)ccc1F ZINC001236709805 1130997715 /nfs/dbraw/zinc/99/77/15/1130997715.db2.gz IGAOPXNOGJQWFJ-UHFFFAOYSA-N -1 1 283.346 3.821 20 0 CHADMM Nc1nc(Cl)ccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001159379279 1131001865 /nfs/dbraw/zinc/00/18/65/1131001865.db2.gz 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CC(=O)c1cc(Nc2ccc(F)cc2[O-])cc(C(C)=O)c1 ZINC001210020514 1134124298 /nfs/dbraw/zinc/12/42/98/1134124298.db2.gz PJKGMVYWWCKIAK-UHFFFAOYSA-N -1 1 287.290 3.680 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc(Cl)c1O ZINC001210220763 1134170478 /nfs/dbraw/zinc/17/04/78/1134170478.db2.gz YPIBIYPZVXDTME-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Nc1cccc2c1c(Cl)nn2-c1cccc(Cl)c1[O-] ZINC001210223068 1134171175 /nfs/dbraw/zinc/17/11/75/1134171175.db2.gz JWJFJVOUOQFTJK-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM CC(C)n1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001210322633 1134192443 /nfs/dbraw/zinc/19/24/43/1134192443.db2.gz OYKHQECJGYEZGZ-UHFFFAOYSA-N -1 1 269.707 3.706 20 0 CHADMM COc1c(F)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001210410294 1134211455 /nfs/dbraw/zinc/21/14/55/1134211455.db2.gz ZBKDBLBNHWOVTQ-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM [O-]c1cc(Nc2ccnc(OC3CC3)c2)c(F)cc1Cl ZINC001210748901 1134288834 /nfs/dbraw/zinc/28/88/34/1134288834.db2.gz NRONWRVEOLCOPR-UHFFFAOYSA-N -1 1 294.713 3.865 20 0 CHADMM Cc1c[nH]c(=O)cc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210926343 1134329826 /nfs/dbraw/zinc/32/98/26/1134329826.db2.gz JCKWVCUNAUUQQA-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM Cc1cn2cc(Nc3cccc([S-])c3)ccc2n1 ZINC001210945017 1134334462 /nfs/dbraw/zinc/33/44/62/1134334462.db2.gz GSXOZZUCEYLKSZ-UHFFFAOYSA-N -1 1 255.346 3.675 20 0 CHADMM [O-]c1cc(F)c(-c2ccnc(N3CCCCC3)c2)cc1F ZINC001211340803 1134410614 /nfs/dbraw/zinc/41/06/14/1134410614.db2.gz YVFDGEZMIYUVLT-UHFFFAOYSA-N -1 1 290.313 3.723 20 0 CHADMM CC(=O)Nc1cc(-c2cc(F)c([O-])cc2F)ccc1C ZINC001211352403 1134411262 /nfs/dbraw/zinc/41/12/62/1134411262.db2.gz MGXNCSMARCGEIE-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM CCOc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211350939 1134411692 /nfs/dbraw/zinc/41/16/92/1134411692.db2.gz ZKMVFIJZQGRMJP-UHFFFAOYSA-N -1 1 250.244 3.736 20 0 CHADMM [O-]c1cc(F)c(-c2ccnc(-c3ccccn3)c2)cc1F ZINC001211359592 1134412377 /nfs/dbraw/zinc/41/23/77/1134412377.db2.gz JEYPGIFXNLENNX-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM COC(=O)c1ccc(C)c(-c2cc(F)c([O-])cc2F)c1C ZINC001211359133 1134412722 /nfs/dbraw/zinc/41/27/22/1134412722.db2.gz BPOJPBDMXGVWMM-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM [O-]c1cc(F)c(-c2cncc(OC(F)(F)F)c2)cc1F ZINC001211360873 1134412860 /nfs/dbraw/zinc/41/28/60/1134412860.db2.gz YNVNHFHTEGYSNU-UHFFFAOYSA-N -1 1 291.175 3.631 20 0 CHADMM CCOc1ccc(F)cc1-c1cc(F)c([O-])cc1F ZINC001211359443 1134412871 /nfs/dbraw/zinc/41/28/71/1134412871.db2.gz HGGYUEKCKITJDF-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM Nc1cc(Cl)ccc1Nc1cc(F)c([O-])cc1F ZINC001213656618 1134474748 /nfs/dbraw/zinc/47/47/48/1134474748.db2.gz SJFWRIIDHJHNFH-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM COc1cccc([N-]c2nnc(-c3ccco3)o2)c1C1CC1 ZINC001213797040 1134485270 /nfs/dbraw/zinc/48/52/70/1134485270.db2.gz ITKMXMIRXXMVGI-UHFFFAOYSA-N -1 1 297.314 3.959 20 0 CHADMM Fc1ccc(Cl)c([N-]c2noc3cccnc23)c1F ZINC001213942731 1134499607 /nfs/dbraw/zinc/49/96/07/1134499607.db2.gz IEVWZNRQOKHCIX-UHFFFAOYSA-N -1 1 281.649 3.898 20 0 CHADMM CCOc1cccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479554 1134542296 /nfs/dbraw/zinc/54/22/96/1134542296.db2.gz AEUAQXHDUJJQLO-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)nc1 ZINC001214477413 1134542585 /nfs/dbraw/zinc/54/25/85/1134542585.db2.gz MHNCTBGSZWHFKL-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM Cn1ncc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214486492 1134543313 /nfs/dbraw/zinc/54/33/13/1134543313.db2.gz KGIDQPYDLAGIPR-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM O=c1[nH]c2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc2o1 ZINC001214488872 1134543553 /nfs/dbraw/zinc/54/35/53/1134543553.db2.gz OSSSJULZBUUSNO-UHFFFAOYSA-N -1 1 294.669 3.775 20 0 CHADMM Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(O)c1 ZINC001214486781 1134543728 /nfs/dbraw/zinc/54/37/28/1134543728.db2.gz YUBJVJNSYMDULA-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM COc1c(O)cccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214493983 1134544449 /nfs/dbraw/zinc/54/44/49/1134544449.db2.gz GTAZDNNCWNNKAT-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc3ncncc3c2)cc1Cl ZINC001214491577 1134544563 /nfs/dbraw/zinc/54/45/63/1134544563.db2.gz CZTCEONBXUKTIL-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(CO)c(F)c2)cc1Cl ZINC001214494531 1134544623 /nfs/dbraw/zinc/54/46/23/1134544623.db2.gz SPULTRJAVMJGFI-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(OC)c1 ZINC001214489747 1134545079 /nfs/dbraw/zinc/54/50/79/1134545079.db2.gz JTTIFLLHYAOACJ-UHFFFAOYSA-N -1 1 297.713 3.946 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(O)c(F)c(F)c2)cc1Cl ZINC001214489671 1134545326 /nfs/dbraw/zinc/54/53/26/1134545326.db2.gz GLDAXCRLKLPMGM-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM COc1c(C)ccc(F)c1Nc1c([O-])cc(F)cc1F ZINC001214534551 1134548026 /nfs/dbraw/zinc/54/80/26/1134548026.db2.gz HJYMRBJXMBGKLA-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM COCOc1c(C)cccc1Nc1c([O-])cc(F)cc1F ZINC001214851205 1134577396 /nfs/dbraw/zinc/57/73/96/1134577396.db2.gz SKIISHBMJJLJPB-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM Cc1c(C)c(Nc2cc(F)c([O-])cc2F)ccc1CO ZINC001215247951 1134611213 /nfs/dbraw/zinc/61/12/13/1134611213.db2.gz ZXHGUPOXONGJDD-UHFFFAOYSA-N -1 1 279.286 3.523 20 0 CHADMM O=C1CCc2ccc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001215571739 1134644759 /nfs/dbraw/zinc/64/47/59/1134644759.db2.gz JPJWJOGSSDSIJZ-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM Cc1cc2c(cccc2Nc2cc(F)c([O-])cc2F)nn1 ZINC001215573867 1134645731 /nfs/dbraw/zinc/64/57/31/1134645731.db2.gz RSAXYAJFZBJMRF-UHFFFAOYSA-N -1 1 287.269 3.666 20 0 CHADMM COc1cc(C)cc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001215709354 1134664981 /nfs/dbraw/zinc/66/49/81/1134664981.db2.gz PRCWMZLZYCWZJX-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM CC(C)Oc1cc(Nc2ccc(F)c(F)c2[O-])ccn1 ZINC001215768455 1134681506 /nfs/dbraw/zinc/68/15/06/1134681506.db2.gz LFHZYQVRWMWHCS-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM CC(C)Oc1cnc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001215782943 1134685858 /nfs/dbraw/zinc/68/58/58/1134685858.db2.gz JFBAPZKGJZTFHM-UHFFFAOYSA-N -1 1 297.717 3.506 20 0 CHADMM COc1c(C)cc(C)cc1[N-]c1nnc(-c2ccco2)o1 ZINC001215996681 1134746096 /nfs/dbraw/zinc/74/60/96/1134746096.db2.gz KMHAPMUCOBIFBL-UHFFFAOYSA-N -1 1 285.303 3.699 20 0 CHADMM [O-]c1cc(Nc2ccc(CO)cc2F)c(F)cc1Cl ZINC001216273677 1134832953 /nfs/dbraw/zinc/83/29/53/1134832953.db2.gz DMGUVAKZWXLXNA-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM Cc1c(CO)ccc([N-]c2noc(C(C)(C)C)n2)c1Cl ZINC001216325556 1134855474 /nfs/dbraw/zinc/85/54/74/1134855474.db2.gz CMKFPCLGXCQTLC-UHFFFAOYSA-N -1 1 295.770 3.565 20 0 CHADMM Cc1c(CO)ccc(Nc2c([O-])cc(F)cc2F)c1Cl ZINC001216328745 1134856025 /nfs/dbraw/zinc/85/60/25/1134856025.db2.gz AYZJEVFMFHTFQZ-UHFFFAOYSA-N -1 1 299.704 3.868 20 0 CHADMM Cc1ccccc1-c1noc(-c2cc([O-])cc(F)c2)n1 ZINC001216339351 1134859982 /nfs/dbraw/zinc/85/99/82/1134859982.db2.gz FVOIULSJGCMJQR-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM [O-]c1cc(F)cc(-c2nc(-c3cccc4ccoc43)no2)c1 ZINC001216339226 1134860346 /nfs/dbraw/zinc/86/03/46/1134860346.db2.gz FDNCJBGMSIUDSK-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM CC(C)(O)c1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001216494907 1134908279 /nfs/dbraw/zinc/90/82/79/1134908279.db2.gz MKXKEUOHMAIIAP-UHFFFAOYSA-N -1 1 297.276 3.781 20 0 CHADMM CC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1F ZINC001216501793 1134911590 /nfs/dbraw/zinc/91/15/90/1134911590.db2.gz DDRYFNLRPMVQLW-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM [O-]c1cc(F)c(F)c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001216924445 1134953532 /nfs/dbraw/zinc/95/35/32/1134953532.db2.gz LALZVQSXMLBQSC-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM Cc1ccc(-c2noc(-c3c(F)ccc([O-])c3F)n2)cc1 ZINC001216922789 1134953575 /nfs/dbraw/zinc/95/35/75/1134953575.db2.gz RKEAPBGNGAKOSJ-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM COC(=O)[C@H](C)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001222086772 1135191315 /nfs/dbraw/zinc/19/13/15/1135191315.db2.gz PEIUYQSJVZRPPP-SECBINFHSA-N -1 1 292.281 3.614 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001225616314 1135595670 /nfs/dbraw/zinc/59/56/70/1135595670.db2.gz IEXTVAUDRVSISM-YABSGUDNSA-N -1 1 262.349 3.798 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001225673925 1135606905 /nfs/dbraw/zinc/60/69/05/1135606905.db2.gz BSQRQOBNMHHMLT-PKFCDNJMSA-N -1 1 278.348 3.504 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001225673885 1135607289 /nfs/dbraw/zinc/60/72/89/1135607289.db2.gz ALNBOWVZJSLIJV-ORMTXKICSA-N -1 1 278.348 3.504 20 0 CHADMM CCC[C@@H](CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484313 1135703234 /nfs/dbraw/zinc/70/32/34/1135703234.db2.gz CSIHDAAMXIJRND-GFCCVEGCSA-N -1 1 276.332 3.765 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCCC[C@H]3C)c12 ZINC001226484309 1135703250 /nfs/dbraw/zinc/70/32/50/1135703250.db2.gz CRJDXNPODBECKC-ZWNOBZJWSA-N -1 1 288.343 3.765 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CC[C@H](C)CC3)c12 ZINC001226484823 1135703613 /nfs/dbraw/zinc/70/36/13/1135703613.db2.gz HQWRMVYZDJXSIJ-MJHDQNEOSA-N -1 1 288.343 3.765 20 0 CHADMM Cc1ccc([C@H](Oc2cnc[n-]c2=O)c2ccccc2)cc1 ZINC001227049424 1135779020 /nfs/dbraw/zinc/77/90/20/1135779020.db2.gz UHDDXPNYABRVPA-QGZVFWFLSA-N -1 1 292.338 3.659 20 0 CHADMM Cc1nc(=O)[n-]c(O[C@H]2CCCc3ccccc32)c1Cl ZINC001227111521 1135786938 /nfs/dbraw/zinc/78/69/38/1135786938.db2.gz MSDKEDWGXOCYFK-LBPRGKRZSA-N -1 1 290.750 3.600 20 0 CHADMM Cc1nc(=O)[n-]c(O[C@H](C)c2cccc(Cl)c2)c1Cl ZINC001227111560 1135787011 /nfs/dbraw/zinc/78/70/11/1135787011.db2.gz NOIPFVYOTNBJFO-MRVPVSSYSA-N -1 1 299.157 3.937 20 0 CHADMM CCCCC[C@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227169703 1135793816 /nfs/dbraw/zinc/79/38/16/1135793816.db2.gz YDFAUPXKHHETCS-LBPRGKRZSA-N -1 1 280.364 3.569 20 0 CHADMM COCC(=O)c1ccc([O-])cc1O[C@H](CC(C)C)C(C)C ZINC001227169007 1135794145 /nfs/dbraw/zinc/79/41/45/1135794145.db2.gz OEQWVOWLUCXVSH-MRXNPFEDSA-N -1 1 294.391 3.671 20 0 CHADMM CC[C@@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1C ZINC001227384410 1135828888 /nfs/dbraw/zinc/82/88/88/1135828888.db2.gz YXJPELZMZJVXFI-GFCCVEGCSA-N -1 1 296.342 3.882 20 0 CHADMM CCC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509171791 541310343 /nfs/dbraw/zinc/31/03/43/541310343.db2.gz WOSOKFFQGORAMH-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ncccc2O)C2CC2)o1 ZINC000574365789 335013703 /nfs/dbraw/zinc/01/37/03/335013703.db2.gz FVYMPLCPPHFUQQ-IUODEOHRSA-N -1 1 298.386 3.668 20 0 CHADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000021905883 171336816 /nfs/dbraw/zinc/33/68/16/171336816.db2.gz FUIMVZUFWOLHSW-NSHDSACASA-N -1 1 289.762 3.579 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CCCC[C@H]2C1 ZINC000035175103 172028549 /nfs/dbraw/zinc/02/85/49/172028549.db2.gz FANHIELVCOBUGC-RYUDHWBXSA-N -1 1 293.794 3.698 20 0 CHADMM O=C([O-])C[C@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426770803 260304035 /nfs/dbraw/zinc/30/40/35/260304035.db2.gz WCIUUUQDVQCIIJ-LBPRGKRZSA-N -1 1 295.791 3.707 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccccc1 ZINC000093910249 265199795 /nfs/dbraw/zinc/19/97/95/265199795.db2.gz XGKVIFGZLJFCHR-HNNXBMFYSA-N -1 1 285.318 3.509 20 0 CHADMM O=C(Cc1c(F)cccc1Cl)Nc1ccc(F)cc1[O-] ZINC000531755941 328030515 /nfs/dbraw/zinc/03/05/15/328030515.db2.gz SXQMQTGNWNAUAX-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM O=C(C/C=C/c1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000534711642 328359105 /nfs/dbraw/zinc/35/91/05/328359105.db2.gz ZYUJXUBCTLMHGX-HWKANZROSA-N -1 1 289.281 3.712 20 0 CHADMM O=C(CCCC1CCCC1)Nc1ccc(F)cc1[O-] ZINC000532012751 328391312 /nfs/dbraw/zinc/39/13/12/328391312.db2.gz BEQCCQHULDBNPZ-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012891 328391347 /nfs/dbraw/zinc/39/13/47/328391347.db2.gz QHRVXSDMAHHOFY-LBPRGKRZSA-N -1 1 287.334 3.972 20 0 CHADMM CC(C)(C)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000050348903 328398089 /nfs/dbraw/zinc/39/80/89/328398089.db2.gz LMCSDBSNJZROAN-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM CCCC[C@@H](CCC)Sc1ncc(C)c(=O)[n-]1 ZINC000564470224 327195807 /nfs/dbraw/zinc/19/58/07/327195807.db2.gz FUSTZJSZPTUWCL-LLVKDONJSA-N -1 1 254.399 3.942 20 0 CHADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531010510 327214483 /nfs/dbraw/zinc/21/44/83/327214483.db2.gz YJIQPBWQJQJYJN-NWDGAFQWSA-N -1 1 295.404 3.536 20 0 CHADMM CCc1nc(SCc2cc(F)ccc2C)[n-]c(=O)c1C ZINC000579495776 327379942 /nfs/dbraw/zinc/37/99/42/327379942.db2.gz MFAGWNRADITMTJ-UHFFFAOYSA-N -1 1 292.379 3.793 20 0 CHADMM CCc1nc(S[C@H]2CCC[C@H](C)C2)[n-]c(=O)c1C ZINC000572975775 327538881 /nfs/dbraw/zinc/53/88/81/327538881.db2.gz BSJHOWVVPZAUHM-ONGXEEELSA-N -1 1 266.410 3.724 20 0 CHADMM O=C(CCc1cc(Cl)cs1)Nc1ccc(F)cc1[O-] ZINC000532267541 328712383 /nfs/dbraw/zinc/71/23/83/328712383.db2.gz XMFRCUNATCJBEO-UHFFFAOYSA-N -1 1 299.754 3.818 20 0 CHADMM O=C(Nc1scnc1-c1ccccc1)c1ccccc1[O-] ZINC000102725921 328713840 /nfs/dbraw/zinc/71/38/40/328713840.db2.gz RDYDZZMQFGJNPN-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM C[C@H](C1CCC1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000325287558 328823604 /nfs/dbraw/zinc/82/36/04/328823604.db2.gz RAQFJERSJVWKAQ-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM CC(C)[N@@H+](Cc1cc(O)ccc1Br)C1CC1 ZINC000179485373 329209025 /nfs/dbraw/zinc/20/90/25/329209025.db2.gz SVQVNEZCHVVCKK-UHFFFAOYSA-N -1 1 284.197 3.528 20 0 CHADMM CCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000182872646 329245838 /nfs/dbraw/zinc/24/58/38/329245838.db2.gz UPHNYGOLEGTVAP-UHFFFAOYSA-N -1 1 253.729 3.564 20 0 CHADMM O=C([O-])c1ccc(CN2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000263393864 330053920 /nfs/dbraw/zinc/05/39/20/330053920.db2.gz GAUKNGIXXXYJTG-INIZCTEOSA-N -1 1 297.354 3.705 20 0 CHADMM O=C([O-])c1ccc(CNCc2cc(C3CC3)ccc2F)cc1 ZINC000263425789 330055284 /nfs/dbraw/zinc/05/52/84/330055284.db2.gz QMFRGMQUUHPSNW-UHFFFAOYSA-N -1 1 299.345 3.691 20 0 CHADMM C/C=C(/C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000445426729 330214629 /nfs/dbraw/zinc/21/46/29/330214629.db2.gz LGUWWMKGOAKFHX-YWEYNIOJSA-N -1 1 294.738 3.918 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000044352588 330329376 /nfs/dbraw/zinc/32/93/76/330329376.db2.gz VSIOEIUXMGXEKN-CQSZACIVSA-N -1 1 293.794 3.840 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](F)C3)n2)cc1F ZINC000424352409 330345626 /nfs/dbraw/zinc/34/56/26/330345626.db2.gz DUDIFOUEQUQZPE-NXEZZACHSA-N -1 1 280.274 3.577 20 0 CHADMM Cc1occc1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000055460662 330365846 /nfs/dbraw/zinc/36/58/46/330365846.db2.gz ZIERQCSIVKVMRZ-UHFFFAOYSA-N -1 1 295.338 3.719 20 0 CHADMM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc([O-])cc1F ZINC000436683525 330682712 /nfs/dbraw/zinc/68/27/12/330682712.db2.gz UQKWKEGOISYMBQ-LLVKDONJSA-N -1 1 279.355 3.572 20 0 CHADMM CCCOc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436758693 330684383 /nfs/dbraw/zinc/68/43/83/330684383.db2.gz ZYUDEBSUBVJTNE-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM CC(C)C1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436825563 330686166 /nfs/dbraw/zinc/68/61/66/330686166.db2.gz DHBNEUVUYAMVMG-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM Cc1nc(NC(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000436891571 330687924 /nfs/dbraw/zinc/68/79/24/330687924.db2.gz GWAAMESSDOFJAW-UHFFFAOYSA-N -1 1 276.361 3.533 20 0 CHADMM [O-]c1ccc(-c2noc(C3(F)CCCCC3)n2)cc1F ZINC000436954240 330689639 /nfs/dbraw/zinc/68/96/39/330689639.db2.gz FPJQXPALDSNNBK-UHFFFAOYSA-N -1 1 280.274 3.710 20 0 CHADMM CC(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000444521630 330813693 /nfs/dbraw/zinc/81/36/93/330813693.db2.gz SZXBWAYWQCTJIW-LLVKDONJSA-N -1 1 281.783 3.554 20 0 CHADMM C[C@H](c1ccsc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445474274 330829484 /nfs/dbraw/zinc/82/94/84/330829484.db2.gz PVZNPIMZYWRHMP-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM CC(C)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449803228 330950802 /nfs/dbraw/zinc/95/08/02/330950802.db2.gz NJILQUZMFGNHJX-UHFFFAOYSA-N -1 1 287.363 3.547 20 0 CHADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)CC=CCC1 ZINC000453185141 331098552 /nfs/dbraw/zinc/09/85/52/331098552.db2.gz XLYYOCRUNGFBBH-HNNXBMFYSA-N -1 1 274.295 3.579 20 0 CHADMM CCC[C@@](C)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781920 331203581 /nfs/dbraw/zinc/20/35/81/331203581.db2.gz KCICZXMIUANETH-CQSZACIVSA-N -1 1 271.307 3.825 20 0 CHADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456785584 331203898 /nfs/dbraw/zinc/20/38/98/331203898.db2.gz NNOIDGCRNOMMPM-UWVGGRQHSA-N -1 1 283.318 3.825 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCCC2 ZINC000457155255 331213213 /nfs/dbraw/zinc/21/32/13/331213213.db2.gz AXJQISSNYQSTNR-HNNXBMFYSA-N -1 1 291.366 3.572 20 0 CHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167037815 331307811 /nfs/dbraw/zinc/30/78/11/331307811.db2.gz WNZXWGVECYJPPM-LBPRGKRZSA-N -1 1 299.773 3.698 20 0 CHADMM Cc1ccccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000470453021 331482779 /nfs/dbraw/zinc/48/27/79/331482779.db2.gz KIHLCYGEUPPLTF-UHFFFAOYSA-N -1 1 272.373 3.660 20 0 CHADMM CC[N@@H+](Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000513391875 333017001 /nfs/dbraw/zinc/01/70/01/333017001.db2.gz GWXYULBKQCZAFD-UHFFFAOYSA-N -1 1 253.773 3.668 20 0 CHADMM Cc1oc(CN2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000516976029 333088558 /nfs/dbraw/zinc/08/85/58/333088558.db2.gz ROGMTOJQKUHPDY-ZDUSSCGKSA-N -1 1 291.372 3.685 20 0 CHADMM Cc1oc(CN2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000516976028 333088585 /nfs/dbraw/zinc/08/85/85/333088585.db2.gz ROGMTOJQKUHPDY-CYBMUJFWSA-N -1 1 291.372 3.685 20 0 CHADMM C[C@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000088707578 333091405 /nfs/dbraw/zinc/09/14/05/333091405.db2.gz JODIDROUEKJEHL-STQMWFEESA-N -1 1 283.371 3.806 20 0 CHADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184678760 333131261 /nfs/dbraw/zinc/13/12/61/333131261.db2.gz SKDQFGOJFRBWIL-NXEZZACHSA-N -1 1 267.756 3.810 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1Cl ZINC000228832900 333297696 /nfs/dbraw/zinc/29/76/96/333297696.db2.gz ILKPGRGAOBZHFF-SECBINFHSA-N -1 1 293.725 3.676 20 0 CHADMM [O-]c1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)c(F)c1 ZINC000230228915 333316127 /nfs/dbraw/zinc/31/61/27/333316127.db2.gz GEVYNJKLJJCHJE-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CCc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000032532033 333431590 /nfs/dbraw/zinc/43/15/90/333431590.db2.gz XLSLJWDFGODLPT-UHFFFAOYSA-N -1 1 295.429 3.728 20 0 CHADMM CC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000037022211 333463629 /nfs/dbraw/zinc/46/36/29/333463629.db2.gz AQGUDPMDVXAXHJ-CQSZACIVSA-N -1 1 283.371 3.950 20 0 CHADMM COc1cc(F)ccc1NCc1cccc([O-])c1Cl ZINC000328497634 333533547 /nfs/dbraw/zinc/53/35/47/333533547.db2.gz VNGDNUQJVBBUNW-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CC[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000037915246 333542543 /nfs/dbraw/zinc/54/25/43/333542543.db2.gz APKNUTFJVQYLRB-ZDUSSCGKSA-N -1 1 269.344 3.560 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000132859932 334008216 /nfs/dbraw/zinc/00/82/16/334008216.db2.gz CPYTZNFAGZVWPY-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cccc(C)c1 ZINC000132869635 334008474 /nfs/dbraw/zinc/00/84/74/334008474.db2.gz NAHJSIJLYOXXCP-UHFFFAOYSA-N -1 1 273.307 3.506 20 0 CHADMM CC(C)C(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000551305905 334245989 /nfs/dbraw/zinc/24/59/89/334245989.db2.gz VUXDHLTYEVLXKY-UHFFFAOYSA-N -1 1 271.360 3.710 20 0 CHADMM CC1=C(C)CN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000382981259 336100685 /nfs/dbraw/zinc/10/06/85/336100685.db2.gz UQURJSHSUJRPOA-UHFFFAOYSA-N -1 1 281.355 3.728 20 0 CHADMM C[C@H]1CCCC[C@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000385051643 336136503 /nfs/dbraw/zinc/13/65/03/336136503.db2.gz SSFUUVUZFXYXEB-GXSJLCMTSA-N -1 1 276.311 3.875 20 0 CHADMM CCCN(Cc1cccc([O-])c1Cl)CC(F)F ZINC000387206752 336188053 /nfs/dbraw/zinc/18/80/53/336188053.db2.gz CZWROZORCACXQR-UHFFFAOYSA-N -1 1 263.715 3.523 20 0 CHADMM [O-]c1c(-c2nc(-c3cncs3)no2)ccc2ccccc21 ZINC000148108225 518203572 /nfs/dbraw/zinc/20/35/72/518203572.db2.gz OYUBJEDHJXLGOR-UHFFFAOYSA-N -1 1 295.323 3.719 20 0 CHADMM CC(C)(C)c1ccc(CNCc2cc(C(=O)[O-])co2)s1 ZINC000276925709 519032906 /nfs/dbraw/zinc/03/29/06/519032906.db2.gz AUNFQUIJZHKRHR-UHFFFAOYSA-N -1 1 293.388 3.627 20 0 CHADMM CC(C)(NCc1cccc([O-])c1Cl)c1nccs1 ZINC000293507606 519324949 /nfs/dbraw/zinc/32/49/49/519324949.db2.gz HURBDLZUVRNNBU-UHFFFAOYSA-N -1 1 282.796 3.527 20 0 CHADMM CCOc1cc(C(=O)NCCC=C(C)C)cc(Cl)c1[O-] ZINC000276614379 520663887 /nfs/dbraw/zinc/66/38/87/520663887.db2.gz JMPCSPOTVDQSJG-UHFFFAOYSA-N -1 1 297.782 3.530 20 0 CHADMM CCC(C)(C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000069455962 521296541 /nfs/dbraw/zinc/29/65/41/521296541.db2.gz PVUNIELMRRPYKE-UHFFFAOYSA-N -1 1 271.360 3.806 20 0 CHADMM COCC[C@H](NCc1cccc([O-])c1Cl)c1ccco1 ZINC000293235564 521975180 /nfs/dbraw/zinc/97/51/80/521975180.db2.gz KZJWCFIDGNCISU-LBPRGKRZSA-N -1 1 295.766 3.506 20 0 CHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000277166257 524590880 /nfs/dbraw/zinc/59/08/80/524590880.db2.gz DMUQSPUIBDPAHV-OAHLLOKOSA-N -1 1 289.400 3.589 20 0 CHADMM C[C@H]1c2ccsc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000042771568 525132491 /nfs/dbraw/zinc/13/24/91/525132491.db2.gz IEIGWEHYZAVSKX-NSHDSACASA-N -1 1 287.384 3.566 20 0 CHADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000055482041 526256225 /nfs/dbraw/zinc/25/62/25/526256225.db2.gz WLDOLGJRGSKTAW-GWCFXTLKSA-N -1 1 281.783 3.696 20 0 CHADMM [O-]c1ccc(-c2noc(COC3CCCC3)n2)c(Cl)c1 ZINC000278173174 526337939 /nfs/dbraw/zinc/33/79/39/526337939.db2.gz NQCVWFBNUIHHEB-UHFFFAOYSA-N -1 1 294.738 3.555 20 0 CHADMM O=C(CCCc1cccs1)Nc1ccc(F)cc1[O-] ZINC000340332396 526462642 /nfs/dbraw/zinc/46/26/42/526462642.db2.gz UKZGIHZIAVVPFV-UHFFFAOYSA-N -1 1 279.336 3.554 20 0 CHADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000292242419 526672666 /nfs/dbraw/zinc/67/26/66/526672666.db2.gz SYYNOPBZVZNRRZ-UHFFFAOYSA-N -1 1 294.738 3.718 20 0 CHADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000189049935 527109154 /nfs/dbraw/zinc/10/91/54/527109154.db2.gz MFXSDKKAKPTRGW-SNVBAGLBSA-N -1 1 265.740 3.731 20 0 CHADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC000299744341 527628961 /nfs/dbraw/zinc/62/89/61/527628961.db2.gz OHACPQISVVAAJH-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])CC[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417604427 599982285 /nfs/dbraw/zinc/98/22/85/599982285.db2.gz UPWFSJVCORVURH-CYBMUJFWSA-N -1 1 293.750 3.629 20 0 CHADMM C[C@H]1c2c(F)cccc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736834628 600440823 /nfs/dbraw/zinc/44/08/23/600440823.db2.gz BJZYNRGZXVRLMU-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM CCCC[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC000132433401 600936158 /nfs/dbraw/zinc/93/61/58/600936158.db2.gz RQUQHRILSKEZLY-GFCCVEGCSA-N -1 1 278.377 3.607 20 0 CHADMM C[C@H]1c2ccccc2CN1[C@@H](C(=O)[O-])c1ccccc1F ZINC000828526841 601116811 /nfs/dbraw/zinc/11/68/11/601116811.db2.gz DZZZSRCSUJAWKX-MEDUHNTESA-N -1 1 285.318 3.528 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1cccs1 ZINC000568060449 601413014 /nfs/dbraw/zinc/41/30/14/601413014.db2.gz DCFYWZVIPFXFPB-SNVBAGLBSA-N -1 1 293.388 3.795 20 0 CHADMM C[C@H](c1ccccc1Cl)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833548530 604533027 /nfs/dbraw/zinc/53/30/27/604533027.db2.gz DOJVCZDWKZNSKZ-SNVBAGLBSA-N -1 1 292.766 3.559 20 0 CHADMM CN(CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)s1 ZINC000833691774 604540877 /nfs/dbraw/zinc/54/08/77/604540877.db2.gz ADFXVCFJFHZGTA-UHFFFAOYSA-N -1 1 295.791 3.585 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164692401 949415728 /nfs/dbraw/zinc/41/57/28/949415728.db2.gz YDSXIDOVDKYVQK-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])c1cccc(CNCc2cc3cc(F)ccc3o2)c1 ZINC000683176148 954603156 /nfs/dbraw/zinc/60/31/56/954603156.db2.gz IKJIVDMFSPGBAN-UHFFFAOYSA-N -1 1 299.301 3.560 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1cccc(F)c1F ZINC001589131599 956199558 /nfs/dbraw/zinc/19/95/58/956199558.db2.gz VQNXSYFHMCPREA-MRVPVSSYSA-N -1 1 297.326 3.575 20 0 CHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162542615 959217098 /nfs/dbraw/zinc/21/70/98/959217098.db2.gz VZAMDNFNEWEXOB-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC000211418274 959684694 /nfs/dbraw/zinc/68/46/94/959684694.db2.gz 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974627626 /nfs/dbraw/zinc/62/76/26/974627626.db2.gz YMFCDTVAOJOPRP-LLVKDONJSA-N -1 1 291.322 3.618 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN(Cc1ccco1)C(C)C ZINC000574047491 974775896 /nfs/dbraw/zinc/77/58/96/974775896.db2.gz ZNTSPDCXCMNIMM-UHFFFAOYSA-N -1 1 293.388 3.758 20 0 CHADMM Cc1ccc(CN(Cc2occc2C(=O)[O-])C2CC2)cc1C ZINC000578199691 974850657 /nfs/dbraw/zinc/85/06/57/974850657.db2.gz SCWRGTLWELXAHM-UHFFFAOYSA-N -1 1 299.370 3.759 20 0 CHADMM O=C([O-])[C@@H](c1ccsc1)N1CCC[C@@H]1c1cccs1 ZINC000578756248 974861272 /nfs/dbraw/zinc/86/12/72/974861272.db2.gz KDVFXFCNGBINQL-DGCLKSJQSA-N -1 1 293.413 3.772 20 0 CHADMM O=C([O-])c1coc(CNCc2cccc(C3CCCC3)c2)c1 ZINC000656564571 975663791 /nfs/dbraw/zinc/66/37/91/975663791.db2.gz RKQITQGDOMAPLC-UHFFFAOYSA-N -1 1 299.370 3.925 20 0 CHADMM CC[C@H](NCc1occc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001595304956 980441867 /nfs/dbraw/zinc/44/18/67/980441867.db2.gz CCQCEHBJOHLNIW-AWEZNQCLSA-N -1 1 291.322 3.666 20 0 CHADMM CC[C@@H](NCc1occc1C(=O)[O-])c1ccc(C)cc1 ZINC001595305165 980442678 /nfs/dbraw/zinc/44/26/78/980442678.db2.gz DAAJSRBYEKSWKJ-CQSZACIVSA-N -1 1 273.332 3.527 20 0 CHADMM CCCCC[C@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901723577 980465328 /nfs/dbraw/zinc/46/53/28/980465328.db2.gz YSMBSJZCZYZBRB-YPMHNXCESA-N -1 1 290.363 3.512 20 0 CHADMM CCCCC[C@@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901723576 980465444 /nfs/dbraw/zinc/46/54/44/980465444.db2.gz YSMBSJZCZYZBRB-WCQYABFASA-N -1 1 290.363 3.512 20 0 CHADMM Cc1cc(CNCc2c(C)cc(C)cc2C)oc1C(=O)[O-] ZINC000901942640 980642742 /nfs/dbraw/zinc/64/27/42/980642742.db2.gz LLPNROINZPQLAN-UHFFFAOYSA-N -1 1 287.359 3.501 20 0 CHADMM CCN(c1ccc(NC2CC(CC(=O)[O-])C2)cc1)C(C)C ZINC001596385519 983911833 /nfs/dbraw/zinc/91/18/33/983911833.db2.gz GFZHJLANFXCGIY-UHFFFAOYSA-N -1 1 290.407 3.587 20 0 CHADMM CC1(C)CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000149996987 1119347309 /nfs/dbraw/zinc/34/73/09/1119347309.db2.gz NQNVJNFCUHOJOA-NSHDSACASA-N -1 1 281.783 3.744 20 0 CHADMM C[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001594536646 986155035 /nfs/dbraw/zinc/15/50/35/986155035.db2.gz FFRHCKHSZHQHTA-QKCOKIONSA-N -1 1 297.354 3.570 20 0 CHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001599841371 988839944 /nfs/dbraw/zinc/83/99/44/988839944.db2.gz BOSRBVCMIQFHHA-SNVBAGLBSA-N -1 1 291.297 3.514 20 0 CHADMM CCCC[C@H](CCC)NC(=O)c1c([O-])cccc1F ZINC000226038156 1120246614 /nfs/dbraw/zinc/24/66/14/1120246614.db2.gz LZXUINKXDYIXCH-NSHDSACASA-N -1 1 267.344 3.620 20 0 CHADMM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598534545 992834712 /nfs/dbraw/zinc/83/47/12/992834712.db2.gz ZGWRSTAMWMMFKA-UHFFFAOYSA-N -1 1 295.791 3.732 20 0 CHADMM CC(C)Cn1cnc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486439 1120270583 /nfs/dbraw/zinc/27/05/83/1120270583.db2.gz HYRHEWYSHFROBY-UHFFFAOYSA-N -1 1 283.734 3.781 20 0 CHADMM C[C@H](N[C@@H]1CCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593220662 994314744 /nfs/dbraw/zinc/31/47/44/994314744.db2.gz VBCJEHXKNLEPJZ-XHDPSFHLSA-N -1 1 285.343 3.706 20 0 CHADMM COc1cc(Nc2ccnc(Cl)c2[O-])ccc1Cl ZINC001175773576 1121461418 /nfs/dbraw/zinc/46/14/18/1121461418.db2.gz ZRGUCSOWAFWIQW-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM CC(C)CC[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000069234782 1121876493 /nfs/dbraw/zinc/87/64/93/1121876493.db2.gz DXTSNPBFXRGDCH-SNVBAGLBSA-N -1 1 269.772 3.600 20 0 CHADMM CCCCCCNC(=S)Nc1cccc([O-])c1Cl ZINC001200953867 1123068336 /nfs/dbraw/zinc/06/83/36/1123068336.db2.gz DPCQIBUYJZVAJC-UHFFFAOYSA-N -1 1 286.828 3.912 20 0 CHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000794853986 1123999997 /nfs/dbraw/zinc/99/99/97/1123999997.db2.gz SUDNMPMXJBGYBE-QWRGUYRKSA-N -1 1 269.772 3.537 20 0 CHADMM CC[C@H](CC(C)C)C(=O)Nc1c([O-])cccc1F ZINC000665783956 1124009874 /nfs/dbraw/zinc/00/98/74/1124009874.db2.gz KRDDYYZLKGEAGM-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM CC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001173901576 1132606364 /nfs/dbraw/zinc/60/63/64/1132606364.db2.gz YDZKUSGQEQGSBW-UHFFFAOYSA-N -1 1 261.708 3.992 20 0 CHADMM CCc1ncsc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486507 1134543819 /nfs/dbraw/zinc/54/38/19/1134543819.db2.gz KUPACHJXOVYWAS-UHFFFAOYSA-N -1 1 272.732 3.947 20 0 CHADMM [O-]c1c(F)cc(Nc2c(O)cccc2F)cc1Cl ZINC001214488302 1134543920 /nfs/dbraw/zinc/54/39/20/1134543920.db2.gz AZWKXKQEIXQLHG-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cc(Cl)c1O ZINC001216086561 1134772332 /nfs/dbraw/zinc/77/23/32/1134772332.db2.gz BTPLCWAIIOQBOS-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM CCO[C@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227646371 1135852040 /nfs/dbraw/zinc/85/20/40/1135852040.db2.gz QZWNAMFTSZQFIO-SSDOTTSWSA-N -1 1 265.136 3.503 20 0 CHADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@@H]2CCC(C)C)s[n-]1 ZINC000509678956 1125574254 /nfs/dbraw/zinc/57/42/54/1125574254.db2.gz GQXOEAXKNJNALP-UPJWGTAASA-N -1 1 297.468 3.684 20 0 CHADMM CC(C)CCC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000110325111 1125627630 /nfs/dbraw/zinc/62/76/30/1125627630.db2.gz QUEHMXSEXSCCBM-NSHDSACASA-N -1 1 283.799 3.990 20 0 CHADMM FC(F)Oc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001212054388 1125671548 /nfs/dbraw/zinc/67/15/48/1125671548.db2.gz UWKJKLDSBXKJFL-UHFFFAOYSA-N -1 1 293.229 3.675 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)c(F)c1 ZINC000067738985 1125717755 /nfs/dbraw/zinc/71/77/55/1125717755.db2.gz ZBTALQLSWAJHLA-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CC(=O)Oc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001212078061 1125724353 /nfs/dbraw/zinc/72/43/53/1125724353.db2.gz JRPNNKFVZWZLRZ-UHFFFAOYSA-N -1 1 295.697 3.854 20 0 CHADMM CSc1ccc([O-])c(C(=O)N2CCc3ccc(C)cc32)c1 ZINC001142465519 1125741535 /nfs/dbraw/zinc/74/15/35/1125741535.db2.gz LJUFBAKBTIZBAE-UHFFFAOYSA-N -1 1 299.395 3.625 20 0 CHADMM CCCCCC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000767291457 1129784996 /nfs/dbraw/zinc/78/49/96/1129784996.db2.gz DJULJTTYAYZCMN-LLVKDONJSA-N -1 1 267.344 3.620 20 0 CHADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000176525040 1126791769 /nfs/dbraw/zinc/79/17/69/1126791769.db2.gz WFYFJEUBUSDMCW-SWLSCSKDSA-N -1 1 299.345 3.550 20 0 CHADMM C[C@H]1CC(C(=O)Nc2c([O-])cccc2F)C[C@H](C)C1 ZINC000679560869 1130539016 /nfs/dbraw/zinc/53/90/16/1130539016.db2.gz ROFUVDICAIOPEW-NXEZZACHSA-N -1 1 265.328 3.542 20 0 CHADMM [O-]c1ccc(Cc2nc(-c3ccsc3)no2)cc1Cl ZINC000904298078 1126843604 /nfs/dbraw/zinc/84/36/04/1126843604.db2.gz PFXUKBWCIRHOKT-UHFFFAOYSA-N -1 1 292.747 3.748 20 0 CHADMM COc1cnc(C=Cc2ccc(C(C)(C)C)s2)[n-]c1=O ZINC000905077400 1126888150 /nfs/dbraw/zinc/88/81/50/1126888150.db2.gz VOLWJMAHXFMROA-VURMDHGXSA-N -1 1 290.388 3.720 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC=CCCC1 ZINC000907139654 1126973506 /nfs/dbraw/zinc/97/35/06/1126973506.db2.gz LGLRTUKVNWXEIY-NSHDSACASA-N -1 1 263.312 3.606 20 0 CHADMM CC(C)=C(C)CC(=O)Nc1cccc([O-])c1Br ZINC000908707514 1127012622 /nfs/dbraw/zinc/01/26/22/1127012622.db2.gz JYGCDUMBGQEVDP-UHFFFAOYSA-N -1 1 298.180 3.840 20 0 CHADMM O=C(Nc1cccc([O-])c1Br)C1CCCCC1 ZINC000908716631 1127013905 /nfs/dbraw/zinc/01/39/05/1127013905.db2.gz JUHISRCPWCKTOW-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM C/C(=C\C(=O)Nc1cc([O-])c(F)cc1F)C(C)(C)C ZINC000909982337 1127042692 /nfs/dbraw/zinc/04/26/92/1127042692.db2.gz GKSDAIIWBMTSHS-VMPITWQZSA-N -1 1 269.291 3.601 20 0 CHADMM CC(C)(CC(F)(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988634 1127043840 /nfs/dbraw/zinc/04/38/40/1127043840.db2.gz UBKJTNITTVFNQW-UHFFFAOYSA-N -1 1 297.223 3.588 20 0 CHADMM CCC(CC)[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984685 1127041700 /nfs/dbraw/zinc/04/17/00/1127041700.db2.gz RQRJPYHZCLTHRT-QMMMGPOBSA-N -1 1 271.307 3.681 20 0 CHADMM CC[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909978243 1127041854 /nfs/dbraw/zinc/04/18/54/1127041854.db2.gz UADPMCJKNMPKDY-VIFPVBQESA-N -1 1 271.307 3.681 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1coc2ccc(C(C)C)cc12 ZINC000615218089 1127045648 /nfs/dbraw/zinc/04/56/48/1127045648.db2.gz KBDRMCOYLHKTDJ-UHFFFAOYSA-N -1 1 299.330 3.546 20 0 CHADMM CC(C)(CC(=O)Nc1cc(F)cc(F)c1[O-])CC(F)F ZINC000910989530 1127075671 /nfs/dbraw/zinc/07/56/71/1127075671.db2.gz ATUGOINTSOPLHE-UHFFFAOYSA-N -1 1 293.260 3.680 20 0 CHADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC001299360487 1127148253 /nfs/dbraw/zinc/14/82/53/1127148253.db2.gz IGSJYLXPACDBAP-YPMHNXCESA-N -1 1 293.794 3.602 20 0 CHADMM Cc1oc(C[N@@H+](C)CC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000572250144 1127195851 /nfs/dbraw/zinc/19/58/51/1127195851.db2.gz HUHKCNAOZSGJRS-POHAHGRESA-N -1 1 299.370 3.822 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2ccncc2Cl)c1Cl ZINC001212157683 1127221165 /nfs/dbraw/zinc/22/11/65/1127221165.db2.gz YEBQQYQJNVRUNN-UHFFFAOYSA-N -1 1 289.549 3.913 20 0 CHADMM CC(C)CC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306168 1127252380 /nfs/dbraw/zinc/25/23/80/1127252380.db2.gz YEPXBXDYEQLKLW-SNVBAGLBSA-N -1 1 269.772 3.600 20 0 CHADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289101572 1127373819 /nfs/dbraw/zinc/37/38/19/1127373819.db2.gz CCFXERBMLDZCLW-WDEREUQCSA-N -1 1 297.345 3.615 20 0 CHADMM CSCC1(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000593541449 1127389217 /nfs/dbraw/zinc/38/92/17/1127389217.db2.gz LSQBAZYWYMWGEL-UHFFFAOYSA-N -1 1 285.796 3.517 20 0 CHADMM Cc1cccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC001137763696 1131414018 /nfs/dbraw/zinc/41/40/18/1131414018.db2.gz BNQPXAZNUOJKNO-NSHDSACASA-N -1 1 289.762 3.845 20 0 CHADMM [O-]c1cccc(CN2CC=C(C(F)(F)F)CC2)c1Cl ZINC000295372404 1127638488 /nfs/dbraw/zinc/63/84/88/1127638488.db2.gz OLWSAEVJWMSZQA-UHFFFAOYSA-N -1 1 291.700 3.740 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCCC2 ZINC000605440207 1127736964 /nfs/dbraw/zinc/73/69/64/1127736964.db2.gz MQSGISZQDGOJOG-UHFFFAOYSA-N -1 1 285.318 3.662 20 0 CHADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1c([O-])cccc1F ZINC000608366106 1127862394 /nfs/dbraw/zinc/86/23/94/1127862394.db2.gz NKPQNYHQMGNION-WDEREUQCSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1F ZINC000608366267 1127862892 /nfs/dbraw/zinc/86/28/92/1127862892.db2.gz HIEPZDWTYVYNDS-SNVBAGLBSA-N -1 1 291.297 3.803 20 0 CHADMM Cc1cccc([C@@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000608365175 1127862899 /nfs/dbraw/zinc/86/28/99/1127862899.db2.gz AKGUGTUEHYXCGM-LLVKDONJSA-N -1 1 273.307 3.582 20 0 CHADMM O=C(CCc1cc(Cl)cs1)Nc1c([O-])cccc1F ZINC000608367145 1127863039 /nfs/dbraw/zinc/86/30/39/1127863039.db2.gz JXGMKPHKZWNITM-UHFFFAOYSA-N -1 1 299.754 3.818 20 0 CHADMM CCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCCC1 ZINC000509712320 1127905731 /nfs/dbraw/zinc/90/57/31/1127905731.db2.gz KHGLPOQBJWPCFF-YPMHNXCESA-N -1 1 297.468 3.828 20 0 CHADMM CC(C)CC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000761602972 1128164281 /nfs/dbraw/zinc/16/42/81/1128164281.db2.gz QHRYSPXCWQIRGY-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM C/C(=C/c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000089541472 1128315955 /nfs/dbraw/zinc/31/59/55/1128315955.db2.gz WDSHDZQQZKVHNQ-KTKRTIGZSA-N -1 1 289.281 3.712 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H](F)Cc1ccccc1 ZINC000777974657 1128352375 /nfs/dbraw/zinc/35/23/75/1128352375.db2.gz DCAQRKWAJRYOAJ-CYBMUJFWSA-N -1 1 293.725 3.565 20 0 CHADMM O=C(C[C@H]1CC=CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000935021068 1128476535 /nfs/dbraw/zinc/47/65/35/1128476535.db2.gz PEOGZEHLRNPACT-JTQLQIEISA-N -1 1 265.740 3.731 20 0 CHADMM C[C@H](CSCCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000917617176 1128510731 /nfs/dbraw/zinc/51/07/31/1128510731.db2.gz PMHBEUHKUHKLGV-SECBINFHSA-N -1 1 292.322 3.897 20 0 CHADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129529299 1128543425 /nfs/dbraw/zinc/54/34/25/1128543425.db2.gz YLXFRHGKFKWAMM-YGRLFVJLSA-N -1 1 297.782 3.579 20 0 CHADMM C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ncccc1O ZINC000569036883 1128596997 /nfs/dbraw/zinc/59/69/97/1128596997.db2.gz YIISNYUGHAYLQZ-UHFFFAOYSA-N -1 1 297.185 3.726 20 0 CHADMM O=C(CSc1ccc(F)cc1F)c1ccc([O-])cc1 ZINC000035018465 1117790409 /nfs/dbraw/zinc/79/04/09/1117790409.db2.gz MYHNDUJWDXYSKW-UHFFFAOYSA-N -1 1 280.295 3.645 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-n3cccc3)cn2)cc1F ZINC001206767529 1117818030 /nfs/dbraw/zinc/81/80/30/1117818030.db2.gz CZFHLHOWZZLSHX-UHFFFAOYSA-N -1 1 272.254 3.523 20 0 CHADMM CC[C@@](C)(NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC001167197607 1118093756 /nfs/dbraw/zinc/09/37/56/1118093756.db2.gz WPSBQRLCDIMYBD-GOSISDBHSA-N -1 1 283.371 3.854 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000383857425 1118128007 /nfs/dbraw/zinc/12/80/07/1118128007.db2.gz CMZYFAFXLZHNCX-IYBDPMFKSA-N -1 1 293.366 3.584 20 0 CHADMM CN(C)c1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001209990980 1118129417 /nfs/dbraw/zinc/12/94/17/1118129417.db2.gz OAAHJMXKDUPPAY-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCC1 ZINC000683592111 1118205201 /nfs/dbraw/zinc/20/52/01/1118205201.db2.gz LXUVHGHHCULMIW-VIFPVBQESA-N -1 1 276.311 3.875 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]12C[C@@H]1CCCC2 ZINC000693135093 1118219864 /nfs/dbraw/zinc/21/98/64/1118219864.db2.gz YPPWDHFDISGHQB-XPTSAGLGSA-N -1 1 265.740 3.564 20 0 CHADMM Cc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cc1N ZINC001210289974 1118235878 /nfs/dbraw/zinc/23/58/78/1118235878.db2.gz COMRYLSUKCRWLO-UHFFFAOYSA-N -1 1 284.146 3.728 20 0 CHADMM COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1F ZINC000065343541 1118245152 /nfs/dbraw/zinc/24/51/52/1118245152.db2.gz XYINYZDTEONMEE-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC001648847518 1118253682 /nfs/dbraw/zinc/25/36/82/1118253682.db2.gz RFOSMWBLZKGLGU-LBPRGKRZSA-N -1 1 287.334 3.972 20 0 CHADMM CC(C)c1ccccc1C(=O)Nc1cccc(F)c1[O-] ZINC001648851094 1118257710 /nfs/dbraw/zinc/25/77/10/1118257710.db2.gz UUBIMMHZQDTBSC-UHFFFAOYSA-N -1 1 273.307 3.907 20 0 CHADMM COC(=O)c1c2c(sc1[N-]c1nccs1)CCCC2 ZINC001210989526 1118435409 /nfs/dbraw/zinc/43/54/09/1118435409.db2.gz LIXRSDDOFCZGDW-UHFFFAOYSA-N -1 1 294.401 3.614 20 0 CHADMM C[C@H](C1CC1)n1cc(NCc2cccc(Cl)c2[O-])cn1 ZINC000189750471 1128784569 /nfs/dbraw/zinc/78/45/69/1128784569.db2.gz NPVQVEWQJSUUBB-SNVBAGLBSA-N -1 1 291.782 3.825 20 0 CHADMM [O-]c1cc(F)cc(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC001216339314 1119002653 /nfs/dbraw/zinc/00/26/53/1119002653.db2.gz FFLDTULRFZQOCI-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000684749700 1119008885 /nfs/dbraw/zinc/00/88/85/1119008885.db2.gz CUVTWVMZOOMCNJ-LKTVYLICSA-N -1 1 285.318 3.520 20 0 CHADMM CCCCc1ccc(N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000178579549 1119086909 /nfs/dbraw/zinc/08/69/09/1119086909.db2.gz YVMBOTNEKSYUGH-UHFFFAOYSA-N -1 1 299.370 3.717 20 0 CHADMM C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232556 1128832837 /nfs/dbraw/zinc/83/28/37/1128832837.db2.gz CQQPBIVRZUUXAB-GZMMTYOYSA-N -1 1 275.735 3.793 20 0 CHADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000583873019 1119428192 /nfs/dbraw/zinc/42/81/92/1119428192.db2.gz AJELZCHAPPWPTR-APPDUMDISA-N -1 1 299.374 3.547 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([O-])c(F)c1 ZINC000075913522 1119487688 /nfs/dbraw/zinc/48/76/88/1119487688.db2.gz ZAZAYOCTQWPYSN-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM O=c1cc(C(F)F)nc(S[C@@H]2CCc3ccccc32)[n-]1 ZINC000685574896 1119634447 /nfs/dbraw/zinc/63/44/47/1119634447.db2.gz RYRJUPVKRWJFBX-LLVKDONJSA-N -1 1 294.326 3.899 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CCC2)CC1 ZINC000308729464 1119753073 /nfs/dbraw/zinc/75/30/73/1119753073.db2.gz QCQZDLRSXXFZKC-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1CC2(C1)CCCCC2 ZINC000613029363 1119852433 /nfs/dbraw/zinc/85/24/33/1119852433.db2.gz QHLRLEZCMZJVKA-UHFFFAOYSA-N -1 1 277.339 3.830 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)cccc1F ZINC000085204477 1120045329 /nfs/dbraw/zinc/04/53/29/1120045329.db2.gz QPADWKUOSSFVFN-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1CC2(C1)CCCCC2 ZINC000628960711 1128888715 /nfs/dbraw/zinc/88/87/15/1128888715.db2.gz XJEUFHKZLDIGIX-UHFFFAOYSA-N -1 1 277.339 3.830 20 0 CHADMM CCOc1cc(/C=C(\C)c2cnccn2)cc(Cl)c1[O-] ZINC000180381312 1120098427 /nfs/dbraw/zinc/09/84/27/1120098427.db2.gz NGOSQQCZULMWOA-UXBLZVDNSA-N -1 1 290.750 3.795 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1Cl ZINC000181037290 1120101385 /nfs/dbraw/zinc/10/13/85/1120101385.db2.gz FRIHXXQAKBTILX-VIFPVBQESA-N -1 1 293.725 3.676 20 0 CHADMM CCCCC[C@H]1CCCCN1Cc1nc(C(=O)[O-])cs1 ZINC000659803068 1120113055 /nfs/dbraw/zinc/11/30/55/1120113055.db2.gz AXZSWWDWVVCWEM-LBPRGKRZSA-N -1 1 296.436 3.776 20 0 CHADMM O=C1[N-]C(=S)SC1=Cc1cccc(OC(F)F)c1 ZINC000057770010 1120190892 /nfs/dbraw/zinc/19/08/92/1120190892.db2.gz VDNUWBYZTACZON-YVMONPNESA-N -1 1 287.312 3.617 20 0 CHADMM O=C(Nc1ccc(Cl)cc1F)c1ccc([O-])cc1F ZINC000181831643 1120199169 /nfs/dbraw/zinc/19/91/69/1120199169.db2.gz GXVDXKZBBHRGPR-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM [O-]c1c(F)cc(Nc2cncc(Cl)c2)cc1Cl ZINC001214479691 1120238627 /nfs/dbraw/zinc/23/86/27/1120238627.db2.gz DDMJVNBYFIWZAC-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM CCOc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccn1 ZINC001214482621 1120245050 /nfs/dbraw/zinc/24/50/50/1120245050.db2.gz FEKYICANBXCWNG-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cn1cnc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccc21 ZINC001214490336 1120320371 /nfs/dbraw/zinc/32/03/71/1120320371.db2.gz UITMDNNQJINDMV-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM CC(C)CCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000042356532 1120386429 /nfs/dbraw/zinc/38/64/29/1120386429.db2.gz YZDYGZYJPSMNNJ-UHFFFAOYSA-N -1 1 271.360 3.664 20 0 CHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000417570122 1120457925 /nfs/dbraw/zinc/45/79/25/1120457925.db2.gz MJKUNPFELCHBOQ-INIZCTEOSA-N -1 1 287.359 3.709 20 0 CHADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000019839340 1120529384 /nfs/dbraw/zinc/52/93/84/1120529384.db2.gz HIJIOOAPCNGCNY-UHFFFAOYSA-N -1 1 283.371 3.950 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1)CCCCC2 ZINC000109522714 1120785513 /nfs/dbraw/zinc/78/55/13/1120785513.db2.gz FGLJWHARWVKMFL-ZDUSSCGKSA-N -1 1 276.767 3.619 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1F ZINC000048653314 1120836518 /nfs/dbraw/zinc/83/65/18/1120836518.db2.gz FZIPKSJQKWCAQF-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669168613 1120973720 /nfs/dbraw/zinc/97/37/20/1120973720.db2.gz ODEFVBZXCNQIPR-OLZOCXBDSA-N -1 1 298.386 3.591 20 0 CHADMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC001167824849 1120997939 /nfs/dbraw/zinc/99/79/39/1120997939.db2.gz VJOQGZMDAKOIFU-INIZCTEOSA-N -1 1 299.345 3.647 20 0 CHADMM CN(C)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174880914 1121080031 /nfs/dbraw/zinc/08/00/31/1121080031.db2.gz NQKMICURXNDXIL-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM CC(C)OC(=O)c1cccc([N-]c2nnc(C(C)C)o2)c1 ZINC001174913501 1121091452 /nfs/dbraw/zinc/09/14/52/1121091452.db2.gz BPXCGHZOXWERRP-UHFFFAOYSA-N -1 1 289.335 3.502 20 0 CHADMM [O-]c1cc(Nc2ccc(F)c(F)c2F)cc(F)c1F ZINC001174971676 1121101398 /nfs/dbraw/zinc/10/13/98/1121101398.db2.gz JRFSBQDTJNBKIW-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM O=c1ccoc2ccc(Nc3cc(F)c([O-])cc3F)cc12 ZINC001174945889 1121107361 /nfs/dbraw/zinc/10/73/61/1121107361.db2.gz FRCOCTXOQNIKRL-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM Cn1cc(Nc2cc([O-])c(F)c(F)c2)c2ccccc21 ZINC001203423002 1121169678 /nfs/dbraw/zinc/16/96/78/1121169678.db2.gz VVYDBSMYRYJXDZ-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM CCOc1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001175248959 1121245346 /nfs/dbraw/zinc/24/53/46/1121245346.db2.gz WDZTYLYCRFIPNX-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CN(C)c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001175344117 1121273919 /nfs/dbraw/zinc/27/39/19/1121273919.db2.gz VEGBLSIEVIPMND-UHFFFAOYSA-N -1 1 298.173 3.904 20 0 CHADMM COc1cc(Nc2c3cn[nH]c3ccc2C)ccc1[S-] ZINC001175526983 1121368752 /nfs/dbraw/zinc/36/87/52/1121368752.db2.gz FGMALYVMKMACNC-UHFFFAOYSA-N -1 1 285.372 3.912 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(CO)cc1 ZINC001175568645 1121390309 /nfs/dbraw/zinc/39/03/09/1121390309.db2.gz QMJSSUZNCFLKRM-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM Cc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000048194282 1121455348 /nfs/dbraw/zinc/45/53/48/1121455348.db2.gz NFSFZVBZBANAJD-UHFFFAOYSA-N -1 1 297.379 3.845 20 0 CHADMM CCCc1c(C)[n-]n(-c2cccc(Cl)c2C)c1=O ZINC000614188471 1121517763 /nfs/dbraw/zinc/51/77/63/1121517763.db2.gz CTUDCBZOVMFJHC-NSHDSACASA-N -1 1 264.756 3.787 20 0 CHADMM CC[C@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773567707 1121604236 /nfs/dbraw/zinc/60/42/36/1121604236.db2.gz WNPNVELOVAFYDZ-HNNXBMFYSA-N -1 1 274.291 3.839 20 0 CHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000773567483 1121605509 /nfs/dbraw/zinc/60/55/09/1121605509.db2.gz WCLYFQCRWHWFIE-QMMMGPOBSA-N -1 1 296.244 3.728 20 0 CHADMM [O-]c1cc(Nc2cc(O)cc(Cl)c2)cc(F)c1F ZINC001176624747 1121663837 /nfs/dbraw/zinc/66/38/37/1121663837.db2.gz OHDQFKLITIHVRL-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)c(O)cc2F)c1F ZINC001176670832 1121671269 /nfs/dbraw/zinc/67/12/69/1121671269.db2.gz MUINTVFADPWYHN-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM CN(C)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670783 1121672112 /nfs/dbraw/zinc/67/21/12/1121672112.db2.gz KRIGVLBNFNPCHE-UHFFFAOYSA-N -1 1 282.265 3.619 20 0 CHADMM Cc1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)cc1O ZINC001176671302 1121672938 /nfs/dbraw/zinc/67/29/38/1121672938.db2.gz WTDGIJAMEIPSLF-UHFFFAOYSA-N -1 1 287.212 3.706 20 0 CHADMM CC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1F ZINC001176672369 1121673445 /nfs/dbraw/zinc/67/34/45/1121673445.db2.gz IBUKXZPWTYDZJL-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3ocnc32)c1F ZINC001176672143 1121673455 /nfs/dbraw/zinc/67/34/55/1121673455.db2.gz UNRQTHGRAZJNOL-UHFFFAOYSA-N -1 1 280.205 3.694 20 0 CHADMM Nc1cc(Cl)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673419 1121673592 /nfs/dbraw/zinc/67/35/92/1121673592.db2.gz GBQGSLKKZHZLKJ-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM CC(C)Oc1ncccc1[N-]c1nc(C(C)(C)C)ns1 ZINC001176730858 1121683112 /nfs/dbraw/zinc/68/31/12/1121683112.db2.gz YZGOVAJHMKPWMQ-UHFFFAOYSA-N -1 1 292.408 3.761 20 0 CHADMM CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993666 1121704912 /nfs/dbraw/zinc/70/49/12/1121704912.db2.gz IVZCDKAYLQUPPA-STQMWFEESA-N -1 1 295.810 3.878 20 0 CHADMM CC(C)CC[C@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001150742832 1121757027 /nfs/dbraw/zinc/75/70/27/1121757027.db2.gz CMDRNWNKIGSPPW-CYBMUJFWSA-N -1 1 293.382 3.962 20 0 CHADMM CC(C)c1ccc(N(C)C(=O)c2ccccc2[O-])cc1 ZINC000159039470 1122032832 /nfs/dbraw/zinc/03/28/32/1122032832.db2.gz ZLHMFFGCFMSPJX-UHFFFAOYSA-N -1 1 269.344 3.792 20 0 CHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436922675 1122158288 /nfs/dbraw/zinc/15/82/88/1122158288.db2.gz PCFZBICCUOSUSM-NSHDSACASA-N -1 1 281.783 3.696 20 0 CHADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)[C@H]1CCCCO1 ZINC000632030059 1129035366 /nfs/dbraw/zinc/03/53/66/1129035366.db2.gz QMOPRUJTQHKRHY-CYBMUJFWSA-N -1 1 297.782 3.579 20 0 CHADMM CCC[C@@H](OC)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632151915 1129040463 /nfs/dbraw/zinc/04/04/63/1129040463.db2.gz VOPNVZUVEUGEBJ-GFCCVEGCSA-N -1 1 296.754 3.507 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001185268331 1122330096 /nfs/dbraw/zinc/33/00/96/1122330096.db2.gz VMFISBZZVJIDAM-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM O=C(Nc1cccnc1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001185693372 1122355001 /nfs/dbraw/zinc/35/50/01/1122355001.db2.gz QPDBRGGEHPFQHH-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM C=Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185836057 1122361603 /nfs/dbraw/zinc/36/16/03/1122361603.db2.gz FQDWIFNBHZJIFD-UHFFFAOYSA-N -1 1 291.347 3.578 20 0 CHADMM C[C@@H](NC(=O)Nc1c([O-])cccc1F)C1CCCCC1 ZINC001186343645 1122387388 /nfs/dbraw/zinc/38/73/88/1122387388.db2.gz VLUGLCDJKQHCMG-SNVBAGLBSA-N -1 1 280.343 3.622 20 0 CHADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000620368163 1129053517 /nfs/dbraw/zinc/05/35/17/1129053517.db2.gz HAQFKHHNOFMUKC-JTQLQIEISA-N -1 1 297.345 3.617 20 0 CHADMM CCCc1cc(=O)[n-]c(SCc2ccc(F)cc2C)n1 ZINC001188163098 1122456865 /nfs/dbraw/zinc/45/68/65/1122456865.db2.gz OARCOQPCMDVHEA-UHFFFAOYSA-N -1 1 292.379 3.875 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188278286 1122461051 /nfs/dbraw/zinc/46/10/51/1122461051.db2.gz PMOWGEDCSIZVOP-UHFFFAOYSA-N -1 1 297.280 3.804 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188278286 1122461053 /nfs/dbraw/zinc/46/10/53/1122461053.db2.gz PMOWGEDCSIZVOP-UHFFFAOYSA-N -1 1 297.280 3.804 20 0 CHADMM O=C(Cc1cccc([O-])c1Cl)c1cccs1 ZINC001250307032 1122484493 /nfs/dbraw/zinc/48/44/93/1122484493.db2.gz PERCGUBRBBDVNU-UHFFFAOYSA-N -1 1 252.722 3.533 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001189050217 1122486711 /nfs/dbraw/zinc/48/67/11/1122486711.db2.gz DGLDOEQVWQSISI-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1cnc(SCCCCc2ccccc2)[n-]c1=O ZINC000515433905 1122499437 /nfs/dbraw/zinc/49/94/37/1122499437.db2.gz BZJFURDJTDFKEF-UHFFFAOYSA-N -1 1 274.389 3.606 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000436477202 1122555294 /nfs/dbraw/zinc/55/52/94/1122555294.db2.gz HQKDAHZNDXZGEB-UHFFFAOYSA-N -1 1 293.775 3.784 20 0 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/nfs/dbraw/zinc/81/81/24/1122818124.db2.gz IFCRIWSINAWPNA-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM [O-]c1cccc(CN2CCc3sccc3C2)c1Cl ZINC000507075882 1122922495 /nfs/dbraw/zinc/92/24/95/1122922495.db2.gz DOHHDPQXHBQHII-UHFFFAOYSA-N -1 1 279.792 3.665 20 0 CHADMM [O-]c1cc(Nc2ccc(C3CC3)nc2)cc(F)c1F ZINC001201716578 1123140380 /nfs/dbraw/zinc/14/03/80/1123140380.db2.gz XBDLPTUVBOQFCZ-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM CCc1c(C)[n-]n(-c2nc3ccc(Cl)cc3s2)c1=O ZINC000634595802 1129119732 /nfs/dbraw/zinc/11/97/32/1129119732.db2.gz NFDFAODLQBIIAL-SECBINFHSA-N -1 1 293.779 3.698 20 0 CHADMM CC(C)(C)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000112021607 1123477951 /nfs/dbraw/zinc/47/79/51/1123477951.db2.gz XVBWHUDFFLVGGF-NSHDSACASA-N -1 1 273.298 3.842 20 0 CHADMM O=C(Nc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000011593652 1123478857 /nfs/dbraw/zinc/47/88/57/1123478857.db2.gz NBCKLOYKDHGWMK-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM CCC(CC)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675891 1123480271 /nfs/dbraw/zinc/48/02/71/1123480271.db2.gz DKLCPYVGYGUWSI-UHFFFAOYSA-N -1 1 273.735 3.950 20 0 CHADMM C[C@@H]1CC/C(=C\C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000780991493 1123483302 /nfs/dbraw/zinc/48/33/02/1123483302.db2.gz JJBMLUGCBBAMQL-YIXGCBLDSA-N -1 1 265.740 3.731 20 0 CHADMM CCCCN(CC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895518629 1123487789 /nfs/dbraw/zinc/48/77/89/1123487789.db2.gz RRORPHLZLPXWJJ-UHFFFAOYSA-N -1 1 287.359 3.513 20 0 CHADMM O=c1nc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(Cl)[n-]1 ZINC000858328945 1123646243 /nfs/dbraw/zinc/64/62/43/1123646243.db2.gz GCTHVCJHTSLWKS-GMTAPVOTSA-N -1 1 281.787 3.606 20 0 CHADMM CCCC[C@@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858388798 1123650432 /nfs/dbraw/zinc/65/04/32/1123650432.db2.gz XTJORJGGDQRRLF-NXEZZACHSA-N -1 1 269.776 3.606 20 0 CHADMM Cc1nc(NC(=O)c2cc3ccccc3cc2[O-])sc1C ZINC000029579644 1123720379 /nfs/dbraw/zinc/72/03/79/1123720379.db2.gz CECBDPDHBZJFPV-UHFFFAOYSA-N -1 1 298.367 3.871 20 0 CHADMM CSc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000336565230 1123775730 /nfs/dbraw/zinc/77/57/30/1123775730.db2.gz YUSIXPALAHVOOE-UHFFFAOYSA-N -1 1 287.262 3.671 20 0 CHADMM CC1CCC(N(C)C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000042315506 1123783076 /nfs/dbraw/zinc/78/30/76/1123783076.db2.gz NBDJAVOAAYHTPV-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM CC[C@@]1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896965356 1123793557 /nfs/dbraw/zinc/79/35/57/1123793557.db2.gz GOSFLYLZXYTNIJ-SFHVURJKSA-N -1 1 299.370 3.513 20 0 CHADMM C[C@H](NC(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001202506351 1123793750 /nfs/dbraw/zinc/79/37/50/1123793750.db2.gz WKEBSKSOOBZWCZ-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM c1nn(C2CCC2)cc1[N-]c1nc(C2CCCC2)ns1 ZINC000897105414 1123820705 /nfs/dbraw/zinc/82/07/05/1123820705.db2.gz IQWBWPZDULCVKY-UHFFFAOYSA-N -1 1 289.408 3.861 20 0 CHADMM CCCCn1ncc([N-]c2nc(C(C)C)ns2)c1C ZINC000301972184 1123946887 /nfs/dbraw/zinc/94/68/87/1123946887.db2.gz HMKHISMYCHODLL-UHFFFAOYSA-N -1 1 279.413 3.710 20 0 CHADMM CCc1cc(=O)[n-]c(SCCCSC(C)(C)C)n1 ZINC000865363202 1123975029 /nfs/dbraw/zinc/97/50/29/1123975029.db2.gz KAJDBAYXBJDWFW-UHFFFAOYSA-N -1 1 286.466 3.759 20 0 CHADMM CCC(CC)(CC)NC(=O)c1ccc(Cl)cc1[O-] ZINC000086645793 1124083143 /nfs/dbraw/zinc/08/31/43/1124083143.db2.gz WSNYFLXRSRASTG-UHFFFAOYSA-N -1 1 269.772 3.744 20 0 CHADMM [O-]c1ccc(-c2noc(CCCc3ccccc3)n2)cc1F ZINC000445479614 1124086095 /nfs/dbraw/zinc/08/60/95/1124086095.db2.gz WMDXYUFISXMHFI-UHFFFAOYSA-N -1 1 298.317 3.757 20 0 CHADMM Cc1ccc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445463618 1124086423 /nfs/dbraw/zinc/08/64/23/1124086423.db2.gz PNACMMJXSOEXRA-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM CC(C)N(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000193213771 1124123874 /nfs/dbraw/zinc/12/38/74/1124123874.db2.gz NYMFQUSYYITSKJ-UHFFFAOYSA-N -1 1 269.344 3.558 20 0 CHADMM CC(C)NC(=O)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001202527116 1124496932 /nfs/dbraw/zinc/49/69/32/1124496932.db2.gz FMMYASWYCREIOS-UHFFFAOYSA-N -1 1 296.676 3.594 20 0 CHADMM CC(C)(C)[C@H]1CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001120766355 1131281346 /nfs/dbraw/zinc/28/13/46/1131281346.db2.gz TWVCOUDJSPMPGB-OAHLLOKOSA-N -1 1 299.370 3.512 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccn(C(C)C)c3)ccc2[n-]1 ZINC001239078273 1131300824 /nfs/dbraw/zinc/30/08/24/1131300824.db2.gz KJWHCBBQBRZCAX-UHFFFAOYSA-N -1 1 297.358 3.789 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccn(C(C)C)c3)cc2[n-]1 ZINC001239078273 1131300830 /nfs/dbraw/zinc/30/08/30/1131300830.db2.gz KJWHCBBQBRZCAX-UHFFFAOYSA-N -1 1 297.358 3.789 20 0 CHADMM Cc1ncoc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000820927563 1131313156 /nfs/dbraw/zinc/31/31/56/1131313156.db2.gz YDFRKGYXJXHIHB-UHFFFAOYSA-N -1 1 293.282 3.559 20 0 CHADMM CC(C)OCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539720 1124986621 /nfs/dbraw/zinc/98/66/21/1124986621.db2.gz SVHPHVMNHOECEW-UHFFFAOYSA-N -1 1 293.750 3.562 20 0 CHADMM Cc1ccccc1C1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000530004793 1125113712 /nfs/dbraw/zinc/11/37/12/1125113712.db2.gz GQPRMMYYYQJKLB-UHFFFAOYSA-N -1 1 299.345 3.900 20 0 CHADMM CC(C)(C)CCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000530772006 1125178870 /nfs/dbraw/zinc/17/88/70/1125178870.db2.gz SBFIJEIWPPVNQQ-UHFFFAOYSA-N -1 1 295.404 3.537 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000532267498 1125245985 /nfs/dbraw/zinc/24/59/85/1125245985.db2.gz RBWYAZMGLOPFQH-NSHDSACASA-N -1 1 273.307 3.664 20 0 CHADMM CSc1nc2ccsc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783717 1129350145 /nfs/dbraw/zinc/35/01/45/1129350145.db2.gz WNJPJWBMEALBQN-UHFFFAOYSA-N -1 1 292.360 3.925 20 0 CHADMM COc1ccc(C(F)(F)F)c(-c2ccc([O-])c(F)c2)n1 ZINC001240781975 1129351210 /nfs/dbraw/zinc/35/12/10/1129351210.db2.gz NIBQOHSCOOSKRA-UHFFFAOYSA-N -1 1 287.212 3.621 20 0 CHADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(F)c1F ZINC001241121727 1129459218 /nfs/dbraw/zinc/45/92/18/1129459218.db2.gz DIBCYSFDILINNN-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM COc1ccc(F)cc1NCc1cccc([O-])c1Cl ZINC000645171259 1129490073 /nfs/dbraw/zinc/49/00/73/1129490073.db2.gz JOOWTLLVABSBAP-UHFFFAOYSA-N -1 1 281.714 3.805 20 0 CHADMM CN(Cc1cccc([O-])c1Cl)Cc1c(F)cccc1F ZINC000646259339 1129530391 /nfs/dbraw/zinc/53/03/91/1129530391.db2.gz XCLPWTOYQIBQMU-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743720209 1129535292 /nfs/dbraw/zinc/53/52/92/1129535292.db2.gz VCDFNUCKOALZMF-NXEZZACHSA-N -1 1 269.772 3.600 20 0 CHADMM CCC[C@@H](C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744898712 1129588843 /nfs/dbraw/zinc/58/88/43/1129588843.db2.gz NHMHRVLUYPBTGQ-GFCCVEGCSA-N -1 1 292.375 3.507 20 0 CHADMM CC1(CC(F)F)CN(Cc2cccc([O-])c2Cl)C1 ZINC000648058783 1129593637 /nfs/dbraw/zinc/59/36/37/1129593637.db2.gz CPWSWXGVOFPODW-UHFFFAOYSA-N -1 1 275.726 3.523 20 0 CHADMM CSc1cc(F)ccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000648620849 1129616104 /nfs/dbraw/zinc/61/61/04/1129616104.db2.gz XVGXAKXDRXIFKE-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM Cc1cccc(C2(NC(=O)c3ccc([O-])cc3F)CCC2)c1 ZINC000649013356 1129631217 /nfs/dbraw/zinc/63/12/17/1129631217.db2.gz DADKLCNTJHBUSN-UHFFFAOYSA-N -1 1 299.345 3.649 20 0 CHADMM COc1ccc2[nH]ccc2c1-c1ccc(F)cc1[O-] ZINC001242220487 1129695873 /nfs/dbraw/zinc/69/58/73/1129695873.db2.gz AIZKHPWXRJMNHI-UHFFFAOYSA-N -1 1 257.264 3.688 20 0 CHADMM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000650711633 1129719903 /nfs/dbraw/zinc/71/99/03/1129719903.db2.gz AAEYNFDIPRMAHO-MRXNPFEDSA-N -1 1 279.355 3.572 20 0 CHADMM N#C/C(=C\c1ccc([O-])cc1)c1nc(-c2ccccc2)no1 ZINC000016968543 1129843314 /nfs/dbraw/zinc/84/33/14/1129843314.db2.gz GRLNLRASHFKZIN-GXDHUFHOSA-N -1 1 289.294 3.506 20 0 CHADMM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001156720698 1129903144 /nfs/dbraw/zinc/90/31/44/1129903144.db2.gz QSNSABTVIJYPDP-NSHDSACASA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000769873805 1129930007 /nfs/dbraw/zinc/93/00/07/1129930007.db2.gz WJTMXVFYYIRDBK-UHFFFAOYSA-N -1 1 295.791 3.772 20 0 CHADMM CC(C)C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769936184 1129933488 /nfs/dbraw/zinc/93/34/88/1129933488.db2.gz WQDMZAYUJBRZJZ-LLVKDONJSA-N -1 1 281.783 3.554 20 0 CHADMM Cc1cc(O)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000770080902 1129938744 /nfs/dbraw/zinc/93/87/44/1129938744.db2.gz CSCQCWHDUKEKEK-UHFFFAOYSA-N -1 1 285.343 3.782 20 0 CHADMM CSc1ccc(CN[C@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000901769480 1129951134 /nfs/dbraw/zinc/95/11/34/1129951134.db2.gz KJHKGTPDNOIZGN-CYBMUJFWSA-N -1 1 297.420 3.515 20 0 CHADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)CC12CCC2 ZINC000771339591 1129977365 /nfs/dbraw/zinc/97/73/65/1129977365.db2.gz PBHVBVHRYKBKOA-NSHDSACASA-N -1 1 293.794 3.698 20 0 CHADMM CCc1oc(CNC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000902100970 1129980147 /nfs/dbraw/zinc/98/01/47/1129980147.db2.gz JSIXVPQOMBOFMV-UHFFFAOYSA-N -1 1 287.359 3.565 20 0 CHADMM Cc1oc(CN[C@@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000902262847 1129994608 /nfs/dbraw/zinc/99/46/08/1129994608.db2.gz GMWLZMWZVIPWCQ-MRXNPFEDSA-N -1 1 299.370 3.798 20 0 CHADMM Cc1cccc([C@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1C ZINC000902272665 1129995383 /nfs/dbraw/zinc/99/53/83/1129995383.db2.gz WQMVUUMSUWXGRA-HBWSCVEGSA-N -1 1 299.370 3.845 20 0 CHADMM CSc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000902382722 1130004795 /nfs/dbraw/zinc/00/47/95/1130004795.db2.gz UFVBDAFFQVTOCS-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM O=C([O-])c1coc(CN[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000902395956 1130006166 /nfs/dbraw/zinc/00/61/66/1130006166.db2.gz GYYRYRMEBVSNFD-KRWDZBQOSA-N -1 1 299.370 3.999 20 0 CHADMM Cc1[nH]c2ncnc(-c3cccc([O-])c3Cl)c2c1C ZINC001242798692 1130052830 /nfs/dbraw/zinc/05/28/30/1130052830.db2.gz VSBGFSBWFOLXQW-UHFFFAOYSA-N -1 1 273.723 3.601 20 0 CHADMM COc1cccc2c1ncnc2-c1cccc([O-])c1Cl ZINC001242797786 1130048483 /nfs/dbraw/zinc/04/84/83/1130048483.db2.gz MBLFKLNOTTVFCW-UHFFFAOYSA-N -1 1 286.718 3.664 20 0 CHADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)c(F)c1 ZINC001242799610 1130051582 /nfs/dbraw/zinc/05/15/82/1130051582.db2.gz UOLSJDNMBVMFRE-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM Cc1cn2cc(-c3cccc([O-])c3Cl)ccc2n1 ZINC001242800272 1130055440 /nfs/dbraw/zinc/05/54/40/1130055440.db2.gz LOUOSFHGYRTZCP-UHFFFAOYSA-N -1 1 258.708 3.669 20 0 CHADMM [O-]c1cccc(-c2ccc(-c3nnco3)cc2)c1Cl ZINC001242801289 1130058308 /nfs/dbraw/zinc/05/83/08/1130058308.db2.gz WTKNBPXDVFZWCP-UHFFFAOYSA-N -1 1 272.691 3.763 20 0 CHADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1O ZINC000772696783 1130136602 /nfs/dbraw/zinc/13/66/02/1130136602.db2.gz CNGHXIRSGIUZNR-UHFFFAOYSA-N -1 1 293.322 3.812 20 0 CHADMM CC1(C)CCC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000677404928 1130310323 /nfs/dbraw/zinc/31/03/23/1130310323.db2.gz JRCQALALXKKAET-JTQLQIEISA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1c(F)cccc1F ZINC000677892455 1130337966 /nfs/dbraw/zinc/33/79/66/1130337966.db2.gz XKWMWCXDBBNQTJ-MRVPVSSYSA-N -1 1 295.260 3.552 20 0 CHADMM CCC[C@@H](C(=O)Nc1c([O-])cccc1F)C(C)C ZINC000677891511 1130338224 /nfs/dbraw/zinc/33/82/24/1130338224.db2.gz MPTOXPFTPOYXNL-SNVBAGLBSA-N -1 1 253.317 3.542 20 0 CHADMM Cc1ccc(-c2cc(F)ccc2[O-])nc1C(F)(F)F ZINC001240693841 1130421211 /nfs/dbraw/zinc/42/12/11/1130421211.db2.gz JHHYNALLJOKJPA-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM COC(=O)c1cc2ccccc2nc1-c1cc(F)ccc1[O-] ZINC001240693577 1130421571 /nfs/dbraw/zinc/42/15/71/1130421571.db2.gz GFPGQUWMFUAYAD-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM Cc1cccc(-c2ccc(-c3cc(F)ccc3[O-])nn2)c1 ZINC001240696023 1130422434 /nfs/dbraw/zinc/42/24/34/1130422434.db2.gz WOWFNORHVHBMLX-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM COC(=O)c1ccc2cc(-c3cc(F)ccc3[O-])ncc2c1 ZINC001240695204 1130422454 /nfs/dbraw/zinc/42/24/54/1130422454.db2.gz FFQPXDKZWXKWTM-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2ccc(F)cc2)ncn1 ZINC001240695847 1130422791 /nfs/dbraw/zinc/42/27/91/1130422791.db2.gz UFEPYFGKLABAAP-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM CC[C@H](C)c1nc2[nH]ccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240696598 1130423752 /nfs/dbraw/zinc/42/37/52/1130423752.db2.gz SPLKQXYWQSEDJK-VIFPVBQESA-N -1 1 285.322 3.935 20 0 CHADMM [O-]c1ccc(-c2cncc(Oc3ccccc3)n2)cc1F ZINC001240781557 1130466965 /nfs/dbraw/zinc/46/69/65/1130466965.db2.gz AMPXWVFAWWEJBY-UHFFFAOYSA-N -1 1 282.274 3.781 20 0 CHADMM [O-]c1ccc(-c2ccc(OCc3ccccc3)nn2)cc1F ZINC001240781921 1130469010 /nfs/dbraw/zinc/46/90/10/1130469010.db2.gz KWUSMMZNZMAAHT-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM CC(C)[C@@H](Oc1nc2sccc2[n-]1)C(F)(F)F ZINC001234851826 1130682741 /nfs/dbraw/zinc/68/27/41/1130682741.db2.gz PSPRQEHNXRJDHK-SSDOTTSWSA-N -1 1 264.272 3.590 20 0 CHADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccc2ccccc2c1 ZINC000812406300 1130687356 /nfs/dbraw/zinc/68/73/56/1130687356.db2.gz OXRDPHQGTAFEOM-OXFRDRNISA-N -1 1 289.762 3.744 20 0 CHADMM CC(C)COc1cnc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245053206 1130774389 /nfs/dbraw/zinc/77/43/89/1130774389.db2.gz XSUXHELZVMWFMI-UHFFFAOYSA-N -1 1 278.739 3.537 20 0 CHADMM Oc1c(F)cc(F)c(-c2ccc([S-])cc2)c1F ZINC001235993040 1130824235 /nfs/dbraw/zinc/82/42/35/1130824235.db2.gz BGRHHVPAPPIDDC-UHFFFAOYSA-N -1 1 256.248 3.765 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2-n2cccc2)c1[O-] ZINC001236389457 1130925548 /nfs/dbraw/zinc/92/55/48/1130925548.db2.gz FRWKQBJGJJISAL-UHFFFAOYSA-N -1 1 268.291 3.692 20 0 CHADMM Cc1ccc(F)c(-c2cc(N)c(C(F)(F)F)cn2)c1[O-] ZINC001236390213 1130925729 /nfs/dbraw/zinc/92/57/29/1130925729.db2.gz DKPBNNCBZRORPM-UHFFFAOYSA-N -1 1 286.228 3.503 20 0 CHADMM Cc1ccc(F)c(-c2cccc(COCC3CC3)n2)c1[O-] ZINC001236390767 1130925778 /nfs/dbraw/zinc/92/57/78/1130925778.db2.gz JYNIJHGVEFBMML-UHFFFAOYSA-N -1 1 287.334 3.828 20 0 CHADMM Cc1cc2ccnc(-c3c(F)ccc(C)c3[O-])c2[nH]1 ZINC001236393164 1130926121 /nfs/dbraw/zinc/92/61/21/1130926121.db2.gz PRZWWHHVBFUTDQ-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2nc(C)nc3cc(F)ccc32)c1[O-] ZINC001236394713 1130926209 /nfs/dbraw/zinc/92/62/09/1130926209.db2.gz ZVUMTZJNMMAIGK-UHFFFAOYSA-N -1 1 286.281 3.897 20 0 CHADMM Cc1ccc(F)c(-c2cnc3ccc(F)cc3n2)c1[O-] ZINC001236394710 1130926762 /nfs/dbraw/zinc/92/67/62/1130926762.db2.gz ZQTCRCCSRLFBBV-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CSc1ccc([O-])c(C(=O)Nc2cc(F)ccc2C)c1 ZINC001135373747 1131051857 /nfs/dbraw/zinc/05/18/57/1131051857.db2.gz XPHZKBXWCDYKJQ-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2c([O-])cccc2Cl)CC12CCC2 ZINC000816798798 1131127300 /nfs/dbraw/zinc/12/73/00/1131127300.db2.gz WFFPLOCCEAGXAQ-CQSZACIVSA-N -1 1 293.794 3.696 20 0 CHADMM [O-]c1c(F)cc(CN2CCC[C@H](F)CC2)cc1Cl ZINC001237985376 1131158899 /nfs/dbraw/zinc/15/88/99/1131158899.db2.gz WJJALRRYAMEJTR-JTQLQIEISA-N -1 1 275.726 3.509 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc([O-])cc1F ZINC001136019439 1131183977 /nfs/dbraw/zinc/18/39/77/1131183977.db2.gz PKEYDZFASCZKLA-YNEHKIRRSA-N -1 1 291.366 3.620 20 0 CHADMM [O-]c1ccc(F)c(-c2cc3[nH]ccc3cn2)c1Cl ZINC001245828811 1131198827 /nfs/dbraw/zinc/19/88/27/1131198827.db2.gz XYHXDSYFWJOXTH-UHFFFAOYSA-N -1 1 262.671 3.728 20 0 CHADMM COC(=O)c1cccc(F)c1-c1c(F)ccc([O-])c1Cl ZINC001245831311 1131201344 /nfs/dbraw/zinc/20/13/44/1131201344.db2.gz CLOTUTNQTSGBMU-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM CCCc1nc(C)c(NC(=O)c2ccc(F)c([O-])c2)s1 ZINC001138347917 1131493247 /nfs/dbraw/zinc/49/32/47/1131493247.db2.gz ADYMLSLHMMRBDR-UHFFFAOYSA-N -1 1 294.351 3.501 20 0 CHADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC001202828111 1131500151 /nfs/dbraw/zinc/50/01/51/1131500151.db2.gz BRSHPAQVQMOARO-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1C ZINC001202828893 1131507112 /nfs/dbraw/zinc/50/71/12/1131507112.db2.gz YTKOFXSBVUFWNJ-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CCC[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001143916352 1131553374 /nfs/dbraw/zinc/55/33/74/1131553374.db2.gz CGLUTYWBQWGLLW-AAEUAGOBSA-N -1 1 279.355 3.620 20 0 CHADMM CN(C/C=C/c1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144560197 1131659208 /nfs/dbraw/zinc/65/92/08/1131659208.db2.gz VERFLGUTLQTVNO-VMPITWQZSA-N -1 1 289.325 3.816 20 0 CHADMM [O-]c1cc(F)c(CN2CCCC[C@@H]2C(F)(F)F)cc1F ZINC001144666755 1131676821 /nfs/dbraw/zinc/67/68/21/1131676821.db2.gz OVPHXIWUUPSUMK-GFCCVEGCSA-N -1 1 295.251 3.587 20 0 CHADMM C[C@H]1Cc2ccccc2CN1Cc1cc(F)c([O-])cc1F ZINC001144659501 1131678900 /nfs/dbraw/zinc/67/89/00/1131678900.db2.gz KXNWZIXZQZOPLD-NSHDSACASA-N -1 1 289.325 3.617 20 0 CHADMM O=C(NCc1ccc([O-])c(Cl)c1)C1=CCCCCC1 ZINC000834827144 1131707061 /nfs/dbraw/zinc/70/70/61/1131707061.db2.gz XRUZUGGOAJVGHO-UHFFFAOYSA-N -1 1 279.767 3.552 20 0 CHADMM C/C(=C\C(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825308 1131707103 /nfs/dbraw/zinc/70/71/03/1131707103.db2.gz JSALVBQELOCOKH-CSKARUKUSA-N -1 1 281.783 3.654 20 0 CHADMM CCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000834829364 1131708823 /nfs/dbraw/zinc/70/88/23/1131708823.db2.gz VBVFHSYISOQAPE-UHFFFAOYSA-N -1 1 281.783 3.632 20 0 CHADMM CCc1ccncc1NCc1cccc([O-])c1Cl ZINC001203039212 1131748734 /nfs/dbraw/zinc/74/87/34/1131748734.db2.gz PSZIEISHGQNZKC-UHFFFAOYSA-N -1 1 262.740 3.615 20 0 CHADMM C[C@@H]1CC(Oc2[n-]c(=S)nc3cnccc32)C[C@@H](C)C1 ZINC001227881498 1131757969 /nfs/dbraw/zinc/75/79/69/1131757969.db2.gz MLQKGTISJMSUNK-UWVGGRQHSA-N -1 1 289.404 3.891 20 0 CHADMM CC[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001147262282 1131817697 /nfs/dbraw/zinc/81/76/97/1131817697.db2.gz JDIGWCRVMQUTTD-DGCLKSJQSA-N -1 1 295.810 3.673 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)c1sccc1Cl ZINC001140657722 1131853807 /nfs/dbraw/zinc/85/38/07/1131853807.db2.gz WQFJSSZJHULLDL-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM [O-]c1c(Cl)cc(CN2CCC3(CC3)C2)cc1Cl ZINC001140834845 1131941338 /nfs/dbraw/zinc/94/13/38/1131941338.db2.gz FQRBRAFXINPASP-UHFFFAOYSA-N -1 1 272.175 3.685 20 0 CHADMM CC[N@H+](Cc1cccs1)Cc1cc(F)c(O)c(F)c1 ZINC001140990614 1131980312 /nfs/dbraw/zinc/98/03/12/1131980312.db2.gz JZSLFVIDHMHALH-UHFFFAOYSA-N -1 1 283.343 3.754 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000716047209 1132003630 /nfs/dbraw/zinc/00/36/30/1132003630.db2.gz SQMWLAQAAGOYKF-UQPYNNQESA-N -1 1 297.807 3.658 20 0 CHADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccccc1 ZINC001229129333 1132024126 /nfs/dbraw/zinc/02/41/26/1132024126.db2.gz MWJBPNRXKJQLNO-NSHDSACASA-N -1 1 282.295 3.639 20 0 CHADMM CC[C@H]1CC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136199 1132025060 /nfs/dbraw/zinc/02/50/60/1132025060.db2.gz UDLHOUGLODOAGW-AULYBMBSSA-N -1 1 288.343 3.846 20 0 CHADMM CC[C@H]1CCCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134198 1132025463 /nfs/dbraw/zinc/02/54/63/1132025463.db2.gz GHEPNKBIXHFUIK-FZMZJTMJSA-N -1 1 288.343 3.846 20 0 CHADMM C/C(=C\C(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000837086647 1132034187 /nfs/dbraw/zinc/03/41/87/1132034187.db2.gz QJKFUHVBFWBAQH-BQYQJAHWSA-N -1 1 269.291 3.601 20 0 CHADMM CCOc1ccc(Cl)c(NC(=O)c2ccccc2[O-])c1 ZINC001141200300 1132041651 /nfs/dbraw/zinc/04/16/51/1132041651.db2.gz RQHNDUWEXAAKSI-UHFFFAOYSA-N -1 1 291.734 3.697 20 0 CHADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC001141248475 1132059592 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ZINC000312097770 333076536 /nfs/dbraw/zinc/07/65/36/333076536.db2.gz SHVQBUHEKMLFAG-CBINBANVSA-N -1 1 279.767 3.810 20 0 CHADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000088707550 333091400 /nfs/dbraw/zinc/09/14/00/333091400.db2.gz IMGPQLXHPSURHF-STQMWFEESA-N -1 1 283.371 3.806 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(F)ccc1F ZINC000190915419 333212390 /nfs/dbraw/zinc/21/23/90/333212390.db2.gz FQEBDXNJVFACRM-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CC[C@H](C)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037173905 333507627 /nfs/dbraw/zinc/50/76/27/333507627.db2.gz XIHBNMJUEIRPQL-LBPRGKRZSA-N -1 1 271.360 3.664 20 0 CHADMM CC(C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000132863570 334008209 /nfs/dbraw/zinc/00/82/09/334008209.db2.gz SIBIUBKVJXGDNH-UHFFFAOYSA-N -1 1 287.334 3.582 20 0 CHADMM CCC1(CC)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000132893817 334009502 /nfs/dbraw/zinc/00/95/02/334009502.db2.gz OTPFOIYBGNCWGV-UHFFFAOYSA-N -1 1 279.355 3.574 20 0 CHADMM CCC1(CC)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000554889712 334459209 /nfs/dbraw/zinc/45/92/09/334459209.db2.gz RFJHVQWADOXYAT-UHFFFAOYSA-N -1 1 297.345 3.713 20 0 CHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C(C)(C)C1 ZINC000380374735 335977985 /nfs/dbraw/zinc/97/79/85/335977985.db2.gz FHMKQPONIUFKMB-LBPRGKRZSA-N -1 1 283.371 3.806 20 0 CHADMM CCCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000384382489 336124217 /nfs/dbraw/zinc/12/42/17/336124217.db2.gz JNCBGPCTMDDTNZ-UHFFFAOYSA-N -1 1 287.334 3.584 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000532622167 518201023 /nfs/dbraw/zinc/20/10/23/518201023.db2.gz GUENNKMUXNOKNQ-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM O=C(Nc1cccc2ccccc21)c1ccc(O)cc1[O-] ZINC000192638584 534372702 /nfs/dbraw/zinc/37/27/02/534372702.db2.gz RZEXQTSTEMDZGX-UHFFFAOYSA-N -1 1 279.295 3.503 20 0 CHADMM CCCC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000262719326 521102435 /nfs/dbraw/zinc/10/24/35/521102435.db2.gz ULPJXULQHQZJCO-OAHLLOKOSA-N -1 1 287.359 3.680 20 0 CHADMM COC[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(Cl)cc1 ZINC000278816479 522383569 /nfs/dbraw/zinc/38/35/69/522383569.db2.gz SSIOJQHSSWQBKI-GFCCVEGCSA-N -1 1 295.770 3.646 20 0 CHADMM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(F)cc3[O-])c21 ZINC000340331119 524919528 /nfs/dbraw/zinc/91/95/28/524919528.db2.gz RGLMKNAYKSAUEW-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340328467 525993016 /nfs/dbraw/zinc/99/30/16/525993016.db2.gz HGNISXYOMRLMSM-JTQLQIEISA-N -1 1 291.347 3.651 20 0 CHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCCCC1 ZINC000338431408 527135729 /nfs/dbraw/zinc/13/57/29/527135729.db2.gz OEYXGSIBYHUYAL-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM Cc1oc(CN[C@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000738979682 599803795 /nfs/dbraw/zinc/80/37/95/599803795.db2.gz OJVOWXVURIJYCL-GOSISDBHSA-N -1 1 299.370 3.628 20 0 CHADMM Cc1oc(CN[C@@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000738979687 599803959 /nfs/dbraw/zinc/80/39/59/599803959.db2.gz OJVOWXVURIJYCL-SFHVURJKSA-N -1 1 299.370 3.628 20 0 CHADMM Cc1cccc(C)c1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000156915252 600431276 /nfs/dbraw/zinc/43/12/76/600431276.db2.gz YCSUQCFKBFSVQP-UHFFFAOYSA-N -1 1 281.355 3.517 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000579842960 600862130 /nfs/dbraw/zinc/86/21/30/600862130.db2.gz SPVSNPPXXCGIQA-YPMHNXCESA-N -1 1 289.331 3.544 20 0 CHADMM Cc1ccc([C@H]2CCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000738581899 600968912 /nfs/dbraw/zinc/96/89/12/600968912.db2.gz GAPXRMGWNNSTIA-CYBMUJFWSA-N -1 1 289.331 3.606 20 0 CHADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000828410719 601044589 /nfs/dbraw/zinc/04/45/89/601044589.db2.gz CAPPDWIWKJUMTP-COXVUDFISA-N -1 1 281.355 3.505 20 0 CHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000110955747 601804270 /nfs/dbraw/zinc/80/42/70/601804270.db2.gz KJOYIQSBBKFMPW-UHFFFAOYSA-N -1 1 295.791 3.732 20 0 CHADMM CN(CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000833691825 604541009 /nfs/dbraw/zinc/54/10/09/604541009.db2.gz IAOFPTIKPIKNLK-UHFFFAOYSA-N -1 1 295.791 3.585 20 0 CHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000062015319 948948936 /nfs/dbraw/zinc/94/89/36/948948936.db2.gz XLIVYETUEOKVHT-LBPRGKRZSA-N -1 1 287.334 3.717 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164692513 949416353 /nfs/dbraw/zinc/41/63/53/949416353.db2.gz YDSXIDOVDKYVQK-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM Cc1ccc(CNCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000312958160 950777780 /nfs/dbraw/zinc/77/77/80/950777780.db2.gz IZLLWSWNIQLKSB-UHFFFAOYSA-N -1 1 289.762 3.636 20 0 CHADMM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001593638549 953628418 /nfs/dbraw/zinc/62/84/18/953628418.db2.gz UOFASZVVHICEDI-OAHLLOKOSA-N -1 1 289.400 3.534 20 0 CHADMM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000050507843 957492697 /nfs/dbraw/zinc/49/26/97/957492697.db2.gz ALQXMTMTCIVTLY-FZMZJTMJSA-N -1 1 275.373 3.533 20 0 CHADMM Cc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000235527916 960457125 /nfs/dbraw/zinc/45/71/25/960457125.db2.gz GIGBJTSQUQODGM-JTQLQIEISA-N -1 1 279.361 3.507 20 0 CHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000235857820 960519447 /nfs/dbraw/zinc/51/94/47/960519447.db2.gz NTRTYGPPTDNVHW-HNNXBMFYSA-N -1 1 289.762 3.564 20 0 CHADMM Cc1oc(CN[C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000236011501 960545021 /nfs/dbraw/zinc/54/50/21/960545021.db2.gz PVYSNOHABIYUNC-CYBMUJFWSA-N -1 1 291.372 3.515 20 0 CHADMM C[C@@H](CN(C)[C@@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578837 978486249 /nfs/dbraw/zinc/48/62/49/978486249.db2.gz HUULCRRNNCSHCD-RYUDHWBXSA-N -1 1 294.395 3.582 20 0 CHADMM CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595299356 980426473 /nfs/dbraw/zinc/42/64/73/980426473.db2.gz QNUCXLOQSFAYIR-HNNXBMFYSA-N -1 1 291.322 3.666 20 0 CHADMM Cc1cc(C)c(/C=C\CNCc2cc(C(=O)[O-])co2)cc1C ZINC000901951798 980648013 /nfs/dbraw/zinc/64/80/13/980648013.db2.gz FOEUBOZKIJBWRW-PLNGDYQASA-N -1 1 299.370 3.706 20 0 CHADMM Cc1cc(C)cc([C@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902233933 980793477 /nfs/dbraw/zinc/79/34/77/980793477.db2.gz FUQWMYPKNMPQDV-AFNCTOJWSA-N -1 1 299.370 3.845 20 0 CHADMM CCCC[C@@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC001595637877 981937018 /nfs/dbraw/zinc/93/70/18/981937018.db2.gz WQTNWVWZGYFUSB-CMPLNLGQSA-N -1 1 292.404 3.590 20 0 CHADMM COc1ccc(C)c(F)c1Nc1cc(F)c([O-])cc1F ZINC001214631037 1125488358 /nfs/dbraw/zinc/48/83/58/1125488358.db2.gz MQNAWRDEMSUOAM-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM C[C@H](NCc1ccoc1C(=O)[O-])c1cc2ccccc2o1 ZINC001599901887 984847965 /nfs/dbraw/zinc/84/79/65/984847965.db2.gz TXGNSFCRYOFTSV-JTQLQIEISA-N -1 1 285.299 3.575 20 0 CHADMM CC(C)[C@@H](NCc1occc1C(=O)[O-])c1ccccc1F ZINC001591034109 991351258 /nfs/dbraw/zinc/35/12/58/991351258.db2.gz ZSCYRRFGDBKJOB-OAHLLOKOSA-N -1 1 291.322 3.604 20 0 CHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1(C)C ZINC001593942625 996969224 /nfs/dbraw/zinc/96/92/24/996969224.db2.gz MYUSGNKHXXCTPS-UHFFFAOYSA-N -1 1 281.783 3.659 20 0 CHADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436717967 1122575055 /nfs/dbraw/zinc/57/50/55/1122575055.db2.gz JGLMGXQNTJUIFC-MNOVXSKESA-N -1 1 281.783 3.696 20 0 CHADMM CC[C@H](C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000436881199 1122591527 /nfs/dbraw/zinc/59/15/27/1122591527.db2.gz WHERMSKQMHNNBM-VIFPVBQESA-N -1 1 264.300 3.560 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)s2)o1 ZINC000426763861 1122912543 /nfs/dbraw/zinc/91/25/43/1122912543.db2.gz FHDJCVVPPAZBAA-JTQLQIEISA-N -1 1 299.779 3.609 20 0 CHADMM CSCCCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000860441997 1123733238 /nfs/dbraw/zinc/73/32/38/1123733238.db2.gz SWIUVPYWAOADEJ-UHFFFAOYSA-N -1 1 285.384 3.783 20 0 CHADMM Cc1nc(SCOCCC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000865373530 1123975600 /nfs/dbraw/zinc/97/56/00/1123975600.db2.gz YOQSJDSJTAQCLD-UHFFFAOYSA-N -1 1 296.436 3.870 20 0 CHADMM [S-]c1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC001233261793 1132590698 /nfs/dbraw/zinc/59/06/98/1132590698.db2.gz DSXYFVYJHFQHLZ-UHFFFAOYSA-N -1 1 259.374 3.733 20 0 CHADMM [S-]c1ccc(CN(Cc2ccco2)C2CC2)cc1 ZINC001233261793 1132590705 /nfs/dbraw/zinc/59/07/05/1132590705.db2.gz DSXYFVYJHFQHLZ-UHFFFAOYSA-N -1 1 259.374 3.733 20 0 CHADMM [O-]c1cc(O[C@H]2COc3cnccc32)c(Cl)cc1Cl ZINC001229406388 1125554762 /nfs/dbraw/zinc/55/47/62/1125554762.db2.gz SWNFHVQYOHDZKO-ZDUSSCGKSA-N -1 1 298.125 3.607 20 0 CHADMM CCC[C@H](CC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885679790 1125620838 /nfs/dbraw/zinc/62/08/38/1125620838.db2.gz HCYOBJPUTIXCFM-QMMMGPOBSA-N -1 1 273.735 3.950 20 0 CHADMM O=C(/C=C/C1CCCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885679677 1125620891 /nfs/dbraw/zinc/62/08/91/1125620891.db2.gz FFVUWZKLKIQDOJ-AATRIKPKSA-N -1 1 283.730 3.870 20 0 CHADMM Cc1cc(C)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000067738953 1125718251 /nfs/dbraw/zinc/71/82/51/1125718251.db2.gz JPFPOKLGINWERY-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM Cc1coc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000903997949 1126816974 /nfs/dbraw/zinc/81/69/74/1126816974.db2.gz AUPWWCZPQFEKJP-AWEZNQCLSA-N -1 1 293.750 3.547 20 0 CHADMM CC(C)CCC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000904039338 1126823753 /nfs/dbraw/zinc/82/37/53/1126823753.db2.gz XXUHCKOAMADDRH-OAHLLOKOSA-N -1 1 289.375 3.802 20 0 CHADMM CC[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(F)cc1 ZINC000193553752 1126969208 /nfs/dbraw/zinc/96/92/08/1126969208.db2.gz GAELPMYWCQZGKD-LBPRGKRZSA-N -1 1 294.351 3.579 20 0 CHADMM CCCC[C@](C)(F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988732 1127043656 /nfs/dbraw/zinc/04/36/56/1127043656.db2.gz YAJFAJWJTCRLGE-ZDUSSCGKSA-N -1 1 275.270 3.527 20 0 CHADMM CC(C)(C)CCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909976005 1127041796 /nfs/dbraw/zinc/04/17/96/1127041796.db2.gz IBQBBMBBAOSVRC-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM CCCC[C@@H](CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976089 1127042213 /nfs/dbraw/zinc/04/22/13/1127042213.db2.gz XEZHGHBQMFAXJS-SECBINFHSA-N -1 1 271.307 3.825 20 0 CHADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1c([O-])cccc1Cl ZINC001299360497 1127148216 /nfs/dbraw/zinc/14/82/16/1127148216.db2.gz IKIIQYKPOFIRKF-VXGBXAGGSA-N -1 1 293.794 3.602 20 0 CHADMM CN(C)c1cccc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832101 1131202048 /nfs/dbraw/zinc/20/20/48/1131202048.db2.gz LVKVKTGLRZVSMA-UHFFFAOYSA-N -1 1 265.715 3.918 20 0 CHADMM CCCCC[C@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225018822 1127321782 /nfs/dbraw/zinc/32/17/82/1127321782.db2.gz ILHLUUQDFOSXMD-ZDUSSCGKSA-N -1 1 280.345 3.710 20 0 CHADMM CCc1ccnc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000358834974 1127435839 /nfs/dbraw/zinc/43/58/39/1127435839.db2.gz UXYHAILFKPJMIY-UHFFFAOYSA-N -1 1 285.734 3.613 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@H](C)C1 ZINC000359273009 1127455782 /nfs/dbraw/zinc/45/57/82/1127455782.db2.gz ZKMUFZFNJKTCIL-ZFWWWQNUSA-N -1 1 290.407 3.608 20 0 CHADMM CC(C)(C)[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228161407 1127535169 /nfs/dbraw/zinc/53/51/69/1127535169.db2.gz LBMKNBIEYXZVBH-OAHLLOKOSA-N -1 1 287.359 3.855 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C1CC1 ZINC000362014432 1127605910 /nfs/dbraw/zinc/60/59/10/1127605910.db2.gz TXEVRYOMYNZLPB-INIZCTEOSA-N -1 1 281.355 3.560 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1scnc1C ZINC000362183623 1127618065 /nfs/dbraw/zinc/61/80/65/1127618065.db2.gz PPOJJKIBQUOSBH-UHFFFAOYSA-N -1 1 296.392 3.955 20 0 CHADMM CC(C)O[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000295443880 1127643114 /nfs/dbraw/zinc/64/31/14/1127643114.db2.gz AGZWINCACGSGSO-MRVPVSSYSA-N -1 1 276.163 3.553 20 0 CHADMM Cc1c2ccccc2oc1C(=O)Nc1c([O-])cccc1F ZINC000605440329 1127736838 /nfs/dbraw/zinc/73/68/38/1127736838.db2.gz OJXZNEAMQJEHLY-UHFFFAOYSA-N -1 1 285.274 3.838 20 0 CHADMM CC(C)(CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000608367077 1127862453 /nfs/dbraw/zinc/86/24/53/1127862453.db2.gz SVUVCSNBAGOSCF-UHFFFAOYSA-N -1 1 287.334 3.838 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc(C(F)F)c1 ZINC000608365738 1127863242 /nfs/dbraw/zinc/86/32/42/1127863242.db2.gz ILRCYILYPIVXGI-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM CCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCCC1 ZINC000509712319 1127905697 /nfs/dbraw/zinc/90/56/97/1127905697.db2.gz KHGLPOQBJWPCFF-WCQYABFASA-N -1 1 297.468 3.828 20 0 CHADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000412804709 1127928058 /nfs/dbraw/zinc/92/80/58/1127928058.db2.gz CQWKDJCHXATJQJ-GXSJLCMTSA-N -1 1 297.345 3.615 20 0 CHADMM CC(C)c1cc(C(=O)N=S(C)(C)=O)c([O-])c(C(C)C)c1 ZINC000913645804 1128069164 /nfs/dbraw/zinc/06/91/64/1128069164.db2.gz UKBCTJMUVMIXGG-UHFFFAOYSA-N -1 1 297.420 3.507 20 0 CHADMM CC1(C)Cc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000646752965 1128125463 /nfs/dbraw/zinc/12/54/63/1128125463.db2.gz BKBKDHRWYJBICA-UHFFFAOYSA-N -1 1 281.355 3.621 20 0 CHADMM Cc1cscc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000094879074 1128253608 /nfs/dbraw/zinc/25/36/08/1128253608.db2.gz JQPQADWWLZZRFX-UHFFFAOYSA-N -1 1 297.379 3.845 20 0 CHADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccc([O-])cc1F ZINC000649006695 1128466439 /nfs/dbraw/zinc/46/64/39/1128466439.db2.gz POSDRRGQXPNUED-MRXNPFEDSA-N -1 1 291.366 3.620 20 0 CHADMM O=c1cc(C(F)F)nc(SC2CC3(CCC3)C2)[n-]1 ZINC000917746295 1128518412 /nfs/dbraw/zinc/51/84/12/1128518412.db2.gz MJLOIICZZRJGDS-UHFFFAOYSA-N -1 1 272.320 3.545 20 0 CHADMM CCC[C@H](C)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001633370715 1128526203 /nfs/dbraw/zinc/52/62/03/1128526203.db2.gz ABWKANKMLBXLLQ-JTQLQIEISA-N -1 1 269.772 3.602 20 0 CHADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129529943 1128543080 /nfs/dbraw/zinc/54/30/80/1128543080.db2.gz YLXFRHGKFKWAMM-IINYFYTJSA-N -1 1 297.782 3.579 20 0 CHADMM N#CC(=C([O-])c1cc2c(cccc2F)s1)c1ccccn1 ZINC000041493738 1128545555 /nfs/dbraw/zinc/54/55/55/1128545555.db2.gz BDLIFLNUNLZBDA-LLVKDONJSA-N -1 1 296.326 3.925 20 0 CHADMM C[C@H]1CCCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000070410757 1128563642 /nfs/dbraw/zinc/56/36/42/1128563642.db2.gz BGXPBSJEMMOBEH-ZDUSSCGKSA-N -1 1 283.371 3.950 20 0 CHADMM Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)n1 ZINC000131563661 1128627537 /nfs/dbraw/zinc/62/75/37/1128627537.db2.gz IHUGVPSYKXAEEP-NSHDSACASA-N -1 1 292.329 3.567 20 0 CHADMM Cc1cc(F)ccc1CN(C)Cc1csc(C(=O)[O-])c1 ZINC000572250023 1128643715 /nfs/dbraw/zinc/64/37/15/1128643715.db2.gz CJRVSILEXXMUIK-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM CCc1nc(SC[C@@H]2CCC(F)(F)C2)[n-]c(=O)c1C ZINC000578907770 1128732709 /nfs/dbraw/zinc/73/27/09/1128732709.db2.gz BFWYGICBAUKJLK-SECBINFHSA-N -1 1 288.363 3.581 20 0 CHADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683182288 1117841804 /nfs/dbraw/zinc/84/18/04/1117841804.db2.gz BZAPHWAPCGHMAE-RAXLEYEMSA-N -1 1 299.345 3.707 20 0 CHADMM Cc1oc([C@@H](C)N2CCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000579240117 1128741490 /nfs/dbraw/zinc/74/14/90/1128741490.db2.gz BFHBVXLPMSWABF-MFKMUULPSA-N -1 1 289.331 3.777 20 0 CHADMM CCn1nc(C)c([N-]c2nc3cccc(F)c3o2)c1C ZINC000624000436 1117967837 /nfs/dbraw/zinc/96/78/37/1117967837.db2.gz AYPCTSZRUWJSDB-UHFFFAOYSA-N -1 1 274.299 3.544 20 0 CHADMM CCCN(C(=O)c1cncc([O-])c1)[C@H](CC)c1ccccc1 ZINC000339833460 1117982034 /nfs/dbraw/zinc/98/20/34/1117982034.db2.gz HRRIHHBYGVWPQK-QGZVFWFLSA-N -1 1 298.386 3.791 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1Cl)CCCC2 ZINC000634623849 1118059653 /nfs/dbraw/zinc/05/96/53/1118059653.db2.gz QABYNRUJVHIHFD-JTQLQIEISA-N -1 1 297.185 3.882 20 0 CHADMM C[C@H]1CC[C@]2(CCN(C(=O)c3c([O-])cccc3Cl)C2)C1 ZINC000782112548 1118147808 /nfs/dbraw/zinc/14/78/08/1118147808.db2.gz UXLYQWUBILLSDX-ZBEGNZNMSA-N -1 1 293.794 3.698 20 0 CHADMM COc1ccc(-c2ccc(Cl)c([O-])c2)cc1OC ZINC000065343423 1118243471 /nfs/dbraw/zinc/24/34/71/1118243471.db2.gz FCSIRLHBYHISSH-UHFFFAOYSA-N -1 1 264.708 3.730 20 0 CHADMM COc1cc(-c2ccc(Cl)c([O-])c2)ccc1F ZINC000065343315 1118243733 /nfs/dbraw/zinc/24/37/33/1118243733.db2.gz FTXYJGPACUTVJR-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM CC(C)c1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1 ZINC000060472599 1118299498 /nfs/dbraw/zinc/29/94/98/1118299498.db2.gz WFUCBZDISMVKOH-UHFFFAOYSA-N -1 1 299.345 3.858 20 0 CHADMM CCCC[C@H](CC)CCCN(C)C(=O)c1cncc([O-])c1 ZINC001167333353 1118319176 /nfs/dbraw/zinc/31/91/76/1118319176.db2.gz LWYVHQKRQHIOAW-AWEZNQCLSA-N -1 1 292.423 3.856 20 0 CHADMM CCc1nocc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC001125404061 1118328667 /nfs/dbraw/zinc/32/86/67/1118328667.db2.gz LDLFBIQGGOFLSP-UHFFFAOYSA-N -1 1 296.779 3.865 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CC2(C1)CCCCC2 ZINC000616101002 1128775264 /nfs/dbraw/zinc/77/52/64/1128775264.db2.gz LCJQFXNEAUPWPU-UHFFFAOYSA-N -1 1 295.329 3.969 20 0 CHADMM O=c1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc[nH]1 ZINC001210924849 1118423868 /nfs/dbraw/zinc/42/38/68/1118423868.db2.gz UFFPBLWBYPJQCJ-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM [O-]c1c(F)cccc1NC(=S)Nc1ccc(Cl)cc1 ZINC000168458352 1118438612 /nfs/dbraw/zinc/43/86/12/1118438612.db2.gz WEPFZNJGKXUSOC-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM CC(=O)Nc1ccc(C)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211340777 1118505455 /nfs/dbraw/zinc/50/54/55/1118505455.db2.gz YRJBGZPFMHOQQM-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM C[C@@H]1Cc2cc(-c3cc(F)c([O-])cc3F)ccc2O1 ZINC001211339229 1118505598 /nfs/dbraw/zinc/50/55/98/1118505598.db2.gz LSAUWEROSBATLY-MRVPVSSYSA-N -1 1 262.255 3.661 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-n3ccnc3)cc2)cc1F ZINC001211340474 1118505899 /nfs/dbraw/zinc/50/58/99/1118505899.db2.gz VRPLKQRAFCKWEI-UHFFFAOYSA-N -1 1 272.254 3.523 20 0 CHADMM [O-]c1cc(F)c(-c2cccc(-c3ncc[nH]3)c2)cc1F ZINC001211353625 1118507454 /nfs/dbraw/zinc/50/74/54/1118507454.db2.gz YFHRKVKWJQRVHR-UHFFFAOYSA-N -1 1 272.254 3.728 20 0 CHADMM Cc1cc(-c2cc(F)c([O-])cc2F)cc(F)c1F ZINC001211351736 1118507524 /nfs/dbraw/zinc/50/75/24/1118507524.db2.gz BJYBVGBVBSBZDH-UHFFFAOYSA-N -1 1 256.198 3.924 20 0 CHADMM CC[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000684163686 1118548434 /nfs/dbraw/zinc/54/84/34/1118548434.db2.gz UCDOIONWCZRNAD-LBPRGKRZSA-N -1 1 273.307 3.664 20 0 CHADMM CCc1nc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]c(=O)c1C ZINC000657264075 1118944312 /nfs/dbraw/zinc/94/43/12/1118944312.db2.gz CSCALYNCYQNMDM-UTUOFQBUSA-N -1 1 278.421 3.581 20 0 CHADMM C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232558 1128832114 /nfs/dbraw/zinc/83/21/14/1128832114.db2.gz CQQPBIVRZUUXAB-KWQFWETISA-N -1 1 275.735 3.793 20 0 CHADMM CCOCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233285 1128832705 /nfs/dbraw/zinc/83/27/05/1128832705.db2.gz UCBFURVGJTYLBW-UHFFFAOYSA-N -1 1 293.750 3.564 20 0 CHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC000226204460 1119327784 /nfs/dbraw/zinc/32/77/84/1119327784.db2.gz SGNLKFYETJNIBN-GBIKHYSHSA-N -1 1 281.783 3.600 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)sc1C ZINC000091010965 1119550891 /nfs/dbraw/zinc/55/08/91/1119550891.db2.gz BOJZOQGVVFAQNH-UHFFFAOYSA-N -1 1 299.392 3.613 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCC2(CC2)C1 ZINC000612759224 1119821415 /nfs/dbraw/zinc/82/14/15/1119821415.db2.gz GICWRSROIOCHCC-SNVBAGLBSA-N -1 1 279.767 3.955 20 0 CHADMM CCN(C(=O)c1cc(Cl)ccc1[O-])C1CC(C)(C)C1 ZINC000413994968 1119845468 /nfs/dbraw/zinc/84/54/68/1119845468.db2.gz ZFNREONOIUEQBG-UHFFFAOYSA-N -1 1 281.783 3.696 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1CCC(C2CC2)CC1 ZINC000613027820 1119852481 /nfs/dbraw/zinc/85/24/81/1119852481.db2.gz MSABUPHZKPCXCJ-UHFFFAOYSA-N -1 1 277.339 3.686 20 0 CHADMM CSCc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613504986 1119945976 /nfs/dbraw/zinc/94/59/76/1119945976.db2.gz PHTJNBZYYDWDIT-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM CCC(C)(CC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135000733 1120064266 /nfs/dbraw/zinc/06/42/66/1120064266.db2.gz VIQCOLNWYRDBNU-UHFFFAOYSA-N -1 1 255.745 3.810 20 0 CHADMM CC(=Cc1ccc(Cl)cc1)C=C1SC(=S)[N-]C1=O ZINC000167145009 1120077681 /nfs/dbraw/zinc/07/76/81/1120077681.db2.gz VEOPEWMMQZNUAC-VJUDZZRDSA-N -1 1 295.816 3.775 20 0 CHADMM Cc1scc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000179883474 1120095647 /nfs/dbraw/zinc/09/56/47/1120095647.db2.gz OSAKIMIFBOMWRH-UHFFFAOYSA-N -1 1 281.764 3.976 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000378818943 1120132628 /nfs/dbraw/zinc/13/26/28/1120132628.db2.gz DEKSFYDVEQJLSI-CZUORRHYSA-N -1 1 281.355 3.560 20 0 CHADMM O=C(OCC1CC=CC1)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085429 1120135913 /nfs/dbraw/zinc/13/59/13/1120135913.db2.gz FMJDXBAQJAKPFN-UHFFFAOYSA-N -1 1 292.285 3.624 20 0 CHADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1OC ZINC000328079278 1120152033 /nfs/dbraw/zinc/15/20/33/1120152033.db2.gz BFWKTBQJDLJSAI-UHFFFAOYSA-N -1 1 293.750 3.675 20 0 CHADMM Cc1ccc(-c2ccc(CN(CC(=O)[O-])C3CCC3)o2)cc1 ZINC000656100480 1120204244 /nfs/dbraw/zinc/20/42/44/1120204244.db2.gz NXVWSJQTKRDSJK-UHFFFAOYSA-N -1 1 299.370 3.694 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000618184785 1128901386 /nfs/dbraw/zinc/90/13/86/1128901386.db2.gz GHDXSBBHZQGMMG-CYBMUJFWSA-N -1 1 291.366 3.574 20 0 CHADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc(C)c1F ZINC001625894240 1120243676 /nfs/dbraw/zinc/24/36/76/1120243676.db2.gz UAFJHYXLYLZFOS-UHFFFAOYSA-N -1 1 295.260 3.679 20 0 CHADMM COc1ccc(C)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484189 1120259757 /nfs/dbraw/zinc/25/97/57/1120259757.db2.gz CVMYIKISLNRUEA-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM COCOc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214491642 1120327562 /nfs/dbraw/zinc/32/75/62/1120327562.db2.gz HLTOYJAHWMOCKF-UHFFFAOYSA-N -1 1 297.713 3.911 20 0 CHADMM O=C(N[C@@H]1CCCC12CCCCC2)c1ccc([O-])cc1F ZINC000312983050 1120380709 /nfs/dbraw/zinc/38/07/09/1120380709.db2.gz LBHAOGMMVVNUIM-OAHLLOKOSA-N -1 1 291.366 3.764 20 0 CHADMM O=C(/C=C/SCc1ccco1)Nc1c([O-])cccc1F ZINC000092551442 1120497301 /nfs/dbraw/zinc/49/73/01/1120497301.db2.gz SHBBNVKZQNYRBE-SOFGYWHQSA-N -1 1 293.319 3.510 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1 ZINC000049537158 1120860518 /nfs/dbraw/zinc/86/05/18/1120860518.db2.gz XNHZUYVRRBIKNS-UHFFFAOYSA-N -1 1 289.400 3.919 20 0 CHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000662046120 1120864079 /nfs/dbraw/zinc/86/40/79/1120864079.db2.gz BUHVUMZAFMBGRJ-GFCCVEGCSA-N -1 1 283.371 3.949 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cncc(C(F)(F)F)c1 ZINC001174745558 1121033997 /nfs/dbraw/zinc/03/39/97/1121033997.db2.gz TWXDXHIRZPYYFK-UHFFFAOYSA-N -1 1 290.191 3.828 20 0 CHADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001161551977 1121038856 /nfs/dbraw/zinc/03/88/56/1121038856.db2.gz BABNRXDBOLGTKS-STQMWFEESA-N -1 1 295.810 3.990 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc2ncccc21 ZINC001174909950 1121088882 /nfs/dbraw/zinc/08/88/82/1121088882.db2.gz ZJNUVWGRPKEDKF-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC(C2CCCC2)CC1 ZINC000674327079 1121118832 /nfs/dbraw/zinc/11/88/32/1121118832.db2.gz YQTPMWYSKPKXGF-UHFFFAOYSA-N -1 1 291.366 3.574 20 0 CHADMM COc1cc(Nc2c([O-])cc(F)cc2F)ccc1C ZINC001175015641 1121134575 /nfs/dbraw/zinc/13/45/75/1121134575.db2.gz IOXAEZDURWGJPL-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1C ZINC001175018375 1121136690 /nfs/dbraw/zinc/13/66/90/1121136690.db2.gz WDYWLSHHMKLZCS-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1c(F)ccc(F)c1F ZINC001175028772 1121149565 /nfs/dbraw/zinc/14/95/65/1121149565.db2.gz XKOSXFPNIFPZKK-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM CC(C)c1noc([N-][C@@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000172581579 1121156098 /nfs/dbraw/zinc/15/60/98/1121156098.db2.gz KAGDMPQSHPYFCK-KBPBESRZSA-N -1 1 287.363 3.525 20 0 CHADMM CCOc1cc(Nc2c([O-])cc(F)cc2F)ccc1F ZINC001175052091 1121160900 /nfs/dbraw/zinc/16/09/00/1121160900.db2.gz VXRIPRVBMLTNMS-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1C ZINC001175103001 1121166344 /nfs/dbraw/zinc/16/63/44/1121166344.db2.gz QWCUUMGNKIPITK-UHFFFAOYSA-N -1 1 277.270 3.925 20 0 CHADMM Cc1nsc([N-]c2cc(C(F)(F)F)ccc2F)n1 ZINC001175075552 1121173515 /nfs/dbraw/zinc/17/35/15/1121173515.db2.gz SGSNWBAHLNURMC-UHFFFAOYSA-N -1 1 277.246 3.748 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2[nH]ccc21 ZINC000070333883 1128969730 /nfs/dbraw/zinc/96/97/30/1128969730.db2.gz VQEPKWLSKCLBGX-UHFFFAOYSA-N -1 1 286.718 3.779 20 0 CHADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000085069734 1121174943 /nfs/dbraw/zinc/17/49/43/1121174943.db2.gz OIRXPYFIJLCRJI-JQWIXIFHSA-N -1 1 281.783 3.744 20 0 CHADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000773463694 1121194279 /nfs/dbraw/zinc/19/42/79/1121194279.db2.gz DXWJITCVBOYMGN-SOUVJXGZSA-N -1 1 273.376 3.703 20 0 CHADMM CC(C)[C@H](C)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630819190 1128971152 /nfs/dbraw/zinc/97/11/52/1128971152.db2.gz CUVCKZJHIMOPAG-NSHDSACASA-N -1 1 295.810 3.624 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1c1ccccc1 ZINC000436532927 1121228705 /nfs/dbraw/zinc/22/87/05/1121228705.db2.gz YKFCTEMQHSMXBG-KRWDZBQOSA-N -1 1 299.345 3.899 20 0 CHADMM CCOc1cccc(Nc2ccc(F)c(F)c2[O-])c1F ZINC001175241113 1121240803 /nfs/dbraw/zinc/24/08/03/1121240803.db2.gz UUXKXPSPOWMZTM-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(Cl)cc2)n1 ZINC000432664665 1121261084 /nfs/dbraw/zinc/26/10/84/1121261084.db2.gz GFGMFNZPJPKLOG-MRVPVSSYSA-N -1 1 296.779 3.703 20 0 CHADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F ZINC001175399280 1121299295 /nfs/dbraw/zinc/29/92/95/1121299295.db2.gz BGEPUCXNZVTODP-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000187433142 1121322042 /nfs/dbraw/zinc/32/20/42/1121322042.db2.gz IKZQFZKOXLNUIA-LRDDRELGSA-N -1 1 283.371 3.806 20 0 CHADMM Cc1nc(SCC2CC(F)(F)C2)[n-]c(=O)c1C1CC1 ZINC000631023802 1128978881 /nfs/dbraw/zinc/97/88/81/1128978881.db2.gz XQLDGEKLVFSZEO-UHFFFAOYSA-N -1 1 286.347 3.505 20 0 CHADMM CO[C@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)CC(C)C ZINC000631023379 1128979044 /nfs/dbraw/zinc/97/90/44/1128979044.db2.gz OYNKOMLGNIBMBX-LBPRGKRZSA-N -1 1 296.436 3.521 20 0 CHADMM Cc1nc(S[C@H]2C=CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023659 1128979467 /nfs/dbraw/zinc/97/94/67/1128979467.db2.gz CQLZSVPDLIFCRN-NSHDSACASA-N -1 1 262.378 3.569 20 0 CHADMM CC(C)c1ccc(C(=O)N2CCc3ccccc32)c([O-])c1 ZINC000051454470 1121372551 /nfs/dbraw/zinc/37/25/51/1121372551.db2.gz DGAOASIRGMNTCP-UHFFFAOYSA-N -1 1 281.355 3.719 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(CO)cc1 ZINC001175567210 1121388610 /nfs/dbraw/zinc/38/86/10/1121388610.db2.gz HRASJQVZEBFMLF-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM COc1cc(Nc2ccc3c(C)[nH]nc3c2)ccc1[S-] ZINC001175665816 1121428227 /nfs/dbraw/zinc/42/82/27/1121428227.db2.gz SJYIQERCKLSBQF-UHFFFAOYSA-N -1 1 285.372 3.912 20 0 CHADMM COc1cc(F)c([N-]c2nc(C(C)(C)C)ns2)c(F)c1 ZINC001175721697 1121439244 /nfs/dbraw/zinc/43/92/44/1121439244.db2.gz TWNBZXWNSDNIHO-UHFFFAOYSA-N -1 1 299.346 3.866 20 0 CHADMM Cc1ccc2cc(C(=O)Nc3c([O-])cccc3F)ccc2n1 ZINC000676539080 1121442515 /nfs/dbraw/zinc/44/25/15/1121442515.db2.gz IOCRUAHXPZZPLE-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM Cc1ccsc1CCCC(=O)Nc1c([O-])cccc1F ZINC000676698261 1121455827 /nfs/dbraw/zinc/45/58/27/1121455827.db2.gz SPKYFXQBYSZUCV-UHFFFAOYSA-N -1 1 293.363 3.863 20 0 CHADMM COc1cc([N-]c2nnc(-c3ccco3)o2)ccc1Cl ZINC001175770577 1121460383 /nfs/dbraw/zinc/46/03/83/1121460383.db2.gz ASOMMTXHFQGDBH-UHFFFAOYSA-N -1 1 291.694 3.735 20 0 CHADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1F ZINC001176094542 1121539517 /nfs/dbraw/zinc/53/95/17/1121539517.db2.gz JKYKFWWRJWMVBU-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM [O-]c1cc(NC=CCc2ccccc2)cc(F)c1F ZINC001176219766 1121576584 /nfs/dbraw/zinc/57/65/84/1121576584.db2.gz GMRGXCHULXZSGD-XBXARRHUSA-N -1 1 261.271 3.839 20 0 CHADMM CC(C)Oc1cccc(F)c1Nc1ncc(F)cc1[O-] ZINC001211775193 1121581900 /nfs/dbraw/zinc/58/19/00/1121581900.db2.gz IKTOXUCDKVRLSN-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM COc1cc(Cl)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001176344053 1121602732 /nfs/dbraw/zinc/60/27/32/1121602732.db2.gz YXZCCQMRLRCFRX-UHFFFAOYSA-N -1 1 267.716 3.599 20 0 CHADMM [O-]c1cc(Nc2c(F)cc(F)c(F)c2F)cc(F)c1F ZINC001176351287 1121612588 /nfs/dbraw/zinc/61/25/88/1121612588.db2.gz PNSWDJYVUHTOPF-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM CC(C)(C)n1cc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176663492 1121669722 /nfs/dbraw/zinc/66/97/22/1121669722.db2.gz GZBZFEQDDVALRC-UHFFFAOYSA-N -1 1 285.269 3.505 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)COC3)c1F ZINC001176669834 1121671641 /nfs/dbraw/zinc/67/16/41/1121671641.db2.gz LRJBFWAVIJJDIZ-UHFFFAOYSA-N -1 1 281.233 3.583 20 0 CHADMM COc1ccc(C)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669840 1121671911 /nfs/dbraw/zinc/67/19/11/1121671911.db2.gz MAOYTGPLLCDCTM-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM COCc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671000 1121672225 /nfs/dbraw/zinc/67/22/25/1121672225.db2.gz QCLNKHKFQRSXPQ-UHFFFAOYSA-N -1 1 283.249 3.700 20 0 CHADMM COc1cc(F)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673716 1121672827 /nfs/dbraw/zinc/67/28/27/1121672827.db2.gz XSDGHGUQVOTAAH-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)c(F)c2F)c1F ZINC001176671974 1121673522 /nfs/dbraw/zinc/67/35/22/1121673522.db2.gz QLNJFPDXMLRGSR-UHFFFAOYSA-N -1 1 293.166 3.970 20 0 CHADMM Cc1ccnc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663112 1121679106 /nfs/dbraw/zinc/67/91/06/1121679106.db2.gz BEWNDZICTJVYDL-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM O=C(Nc1ccc2ccccc2c1)c1ccc(O)cc1[O-] ZINC000192638661 1129022079 /nfs/dbraw/zinc/02/20/79/1129022079.db2.gz SGGVRIAUVSCYBQ-UHFFFAOYSA-N -1 1 279.295 3.503 20 0 CHADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)[C@H]1c1ccccc1 ZINC001180141595 1121951140 /nfs/dbraw/zinc/95/11/40/1121951140.db2.gz GWPDBBHYRZYHNL-PIGZYNQJSA-N -1 1 289.325 3.863 20 0 CHADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822388712 1121953716 /nfs/dbraw/zinc/95/37/16/1121953716.db2.gz WOUIQFPRRKUJIL-NEPJUHHUSA-N -1 1 299.370 3.512 20 0 CHADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000822698866 1121969064 /nfs/dbraw/zinc/96/90/64/1121969064.db2.gz DJWOMNBVZYLNSV-BZNIZROVSA-N -1 1 299.370 3.512 20 0 CHADMM CCOc1ccccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962221 1121971691 /nfs/dbraw/zinc/97/16/91/1121971691.db2.gz IXGHPZLVNRUJOF-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM COc1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022034 1122081570 /nfs/dbraw/zinc/08/15/70/1122081570.db2.gz DHPJDMJVMSWBIF-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001185255482 1122329641 /nfs/dbraw/zinc/32/96/41/1122329641.db2.gz PSKYTIBBJCCLJJ-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CCOc1cc(Nc2c(F)ccc([O-])c2Cl)ccn1 ZINC001250228678 1122375194 /nfs/dbraw/zinc/37/51/94/1122375194.db2.gz KBXZVWQQBCJPAV-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Nc1cccc2cccc(NC(=O)c3ccc([O-])c(F)c3)c12 ZINC001186226908 1122380248 /nfs/dbraw/zinc/38/02/48/1122380248.db2.gz SXVJVJQXBQDBHY-UHFFFAOYSA-N -1 1 296.301 3.519 20 0 CHADMM Cc1ccnc2cc(NC(=O)c3ccc([O-])cc3F)ccc12 ZINC001186328462 1122383137 /nfs/dbraw/zinc/38/31/37/1122383137.db2.gz COQFBSXFDAVPAE-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(Cl)ncc1[O-])C1CCCCC1 ZINC001186314581 1122383980 /nfs/dbraw/zinc/38/39/80/1122383980.db2.gz NGTLKJFQSPTELO-SECBINFHSA-N -1 1 297.786 3.531 20 0 CHADMM Cc1cc(N)c(F)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250235890 1122384991 /nfs/dbraw/zinc/38/49/91/1122384991.db2.gz CMJVLLOUOHEHRH-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001186347361 1122388694 /nfs/dbraw/zinc/38/86/94/1122388694.db2.gz CBONYKWHWOMPOP-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)c([O-])c(F)c1)C1CCCCC1 ZINC001186395203 1122389909 /nfs/dbraw/zinc/38/99/09/1122389909.db2.gz UUFQDKRJKUSXEZ-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM Cc1c(Cl)cccc1Oc1cc(Cl)nc(=O)[n-]1 ZINC001187247640 1122423922 /nfs/dbraw/zinc/42/39/22/1122423922.db2.gz CUTLMSRLCRIGTG-UHFFFAOYSA-N -1 1 271.103 3.590 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001189024470 1122483591 /nfs/dbraw/zinc/48/35/91/1122483591.db2.gz VEGQYYFFSPTPQJ-UHFFFAOYSA-N -1 1 295.701 3.532 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1c([O-])cccc1F ZINC001189052448 1122487333 /nfs/dbraw/zinc/48/73/33/1122487333.db2.gz ZEDWJLWNONJCFL-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CC(C)(C)n1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000339328836 1122550332 /nfs/dbraw/zinc/55/03/32/1122550332.db2.gz SXKXUCCOFMKRRB-UHFFFAOYSA-N -1 1 279.771 3.609 20 0 CHADMM CCCN(CC1CCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000436551609 1122559924 /nfs/dbraw/zinc/55/99/24/1122559924.db2.gz PQGUVVKEAMRDBL-UHFFFAOYSA-N -1 1 293.382 3.964 20 0 CHADMM CC[C@H](C)[C@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436565428 1122561982 /nfs/dbraw/zinc/56/19/82/1122561982.db2.gz JNDBWLTWWSQOHB-QWRGUYRKSA-N -1 1 279.355 3.571 20 0 CHADMM CC1(C2CC2)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436613041 1122565520 /nfs/dbraw/zinc/56/55/20/1122565520.db2.gz ZZGYGAOUSMSVMV-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM C[C@H](C1CCCCC1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436682121 1122571722 /nfs/dbraw/zinc/57/17/22/1122571722.db2.gz PTWVLLLWULDZRD-LLVKDONJSA-N -1 1 279.355 3.572 20 0 CHADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3[O-])C2)C1 ZINC000436707715 1122573518 /nfs/dbraw/zinc/57/35/18/1122573518.db2.gz VSTWSFVOOVOEQC-BDJLRTHQSA-N -1 1 293.794 3.698 20 0 CHADMM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(Cl)ccc3[O-])C2)C1 ZINC000436705537 1122573880 /nfs/dbraw/zinc/57/38/80/1122573880.db2.gz PCHXTPSJPLQVOV-ZBEGNZNMSA-N -1 1 293.794 3.698 20 0 CHADMM CC1(C)CCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436854447 1122587106 /nfs/dbraw/zinc/58/71/06/1122587106.db2.gz SIRRYLGEGJZANA-UHFFFAOYSA-N -1 1 281.355 3.720 20 0 CHADMM CC[C@@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436867947 1122589016 /nfs/dbraw/zinc/58/90/16/1122589016.db2.gz GITDMXAFEZFCSR-MRVPVSSYSA-N -1 1 266.728 3.684 20 0 CHADMM C[C@@H]1CCC[C@H]1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436874029 1122590446 /nfs/dbraw/zinc/59/04/46/1122590446.db2.gz PBXJYQNGXVARSH-ZJUUUORDSA-N -1 1 276.311 3.560 20 0 CHADMM CC(C)C[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436875609 1122590453 /nfs/dbraw/zinc/59/04/53/1122590453.db2.gz UZXXWSFBNKTKBN-SECBINFHSA-N -1 1 264.300 3.731 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccoc3C3CC3)n2)cc1F ZINC000436879355 1122591670 /nfs/dbraw/zinc/59/16/70/1122591670.db2.gz MMAHMWLONKXBBM-UHFFFAOYSA-N -1 1 286.262 3.719 20 0 CHADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436920825 1122594886 /nfs/dbraw/zinc/59/48/86/1122594886.db2.gz QWJCVMRZNKYQCW-LLVKDONJSA-N -1 1 295.810 3.944 20 0 CHADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000436965602 1122597431 /nfs/dbraw/zinc/59/74/31/1122597431.db2.gz KZCCHGFAAXTLSX-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436977785 1122600119 /nfs/dbraw/zinc/60/01/19/1122600119.db2.gz FOWFJZMJFYBZOF-MRVPVSSYSA-N -1 1 295.688 3.506 20 0 CHADMM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436977787 1122600381 /nfs/dbraw/zinc/60/03/81/1122600381.db2.gz FOWFJZMJFYBZOF-QMMMGPOBSA-N -1 1 295.688 3.506 20 0 CHADMM Cc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001250470320 1122644432 /nfs/dbraw/zinc/64/44/32/1122644432.db2.gz MVAMHIMGCMMHSU-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192678885 1122655005 /nfs/dbraw/zinc/65/50/05/1122655005.db2.gz NCOANXZFXMTLCL-UHFFFAOYSA-N -1 1 285.334 3.615 20 0 CHADMM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001250488015 1122656444 /nfs/dbraw/zinc/65/64/44/1122656444.db2.gz MNHPPFHZJLGHGU-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM CC(C)[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000438913481 1122741214 /nfs/dbraw/zinc/74/12/14/1122741214.db2.gz BGQAEUMMTJKDBN-LLVKDONJSA-N -1 1 297.345 3.569 20 0 CHADMM CCCCCCOC(=O)Nc1c([O-])cccc1F ZINC001194181220 1122754638 /nfs/dbraw/zinc/75/46/38/1122754638.db2.gz OHQYJCDGJTYRNS-UHFFFAOYSA-N -1 1 255.289 3.660 20 0 CHADMM CC(C)c1ccc(C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000729434040 1122778753 /nfs/dbraw/zinc/77/87/53/1122778753.db2.gz WSFFDVOLGDKKOJ-UHFFFAOYSA-N -1 1 273.298 3.724 20 0 CHADMM CCC(CC)COC(=O)Nc1ccc(F)cc1[O-] ZINC001194707434 1122795913 /nfs/dbraw/zinc/79/59/13/1122795913.db2.gz WEPSVOJVIACUSN-UHFFFAOYSA-N -1 1 255.289 3.516 20 0 CHADMM CC[C@@H](C)COC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001194807159 1122806874 /nfs/dbraw/zinc/80/68/74/1122806874.db2.gz OYYAFIWGFWECTM-MRVPVSSYSA-N -1 1 257.717 3.640 20 0 CHADMM CSc1ccc([O-])c(-c2nc(CCC3CC3)no2)c1 ZINC000664817800 1122860301 /nfs/dbraw/zinc/86/03/01/1122860301.db2.gz KYNBWDKMKGCRPK-UHFFFAOYSA-N -1 1 276.361 3.507 20 0 CHADMM CCN(C(=O)c1cc(Cl)ccc1[O-])[C@@H](C)C(C)C ZINC000519560887 1122880724 /nfs/dbraw/zinc/88/07/24/1122880724.db2.gz MMAFSTUFIHSJNE-JTQLQIEISA-N -1 1 269.772 3.552 20 0 CHADMM Cc1cccc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c21 ZINC000154395072 1129086771 /nfs/dbraw/zinc/08/67/71/1129086771.db2.gz QXGSZMKWJLXSHD-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1ccccc1NC(=S)Nc1ccc(F)cc1[O-] ZINC001198420340 1122990741 /nfs/dbraw/zinc/99/07/41/1122990741.db2.gz BIICFPNFLLBADO-UHFFFAOYSA-N -1 1 276.336 3.649 20 0 CHADMM Cc1cccc(NC(=S)Nc2cc(F)c([O-])cc2F)c1 ZINC001198689991 1123004366 /nfs/dbraw/zinc/00/43/66/1123004366.db2.gz JNKBFHWSNCQYJP-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM CCc1nc(SCc2ccc(F)cc2F)[n-]c(=O)c1C ZINC000519620034 1123010018 /nfs/dbraw/zinc/01/00/18/1123010018.db2.gz XQIIHHKYIBLLIA-UHFFFAOYSA-N -1 1 296.342 3.624 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@H]2CCCc3ccccc32)n1 ZINC000188100236 1123042843 /nfs/dbraw/zinc/04/28/43/1123042843.db2.gz ZTJYSMWEUAMPGA-AWEZNQCLSA-N -1 1 286.400 3.502 20 0 CHADMM [O-]c1cc(F)ccc1NC(=S)Nc1ccc(F)cc1F ZINC001200930508 1123064014 /nfs/dbraw/zinc/06/40/14/1123064014.db2.gz VTIMYTVQHUXYJZ-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM COc1nc(C(C)C)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001201441921 1123105499 /nfs/dbraw/zinc/10/54/99/1123105499.db2.gz UCYCGMJNLUOMGP-UHFFFAOYSA-N -1 1 294.301 3.941 20 0 CHADMM O=c1[nH]c2ccccc2cc1Nc1ccc(F)c(F)c1[O-] ZINC001201761461 1123147683 /nfs/dbraw/zinc/14/76/83/1123147683.db2.gz SUIBNCGISWPBRZ-UHFFFAOYSA-N -1 1 288.253 3.668 20 0 CHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1ccccc1Cl ZINC001202063751 1123170981 /nfs/dbraw/zinc/17/09/81/1123170981.db2.gz BKNSCHGYEVNMHG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCOc1ccccc1NC(=O)Nc1c([O-])cccc1F ZINC001202144985 1123178273 /nfs/dbraw/zinc/17/82/73/1123178273.db2.gz DYKOYGUZKOXVPN-UHFFFAOYSA-N -1 1 290.294 3.574 20 0 CHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC[C@@H]1C ZINC000153744079 1123179114 /nfs/dbraw/zinc/17/91/14/1123179114.db2.gz ITWARJXZURCKRQ-STQMWFEESA-N -1 1 283.371 3.664 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001202209632 1123187662 /nfs/dbraw/zinc/18/76/62/1123187662.db2.gz QHPDAUMRTIZWOQ-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001202247716 1123193933 /nfs/dbraw/zinc/19/39/33/1123193933.db2.gz ZNRLEAXKTOJMGG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001202314907 1123198232 /nfs/dbraw/zinc/19/82/32/1123198232.db2.gz PCBLJJXOJLSIGI-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC12CCCCC2 ZINC000335019415 1123291298 /nfs/dbraw/zinc/29/12/98/1123291298.db2.gz XEHNXRTXFQKSBA-SECBINFHSA-N -1 1 281.302 3.579 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H](F)C1 ZINC000335094252 1123296930 /nfs/dbraw/zinc/29/69/30/1123296930.db2.gz GAMAVDWVOQGCDX-BDAKNGLRSA-N -1 1 271.719 3.512 20 0 CHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(C)c1Cl ZINC000442226613 1123307604 /nfs/dbraw/zinc/30/76/04/1123307604.db2.gz BGWHBJGZUOANQJ-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC=CCC1 ZINC000885678413 1123482918 /nfs/dbraw/zinc/48/29/18/1123482918.db2.gz OAWJYLHKAGGLKX-CQSZACIVSA-N -1 1 283.730 3.870 20 0 CHADMM [O-]c1c(F)cccc1NC(=S)Nc1ccc(F)c(F)c1 ZINC001200698920 1123555393 /nfs/dbraw/zinc/55/53/93/1123555393.db2.gz FNACGAQCDVMPHL-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896780385 1123623440 /nfs/dbraw/zinc/62/34/40/1123623440.db2.gz CRHZWALXJBCYFO-WCQYABFASA-N -1 1 299.370 3.512 20 0 CHADMM CCOc1cc(C(=O)NCC(C)(C)CC)cc(Cl)c1[O-] ZINC000192226778 1123636871 /nfs/dbraw/zinc/63/68/71/1123636871.db2.gz DGNROVPCBHWSBS-UHFFFAOYSA-N -1 1 299.798 3.610 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccoc1C1CC1 ZINC000335911455 1123655162 /nfs/dbraw/zinc/65/51/62/1123655162.db2.gz BUFYFUYXXXNFCT-UHFFFAOYSA-N -1 1 277.707 3.768 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858485883 1123657715 /nfs/dbraw/zinc/65/77/15/1123657715.db2.gz IIKLMUNIZRXUTH-GHMZBOCLSA-N -1 1 283.803 3.852 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2cccnc21 ZINC000082192958 1129141257 /nfs/dbraw/zinc/14/12/57/1129141257.db2.gz SBZZAIDSXSZFRN-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1C ZINC000082192732 1129141444 /nfs/dbraw/zinc/14/14/44/1129141444.db2.gz SBQSNTUZCFSXEE-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2cc[nH]c2c1 ZINC000082192933 1129141558 /nfs/dbraw/zinc/14/15/58/1129141558.db2.gz LVYIOIQVHSRJJJ-UHFFFAOYSA-N -1 1 286.718 3.779 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665677167 1123927891 /nfs/dbraw/zinc/92/78/91/1123927891.db2.gz PYQINRZETHEPFE-INIZCTEOSA-N -1 1 295.382 3.808 20 0 CHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1c([O-])cccc1F ZINC000665783940 1124009605 /nfs/dbraw/zinc/00/96/05/1124009605.db2.gz GJWRGVOTPUYZPO-CQSZACIVSA-N -1 1 295.354 3.598 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3)n2)c(Cl)c1 ZINC000445446564 1124083658 /nfs/dbraw/zinc/08/36/58/1124083658.db2.gz MHGIAORFXSWBOS-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC(C)c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000445455118 1124084280 /nfs/dbraw/zinc/08/42/80/1124084280.db2.gz BYQITVWCUOKJLT-UHFFFAOYSA-N -1 1 299.305 3.767 20 0 CHADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445470765 1124085042 /nfs/dbraw/zinc/08/50/42/1124085042.db2.gz FYCATBJBNUFSMD-FNORWQNLSA-N -1 1 286.262 3.653 20 0 CHADMM Cc1ccccc1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445459596 1124085909 /nfs/dbraw/zinc/08/59/09/1124085909.db2.gz DKLQRIHERXZDBM-UHFFFAOYSA-N -1 1 298.317 3.675 20 0 CHADMM CCC(=Cc1nc(-c2ccc([O-])c(F)c2)no1)CC ZINC000445481095 1124086104 /nfs/dbraw/zinc/08/61/04/1124086104.db2.gz OGSTZJBRAAFTIQ-UHFFFAOYSA-N -1 1 262.284 3.785 20 0 CHADMM C[C@H](c1cccs1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479653 1124086628 /nfs/dbraw/zinc/08/66/28/1124086628.db2.gz KCHPVVLSVZMZKD-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM COC(=O)c1nc2cc(-c3ccc(C4CC4)cc3)ccc2[n-]1 ZINC001238833954 1131252507 /nfs/dbraw/zinc/25/25/07/1131252507.db2.gz NPEUSETUODCCRX-UHFFFAOYSA-N -1 1 292.338 3.894 20 0 CHADMM COC(=O)c1nc2ccc(-c3ccc(C4CC4)cc3)cc2[n-]1 ZINC001238833954 1131252510 /nfs/dbraw/zinc/25/25/10/1131252510.db2.gz NPEUSETUODCCRX-UHFFFAOYSA-N -1 1 292.338 3.894 20 0 CHADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871948751 1124654362 /nfs/dbraw/zinc/65/43/62/1124654362.db2.gz BFAJDAMBJPVZLY-TZMCWYRMSA-N -1 1 270.376 3.772 20 0 CHADMM CC(C)[C@@H]1CCc2[n-]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC000871964322 1124655472 /nfs/dbraw/zinc/65/54/72/1124655472.db2.gz WOFGIGWZMCFYLP-JHJVBQTASA-N -1 1 298.377 3.692 20 0 CHADMM O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCCCCC2 ZINC000871964209 1124655546 /nfs/dbraw/zinc/65/55/46/1124655546.db2.gz YYKZJMOAUUIYQQ-NEPJUHHUSA-N -1 1 284.350 3.590 20 0 CHADMM O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCCCCC2 ZINC000871964211 1124656015 /nfs/dbraw/zinc/65/60/15/1124656015.db2.gz YYKZJMOAUUIYQQ-RYUDHWBXSA-N -1 1 284.350 3.590 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC000820403286 1131285004 /nfs/dbraw/zinc/28/50/04/1131285004.db2.gz TYHOMMSGDRCMHQ-UHFFFAOYSA-N -1 1 291.395 3.525 20 0 CHADMM O=C(Nc1ccc(Cl)cc1Cl)c1ccc(O)cc1[O-] ZINC000219966728 1131310263 /nfs/dbraw/zinc/31/02/63/1131310263.db2.gz CSOMCPQDZIOYSF-UHFFFAOYSA-N -1 1 298.125 3.657 20 0 CHADMM Cc1ccccc1-c1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874927187 1124868477 /nfs/dbraw/zinc/86/84/77/1124868477.db2.gz DMPTWNIDFGBHHO-XNTDXEJSSA-N -1 1 295.363 3.986 20 0 CHADMM COc1cnc(C=Cc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000821008527 1131318343 /nfs/dbraw/zinc/31/83/43/1131318343.db2.gz QLVYWHFJWPGEFX-HYXAFXHYSA-N -1 1 297.141 3.668 20 0 CHADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC001142234038 1125027222 /nfs/dbraw/zinc/02/72/22/1125027222.db2.gz PHRMSFBCWVVSTH-OCCSQVGLSA-N -1 1 293.382 3.868 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007095 1125109548 /nfs/dbraw/zinc/10/95/48/1125109548.db2.gz WINDJJXTHPAOOH-NXEZZACHSA-N -1 1 291.347 3.643 20 0 CHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530005607 1125113063 /nfs/dbraw/zinc/11/30/63/1125113063.db2.gz MYEPVWYLLFOTMQ-LLVKDONJSA-N -1 1 295.354 3.598 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccc(C)cc3)ccc2[n-]1 ZINC001239480390 1131338694 /nfs/dbraw/zinc/33/86/94/1131338694.db2.gz DWYXZNMXPUAGRD-UHFFFAOYSA-N -1 1 280.327 3.715 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccc(C)cc3)cc2[n-]1 ZINC001239480390 1131338700 /nfs/dbraw/zinc/33/87/00/1131338700.db2.gz DWYXZNMXPUAGRD-UHFFFAOYSA-N -1 1 280.327 3.715 20 0 CHADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC001137190964 1125415447 /nfs/dbraw/zinc/41/54/47/1125415447.db2.gz AGCXYTWFRIOZIO-JQWIXIFHSA-N -1 1 295.810 3.990 20 0 CHADMM CC(C)N(Cc1cccc([O-])c1Cl)CC(F)F ZINC000294232740 1129214432 /nfs/dbraw/zinc/21/44/32/1129214432.db2.gz MKXCAFJWNHQCSU-UHFFFAOYSA-N -1 1 263.715 3.521 20 0 CHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c2cccnc12 ZINC000622292880 1129245499 /nfs/dbraw/zinc/24/54/99/1129245499.db2.gz OPEJNEVTPGJIMG-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(/C=C/C=C/c1ccccc1)c1cc(O)ccc1[O-] ZINC000038241654 1129364639 /nfs/dbraw/zinc/36/46/39/1129364639.db2.gz SCGWMYSILISVPD-KBXRYBNXSA-N -1 1 266.296 3.550 20 0 CHADMM [O-]c1cc(Nc2ccc(CO)c(Cl)c2)cc(F)c1F ZINC001212893490 1129378369 /nfs/dbraw/zinc/37/83/69/1129378369.db2.gz HAOVQTLQNJNFDK-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM CCn1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1=O ZINC001212915539 1129394313 /nfs/dbraw/zinc/39/43/13/1129394313.db2.gz NNVMROOOCCATHH-UHFFFAOYSA-N -1 1 299.157 3.624 20 0 CHADMM CC1(C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093460345 1129423880 /nfs/dbraw/zinc/42/38/80/1129423880.db2.gz NTUGKXOKWIEKCT-UHFFFAOYSA-N -1 1 260.164 3.683 20 0 CHADMM CC(C)[S@](=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241120764 1129457998 /nfs/dbraw/zinc/45/79/98/1129457998.db2.gz KBHKZXRMUAQTKH-FQEVSTJZSA-N -1 1 296.338 3.853 20 0 CHADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241121628 1129459313 /nfs/dbraw/zinc/45/93/13/1129459313.db2.gz OSBBHLZTPSCROV-UHFFFAOYSA-N -1 1 280.270 3.745 20 0 CHADMM CCCC[C@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001137546744 1131377404 /nfs/dbraw/zinc/37/74/04/1131377404.db2.gz ZNZGSGIHYZODMV-AWEZNQCLSA-N -1 1 279.355 3.620 20 0 CHADMM C/C(=C\C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000743416948 1129523823 /nfs/dbraw/zinc/52/38/23/1129523823.db2.gz UJOIDCVIPDDGSB-ZHACJKMWSA-N -1 1 271.291 3.573 20 0 CHADMM C/C(=C\C(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000743415579 1129523941 /nfs/dbraw/zinc/52/39/41/1129523941.db2.gz HDSCSYVUAJXWJI-CSKARUKUSA-N -1 1 289.281 3.712 20 0 CHADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c([O-])cccc1Cl ZINC000743655534 1129533136 /nfs/dbraw/zinc/53/31/36/1129533136.db2.gz SXNPMTQWPBKVNO-YPMHNXCESA-N -1 1 293.794 3.744 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000648706006 1129623309 /nfs/dbraw/zinc/62/33/09/1129623309.db2.gz WYADLXPGBXAREH-CQSZACIVSA-N -1 1 293.794 3.840 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])c1coc(C2CCC2)n1 ZINC000192826611 1129644253 /nfs/dbraw/zinc/64/42/53/1129644253.db2.gz WBYOHKCMQYVXGP-UHFFFAOYSA-N -1 1 292.722 3.553 20 0 CHADMM CC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1O ZINC001214561245 1129650905 /nfs/dbraw/zinc/65/09/05/1129650905.db2.gz BOLDPPMDGSIWRB-UHFFFAOYSA-N -1 1 295.697 3.837 20 0 CHADMM Oc1ccc(C(F)(F)F)cc1-c1nccc2[nH]ccc21 ZINC001242126456 1129659400 /nfs/dbraw/zinc/65/94/00/1129659400.db2.gz LWBOGJWCSUIPLD-UHFFFAOYSA-N -1 1 278.233 3.954 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2C)n1 ZINC000767056943 1129774108 /nfs/dbraw/zinc/77/41/08/1129774108.db2.gz BYHWLQUDZQMFJV-UHFFFAOYSA-N -1 1 294.807 3.999 20 0 CHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC001137674268 1131397194 /nfs/dbraw/zinc/39/71/94/1131397194.db2.gz MZNKLEMAXBJOOX-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000767303519 1129784964 /nfs/dbraw/zinc/78/49/64/1129784964.db2.gz ZXQALOVVNFSRLA-UHFFFAOYSA-N -1 1 273.307 3.506 20 0 CHADMM [O-]c1c(Cl)cccc1-c1cccc2cncnc21 ZINC001242366988 1129798038 /nfs/dbraw/zinc/79/80/38/1129798038.db2.gz UVKOUHLUYDYCTE-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM Cn1ccc2cc(-c3cccc(Cl)c3[O-])ccc2c1=O ZINC001242366975 1129798255 /nfs/dbraw/zinc/79/82/55/1129798255.db2.gz USMOWDWOXXFPGP-UHFFFAOYSA-N -1 1 285.730 3.565 20 0 CHADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1cccc(Cl)c1 ZINC000742036358 1129806411 /nfs/dbraw/zinc/80/64/11/1129806411.db2.gz GECYJUIKAFXQDO-LBPRGKRZSA-N -1 1 289.762 3.692 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1C1CCCC1 ZINC000769715445 1129921446 /nfs/dbraw/zinc/92/14/46/1129921446.db2.gz ZCTAYUMJXMJCRW-CYBMUJFWSA-N -1 1 293.794 3.840 20 0 CHADMM O=C(/C=C/Sc1ccccc1)Nc1c([O-])cccc1F ZINC000770861147 1129960014 /nfs/dbraw/zinc/96/00/14/1129960014.db2.gz HJTOSQRYVWPGPG-MDZDMXLPSA-N -1 1 289.331 3.776 20 0 CHADMM CC[C@@](C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000902236716 1129992505 /nfs/dbraw/zinc/99/25/05/1129992505.db2.gz WFTZTYCFZMUKDZ-IENJSVCTSA-N -1 1 299.370 3.792 20 0 CHADMM CC[C@](C)(NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000902338158 1130001106 /nfs/dbraw/zinc/00/11/06/1130001106.db2.gz ZRMDZGPNKPDSJV-INIZCTEOSA-N -1 1 291.322 3.532 20 0 CHADMM [O-]c1cccc(-c2nncc3cc(F)ccc32)c1Cl ZINC001242798727 1130052094 /nfs/dbraw/zinc/05/20/94/1130052094.db2.gz XBDMQUKIBGWMHE-UHFFFAOYSA-N -1 1 274.682 3.795 20 0 CHADMM Cc1cc(CN[C@H]2CCCc3c(C)cccc32)oc1C(=O)[O-] ZINC000902465398 1130013935 /nfs/dbraw/zinc/01/39/35/1130013935.db2.gz LEEANOAKUAYBFF-INIZCTEOSA-N -1 1 299.370 3.762 20 0 CHADMM [O-]c1cccc(-c2ccc(-c3ccncc3)nn2)c1Cl ZINC001242801867 1130056418 /nfs/dbraw/zinc/05/64/18/1130056418.db2.gz ZTAQWVXTPRVFKH-UHFFFAOYSA-N -1 1 283.718 3.565 20 0 CHADMM CC(=O)Nc1ccccc1-c1cccc([O-])c1Cl ZINC001242801333 1130057669 /nfs/dbraw/zinc/05/76/69/1130057669.db2.gz YOHHFLCBTGWRRH-UHFFFAOYSA-N -1 1 261.708 3.671 20 0 CHADMM Cc1cccc(C(=O)Nc2c([O-])cccc2F)c1Cl ZINC000677293289 1130299409 /nfs/dbraw/zinc/29/94/09/1130299409.db2.gz GWPQNNLELQCYBO-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM COc1c(F)cc(F)cc1-c1ccc([O-])c(F)c1F ZINC001243342044 1130388805 /nfs/dbraw/zinc/38/88/05/1130388805.db2.gz HTNZICUPGQTJPE-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM Cc1cc(-c2cc(F)ccc2[O-])ncc1C(F)(F)F ZINC001240693176 1130421475 /nfs/dbraw/zinc/42/14/75/1130421475.db2.gz FNUYZWFVFHRSEU-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncnc2c3ccccc3oc21 ZINC001240693773 1130421234 /nfs/dbraw/zinc/42/12/34/1130421234.db2.gz YSVIKAJVBNSTNO-UHFFFAOYSA-N -1 1 280.258 3.888 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(C(F)(F)F)ccc1F ZINC001240693349 1130421293 /nfs/dbraw/zinc/42/12/93/1130421293.db2.gz OBNMDONYIOVYSI-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccnc(-c2ccccc2)n1 ZINC001240693769 1130421403 /nfs/dbraw/zinc/42/14/03/1130421403.db2.gz YKTWRWZODJMYIE-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2ccccc2)n1 ZINC001240694440 1130422358 /nfs/dbraw/zinc/42/23/58/1130422358.db2.gz SRQLRMHJGPYVJZ-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM COc1cccc2c1ccnc2-c1cc(F)ccc1[O-] ZINC001240695256 1130422544 /nfs/dbraw/zinc/42/25/44/1130422544.db2.gz GDLXBNDLUBVSPG-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccnc(CCc2ccccc2)n1 ZINC001240696845 1130423227 /nfs/dbraw/zinc/42/32/27/1130423227.db2.gz YQQYHEGBRCSUTF-UHFFFAOYSA-N -1 1 294.329 3.774 20 0 CHADMM Cc1cc2ncnc(-c3cc(F)ccc3[O-])c2cc1C ZINC001240696507 1130423644 /nfs/dbraw/zinc/42/36/44/1130423644.db2.gz QJIUXQASGSKTKN-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM COc1cccc(-c2ccc(-c3ccc([O-])c(F)c3)nn2)c1 ZINC001240783260 1130468319 /nfs/dbraw/zinc/46/83/19/1130468319.db2.gz RJYBMNDDNIYPQI-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM CSc1nc(-c2ccc([O-])c(F)c2)cc(C(F)F)n1 ZINC001240785822 1130470187 /nfs/dbraw/zinc/47/01/87/1130470187.db2.gz GAMQKNUVQAXFNF-UHFFFAOYSA-N -1 1 286.278 3.648 20 0 CHADMM FC(F)(F)[C@H](Oc1nc2sccc2[n-]1)c1cccnc1 ZINC001234848323 1130680982 /nfs/dbraw/zinc/68/09/82/1130680982.db2.gz PJWSNXVLNGGRLR-SECBINFHSA-N -1 1 299.277 3.702 20 0 CHADMM C[C@@H](Oc1nc2sccc2[n-]1)c1cccs1 ZINC001234852062 1130682932 /nfs/dbraw/zinc/68/29/32/1130682932.db2.gz QUYFMJQPMQQYTA-SSDOTTSWSA-N -1 1 250.348 3.826 20 0 CHADMM [O-]c1ccc(Cl)cc1-c1ccc2ccncc2n1 ZINC001245049690 1130774191 /nfs/dbraw/zinc/77/41/91/1130774191.db2.gz UNVFMSKPAGMUDO-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CCCC2(CCCC2)C1 ZINC000783845425 1130857796 /nfs/dbraw/zinc/85/77/96/1130857796.db2.gz GTBCPSZEOOVYTB-UHFFFAOYSA-N -1 1 293.794 3.842 20 0 CHADMM Cc1ccc(F)c(-c2ccnc(C3CCCC3)n2)c1[O-] ZINC001236390795 1130924864 /nfs/dbraw/zinc/92/48/64/1130924864.db2.gz LDGMTBLNHJLZOZ-UHFFFAOYSA-N -1 1 272.323 3.954 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3cccc(C)c32)c1[O-] ZINC001236392305 1130926344 /nfs/dbraw/zinc/92/63/44/1130926344.db2.gz NSTJYULAVIYWJZ-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2OC(C)C)c1[O-] ZINC001236393084 1130926573 /nfs/dbraw/zinc/92/65/73/1130926573.db2.gz SZDABYCKYGTUKI-UHFFFAOYSA-N -1 1 261.296 3.689 20 0 CHADMM Nc1nc(Cl)ccc1Nc1cc(Cl)c([O-])cc1F ZINC001159380084 1130999570 /nfs/dbraw/zinc/99/95/70/1130999570.db2.gz RGWSPGMFFIKJOF-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM CCCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000798155078 1131026401 /nfs/dbraw/zinc/02/64/01/1131026401.db2.gz YCVWUAXDFHKWEV-UHFFFAOYSA-N -1 1 291.297 3.875 20 0 CHADMM C[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2F)[C@@H](C)C1 ZINC001238150901 1131174540 /nfs/dbraw/zinc/17/45/40/1131174540.db2.gz DFDCLZVUHBHTSH-ZJUUUORDSA-N -1 1 271.763 3.805 20 0 CHADMM C[C@H]1CCN(Cc2cc(Cl)c([O-])cc2F)[C@@H](C)C1 ZINC001238150899 1131175037 /nfs/dbraw/zinc/17/50/37/1131175037.db2.gz DFDCLZVUHBHTSH-UWVGGRQHSA-N -1 1 271.763 3.805 20 0 CHADMM Cc1ccc(C)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245826980 1131196678 /nfs/dbraw/zinc/19/66/78/1131196678.db2.gz JUBAPCMNDKSWDU-UHFFFAOYSA-N -1 1 251.688 3.864 20 0 CHADMM CC(C)C[C@H]1CCCCCN1C(=O)c1cccc([O-])c1F ZINC001136860512 1131464879 /nfs/dbraw/zinc/46/48/79/1131464879.db2.gz TVRVDRGQCILUCB-CYBMUJFWSA-N -1 1 293.382 3.962 20 0 CHADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCCC1 ZINC001138124823 1131469603 /nfs/dbraw/zinc/46/96/03/1131469603.db2.gz ZOUKFQXVKNRXRR-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)CC1 ZINC001138507708 1131514482 /nfs/dbraw/zinc/51/44/82/1131514482.db2.gz LIMVOTKLQKCHRP-STQMWFEESA-N -1 1 293.382 3.866 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001202838424 1131519109 /nfs/dbraw/zinc/51/91/09/1131519109.db2.gz LPBPWNPWYWOCQR-UHFFFAOYSA-N -1 1 291.738 3.701 20 0 CHADMM C[C@H]1CN(Cc2c(F)cc([O-])cc2F)Cc2ccccc21 ZINC001144542144 1131653836 /nfs/dbraw/zinc/65/38/36/1131653836.db2.gz PWURMINNCQIWCW-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM [O-]c1cc(F)c(CN2Cc3cccc(Cl)c3C2)c(F)c1 ZINC001144560267 1131659344 /nfs/dbraw/zinc/65/93/44/1131659344.db2.gz YEARGSXXVQZRDD-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM CN(C(=O)c1ccc(O)cc1[O-])c1ccc2ccccc2c1 ZINC000834475519 1131681079 /nfs/dbraw/zinc/68/10/79/1131681079.db2.gz VHJBKWUDGKAEKV-UHFFFAOYSA-N -1 1 293.322 3.528 20 0 CHADMM CC1CCC(Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227881265 1131757350 /nfs/dbraw/zinc/75/73/50/1131757350.db2.gz KTMLIYODGBROIT-UHFFFAOYSA-N -1 1 275.377 3.645 20 0 CHADMM S=c1nc2cnccc2c(O[C@@H]2CC3CCC2CC3)[n-]1 ZINC001227886189 1131758786 /nfs/dbraw/zinc/75/87/86/1131758786.db2.gz QYLZQDYTXCIAMM-SRHKJQAYSA-N -1 1 287.388 3.645 20 0 CHADMM CC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCCC1 ZINC000232913514 1131786114 /nfs/dbraw/zinc/78/61/14/1131786114.db2.gz KTDIXVFDVUWQOX-UHFFFAOYSA-N -1 1 281.783 3.746 20 0 CHADMM CCC1(CC)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000721307601 1131795481 /nfs/dbraw/zinc/79/54/81/1131795481.db2.gz WRDOLUJVQSVGBB-UHFFFAOYSA-N -1 1 281.783 3.840 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001228185023 1131825962 /nfs/dbraw/zinc/82/59/62/1131825962.db2.gz BWWBIUZYZOQHQO-MIFYACCESA-N -1 1 294.350 3.801 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](CC)C(C)C ZINC001228553358 1131907251 /nfs/dbraw/zinc/90/72/51/1131907251.db2.gz BJRVHEPVKCYZRN-ZDUSSCGKSA-N -1 1 266.337 3.504 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)[C@H](C)CC ZINC001228553850 1131908517 /nfs/dbraw/zinc/90/85/17/1131908517.db2.gz DXPXLQUZHVLUDW-NXEZZACHSA-N -1 1 266.337 3.504 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1OC1CCC(C)CC1 ZINC001228554383 1131908665 /nfs/dbraw/zinc/90/86/65/1131908665.db2.gz IBABZIKZEHBINF-UHFFFAOYSA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)[C@@H](C)CC ZINC001228553857 1131909679 /nfs/dbraw/zinc/90/96/79/1131909679.db2.gz DXPXLQUZHVLUDW-VHSXEESVSA-N -1 1 266.337 3.504 20 0 CHADMM C[C@@H]1c2ccccc2CCN1Cc1ccc([O-])c(F)c1F ZINC001140889811 1131959356 /nfs/dbraw/zinc/95/93/56/1131959356.db2.gz LNRJDHKFQNKKPR-LLVKDONJSA-N -1 1 289.325 3.790 20 0 CHADMM C[C@H](Cc1ccccc1)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134180 1132024478 /nfs/dbraw/zinc/02/44/78/1132024478.db2.gz FODWJPXKEOTBLQ-GFCCVEGCSA-N -1 1 296.322 3.509 20 0 CHADMM O=C(Cc1ccccc1)c1ccc([O-])cc1OC1CC=CC1 ZINC001229260489 1132046531 /nfs/dbraw/zinc/04/65/31/1132046531.db2.gz SYRZSSVEZSIPEV-UHFFFAOYSA-N -1 1 294.350 3.915 20 0 CHADMM C[C@@H](Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001229293503 1132050299 /nfs/dbraw/zinc/05/02/99/1132050299.db2.gz DRJUUWYPZVGVHI-LLVKDONJSA-N -1 1 298.338 3.506 20 0 CHADMM C[C@H](Oc1cc([O-])c(Cl)cc1Cl)C1CCOCC1 ZINC001229409525 1132063859 /nfs/dbraw/zinc/06/38/59/1132063859.db2.gz DYWOSNQVKPBWOI-QMMMGPOBSA-N -1 1 291.174 3.893 20 0 CHADMM CC[C@@H](COc1cc([O-])c(Cl)cc1Cl)OC ZINC001229406571 1132063894 /nfs/dbraw/zinc/06/38/94/1132063894.db2.gz ZCPOMMCHOWRIIZ-ZETCQYMHSA-N -1 1 265.136 3.503 20 0 CHADMM CC(C)Oc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632821 1132064394 /nfs/dbraw/zinc/06/43/94/1132064394.db2.gz QXJDXSHHDJCDPI-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCCC(=O)C1(C)C ZINC001229477976 1132073731 /nfs/dbraw/zinc/07/37/31/1132073731.db2.gz SJFWCTRQVFLWAB-INIZCTEOSA-N -1 1 290.359 3.512 20 0 CHADMM CC1CCC(C)(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC001171636744 1132081550 /nfs/dbraw/zinc/08/15/50/1132081550.db2.gz JVTYDWWRLRCLBN-UHFFFAOYSA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001141579284 1132188813 /nfs/dbraw/zinc/18/88/13/1132188813.db2.gz JYFMCSGGOHJVPP-YPMHNXCESA-N -1 1 299.370 3.560 20 0 CHADMM CCC[C@@H](CC)Oc1cccnc1-c1ncccc1[O-] ZINC001231200679 1132271090 /nfs/dbraw/zinc/27/10/90/1132271090.db2.gz SEIMBNMILHWDAP-GFCCVEGCSA-N -1 1 272.348 3.807 20 0 CHADMM CC(=O)Nc1ccc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001212707294 1132391905 /nfs/dbraw/zinc/39/19/05/1132391905.db2.gz GPJLWBHTCDVJSK-UHFFFAOYSA-N -1 1 296.248 3.512 20 0 CHADMM CN(Cc1cc([O-])c(F)c(F)c1)Cc1cccc(F)c1F ZINC001232974289 1132552870 /nfs/dbraw/zinc/55/28/70/1132552870.db2.gz SEWSWLRFVYTXSA-UHFFFAOYSA-N -1 1 299.267 3.581 20 0 CHADMM [O-]c1c(Br)ccc(Cl)c1Nc1cccnc1 ZINC001173858612 1132560590 /nfs/dbraw/zinc/56/05/90/1132560590.db2.gz NMLQBCYTUYUJCV-UHFFFAOYSA-N -1 1 299.555 3.947 20 0 CHADMM C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ncc1O ZINC001233032571 1132564376 /nfs/dbraw/zinc/56/43/76/1132564376.db2.gz LRLYHOQJESGAPI-LLVKDONJSA-N -1 1 288.778 3.560 20 0 CHADMM C[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ncc1[O-] ZINC001233032571 1132564381 /nfs/dbraw/zinc/56/43/81/1132564381.db2.gz LRLYHOQJESGAPI-LLVKDONJSA-N -1 1 288.778 3.560 20 0 CHADMM C[C@H]1CC[C@@](C)(C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC001151779523 1132574903 /nfs/dbraw/zinc/57/49/03/1132574903.db2.gz FMVGEYDMZZFNLS-QFYYESIMSA-N -1 1 279.355 3.932 20 0 CHADMM [S-]c1ccc(CN2CC[C@H]2COCc2ccccc2)cc1 ZINC001233261547 1132590869 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C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000055482103 524161367 /nfs/dbraw/zinc/16/13/67/524161367.db2.gz KVUXFKAETFKFCC-ZWNOBZJWSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@H]1Oc2ccccc2[C@H]1NCc1cccc([O-])c1Cl ZINC000293119830 525069861 /nfs/dbraw/zinc/06/98/61/525069861.db2.gz ZCGXJPYFPFGAQJ-HWPZZCPQSA-N -1 1 289.762 3.657 20 0 CHADMM [O-]c1ccc(-c2noc(C3CCC(F)(F)CC3)n2)cc1F ZINC000278184085 526337875 /nfs/dbraw/zinc/33/78/75/526337875.db2.gz OMRZLWZIAANVIM-UHFFFAOYSA-N -1 1 298.264 3.874 20 0 CHADMM CC(F)(F)C(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000334656650 528714604 /nfs/dbraw/zinc/71/46/04/528714604.db2.gz XCBAJUVNQBTHOA-UHFFFAOYSA-N -1 1 286.253 3.514 20 0 CHADMM CC(C)c1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000820197459 607310491 /nfs/dbraw/zinc/31/04/91/607310491.db2.gz JNBFGCGLDDXFOT-UHFFFAOYSA-N -1 1 299.403 3.664 20 0 CHADMM CCCC[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000736986075 600934774 /nfs/dbraw/zinc/93/47/74/600934774.db2.gz SJHXROXTVQXTGW-LLVKDONJSA-N -1 1 298.795 3.952 20 0 CHADMM CC(C)[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000228160585 599845636 /nfs/dbraw/zinc/84/56/36/599845636.db2.gz ANKARUNPJQOUTD-OAHLLOKOSA-N -1 1 291.322 3.604 20 0 CHADMM CC(C)[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000228160595 599845688 /nfs/dbraw/zinc/84/56/88/599845688.db2.gz ANKARUNPJQOUTD-HNNXBMFYSA-N -1 1 291.322 3.604 20 0 CHADMM Cc1ccc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC000738583214 599846506 /nfs/dbraw/zinc/84/65/06/599846506.db2.gz OXTRTMTYALQELZ-UHFFFAOYSA-N -1 1 297.354 3.576 20 0 CHADMM C[C@H](c1ccccc1)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000736726053 599849464 /nfs/dbraw/zinc/84/94/64/599849464.db2.gz XIDJWDSFRCBMSJ-GFCCVEGCSA-N -1 1 285.343 3.703 20 0 CHADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000584356388 600217853 /nfs/dbraw/zinc/21/78/53/600217853.db2.gz LOLAHKGHJMWCQK-ZDUSSCGKSA-N -1 1 289.331 3.525 20 0 CHADMM O=C([O-])c1cccc(C[N@H+]2CCCC[C@H]2c2ccco2)c1 ZINC000740221549 600218470 /nfs/dbraw/zinc/21/84/70/600218470.db2.gz QONVYXYRDWTOIY-HNNXBMFYSA-N -1 1 285.343 3.705 20 0 CHADMM O=C([O-])c1ccc(CN2CCCCC[C@H]2c2ccco2)o1 ZINC000566359057 600262133 /nfs/dbraw/zinc/26/21/33/600262133.db2.gz DNWAHRSPLUQWSW-ZDUSSCGKSA-N -1 1 289.331 3.688 20 0 CHADMM C[C@H]1c2ccc(F)cc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000736840329 600441571 /nfs/dbraw/zinc/44/15/71/600441571.db2.gz MAXGAVNEPCUMOS-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000579842958 600862037 /nfs/dbraw/zinc/86/20/37/600862037.db2.gz SPVSNPPXXCGIQA-DGCLKSJQSA-N -1 1 289.331 3.544 20 0 CHADMM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828457080 601179454 /nfs/dbraw/zinc/17/94/54/601179454.db2.gz QQBCEMHPPFQYOR-SJKOYZFVSA-N -1 1 299.345 3.717 20 0 CHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(C)s1 ZINC000573452765 601415199 /nfs/dbraw/zinc/41/51/99/601415199.db2.gz YAQVBGZXIIVPTP-UHFFFAOYSA-N -1 1 293.388 3.542 20 0 CHADMM C[C@@H](c1ccco1)N(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000568060123 601963317 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C[C@@H](c1ccc(C(=O)[O-])o1)N1Cc2ccccc2C2(CC2)C1 ZINC000568064951 974658247 /nfs/dbraw/zinc/65/82/47/974658247.db2.gz VXDVVQOLBNQIAD-LBPRGKRZSA-N -1 1 297.354 3.586 20 0 CHADMM CC(C)c1[nH]c(CN2CCC[C@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001591912401 976344828 /nfs/dbraw/zinc/34/48/28/976344828.db2.gz MCXWPASQAMNBCI-DOMZBBRYSA-N -1 1 290.407 3.601 20 0 CHADMM Cc1cc(CNCc2cccc(Cl)c2C)oc1C(=O)[O-] ZINC000901940487 980642244 /nfs/dbraw/zinc/64/22/44/980642244.db2.gz XJFSUQYVOLZWIW-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM C[C@H](c1cccs1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902511558 980915670 /nfs/dbraw/zinc/91/56/70/980915670.db2.gz JPDBNQLMBVIFJR-WSKFYRRCSA-N -1 1 291.372 3.632 20 0 CHADMM CCCC1CCC(N(C)Cc2nc(C(=O)[O-])cs2)CC1 ZINC001595620655 981691743 /nfs/dbraw/zinc/69/17/43/981691743.db2.gz OREYVXWENOJRJM-UHFFFAOYSA-N -1 1 296.436 3.632 20 0 CHADMM CCc1oc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795860 989348365 /nfs/dbraw/zinc/34/83/65/989348365.db2.gz GAVRNBFGHKJLTF-PXAZEXFGSA-N 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O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCC[C@H]1C1CC1 ZINC000909987956 1127044065 /nfs/dbraw/zinc/04/40/65/1127044065.db2.gz OZCBBZZPBLBHIW-QWRGUYRKSA-N -1 1 295.329 3.825 20 0 CHADMM CCCCS[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979749 1127042279 /nfs/dbraw/zinc/04/22/79/1127042279.db2.gz UHWFRVCDMCQBPP-QMMMGPOBSA-N -1 1 289.347 3.531 20 0 CHADMM CC[C@@H]1CCCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669041738 1127114569 /nfs/dbraw/zinc/11/45/69/1127114569.db2.gz OQKHVKJSJPIGLF-CQSZACIVSA-N -1 1 298.386 3.735 20 0 CHADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669168615 1127151959 /nfs/dbraw/zinc/15/19/59/1127151959.db2.gz ODEFVBZXCNQIPR-STQMWFEESA-N -1 1 298.386 3.591 20 0 CHADMM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000285721779 1127241613 /nfs/dbraw/zinc/24/16/13/1127241613.db2.gz JKGLRWYDBNYSAM-UHFFFAOYSA-N -1 1 277.295 3.808 20 0 CHADMM C[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)c([O-])cc1F ZINC001238150900 1131174164 /nfs/dbraw/zinc/17/41/64/1131174164.db2.gz DFDCLZVUHBHTSH-VHSXEESVSA-N 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SPSBWOLDOGNSHP-UHFFFAOYSA-N -1 1 288.322 3.537 20 0 CHADMM Cc1cccc2cc(C(=O)Nc3c([O-])cccc3F)oc21 ZINC000608365521 1127862374 /nfs/dbraw/zinc/86/23/74/1127862374.db2.gz MEDABZGYOANFFE-UHFFFAOYSA-N -1 1 285.274 3.838 20 0 CHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000608366357 1127862416 /nfs/dbraw/zinc/86/24/16/1127862416.db2.gz SRYQSHNMXAFYLR-SNVBAGLBSA-N -1 1 291.297 3.803 20 0 CHADMM O=C(C[C@H]1CCc2ccccc21)Nc1c([O-])cccc1F ZINC000608367168 1127862628 /nfs/dbraw/zinc/86/26/28/1127862628.db2.gz LAQCGAPAIFGUCA-GFCCVEGCSA-N -1 1 285.318 3.590 20 0 CHADMM CCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCCC1 ZINC000509712317 1127905612 /nfs/dbraw/zinc/90/56/12/1127905612.db2.gz KHGLPOQBJWPCFF-AAEUAGOBSA-N -1 1 297.468 3.828 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)C1CCC1 ZINC001233650111 1128006557 /nfs/dbraw/zinc/00/65/57/1128006557.db2.gz HRQCQXTVXWRFKV-LLVKDONJSA-N -1 1 262.349 3.942 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1CCc2ccccc2CC1 ZINC000626277711 1128160893 /nfs/dbraw/zinc/16/08/93/1128160893.db2.gz MCFQXUAXHOSNOL-UHFFFAOYSA-N -1 1 299.345 3.665 20 0 CHADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000494834845 1128204965 /nfs/dbraw/zinc/20/49/65/1128204965.db2.gz KMMQGZALJYYVFQ-OAHLLOKOSA-N -1 1 298.386 3.709 20 0 CHADMM Cc1nc(S[C@H](C)c2ccccc2F)[n-]c(=O)c1C ZINC000561823105 1128355616 /nfs/dbraw/zinc/35/56/16/1128355616.db2.gz OOQJSIBVSHDKAZ-SNVBAGLBSA-N -1 1 278.352 3.791 20 0 CHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000648924581 1128383975 /nfs/dbraw/zinc/38/39/75/1128383975.db2.gz XLVYTKBLLAMJJC-DTWKUNHWSA-N -1 1 283.318 3.681 20 0 CHADMM Cc1ccc2cccc(NC(=O)c3ccccc3[O-])c2n1 ZINC000061875477 1128408296 /nfs/dbraw/zinc/40/82/96/1128408296.db2.gz KAMULBVJMOHPJP-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000124732044 1128445719 /nfs/dbraw/zinc/44/57/19/1128445719.db2.gz ZYXAOVKOOWWTEN-DOMZBBRYSA-N -1 1 283.371 3.949 20 0 CHADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000570903383 1128634603 /nfs/dbraw/zinc/63/46/03/1128634603.db2.gz YHVFRLGMMUBRGR-VHSXEESVSA-N -1 1 283.318 3.825 20 0 CHADMM C[C@H]1CCCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000920463165 1128682470 /nfs/dbraw/zinc/68/24/70/1128682470.db2.gz AAZFLVKTKWXJPX-QWRGUYRKSA-N -1 1 281.783 3.602 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2ccsc2[nH]1 ZINC000601052651 1128693309 /nfs/dbraw/zinc/69/33/09/1128693309.db2.gz XJRKDQLOWYGTQI-UHFFFAOYSA-N -1 1 292.747 3.841 20 0 CHADMM O=C(/C=C/c1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000067739013 1117817651 /nfs/dbraw/zinc/81/76/51/1117817651.db2.gz OUOWRYLERHHMFQ-VMPITWQZSA-N -1 1 291.709 3.837 20 0 CHADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112333712 1117838059 /nfs/dbraw/zinc/83/80/59/1117838059.db2.gz COWPZPUOTHORFF-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM CSc1ccc([O-])c(C(=O)Nc2cccc(F)c2F)c1 ZINC001625814970 1117969143 /nfs/dbraw/zinc/96/91/43/1117969143.db2.gz PXKKCVDKFNZDCX-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM CSc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181043788 1117993793 /nfs/dbraw/zinc/99/37/93/1117993793.db2.gz PKBGFBHRCYJMDC-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM C[C@H]1CC[C@H](NC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000705742230 1118051355 /nfs/dbraw/zinc/05/13/55/1118051355.db2.gz NYYUDTRGXPFNOK-MGCOHNPYSA-N -1 1 282.771 3.746 20 0 CHADMM CC(C)[C@H]1CCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000765744536 1118207081 /nfs/dbraw/zinc/20/70/81/1118207081.db2.gz KRLVHGHVNXTKRI-DGCLKSJQSA-N -1 1 285.309 3.625 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)s1 ZINC000683593505 1118207082 /nfs/dbraw/zinc/20/70/82/1118207082.db2.gz LJUJIMABHDPQHH-UHFFFAOYSA-N -1 1 290.319 3.927 20 0 CHADMM CCC(CC)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000083927102 1118231578 /nfs/dbraw/zinc/23/15/78/1118231578.db2.gz CFNBNSPVUMTZFJ-LBPRGKRZSA-N -1 1 273.298 3.842 20 0 CHADMM CCOC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC000065343528 1118245212 /nfs/dbraw/zinc/24/52/12/1118245212.db2.gz LSFYLRXMKMKCNQ-UHFFFAOYSA-N -1 1 276.719 3.889 20 0 CHADMM COC(=O)c1cc(F)cc(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343547 1118245572 /nfs/dbraw/zinc/24/55/72/1118245572.db2.gz RDDAFCSGNXYDSF-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@@H](c1ccccc1)C1CC1 ZINC001648850265 1118255294 /nfs/dbraw/zinc/25/52/94/1118255294.db2.gz DXOPATXAPTUHIP-HNNXBMFYSA-N -1 1 285.318 3.664 20 0 CHADMM Cc1ccc2nc(C(=O)Nc3cccc(F)c3[O-])ccc2c1 ZINC001648851055 1118258230 /nfs/dbraw/zinc/25/82/30/1118258230.db2.gz SROJBMZXROGZRP-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM [O-]c1cc(Nc2ccc3ocnc3c2)cc(F)c1F ZINC001210573901 1118330632 /nfs/dbraw/zinc/33/06/32/1118330632.db2.gz UIYFYOBVWJTCSG-UHFFFAOYSA-N -1 1 262.215 3.555 20 0 CHADMM Cc1ccc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000082193040 1118334536 /nfs/dbraw/zinc/33/45/36/1118334536.db2.gz HXENEQOARNQPRQ-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2nccs2)c1F ZINC000683756070 1118336428 /nfs/dbraw/zinc/33/64/28/1118336428.db2.gz ZGBLTYJQSZFIGP-UHFFFAOYSA-N -1 1 288.706 3.635 20 0 CHADMM CSc1nc(Nc2cc3cc(F)ccc3o2)cc(=O)[n-]1 ZINC001210726664 1118369962 /nfs/dbraw/zinc/36/99/62/1118369962.db2.gz RDQJFNDHWBKVPM-UHFFFAOYSA-N -1 1 291.307 3.533 20 0 CHADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)cc(C)n1 ZINC001210781092 1118385888 /nfs/dbraw/zinc/38/58/88/1118385888.db2.gz MJQQQXRTKZEJDN-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM CC1=CC[C@@](C)(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000616102170 1128776156 /nfs/dbraw/zinc/77/61/56/1128776156.db2.gz YAMQZBLGTUDEAV-OAHLLOKOSA-N -1 1 281.302 3.745 20 0 CHADMM [O-]c1cc(F)c(-c2cc(F)ncc2C2CC2)cc1F ZINC001211339853 1118505621 /nfs/dbraw/zinc/50/56/21/1118505621.db2.gz PXQLTIFQEHZFFI-UHFFFAOYSA-N -1 1 265.234 3.749 20 0 CHADMM CCOC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1C ZINC001211359221 1118507890 /nfs/dbraw/zinc/50/78/90/1118507890.db2.gz DVAJJYZXJOLAFM-UHFFFAOYSA-N -1 1 292.281 3.823 20 0 CHADMM CCc1nc(SC[C@H](CC)CC(F)F)[n-]c(=O)c1C ZINC000657264703 1118944978 /nfs/dbraw/zinc/94/49/78/1118944978.db2.gz YIFGNIYBCXIMHB-SECBINFHSA-N -1 1 290.379 3.827 20 0 CHADMM C[C@@H]1[C@@H](C(=O)Nc2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000684749698 1119008900 /nfs/dbraw/zinc/00/89/00/1119008900.db2.gz CUVTWVMZOOMCNJ-COLVAYQJSA-N -1 1 285.318 3.520 20 0 CHADMM CSc1ccccc1C(=O)Nc1c([O-])cccc1F ZINC000684769897 1119021663 /nfs/dbraw/zinc/02/16/63/1119021663.db2.gz FIHHSVNNEVUTCK-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM O=C(Nc1cccc(F)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869684 1119079098 /nfs/dbraw/zinc/07/90/98/1119079098.db2.gz XQLNSDUTMJPNIR-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM CCCCN(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870040 1119079857 /nfs/dbraw/zinc/07/98/57/1119079857.db2.gz IJPSRYCINVAUMU-UHFFFAOYSA-N -1 1 289.297 3.673 20 0 CHADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000684987309 1119158083 /nfs/dbraw/zinc/15/80/83/1119158083.db2.gz BMEIACPJQUZTHC-HDJSIYSDSA-N -1 1 299.345 3.516 20 0 CHADMM Nc1c(Cl)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001216527784 1119164620 /nfs/dbraw/zinc/16/46/20/1119164620.db2.gz NLHVJLOCLJMGPA-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000153456716 1119232806 /nfs/dbraw/zinc/23/28/06/1119232806.db2.gz ZHICLHOVSKOEEH-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCC2(CCCC2)CC1 ZINC000617564180 1128845761 /nfs/dbraw/zinc/84/57/61/1128845761.db2.gz IDJGDYXOOSLYLR-UHFFFAOYSA-N -1 1 291.366 3.718 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(C2CCC2)CC1 ZINC000617773871 1128866348 /nfs/dbraw/zinc/86/63/48/1128866348.db2.gz FAUBRVNUEALQDZ-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1[C@H]2CCCCCC[C@H]12 ZINC000613030050 1119852228 /nfs/dbraw/zinc/85/22/28/1119852228.db2.gz XIKXEVJNRPFGRS-QWRGUYRKSA-N -1 1 277.339 3.686 20 0 CHADMM CC[C@@](C)(OC)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000289821760 1119883405 /nfs/dbraw/zinc/88/34/05/1119883405.db2.gz BETXCRLISRTHPL-QGZVFWFLSA-N -1 1 298.342 3.867 20 0 CHADMM O=C(Nc1cccc(C(F)F)c1)c1cc(F)ccc1[O-] ZINC000179515394 1120094786 /nfs/dbraw/zinc/09/47/86/1120094786.db2.gz BGEVQSBNUKXLJQ-UHFFFAOYSA-N -1 1 281.233 3.721 20 0 CHADMM CC1CCC(N(C(=O)c2ccc([O-])cc2F)C2CC2)CC1 ZINC000181921126 1120110914 /nfs/dbraw/zinc/11/09/14/1120110914.db2.gz WNCBJUUQZDWWCB-UHFFFAOYSA-N -1 1 291.366 3.715 20 0 CHADMM O=C(Nc1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000181888133 1120111310 /nfs/dbraw/zinc/11/13/10/1120111310.db2.gz JFBCMXJZTDQUEH-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1cnc(C)s1 ZINC000362185845 1120118210 /nfs/dbraw/zinc/11/82/10/1120118210.db2.gz XDZJYPTVYFWQJK-UHFFFAOYSA-N -1 1 296.392 3.955 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000183203228 1120130540 /nfs/dbraw/zinc/13/05/40/1120130540.db2.gz MVINBEQUCZGEBN-CYBMUJFWSA-N -1 1 281.355 3.936 20 0 CHADMM CN(C)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328316880 1120171843 /nfs/dbraw/zinc/17/18/43/1120171843.db2.gz GWNIKFKBIBBOLX-UHFFFAOYSA-N -1 1 276.767 3.724 20 0 CHADMM CCC[C@H](C)CCCSc1ncc(C)c(=O)[n-]1 ZINC000629179446 1128900499 /nfs/dbraw/zinc/90/04/99/1128900499.db2.gz DTBKBZDSPICHHD-JTQLQIEISA-N -1 1 254.399 3.799 20 0 CHADMM [O-]c1c(F)cc(Nc2cccnc2Cl)cc1Cl ZINC001214477507 1120237679 /nfs/dbraw/zinc/23/76/79/1120237679.db2.gz SDFAPNSPOANMKN-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](C2CCCCC2)C1 ZINC000618184608 1128901304 /nfs/dbraw/zinc/90/13/04/1128901304.db2.gz AUPLXSCXZSZERY-ZDUSSCGKSA-N -1 1 291.366 3.574 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](C2CCCCC2)C1 ZINC000618184607 1128901414 /nfs/dbraw/zinc/90/14/14/1128901414.db2.gz AUPLXSCXZSZERY-CYBMUJFWSA-N -1 1 291.366 3.574 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCc2ccccc21 ZINC000677647650 1120252385 /nfs/dbraw/zinc/25/23/85/1120252385.db2.gz SWFOEESJNCGMHO-CYBMUJFWSA-N -1 1 285.318 3.590 20 0 CHADMM CCC(CC)[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000677799073 1120255968 /nfs/dbraw/zinc/25/59/68/1120255968.db2.gz TXVJUPSTNHWMJW-VIFPVBQESA-N -1 1 253.317 3.542 20 0 CHADMM O=c1cc(C(F)F)nc(S[C@H]2CCc3ccccc32)[n-]1 ZINC000685574897 1120278842 /nfs/dbraw/zinc/27/88/42/1120278842.db2.gz RYRJUPVKRWJFBX-NSHDSACASA-N -1 1 294.326 3.899 20 0 CHADMM Cc1ccc(N(C)C(=O)c2ccc([O-])cc2F)cc1Cl ZINC000181974033 1128916737 /nfs/dbraw/zinc/91/67/37/1128916737.db2.gz LAEAAZYVJWFACY-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM C[C@H]([C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417634318 1120466797 /nfs/dbraw/zinc/46/67/97/1120466797.db2.gz CFQXGKRPQAEZMD-YVEFUNNKSA-N -1 1 299.370 3.536 20 0 CHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cc2ccccc2cc1[O-] ZINC000629614741 1128918280 /nfs/dbraw/zinc/91/82/80/1128918280.db2.gz NPWGTUBGSKFZJO-KXBFYZLASA-N -1 1 295.382 3.950 20 0 CHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(F)c1)CCC2 ZINC000673402987 1120469104 /nfs/dbraw/zinc/46/91/04/1120469104.db2.gz XYDSHIKRLABBQR-INIZCTEOSA-N -1 1 299.345 3.647 20 0 CHADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000019837346 1120529813 /nfs/dbraw/zinc/52/98/13/1120529813.db2.gz NOHDXFJATHRKLM-UHFFFAOYSA-N -1 1 277.323 3.822 20 0 CHADMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000093096145 1120700923 /nfs/dbraw/zinc/70/09/23/1120700923.db2.gz FNZRXMNURLULGK-UHFFFAOYSA-N -1 1 285.343 3.782 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Cl)cn1 ZINC000191516823 1128941935 /nfs/dbraw/zinc/94/19/35/1128941935.db2.gz YBGPGPNYRSWOIK-UHFFFAOYSA-N -1 1 287.121 3.845 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2c(c1)COC2 ZINC000191539798 1128941983 /nfs/dbraw/zinc/94/19/83/1128941983.db2.gz IITUXWSJEKYTCI-UHFFFAOYSA-N -1 1 293.725 3.827 20 0 CHADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCCC2 ZINC000629942677 1128942945 /nfs/dbraw/zinc/94/29/45/1128942945.db2.gz NHMXJWNOSWJCDT-LBPRGKRZSA-N -1 1 296.292 3.594 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC12CCCC2 ZINC000652580449 1120889522 /nfs/dbraw/zinc/88/95/22/1120889522.db2.gz PMFMZTNCLGZKIT-UHFFFAOYSA-N -1 1 281.355 3.704 20 0 CHADMM Cc1nc(CNCc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000663261169 1120904138 /nfs/dbraw/zinc/90/41/38/1120904138.db2.gz ZGYDECGKKOKKSJ-UHFFFAOYSA-N -1 1 298.386 3.501 20 0 CHADMM Cc1csc2[n-]c(-c3coc(C4CCC4)n3)nc(=O)c12 ZINC000630386566 1128955676 /nfs/dbraw/zinc/95/56/76/1128955676.db2.gz XXQZKWIUENJILO-UHFFFAOYSA-N -1 1 287.344 3.628 20 0 CHADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C ZINC001174834502 1121051819 /nfs/dbraw/zinc/05/18/19/1121051819.db2.gz HEMYMSPIQQZRKG-UHFFFAOYSA-N -1 1 295.342 3.639 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c(F)c1F ZINC001174969683 1121118796 /nfs/dbraw/zinc/11/87/96/1121118796.db2.gz QSWIJSKYOWNKME-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC(C)(C)c1nsc([N-]c2ccc(F)c(F)c2F)n1 ZINC001174970045 1121120005 /nfs/dbraw/zinc/12/00/05/1121120005.db2.gz UJJKNPXVDBVKGU-UHFFFAOYSA-N -1 1 287.310 3.997 20 0 CHADMM CC[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000085069772 1121175309 /nfs/dbraw/zinc/17/53/09/1121175309.db2.gz KLMFORLDALDDEU-CMPLNLGQSA-N -1 1 281.783 3.744 20 0 CHADMM COc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001175121786 1121190221 /nfs/dbraw/zinc/19/02/21/1121190221.db2.gz YRWISLDZURWBLO-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000773463693 1121194569 /nfs/dbraw/zinc/19/45/69/1121194569.db2.gz DXWJITCVBOYMGN-RRFJBIMHSA-N -1 1 273.376 3.703 20 0 CHADMM Cc1ccc(C)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175163136 1121209932 /nfs/dbraw/zinc/20/99/32/1121209932.db2.gz HSRPUNIMMDTCHG-UHFFFAOYSA-N -1 1 281.311 3.859 20 0 CHADMM Cc1cccc(SCC(=O)c2ccc([O-])cc2)c1 ZINC000040696616 1121211012 /nfs/dbraw/zinc/21/10/12/1121211012.db2.gz YCLOXIXLAPJOKI-UHFFFAOYSA-N -1 1 258.342 3.676 20 0 CHADMM C[C@H](CCc1cccc(F)c1)C(=O)[N-]Oc1ccccc1 ZINC000773473661 1121223129 /nfs/dbraw/zinc/22/31/29/1121223129.db2.gz PSWHJBMYRGZJGU-CYBMUJFWSA-N -1 1 287.334 3.505 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1c1ccccc1 ZINC000436526403 1121228447 /nfs/dbraw/zinc/22/84/47/1121228447.db2.gz ISFUPJIZSSZCPK-INIZCTEOSA-N -1 1 299.345 3.899 20 0 CHADMM CSc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001175283558 1121251974 /nfs/dbraw/zinc/25/19/74/1121251974.db2.gz AQORHNPJCBPYTI-UHFFFAOYSA-N -1 1 273.317 3.795 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(Cl)ccc1F ZINC001175298537 1121261088 /nfs/dbraw/zinc/26/10/88/1121261088.db2.gz GHUPVNZPVDPPFD-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001175256328 1121263048 /nfs/dbraw/zinc/26/30/48/1121263048.db2.gz MDEMPKZOIFUHRL-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM CCCC[C@H](CC)CSc1nc(C(=O)OC)c[n-]1 ZINC000432672005 1121266084 /nfs/dbraw/zinc/26/60/84/1121266084.db2.gz XKPMFFYIRNESIG-JTQLQIEISA-N -1 1 270.398 3.505 20 0 CHADMM CCOc1cc(Nc2c([O-])cc(F)cc2F)ccc1OC ZINC001212542337 1121271523 /nfs/dbraw/zinc/27/15/23/1121271523.db2.gz HDJXYZLDMCCXBU-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM CC(C)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000630924814 1128975776 /nfs/dbraw/zinc/97/57/76/1128975776.db2.gz WCSMICYFQQOGKP-UHFFFAOYSA-N -1 1 295.810 3.768 20 0 CHADMM COc1ncc([N-]c2cc(-c3ccc(C)cc3)no2)s1 ZINC001175386755 1121309490 /nfs/dbraw/zinc/30/94/90/1121309490.db2.gz BMLOJPOBEDEANE-UHFFFAOYSA-N -1 1 287.344 3.859 20 0 CHADMM [O-]c1cc(Nc2ccc3nccnc3c2)c(F)cc1Cl ZINC001175488083 1121341336 /nfs/dbraw/zinc/34/13/36/1121341336.db2.gz RSLJASLNSNYGHT-UHFFFAOYSA-N -1 1 289.697 3.872 20 0 CHADMM Cc1ccc2n[nH]cc2c1Nc1cc([O-])c(F)c(F)c1 ZINC001175526765 1121367143 /nfs/dbraw/zinc/36/71/43/1121367143.db2.gz SILXPJQTQDCEJE-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1ccc2[nH]ncc2c1Nc1ccc([S-])cc1 ZINC001175526775 1121369592 /nfs/dbraw/zinc/36/95/92/1121369592.db2.gz SSPDZFAILDWYRR-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM COc1cc(F)c(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001175723018 1121439281 /nfs/dbraw/zinc/43/92/81/1121439281.db2.gz FHWQFNUZNLKZGA-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COc1cc(F)c(Nc2cc([O-])c(F)c(F)c2)c(F)c1 ZINC001175724131 1121440297 /nfs/dbraw/zinc/44/02/97/1121440297.db2.gz UZSCYCJQHUUHDD-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cnn(-c2ccccc2)c1 ZINC001175795891 1121468340 /nfs/dbraw/zinc/46/83/40/1121468340.db2.gz YZDMNHHYBVNBEU-UHFFFAOYSA-N -1 1 287.269 3.600 20 0 CHADMM Cc1cccc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000614112153 1121476589 /nfs/dbraw/zinc/47/65/89/1121476589.db2.gz DVJOHCPFIXAYNL-UHFFFAOYSA-N -1 1 250.301 3.619 20 0 CHADMM O=C([O-])c1csc(CN(Cc2cccs2)C2CC2)c1 ZINC000711470973 1121537299 /nfs/dbraw/zinc/53/72/99/1121537299.db2.gz ZVXNFWURQIZWCN-UHFFFAOYSA-N -1 1 293.413 3.672 20 0 CHADMM [O-]c1cccc(CNCc2ccc(Cl)o2)c1Cl ZINC000645143868 1121565681 /nfs/dbraw/zinc/56/56/81/1121565681.db2.gz NBKSPYHXLQUWHC-UHFFFAOYSA-N -1 1 272.131 3.582 20 0 CHADMM O=C1CCc2cc(Nc3ccc(F)c(F)c3[O-])ccc21 ZINC001176240458 1121584012 /nfs/dbraw/zinc/58/40/12/1121584012.db2.gz XWXPWUHSNHTXQO-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM CN(C(=O)c1ncc2ccccc2c1[O-])[C@H]1CCC(C)(C)C1 ZINC000614288585 1121600212 /nfs/dbraw/zinc/60/02/12/1121600212.db2.gz SDNNDJCGQFTZBA-ZDUSSCGKSA-N -1 1 298.386 3.591 20 0 CHADMM c1coc(-c2nnc([N-]c3cccc(OCC4CC4)c3)o2)c1 ZINC001176491655 1121638067 /nfs/dbraw/zinc/63/80/67/1121638067.db2.gz AVDPEOXJMQGVTF-UHFFFAOYSA-N -1 1 297.314 3.862 20 0 CHADMM O=c1ccn(-c2ccc(Nc3ccccc3Cl)cc2)[n-]1 ZINC001176553842 1121655111 /nfs/dbraw/zinc/65/51/11/1121655111.db2.gz IVYPIFFWZWLNPV-UHFFFAOYSA-N -1 1 285.734 3.975 20 0 CHADMM COc1c(F)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670559 1121671125 /nfs/dbraw/zinc/67/11/25/1121671125.db2.gz YVFUNQSCRYGCJX-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1OC ZINC001176670512 1121671247 /nfs/dbraw/zinc/67/12/47/1121671247.db2.gz XCMBARNKORDXBW-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(C(F)F)nc2)c1F ZINC001176664879 1121671799 /nfs/dbraw/zinc/67/17/99/1121671799.db2.gz WSYGUICDMJGAEY-UHFFFAOYSA-N -1 1 290.191 3.886 20 0 CHADMM CN(C)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671981 1121672976 /nfs/dbraw/zinc/67/29/76/1121672976.db2.gz QPVNEDLEWZMQGL-UHFFFAOYSA-N -1 1 282.265 3.619 20 0 CHADMM COc1cc(C)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671413 1121673528 /nfs/dbraw/zinc/67/35/28/1121673528.db2.gz COBKITDXKZUTCX-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(O)c(F)c(F)c2)c1F ZINC001176672072 1121673724 /nfs/dbraw/zinc/67/37/24/1121673724.db2.gz CZDOFVSZTDOLJQ-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(C)c1 ZINC001176663209 1121678683 /nfs/dbraw/zinc/67/86/83/1121678683.db2.gz DOWFLLLUOLPOFJ-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1Cl ZINC001176663191 1121678908 /nfs/dbraw/zinc/67/89/08/1121678908.db2.gz CTMMBWYLXXGCKU-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM CC(C)(CC(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000420496404 1122013287 /nfs/dbraw/zinc/01/32/87/1122013287.db2.gz YZKKCDMVJLOEGZ-UHFFFAOYSA-N -1 1 286.253 3.514 20 0 CHADMM Cc1cnc(Cl)c(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250019846 1122077321 /nfs/dbraw/zinc/07/73/21/1122077321.db2.gz IEYVVGPFHIGFFQ-UHFFFAOYSA-N -1 1 288.109 3.680 20 0 CHADMM CC(=O)Nc1ccccc1Nc1cc(Cl)c([O-])cc1F ZINC001250024217 1122085124 /nfs/dbraw/zinc/08/51/24/1122085124.db2.gz VBINSLMAPAPQNE-UHFFFAOYSA-N -1 1 294.713 3.887 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)c(C(F)F)c1 ZINC001183055020 1122203018 /nfs/dbraw/zinc/20/30/18/1122203018.db2.gz ZIJORKXDYSSTQG-UHFFFAOYSA-N -1 1 299.223 3.860 20 0 CHADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000273188292 1122223503 /nfs/dbraw/zinc/22/35/03/1122223503.db2.gz MQBPHAQOCRNWML-ZYHUDNBSSA-N -1 1 297.782 3.579 20 0 CHADMM CC[C@@H](C)CC[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674468 1122253398 /nfs/dbraw/zinc/25/33/98/1122253398.db2.gz HZBVELCLKPSEIT-MNOVXSKESA-N -1 1 280.364 3.894 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cccc(F)c2[O-])c1 ZINC001185255498 1122329705 /nfs/dbraw/zinc/32/97/05/1122329705.db2.gz QETUZACFZGMFFR-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(NCc1ccc(F)cc1)Nc1cccc([O-])c1Cl ZINC001185473634 1122342879 /nfs/dbraw/zinc/34/28/79/1122342879.db2.gz AXNVYROHPCJBQV-UHFFFAOYSA-N -1 1 294.713 3.506 20 0 CHADMM CC[C@H](C)C1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001186233157 1122380072 /nfs/dbraw/zinc/38/00/72/1122380072.db2.gz DOUFEACLCRQJAD-DCBWTQNWSA-N -1 1 293.382 3.866 20 0 CHADMM FC(F)Oc1ccc(-c2cc([N-]c3cnoc3)on2)cc1 ZINC001203232619 1122382215 /nfs/dbraw/zinc/38/22/15/1122382215.db2.gz VVCBKDSFQWDTNW-UHFFFAOYSA-N -1 1 293.229 3.675 20 0 CHADMM Cn1ncc2cc(Nc3c(F)ccc([O-])c3Cl)ccc21 ZINC001250234568 1122382778 /nfs/dbraw/zinc/38/27/78/1122382778.db2.gz SAFTXMHJHHEWLN-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1[O-])C1CCCCC1 ZINC001186345162 1122388813 /nfs/dbraw/zinc/38/88/13/1122388813.db2.gz RCYOXRFQKFVGIR-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM C[C@H](NC(=O)Nc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001186398346 1122389564 /nfs/dbraw/zinc/38/95/64/1122389564.db2.gz JAKXHDHUSCRXLO-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM CSc1ccccc1NC(=O)Nc1c([O-])cccc1F ZINC001186747445 1122405684 /nfs/dbraw/zinc/40/56/84/1122405684.db2.gz TZVVTWMAKVKCAA-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM O=C(Nc1ccc(F)c(Cl)c1)Nc1cccc(F)c1[O-] ZINC001187699548 1122439286 /nfs/dbraw/zinc/43/92/86/1122439286.db2.gz CPZBJTIJGWAQPZ-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1F ZINC001187985634 1122449380 /nfs/dbraw/zinc/44/93/80/1122449380.db2.gz HHDFPYOATYPIMO-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1nc(S[C@H]2CCc3ccc(F)cc32)[n-]c(=O)c1C ZINC001189060925 1122487287 /nfs/dbraw/zinc/48/72/87/1122487287.db2.gz ITSACGOHFOAXRH-ZDUSSCGKSA-N -1 1 290.363 3.718 20 0 CHADMM Cc1nc(SCCCSC(C)(C)C)[n-]c(=O)c1C ZINC001189061150 1122488567 /nfs/dbraw/zinc/48/85/67/1122488567.db2.gz JTJOBDCCBZLZBN-UHFFFAOYSA-N -1 1 286.466 3.813 20 0 CHADMM Cc1cnc(SC[C@H]2CCCCC2(C)C)[n-]c1=O ZINC001189399374 1122499952 /nfs/dbraw/zinc/49/99/52/1122499952.db2.gz MVZYBSABJCRDFT-LLVKDONJSA-N -1 1 266.410 3.799 20 0 CHADMM CCc1cccc(CSc2nc(CC)cc(=O)[n-]2)c1 ZINC000436238642 1122527870 /nfs/dbraw/zinc/52/78/70/1122527870.db2.gz FUYLPYYHGXRATE-UHFFFAOYSA-N -1 1 274.389 3.599 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CC4CCC3CC4)n2)cc1F ZINC000436521675 1122557188 /nfs/dbraw/zinc/55/71/88/1122557188.db2.gz OESVYLJPXAMCJL-RTYFJBAXSA-N -1 1 288.322 3.875 20 0 CHADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@H]2C[C@H]2C1 ZINC000436521409 1122557230 /nfs/dbraw/zinc/55/72/30/1122557230.db2.gz MLWYCYKPUOTPQN-ZZCKJEPUSA-N -1 1 290.750 3.783 20 0 CHADMM CC(C)N(Cc1ccco1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436530797 1122558247 /nfs/dbraw/zinc/55/82/47/1122558247.db2.gz GCPPCJXTKMSRSL-UHFFFAOYSA-N -1 1 293.750 3.689 20 0 CHADMM O=C(c1ccccc1[O-])N1CCCCCc2ccccc21 ZINC000436583781 1122564505 /nfs/dbraw/zinc/56/45/05/1122564505.db2.gz KHKMFRWTWPTASI-UHFFFAOYSA-N -1 1 281.355 3.765 20 0 CHADMM Cc1nc(C)c(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436590230 1122564680 /nfs/dbraw/zinc/56/46/80/1122564680.db2.gz SFWDNESCRNTEEF-UHFFFAOYSA-N -1 1 298.367 3.871 20 0 CHADMM C[C@H](c1cccs1)c1noc(-c2ccc([O-])cc2F)n1 ZINC000436692583 1122572456 /nfs/dbraw/zinc/57/24/56/1122572456.db2.gz XJNHPDJVTPWBFQ-MRVPVSSYSA-N -1 1 290.319 3.795 20 0 CHADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1(C)CCCC1 ZINC000436738570 1122576141 /nfs/dbraw/zinc/57/61/41/1122576141.db2.gz MAKBNUUNHYDWGQ-UHFFFAOYSA-N -1 1 283.371 3.950 20 0 CHADMM CC(C)Nc1ccc(F)cc1NC(=O)c1ccccc1[O-] ZINC000436728012 1122576937 /nfs/dbraw/zinc/57/69/37/1122576937.db2.gz GNLZDXSPVVJHTD-UHFFFAOYSA-N -1 1 288.322 3.604 20 0 CHADMM CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000436813168 1122584461 /nfs/dbraw/zinc/58/44/61/1122584461.db2.gz HFWXFSCIIHZHIJ-OAHLLOKOSA-N -1 1 281.355 3.792 20 0 CHADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000436838441 1122588188 /nfs/dbraw/zinc/58/81/88/1122588188.db2.gz QWFLJYRKCKDPGV-ZDUSSCGKSA-N -1 1 297.276 3.616 20 0 CHADMM [O-]c1ccc(-c2noc(-c3ccoc3C3CC3)n2)c(F)c1 ZINC000436871836 1122590419 /nfs/dbraw/zinc/59/04/19/1122590419.db2.gz IVHFDWPVWMUKAJ-UHFFFAOYSA-N -1 1 286.262 3.719 20 0 CHADMM CC(C)c1ccoc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881062 1122590860 /nfs/dbraw/zinc/59/08/60/1122590860.db2.gz VEMAJFZDSDMTIU-UHFFFAOYSA-N -1 1 288.278 3.965 20 0 CHADMM CCc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436884941 1122591036 /nfs/dbraw/zinc/59/10/36/1122591036.db2.gz BMVMDXUTESQHPM-UHFFFAOYSA-N -1 1 284.290 3.811 20 0 CHADMM CC1(C)CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880448 1122591391 /nfs/dbraw/zinc/59/13/91/1122591391.db2.gz QYUIOZXADMPGTF-LLVKDONJSA-N -1 1 276.311 3.875 20 0 CHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881226 1122591430 /nfs/dbraw/zinc/59/14/30/1122591430.db2.gz RKBGHWVFXPVRBF-FFSVYQOJSA-N -1 1 293.382 3.722 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1CC1CCC1 ZINC000620569527 1129065090 /nfs/dbraw/zinc/06/50/90/1129065090.db2.gz WZPJYPCHIYFBJK-CYBMUJFWSA-N -1 1 291.366 3.716 20 0 CHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436956435 1122599437 /nfs/dbraw/zinc/59/94/37/1122599437.db2.gz 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/nfs/dbraw/zinc/98/19/20/1122981920.db2.gz CFNNVHSPDZQXFE-UHFFFAOYSA-N -1 1 293.775 3.784 20 0 CHADMM [O-]c1c(F)cccc1NC(=S)Nc1ccc(F)cc1F ZINC001200928026 1123063991 /nfs/dbraw/zinc/06/39/91/1123063991.db2.gz LSIIOASBWSROGM-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CC(C)Oc1cncc(Nc2c([O-])cc(F)cc2F)c1 ZINC001201547142 1123117164 /nfs/dbraw/zinc/11/71/64/1123117164.db2.gz HIQOQOPFQPAARB-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(C2CC2)nc1 ZINC001201708484 1123138472 /nfs/dbraw/zinc/13/84/72/1123138472.db2.gz QVQBNSSYBHWGFP-UHFFFAOYSA-N -1 1 294.310 3.515 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1cc(F)cc(F)c1[O-] ZINC001202065095 1123171162 /nfs/dbraw/zinc/17/11/62/1123171162.db2.gz XKJCJQHUKXZRNI-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC001202375295 1123203408 /nfs/dbraw/zinc/20/34/08/1123203408.db2.gz SLCZUSRBWRWPQU-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1ccc([O-])c(F)c1F ZINC001202374318 1123203493 /nfs/dbraw/zinc/20/34/93/1123203493.db2.gz GOQNQCSHPZJMDW-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001202429578 1123209923 /nfs/dbraw/zinc/20/99/23/1123209923.db2.gz BZCQNCAUGNZADS-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H](F)C1 ZINC000335094261 1123297856 /nfs/dbraw/zinc/29/78/56/1123297856.db2.gz GAMAVDWVOQGCDX-RKDXNWHRSA-N -1 1 271.719 3.512 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc[nH]c1C1CCC1 ZINC000335213892 1123322684 /nfs/dbraw/zinc/32/26/84/1123322684.db2.gz DBXLMFKKQBGSHI-UHFFFAOYSA-N -1 1 292.285 3.518 20 0 CHADMM Cc1oc(C(C)C)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335221410 1123323036 /nfs/dbraw/zinc/32/30/36/1123323036.db2.gz YPKDGSCHQFQOLA-UHFFFAOYSA-N -1 1 295.285 3.948 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(F)c(F)c1)CCCCCC2 ZINC000634590581 1129119238 /nfs/dbraw/zinc/11/92/38/1129119238.db2.gz DHLXPXAJSFIZII-LBPRGKRZSA-N -1 1 292.329 3.633 20 0 CHADMM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1C1CC1 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CSc1c(F)cccc1[N-]C(=O)c1ncoc1C(C)C ZINC000857638389 1123613409 /nfs/dbraw/zinc/61/34/09/1123613409.db2.gz UUVQMQCOFTWPHX-UHFFFAOYSA-N -1 1 294.351 3.911 20 0 CHADMM [O-]c1cc(F)c(Cl)cc1-c1cnn([C@@H]2CCCCO2)c1 ZINC000857752364 1123618524 /nfs/dbraw/zinc/61/85/24/1123618524.db2.gz IVYJKHPRIYCEJU-AWEZNQCLSA-N -1 1 296.729 3.747 20 0 CHADMM O=c1nc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc(Cl)[n-]1 ZINC000858328944 1123646253 /nfs/dbraw/zinc/64/62/53/1123646253.db2.gz GCTHVCJHTSLWKS-GARJFASQSA-N -1 1 281.787 3.606 20 0 CHADMM CN(Cc1cc(Cl)cn1C)Cc1cccc([O-])c1Cl ZINC000351773762 1123649008 /nfs/dbraw/zinc/64/90/08/1123649008.db2.gz IKJLHZCRKVAAPJ-UHFFFAOYSA-N -1 1 299.201 3.670 20 0 CHADMM C[C@@H](CC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858519145 1123660208 /nfs/dbraw/zinc/66/02/08/1123660208.db2.gz SZLPTXKNJDSWGN-VIFPVBQESA-N -1 1 269.776 3.606 20 0 CHADMM O=c1nc(N[C@H]2CCCCC23CCCC3)cc(Cl)[n-]1 ZINC000858553257 1123661377 /nfs/dbraw/zinc/66/13/77/1123661377.db2.gz NATWYTPTQBDEEI-JTQLQIEISA-N -1 1 281.787 3.751 20 0 CHADMM O=c1nc(NC2CCC(C3CCC3)CC2)cc(Cl)[n-]1 ZINC000858634563 1123668470 /nfs/dbraw/zinc/66/84/70/1123668470.db2.gz UPWCDIGSSZDVCO-UHFFFAOYSA-N -1 1 281.787 3.606 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000082194490 1129141300 /nfs/dbraw/zinc/14/13/00/1129141300.db2.gz JIAJUNANOMNAJW-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM CCCCN(C(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000042373229 1123785127 /nfs/dbraw/zinc/78/51/27/1123785127.db2.gz YDGSMAJXFPSQQT-UHFFFAOYSA-N -1 1 283.371 3.950 20 0 CHADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000861781168 1123785259 /nfs/dbraw/zinc/78/52/59/1123785259.db2.gz RQUQRWQXVGALAF-HZPDHXFCSA-N -1 1 281.355 3.681 20 0 CHADMM O=C(/C=C\C1CCCCC1)Nc1cccc(F)c1[O-] ZINC000863010009 1123839898 /nfs/dbraw/zinc/83/98/98/1123839898.db2.gz MJCNHXOXTAMRPS-KTKRTIGZSA-N -1 1 263.312 3.606 20 0 CHADMM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476660 1123871771 /nfs/dbraw/zinc/87/17/71/1123871771.db2.gz LGIGXUVLNKIJAR-QXMHVHEDSA-N -1 1 299.374 3.509 20 0 CHADMM CCCCn1ncc([N-]c2nc(C(C)(C)C)ns2)c1C ZINC000302406371 1123967705 /nfs/dbraw/zinc/96/77/05/1123967705.db2.gz GQBLYXMPTJXDGS-UHFFFAOYSA-N -1 1 293.440 3.884 20 0 CHADMM Cc1nc(SCCC(F)=C(F)F)[n-]c(=O)c1C1CC1 ZINC000865373485 1123975555 /nfs/dbraw/zinc/97/55/55/1123975555.db2.gz WGSGWHFYOLMJKR-UHFFFAOYSA-N -1 1 290.310 3.928 20 0 CHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000794853987 1123999939 /nfs/dbraw/zinc/99/99/39/1123999939.db2.gz SUDNMPMXJBGYBE-WDEREUQCSA-N -1 1 269.772 3.537 20 0 CHADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000444519335 1124041468 /nfs/dbraw/zinc/04/14/68/1124041468.db2.gz LUUFRTYHOYHCIB-LLVKDONJSA-N -1 1 281.783 3.554 20 0 CHADMM C/C=C/C=C/c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449876 1124082901 /nfs/dbraw/zinc/08/29/01/1124082901.db2.gz QEUPVOPFPRLEFH-MQQKCMAXSA-N -1 1 262.696 3.685 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3ccsc3)n2)c(F)c1 ZINC000445462614 1124085711 /nfs/dbraw/zinc/08/57/11/1124085711.db2.gz LKAAUBQGEBWTOB-DAFODLJHSA-N -1 1 288.303 3.813 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C\c3ccsc3)n2)cc1F ZINC000445483723 1124086165 /nfs/dbraw/zinc/08/61/65/1124086165.db2.gz UCFMJZNANXEJCD-RJRFIUFISA-N -1 1 288.303 3.813 20 0 CHADMM Oc1cc(Cl)c(C[NH+]2CC3CC(C3)C2)c(Cl)c1 ZINC001142118557 1124468426 /nfs/dbraw/zinc/46/84/26/1124468426.db2.gz QMNCSAKSKIIUHY-UHFFFAOYSA-N -1 1 272.175 3.541 20 0 CHADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681043023 1124479611 /nfs/dbraw/zinc/47/96/11/1124479611.db2.gz FGSBCHJWQUYZFI-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM CC[C@@H](CC1CCCC1)C(=O)[N-]Oc1ccccc1 ZINC000820044081 1131274492 /nfs/dbraw/zinc/27/44/92/1131274492.db2.gz WCGAJWQGZSBYIA-AWEZNQCLSA-N -1 1 261.365 3.703 20 0 CHADMM CC[C@H](CC1CCCC1)C(=O)[N-]Oc1ccccc1 ZINC000820044082 1131274574 /nfs/dbraw/zinc/27/45/74/1131274574.db2.gz WCGAJWQGZSBYIA-CQSZACIVSA-N -1 1 261.365 3.703 20 0 CHADMM CCCN(CC(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 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O=C(Nc1ccc(F)cc1[O-])c1ccc2sccc2c1 ZINC000532267146 1125245224 /nfs/dbraw/zinc/24/52/24/1125245224.db2.gz JNOWACQECRALGD-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666028477 1125255174 /nfs/dbraw/zinc/25/51/74/1125255174.db2.gz UMBACMSYMWZYAJ-DOMZBBRYSA-N -1 1 298.386 3.591 20 0 CHADMM CCc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000225340873 1125356495 /nfs/dbraw/zinc/35/64/95/1125356495.db2.gz UCWPYSGPXMQJHA-UHFFFAOYSA-N -1 1 295.791 3.600 20 0 CHADMM O=C(CSc1ccc2c(c1)CCC2)c1ccc([O-])cc1 ZINC000035044982 1129427724 /nfs/dbraw/zinc/42/77/24/1129427724.db2.gz QWHJJBSMMARTDY-UHFFFAOYSA-N -1 1 284.380 3.856 20 0 CHADMM CC(=O)Nc1ccc(C)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241121980 1129461365 /nfs/dbraw/zinc/46/13/65/1129461365.db2.gz GYJKIXDTKJVNFM-UHFFFAOYSA-N -1 1 277.270 3.604 20 0 CHADMM Cc1cc2n[nH]cc2cc1NCc1cccc([O-])c1Cl ZINC000645177198 1129489885 /nfs/dbraw/zinc/48/98/85/1129489885.db2.gz CITMDUKNICVFGL-UHFFFAOYSA-N -1 1 287.750 3.842 20 0 CHADMM CC(C)[C@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000645176976 1129490256 /nfs/dbraw/zinc/49/02/56/1129490256.db2.gz VNFHYLOOAMAMEP-NSHDSACASA-N -1 1 281.705 3.722 20 0 CHADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c([O-])cccc1Cl ZINC000743655358 1129533379 /nfs/dbraw/zinc/53/33/79/1129533379.db2.gz SXNPMTQWPBKVNO-AAEUAGOBSA-N -1 1 293.794 3.744 20 0 CHADMM O=C([N-]C1(c2cccc3ccccc32)CC1)C(F)(F)F ZINC000169948390 1129705914 /nfs/dbraw/zinc/70/59/14/1129705914.db2.gz FNJDZUQFLGPFMY-UHFFFAOYSA-N -1 1 279.261 3.507 20 0 CHADMM CC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591396 1129737252 /nfs/dbraw/zinc/73/72/52/1129737252.db2.gz KBVRKMSDAVQBHG-UHFFFAOYSA-N -1 1 261.708 3.992 20 0 CHADMM Nc1ccc2c(Cl)nn(-c3ccc(Cl)c([O-])c3)c2c1 ZINC001212593552 1129745772 /nfs/dbraw/zinc/74/57/72/1129745772.db2.gz XDHCMFVBEDRKGL-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM CCCCN(C(=O)c1ccc(F)c([O-])c1)[C@@H](C)CC ZINC001136636549 1131401991 /nfs/dbraw/zinc/40/19/91/1131401991.db2.gz DBTWXHURALKCJS-NSHDSACASA-N -1 1 267.344 3.572 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]1c1ccccc1 ZINC000769687823 1129920340 /nfs/dbraw/zinc/92/03/40/1129920340.db2.gz BJXNMRJZEQUKOI-CYBMUJFWSA-N -1 1 287.746 3.633 20 0 CHADMM CC(C)[C@H](C)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769728933 1129922225 /nfs/dbraw/zinc/92/22/25/1129922225.db2.gz BRFSEEPOMGSTPR-JTQLQIEISA-N -1 1 281.783 3.695 20 0 CHADMM CC(C)C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769936185 1129933610 /nfs/dbraw/zinc/93/36/10/1129933610.db2.gz WQDMZAYUJBRZJZ-NSHDSACASA-N -1 1 281.783 3.554 20 0 CHADMM Cc1cnc(S[C@@H](C)C2CCCCC2)[n-]c1=O ZINC000901570557 1129937672 /nfs/dbraw/zinc/93/76/72/1129937672.db2.gz NBHWKOUHXMODFG-JTQLQIEISA-N -1 1 252.383 3.552 20 0 CHADMM CC[C@H](C)C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000901684595 1129944356 /nfs/dbraw/zinc/94/43/56/1129944356.db2.gz VVWSMLDWBJMSCD-OBJOEFQTSA-N -1 1 289.375 3.973 20 0 CHADMM CC1(C)CCC(=CC(=O)Nc2c([O-])cccc2F)CC1 ZINC000770862415 1129959644 /nfs/dbraw/zinc/95/96/44/1129959644.db2.gz OCWXHRNWNGNBMY-UHFFFAOYSA-N -1 1 277.339 3.996 20 0 CHADMM C[C@H]1CCN(Cc2ccc(-c3ccccc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018090 1129972041 /nfs/dbraw/zinc/97/20/41/1129972041.db2.gz TXFXLBCXWJASTK-XJKSGUPXSA-N -1 1 299.370 3.632 20 0 CHADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC001137753318 1131412315 /nfs/dbraw/zinc/41/23/15/1131412315.db2.gz IAWJTEDPMLORLK-CQSZACIVSA-N -1 1 291.297 3.552 20 0 CHADMM Cc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)oc1C(=O)[O-] ZINC000902263193 1129994762 /nfs/dbraw/zinc/99/47/62/1129994762.db2.gz LEFQLRZKVFAGFJ-OAHLLOKOSA-N -1 1 299.370 3.798 20 0 CHADMM CCOC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1C ZINC001242798627 1130051913 /nfs/dbraw/zinc/05/19/13/1130051913.db2.gz MUKUGXLEPLFATN-UHFFFAOYSA-N -1 1 291.734 3.593 20 0 CHADMM COc1cnc(-c2cccc([O-])c2Cl)c2[nH]ccc21 ZINC001242801118 1130058162 /nfs/dbraw/zinc/05/81/62/1130058162.db2.gz OZFRGPGGOGEPSA-UHFFFAOYSA-N -1 1 274.707 3.598 20 0 CHADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000789862722 1130279113 /nfs/dbraw/zinc/27/91/13/1130279113.db2.gz LWTMICTXAVGQFD-VWYCJHECSA-N -1 1 281.783 3.552 20 0 CHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(C(F)F)cc1 ZINC000790050814 1130288262 /nfs/dbraw/zinc/28/82/62/1130288262.db2.gz KDLONMYIQMFUOA-UHFFFAOYSA-N -1 1 298.676 3.631 20 0 CHADMM [O-]c1ccc(-c2ccc3scnc3c2)c(F)c1F ZINC001243343160 1130386681 /nfs/dbraw/zinc/38/66/81/1130386681.db2.gz XHPPQDLDVHXGBJ-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM Cc1ccc(C(F)(F)F)nc1-c1cc(F)ccc1[O-] ZINC001240693868 1130420867 /nfs/dbraw/zinc/42/08/67/1130420867.db2.gz KDAIBLRZYJJAOR-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(-c2ccccn2)n1 ZINC001240693175 1130421286 /nfs/dbraw/zinc/42/12/86/1130421286.db2.gz FNPXCTSNWLUFLR-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccnc(Cc2ccc(F)cc2)n1 ZINC001240695771 1130422349 /nfs/dbraw/zinc/42/23/49/1130422349.db2.gz RAGOCHDYQJFBQG-UHFFFAOYSA-N -1 1 298.292 3.718 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(C2CC2)nc(C2CC2)n1 ZINC001240695597 1130422516 /nfs/dbraw/zinc/42/25/16/1130422516.db2.gz NVSTZEYJYLLHTO-UHFFFAOYSA-N -1 1 270.307 3.743 20 0 CHADMM [O-]c1ccc(F)cc1-c1cnc(-c2ccccc2)cn1 ZINC001240696076 1130422761 /nfs/dbraw/zinc/42/27/61/1130422761.db2.gz ZFSNVHBGZSHNGG-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(OC2CCCCC2)n1 ZINC001240695755 1130422777 /nfs/dbraw/zinc/42/27/77/1130422777.db2.gz QETSMHJTWNTTGC-UHFFFAOYSA-N -1 1 288.322 3.700 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc2cccc(F)c21 ZINC001240698467 1130424211 /nfs/dbraw/zinc/42/42/11/1130424211.db2.gz MILHXCUBEOBRMG-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM [O-]c1ccc(-c2cc(OCc3ccccc3)ncn2)cc1F ZINC001240783319 1130468181 /nfs/dbraw/zinc/46/81/81/1130468181.db2.gz UQKSRXOGHGEBEP-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM [O-]c1ccc(-c2ccc(-c3ccc(F)cc3)nn2)cc1F ZINC001240783921 1130468361 /nfs/dbraw/zinc/46/83/61/1130468361.db2.gz ZQHKHBMTBNGVHP-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM Cc1csc2nc(C)nc(-c3ccc([O-])c(F)c3)c12 ZINC001240785982 1130469866 /nfs/dbraw/zinc/46/98/66/1130469866.db2.gz HLNPLWNUHRCETE-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM CCOC(=O)c1cccc(F)c1-c1cc(F)cc(F)c1[O-] ZINC001243506039 1130518832 /nfs/dbraw/zinc/51/88/32/1130518832.db2.gz ZGODTXFDQGLILW-UHFFFAOYSA-N -1 1 296.244 3.653 20 0 CHADMM COCC[C@H]([N-]c1nc(-c2ccccc2)no1)c1ccco1 ZINC000679472838 1130531757 /nfs/dbraw/zinc/53/17/57/1130531757.db2.gz KDCKVROGTKMMQC-ZDUSSCGKSA-N -1 1 299.330 3.519 20 0 CHADMM Clc1ccnc2c1CC[C@@H]2Oc1nc2sccc2[n-]1 ZINC001234851803 1130682759 /nfs/dbraw/zinc/68/27/59/1130682759.db2.gz ONYINOCOEOQEEM-JTQLQIEISA-N -1 1 291.763 3.739 20 0 CHADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OC2CCC2)c1 ZINC000812794027 1130717975 /nfs/dbraw/zinc/71/79/75/1130717975.db2.gz NPEKTCHOYASXQR-ZDUSSCGKSA-N -1 1 275.392 3.589 20 0 CHADMM Oc1c(F)cc(F)c(-c2ccc3oc(=S)[n-]c3c2)c1F ZINC001235998898 1130828018 /nfs/dbraw/zinc/82/80/18/1130828018.db2.gz SCMPMGQYFOMYKR-UHFFFAOYSA-N -1 1 297.257 3.906 20 0 CHADMM Oc1c(F)cc(F)c(-c2ccc([S-])c(F)c2)c1F ZINC001236001615 1130830408 /nfs/dbraw/zinc/83/04/08/1130830408.db2.gz CCXIQWVZGWZGLT-UHFFFAOYSA-N -1 1 274.238 3.904 20 0 CHADMM Cc1ccc(F)c(-c2ccc(COCC3CC3)cn2)c1[O-] ZINC001236390750 1130925234 /nfs/dbraw/zinc/92/52/34/1130925234.db2.gz ISAIAJHYZRXVKV-UHFFFAOYSA-N -1 1 287.334 3.828 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3[nH]c4c(c32)CCCC4)c1[O-] ZINC001236392140 1130926701 /nfs/dbraw/zinc/92/67/01/1130926701.db2.gz LSHJOCMIMUFGJG-UHFFFAOYSA-N -1 1 297.333 3.657 20 0 CHADMM Cc1ccc(F)c(-c2ncc(F)c3[nH]ccc32)c1[O-] ZINC001236415781 1130933318 /nfs/dbraw/zinc/93/33/18/1130933318.db2.gz STMIWZDJVWRKDM-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(F)c(O)c1 ZINC001236709683 1130998087 /nfs/dbraw/zinc/99/80/87/1130998087.db2.gz GNCHIULPZVAWBK-LBPRGKRZSA-N -1 1 289.350 3.733 20 0 CHADMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1F ZINC001135745709 1131133101 /nfs/dbraw/zinc/13/31/01/1131133101.db2.gz FHIOSGOELDJNGQ-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM CC(C)C[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817383394 1131156788 /nfs/dbraw/zinc/15/67/88/1131156788.db2.gz LAVLXVJNFKYCLY-MRXNPFEDSA-N -1 1 275.392 3.664 20 0 CHADMM [O-]c1cc(F)c(CN2CCC3(CCC3)CC2)cc1Cl ZINC001238146713 1131174409 /nfs/dbraw/zinc/17/44/09/1131174409.db2.gz MBRHLSIXDKRBCI-UHFFFAOYSA-N -1 1 283.774 3.951 20 0 CHADMM C[C@H]1CCCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238146208 1131174719 /nfs/dbraw/zinc/17/47/19/1131174719.db2.gz FRXCANFKJSELMF-JTQLQIEISA-N -1 1 271.763 3.949 20 0 CHADMM COC(=O)c1c(F)cccc1-c1c(F)ccc([O-])c1Cl ZINC001245832465 1131201981 /nfs/dbraw/zinc/20/19/81/1131201981.db2.gz WNOOPLOGELBWFN-UHFFFAOYSA-N -1 1 298.672 3.777 20 0 CHADMM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc([O-])cc1F ZINC001136802130 1131447598 /nfs/dbraw/zinc/44/75/98/1131447598.db2.gz MENMCIQGVBTHGY-KRWDZBQOSA-N -1 1 299.345 3.681 20 0 CHADMM Cc1ccc(NC(=O)Nc2c(F)cc([O-])cc2F)cc1C ZINC001202827806 1131504578 /nfs/dbraw/zinc/50/45/78/1131504578.db2.gz DNIYRWKPGDZZPI-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001143640801 1131519851 /nfs/dbraw/zinc/51/98/51/1131519851.db2.gz CGMNGRLIKIZEJC-SWLSCSKDSA-N -1 1 293.382 3.866 20 0 CHADMM Cc1cc(C)cc(NC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001202845537 1131524914 /nfs/dbraw/zinc/52/49/14/1131524914.db2.gz WDJYSKJIMVRRIP-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM Cc1ccc2c(c1)CCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144567550 1131660766 /nfs/dbraw/zinc/66/07/66/1131660766.db2.gz RAVSHCLWJFAWPG-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM CN(C/C=C/c1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144657936 1131676648 /nfs/dbraw/zinc/67/66/48/1131676648.db2.gz NQCBDSKXCNPKTJ-VMPITWQZSA-N -1 1 289.325 3.816 20 0 CHADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ccccc1 ZINC001227880584 1131757784 /nfs/dbraw/zinc/75/77/84/1131757784.db2.gz CJLMDADZWCYJLG-JTQLQIEISA-N -1 1 283.356 3.827 20 0 CHADMM Cc1ccc([C@@H](C)Oc2[n-]c(=S)nc3cnccc32)cn1 ZINC001227885030 1131759711 /nfs/dbraw/zinc/75/97/11/1131759711.db2.gz KJATWLPJGAAXLM-SNVBAGLBSA-N -1 1 298.371 3.531 20 0 CHADMM CCCN(CCC)C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001160867795 1131782222 /nfs/dbraw/zinc/78/22/22/1131782222.db2.gz FQBYKSGEIVMHML-UHFFFAOYSA-N -1 1 287.359 3.513 20 0 CHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c2ncccc12 ZINC001146492206 1131790835 /nfs/dbraw/zinc/79/08/35/1131790835.db2.gz JNBWHOHRVJAYEB-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1Cl ZINC001146713325 1131796857 /nfs/dbraw/zinc/79/68/57/1131796857.db2.gz ZAFYIAROVHVZDC-NWDGAFQWSA-N -1 1 295.810 3.992 20 0 CHADMM CC[C@@H](Oc1cc(=O)[n-]c(SC)n1)c1ccccc1F ZINC001228094626 1131808471 /nfs/dbraw/zinc/80/84/71/1131808471.db2.gz LDOQMLNJISFBMU-LLVKDONJSA-N -1 1 294.351 3.573 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC(C2CCCC2)CC1 ZINC001148540098 1131862001 /nfs/dbraw/zinc/86/20/01/1131862001.db2.gz BFHLIXLTBVRZNP-UHFFFAOYSA-N -1 1 291.366 3.574 20 0 CHADMM CC(C)[C@@H](C)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861555 1131874488 /nfs/dbraw/zinc/87/44/88/1131874488.db2.gz SNWZUSHIUQMOMS-CYBMUJFWSA-N -1 1 283.371 3.834 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)[C@H](C)CC ZINC001228553861 1131909188 /nfs/dbraw/zinc/90/91/88/1131909188.db2.gz DXPXLQUZHVLUDW-ZJUUUORDSA-N -1 1 266.337 3.504 20 0 CHADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)c1ccco1 ZINC001228764961 1131953196 /nfs/dbraw/zinc/95/31/96/1131953196.db2.gz JQLDCLYIYCWYKT-SECBINFHSA-N -1 1 272.329 3.652 20 0 CHADMM CCN(Cc1ccccc1F)Cc1ccc([O-])c(F)c1F ZINC001140893353 1131960146 /nfs/dbraw/zinc/96/01/46/1131960146.db2.gz OGCVXZNSJJDHQD-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM C[C@H](Oc1cc([O-])c(Cl)cc1Cl)c1ncccn1 ZINC001229409105 1132063785 /nfs/dbraw/zinc/06/37/85/1132063785.db2.gz BYCDHEMUYWMYBZ-ZETCQYMHSA-N -1 1 285.130 3.629 20 0 CHADMM C[C@H]1C[C@H](Oc2cc([O-])c(Cl)cc2Cl)CCO1 ZINC001229405856 1132063872 /nfs/dbraw/zinc/06/38/72/1132063872.db2.gz CAYANVWMZXYMBA-JGVFFNPUSA-N -1 1 277.147 3.645 20 0 CHADMM CCO[N-]C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC001141289076 1132071976 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CC[C@@H](C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])on1 ZINC000153668367 334676165 /nfs/dbraw/zinc/67/61/65/334676165.db2.gz AVEXOZVNEOSMNY-MRVPVSSYSA-N -1 1 294.738 3.799 20 0 CHADMM Cc1cnc(S[C@H]2CCc3c2cccc3Cl)[n-]c1=O ZINC000581022693 335998392 /nfs/dbraw/zinc/99/83/92/335998392.db2.gz FETLPGMCEOZZCH-LBPRGKRZSA-N -1 1 292.791 3.924 20 0 CHADMM C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381502858 336066794 /nfs/dbraw/zinc/06/67/94/336066794.db2.gz JLABZEGFZRFYSW-GHMZBOCLSA-N -1 1 281.783 3.659 20 0 CHADMM CC(C)(C)SCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278236003 518912240 /nfs/dbraw/zinc/91/22/40/518912240.db2.gz RZSJWQBHRDULGC-UHFFFAOYSA-N -1 1 282.340 3.613 20 0 CHADMM CC(C)C1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289380717 519566827 /nfs/dbraw/zinc/56/68/27/519566827.db2.gz BUMRDNGHSITOEG-UHFFFAOYSA-N -1 1 297.345 3.615 20 0 CHADMM Cc1[nH]c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2c1C ZINC000340329612 525424856 /nfs/dbraw/zinc/42/48/56/525424856.db2.gz YQUPCWKQFAEJEU-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM Cc1nc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)co1 ZINC000290021275 526625551 /nfs/dbraw/zinc/62/55/51/526625551.db2.gz XASAIJQOFWQHKH-UHFFFAOYSA-N -1 1 289.360 3.658 20 0 CHADMM CCNc1cc(C)ccc1NC(=O)c1ccc([O-])cc1F ZINC000191384128 528426547 /nfs/dbraw/zinc/42/65/47/528426547.db2.gz GQQDBBKREIJSBD-UHFFFAOYSA-N -1 1 288.322 3.524 20 0 CHADMM C[C@H]1CCC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000736262991 598352884 /nfs/dbraw/zinc/35/28/84/598352884.db2.gz OUQHJOJXOVSTPB-VHSXEESVSA-N -1 1 292.383 3.677 20 0 CHADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736839500 600441388 /nfs/dbraw/zinc/44/13/88/600441388.db2.gz ALJIMRIDFWDCNF-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cc2ccccc2o1 ZINC000827928469 601119074 /nfs/dbraw/zinc/11/90/74/601119074.db2.gz GQIDPRZIQZKPGY-NSHDSACASA-N -1 1 299.326 3.917 20 0 CHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000828455488 601647395 /nfs/dbraw/zinc/64/73/95/601647395.db2.gz DCTWZYADOHDEBM-PXAZEXFGSA-N -1 1 299.345 3.717 20 0 CHADMM O=C([O-])c1sccc1CN1CCCC[C@H]1c1ccco1 ZINC000833348678 601828559 /nfs/dbraw/zinc/82/85/59/601828559.db2.gz PAGVVKZXTVUWSZ-LBPRGKRZSA-N -1 1 291.372 3.767 20 0 CHADMM C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546688 605104365 /nfs/dbraw/zinc/10/43/65/605104365.db2.gz KNWWRYKWWXCYBA-LLVKDONJSA-N -1 1 298.342 3.652 20 0 CHADMM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548362 605104606 /nfs/dbraw/zinc/10/46/06/605104606.db2.gz NXTPXMQJHKNUIZ-JTQLQIEISA-N -1 1 292.766 3.559 20 0 CHADMM CCN(CCC(F)(F)F)Cc1cccc(NC(=O)[O-])c1 ZINC000833857232 605595506 /nfs/dbraw/zinc/59/55/06/605595506.db2.gz HLVAQRINDHQGHF-UHFFFAOYSA-N -1 1 290.285 3.551 20 0 CHADMM CN(Cc1cc(C(=O)[O-])ccc1F)[C@@H]1CCc2ccccc21 ZINC000833694342 605830464 /nfs/dbraw/zinc/83/04/64/605830464.db2.gz GOJVJDVKJJPPAD-QGZVFWFLSA-N -1 1 299.345 3.643 20 0 CHADMM O=C([O-])c1ccc2c(c1)C[N@H+](CC/C=C\c1ccccc1)C2 ZINC000322980297 970954139 /nfs/dbraw/zinc/95/41/39/970954139.db2.gz YXMJJQADPSJCAK-YWEYNIOJSA-N -1 1 293.366 3.804 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CC/C=C\c1ccccc1)C2 ZINC000322980297 970954143 /nfs/dbraw/zinc/95/41/43/970954143.db2.gz YXMJJQADPSJCAK-YWEYNIOJSA-N -1 1 293.366 3.804 20 0 CHADMM O=C([O-])CC[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000050925366 948921085 /nfs/dbraw/zinc/92/10/85/948921085.db2.gz IIEGWYBTTNABIP-LLVKDONJSA-N -1 1 299.773 3.698 20 0 CHADMM Cc1sc(C(=O)[O-])cc1CN(C)Cc1cccc(F)c1 ZINC000122737718 958486986 /nfs/dbraw/zinc/48/69/86/958486986.db2.gz VFLXVOINIAXVNQ-UHFFFAOYSA-N -1 1 293.363 3.526 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccsc1 ZINC000563966527 974542579 /nfs/dbraw/zinc/54/25/79/974542579.db2.gz KTYWLJPYXZRQHE-CYBMUJFWSA-N -1 1 291.372 3.685 20 0 CHADMM Cc1cc([C@H](C)N(C)Cc2cccs2)oc1C(=O)[O-] ZINC000578448351 974854944 /nfs/dbraw/zinc/85/49/44/974854944.db2.gz RYJKNRCZGOOIIV-JTQLQIEISA-N -1 1 279.361 3.541 20 0 CHADMM CC(C)c1ccc2c(c1)CCN(Cc1occc1C(=O)[O-])C2 ZINC001591973714 976580582 /nfs/dbraw/zinc/58/05/82/976580582.db2.gz IMTSUMRYHFGVFO-UHFFFAOYSA-N -1 1 299.370 3.660 20 0 CHADMM CC(C)c1ccc2c(c1)CCN(Cc1ccoc1C(=O)[O-])C2 ZINC001591974595 976591251 /nfs/dbraw/zinc/59/12/51/976591251.db2.gz ZBXWZOKYJMQREV-UHFFFAOYSA-N -1 1 299.370 3.660 20 0 CHADMM C[C@H](c1ccco1)N(Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872156880 980038598 /nfs/dbraw/zinc/03/85/98/980038598.db2.gz IZEQJAMDBIHTLF-SNVBAGLBSA-N -1 1 291.372 3.765 20 0 CHADMM CC[C@@H](NCc1occc1C(=O)[O-])c1cccc(Cl)c1 ZINC001595306245 980456990 /nfs/dbraw/zinc/45/69/90/980456990.db2.gz XTTIGQGLDWXIDC-CYBMUJFWSA-N -1 1 293.750 3.872 20 0 CHADMM CCCCCCN(Cc1ccco1)[C@@H](CC)C(=O)[O-] ZINC000903961162 981076919 /nfs/dbraw/zinc/07/69/19/981076919.db2.gz NRNQPDLMBAFMQQ-AWEZNQCLSA-N -1 1 267.369 3.525 20 0 CHADMM [O-]c1c(F)cccc1-c1cnccc1C(F)(F)F ZINC000707032392 1118603506 /nfs/dbraw/zinc/60/35/06/1118603506.db2.gz FJPPBNVUUGNTGB-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM CCCC[C@@H](C(=O)[O-])N1CC(C)(C)[C@@H]1c1cccs1 ZINC001595629032 981795140 /nfs/dbraw/zinc/79/51/40/981795140.db2.gz USQQBKALCPFNDG-AAEUAGOBSA-N -1 1 281.421 3.774 20 0 CHADMM C/C(=C/C(=O)[O-])CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC001588952761 984688730 /nfs/dbraw/zinc/68/87/30/984688730.db2.gz SSWJMWLGXUPVBW-NTMALXAHSA-N -1 1 288.372 3.508 20 0 CHADMM CC[C@H](N[C@H](C)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001597349420 987484674 /nfs/dbraw/zinc/48/46/74/987484674.db2.gz IIRMMYUZCPKRFR-MFKMUULPSA-N -1 1 291.322 3.919 20 0 CHADMM CSc1ccccc1[C@@H](C)NCc1occc1C(=O)[O-] ZINC001599826430 988604595 /nfs/dbraw/zinc/60/45/95/988604595.db2.gz PEPHCWYDFDDCHP-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM C[C@H](N[C@@H]1c2ccccc2C[C@H]1C)c1cc(C(=O)[O-])co1 ZINC001593234273 994398830 /nfs/dbraw/zinc/39/88/30/994398830.db2.gz XQCIXKLPLCQYIL-GDLVEWKHSA-N -1 1 285.343 3.562 20 0 CHADMM O=C(NCC1CCCCC1)Nc1cccc([O-])c1Cl ZINC001186880420 1122411193 /nfs/dbraw/zinc/41/11/93/1122411193.db2.gz AWYLHGCQUKVRGR-UHFFFAOYSA-N -1 1 282.771 3.747 20 0 CHADMM CCC[C@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044145 1132247141 /nfs/dbraw/zinc/24/71/41/1132247141.db2.gz GGHCWBRFSZMQPO-LURJTMIESA-N -1 1 274.151 3.832 20 0 CHADMM CCC[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231044145 1132247146 /nfs/dbraw/zinc/24/71/46/1132247146.db2.gz GGHCWBRFSZMQPO-LURJTMIESA-N -1 1 274.151 3.832 20 0 CHADMM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(Cl)c([O-])c1 ZINC001231730388 1132348510 /nfs/dbraw/zinc/34/85/10/1132348510.db2.gz AHUWKOJVPMATGB-LBPRGKRZSA-N -1 1 293.716 3.615 20 0 CHADMM Cc1nc(SC[C@@H]2CCCCC2(F)F)[n-]c(=O)c1C ZINC001165916720 1133254429 /nfs/dbraw/zinc/25/44/29/1133254429.db2.gz CGNKCRNEIIZBPY-JTQLQIEISA-N -1 1 288.363 3.717 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(F)c(O)c2)cc1Cl ZINC001214488658 1134543997 /nfs/dbraw/zinc/54/39/97/1134543997.db2.gz JVFKUMFSIOLFCG-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM CCOc1ccc(-c2cc(F)c([O-])cc2F)c(F)c1 ZINC001222082557 1135189648 /nfs/dbraw/zinc/18/96/48/1135189648.db2.gz FVEJKLNLLXFDOJ-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001202705513 1125524814 /nfs/dbraw/zinc/52/48/14/1125524814.db2.gz KXYAOWQQYBMMQW-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM C[C@H](Oc1cc([O-])c(Cl)cc1Cl)c1cnccn1 ZINC001229406310 1125554714 /nfs/dbraw/zinc/55/47/14/1125554714.db2.gz QIJDEXWVAOXDEK-ZETCQYMHSA-N -1 1 285.130 3.629 20 0 CHADMM Cc1nnc([N-]c2cc(Cl)cc(Cl)c2C)o1 ZINC001211981122 1125592990 /nfs/dbraw/zinc/59/29/90/1125592990.db2.gz PMBLLRMKZGIJSE-UHFFFAOYSA-N -1 1 258.108 3.737 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@]12C[C@H]1CCCC2 ZINC000885680683 1125620285 /nfs/dbraw/zinc/62/02/85/1125620285.db2.gz VYWLFKFAIDMKAJ-XLKFXECMSA-N -1 1 283.730 3.704 20 0 CHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000110325459 1125629626 /nfs/dbraw/zinc/62/96/26/1125629626.db2.gz JBCDQTRDHBLUGE-JTQLQIEISA-N -1 1 281.783 3.744 20 0 CHADMM Cc1nnc([N-]c2cccc(F)c2OCc2ccccc2)o1 ZINC001212018631 1125652070 /nfs/dbraw/zinc/65/20/70/1125652070.db2.gz AOYSAASCPWSCAR-UHFFFAOYSA-N -1 1 299.305 3.840 20 0 CHADMM CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711442 1125780107 /nfs/dbraw/zinc/78/01/07/1125780107.db2.gz ZAAQMCFXBCNUIY-KGLIPLIRSA-N -1 1 297.826 3.681 20 0 CHADMM CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(O)c2Cl)C1(C)C ZINC000508711444 1125780386 /nfs/dbraw/zinc/78/03/86/1125780386.db2.gz ZAAQMCFXBCNUIY-UONOGXRCSA-N -1 1 297.826 3.681 20 0 CHADMM O=C([N-]CC1(c2cccs2)CCCCC1)C(F)(F)F ZINC000739754785 1129408384 /nfs/dbraw/zinc/40/83/84/1129408384.db2.gz VRQQHWKYLSQJHQ-UHFFFAOYSA-N -1 1 291.338 3.629 20 0 CHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000668037788 1126755008 /nfs/dbraw/zinc/75/50/08/1126755008.db2.gz ILPIQXLETASIOE-TZMCWYRMSA-N -1 1 293.382 3.818 20 0 CHADMM Cc1cc2ncnc(-c3cc(F)ccc3[O-])c2s1 ZINC001240693848 1130421547 /nfs/dbraw/zinc/42/15/47/1130421547.db2.gz JKVHARZSACPEJH-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM CCCCc1nc(C)cc(-c2cc(F)ccc2[O-])n1 ZINC001240695732 1130422297 /nfs/dbraw/zinc/42/22/97/1130422297.db2.gz PAJDIVRDYYEIHR-UHFFFAOYSA-N -1 1 260.312 3.639 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001202767595 1126772468 /nfs/dbraw/zinc/77/24/68/1126772468.db2.gz IHTRBLCXCQZHLA-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM CCC/C(C)=C/C(=O)Nc1cccc([O-])c1Br ZINC000908717066 1127014140 /nfs/dbraw/zinc/01/41/40/1127014140.db2.gz RZYCQKOEZRIGLY-CMDGGOBGSA-N -1 1 298.180 3.840 20 0 CHADMM Oc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1Cl ZINC000698049104 1127014969 /nfs/dbraw/zinc/01/49/69/1127014969.db2.gz LQFONFYJFHTRET-UHFFFAOYSA-N -1 1 272.131 3.582 20 0 CHADMM CC1(CC(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909987612 1127043117 /nfs/dbraw/zinc/04/31/17/1127043117.db2.gz ZVESWNOKOUWDBK-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C2CCC2)CCC1 ZINC000909987851 1127043875 /nfs/dbraw/zinc/04/38/75/1127043875.db2.gz LJOQWGFTEQXDBD-UHFFFAOYSA-N -1 1 281.302 3.579 20 0 CHADMM CCC[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909984901 1127042081 /nfs/dbraw/zinc/04/20/81/1127042081.db2.gz CEACWQVKNQIWCM-SECBINFHSA-N -1 1 271.307 3.681 20 0 CHADMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])ccn1C(C)C ZINC000910986996 1127075781 /nfs/dbraw/zinc/07/57/81/1127075781.db2.gz IVVGXBNKKMAOHF-UHFFFAOYSA-N -1 1 294.301 3.614 20 0 CHADMM CCC[C@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273927529 1127103091 /nfs/dbraw/zinc/10/30/91/1127103091.db2.gz HFTFQUIIYBSTAO-JTQLQIEISA-N -1 1 299.798 3.705 20 0 CHADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001299372877 1127169056 /nfs/dbraw/zinc/16/90/56/1127169056.db2.gz GTLBEZTYFIPZHC-TZMCWYRMSA-N -1 1 293.382 3.868 20 0 CHADMM FC(F)n1cc([N-]c2nc(C3CCCC3)ns2)cn1 ZINC000817121472 1131144129 /nfs/dbraw/zinc/14/41/29/1131144129.db2.gz RZQAKLUKKRFJIP-UHFFFAOYSA-N -1 1 285.323 3.531 20 0 CHADMM COC[C@@H]([N-]c1nc(C(C)C)no1)c1cccc(Cl)c1 ZINC000288816792 1127364592 /nfs/dbraw/zinc/36/45/92/1127364592.db2.gz HDUWEMCVCKPESG-GFCCVEGCSA-N -1 1 295.770 3.646 20 0 CHADMM Cc1cc(Nc2cc([O-])c(Cl)cc2F)cnc1F ZINC001212186123 1127594310 /nfs/dbraw/zinc/59/43/10/1127594310.db2.gz NLISHQXPEWVDFZ-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc(C(F)(F)F)c1 ZINC000605439010 1127736233 /nfs/dbraw/zinc/73/62/33/1127736233.db2.gz UBMDLSLQVZSLNX-UHFFFAOYSA-N -1 1 299.223 3.802 20 0 CHADMM [O-]c1cccc(CN2CCC[C@H]2C(F)(F)F)c1Cl ZINC001232784753 1127853201 /nfs/dbraw/zinc/85/32/01/1127853201.db2.gz SXQRPFRFZNPADW-JTQLQIEISA-N -1 1 279.689 3.572 20 0 CHADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c([O-])cccc2F)C1(C)C ZINC000608366260 1127862647 /nfs/dbraw/zinc/86/26/47/1127862647.db2.gz HEUHJLWPNCLBNQ-MFKMUULPSA-N -1 1 277.339 3.708 20 0 CHADMM CC(C)Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365313 1127862792 /nfs/dbraw/zinc/86/27/92/1127862792.db2.gz GJJGEQIYCOJRJM-UHFFFAOYSA-N -1 1 287.334 3.982 20 0 CHADMM Cc1ccsc1CN(C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000516657141 1127882038 /nfs/dbraw/zinc/88/20/38/1127882038.db2.gz VLAUVFLFNTXCNP-SNVBAGLBSA-N -1 1 293.388 3.849 20 0 CHADMM CC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)c(F)c1 ZINC000346231040 1127907002 /nfs/dbraw/zinc/90/70/02/1127907002.db2.gz TWHHTSFMNNUSPR-UHFFFAOYSA-N -1 1 296.301 3.653 20 0 CHADMM Cc1noc(C)c1[C@@H](C)NCc1cccc([O-])c1Cl ZINC000328341875 1128077810 /nfs/dbraw/zinc/07/78/10/1128077810.db2.gz LKIRHXUOJGXXPK-MRVPVSSYSA-N -1 1 280.755 3.501 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000252174696 1128127394 /nfs/dbraw/zinc/12/73/94/1128127394.db2.gz RTYVRRPGVPQOKC-IAZYJMLFSA-N -1 1 281.783 3.600 20 0 CHADMM O=C(Nc1ccc(Cl)cc1[O-])C(F)(F)c1ccccc1 ZINC000754493668 1128252333 /nfs/dbraw/zinc/25/23/33/1128252333.db2.gz AALXOPWGBLJXQJ-UHFFFAOYSA-N -1 1 297.688 3.776 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)c(Cl)c1 ZINC000563234447 1128456730 /nfs/dbraw/zinc/45/67/30/1128456730.db2.gz ZHYGSYVZXXRFQB-NWDGAFQWSA-N -1 1 290.750 3.999 20 0 CHADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC000615227387 1128587519 /nfs/dbraw/zinc/58/75/19/1128587519.db2.gz QDQOYROIZKLNBM-ZDUSSCGKSA-N -1 1 293.411 3.605 20 0 CHADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC000569275355 1128603015 /nfs/dbraw/zinc/60/30/15/1128603015.db2.gz AQRNLHYFOZJSOK-UHFFFAOYSA-N -1 1 297.345 3.569 20 0 CHADMM O=C(Cc1cccc(Cl)c1F)Nc1ccc(F)cc1[O-] ZINC000570491990 1128625143 /nfs/dbraw/zinc/62/51/43/1128625143.db2.gz UPBWXOKFMBNKOP-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1[O-] ZINC000216538673 1117758261 /nfs/dbraw/zinc/75/82/61/1117758261.db2.gz IWKPINAMPFWVQQ-UHFFFAOYSA-N -1 1 295.310 3.959 20 0 CHADMM Cc1ccc(CN(C)[C@@H](C)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000579843165 1117907021 /nfs/dbraw/zinc/90/70/21/1117907021.db2.gz WSWDGHOEQWWOAL-JTQLQIEISA-N -1 1 293.388 3.849 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1F ZINC000180021038 1117919788 /nfs/dbraw/zinc/91/97/88/1117919788.db2.gz RYGYGEWRKLUDRB-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1CC1CCCC1 ZINC000655363682 1117942311 /nfs/dbraw/zinc/94/23/11/1117942311.db2.gz QRVOUQBQJUJBJN-CYBMUJFWSA-N -1 1 291.366 3.716 20 0 CHADMM CCCCCN(C(=O)c1cncc([O-])c1)[C@H](C)CCC ZINC000339834025 1117983427 /nfs/dbraw/zinc/98/34/27/1117983427.db2.gz JESMVMSSSDCPGD-CYBMUJFWSA-N -1 1 278.396 3.608 20 0 CHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(Cl)c1 ZINC000181829701 1118008420 /nfs/dbraw/zinc/00/84/20/1118008420.db2.gz HMFCDNYNUFPHIK-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM C[C@H](CCC1CC1)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625836012 1118030502 /nfs/dbraw/zinc/03/05/02/1118030502.db2.gz GHLXPHZJQFZZND-LLVKDONJSA-N -1 1 299.370 3.560 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000031665325 1118223143 /nfs/dbraw/zinc/22/31/43/1118223143.db2.gz OCIHBVJKIVPZPA-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM COc1ccc(-c2ccc(Cl)c([O-])c2)cc1F ZINC000065343311 1118243428 /nfs/dbraw/zinc/24/34/28/1118243428.db2.gz FZNQZOXJVNIQMF-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM Cc1cccc2c(CC(=O)Nc3cccc(F)c3[O-])c[nH]c21 ZINC001648848055 1118254141 /nfs/dbraw/zinc/25/41/41/1118254141.db2.gz XXRKBEYCRCLKRM-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM CCCC[C@@H](CC)CCCN(C)C(=O)c1cncc([O-])c1 ZINC001167333355 1118318922 /nfs/dbraw/zinc/31/89/22/1118318922.db2.gz LWYVHQKRQHIOAW-CQSZACIVSA-N -1 1 292.423 3.856 20 0 CHADMM Nc1cn(-c2cc(Cl)c([O-])c(Cl)c2)c2cccnc12 ZINC001210925687 1118424358 /nfs/dbraw/zinc/42/43/58/1118424358.db2.gz ACYFAKIELSBWSI-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM [O-]c1cc(F)c(-c2ccnc(C(F)(F)F)c2)cc1F ZINC001211339419 1118505858 /nfs/dbraw/zinc/50/58/58/1118505858.db2.gz OLKMAYHAGBAJFD-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM CCCC[C@H](CC)C(=O)Nc1c([O-])cccc1F ZINC000684163648 1118548574 /nfs/dbraw/zinc/54/85/74/1118548574.db2.gz SNGYNAIMFBLTFW-JTQLQIEISA-N -1 1 253.317 3.686 20 0 CHADMM COCc1ccc(C)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001213571349 1118678524 /nfs/dbraw/zinc/67/85/24/1118678524.db2.gz TWAFONOHHLBEDE-UHFFFAOYSA-N -1 1 285.303 3.528 20 0 CHADMM COc1ccc([O-])c(C(=O)/C=C/C=C/c2ccccc2)c1 ZINC000039002310 1118824634 /nfs/dbraw/zinc/82/46/34/1118824634.db2.gz VFASYYGWYPWQEQ-NXZHAISVSA-N -1 1 280.323 3.853 20 0 CHADMM Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868867 1119079287 /nfs/dbraw/zinc/07/92/87/1119079287.db2.gz INTQCWPIDBPTHX-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000226204212 1119327342 /nfs/dbraw/zinc/32/73/42/1119327342.db2.gz CEPVNESWSZBKAG-NRUUGDAUSA-N -1 1 281.783 3.600 20 0 CHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC000226204476 1119327430 /nfs/dbraw/zinc/32/74/30/1119327430.db2.gz SGNLKFYETJNIBN-NRUUGDAUSA-N -1 1 281.783 3.600 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCc2sccc21 ZINC000092550933 1119341720 /nfs/dbraw/zinc/34/17/20/1119341720.db2.gz IKQXTBFTSVMZHJ-SNVBAGLBSA-N -1 1 291.347 3.651 20 0 CHADMM Cc1ccccc1[C@H](C)Sc1ncc(C)c(=O)[n-]1 ZINC000566497858 1119345835 /nfs/dbraw/zinc/34/58/35/1119345835.db2.gz MWQLRUWKTOMPRY-NSHDSACASA-N -1 1 260.362 3.652 20 0 CHADMM Cc1ccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000212214844 1119586570 /nfs/dbraw/zinc/58/65/70/1119586570.db2.gz GKGNUBIBEMVREN-OAHLLOKOSA-N -1 1 289.762 3.564 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1[C@@H]2CCCCCC[C@@H]12 ZINC000613030049 1119852082 /nfs/dbraw/zinc/85/20/82/1119852082.db2.gz XIKXEVJNRPFGRS-GHMZBOCLSA-N -1 1 277.339 3.686 20 0 CHADMM CC(=Cc1ccc(Cl)cc1)C=C1SC(=S)[N-]C1=O ZINC000167144891 1120077791 /nfs/dbraw/zinc/07/77/91/1120077791.db2.gz VEOPEWMMQZNUAC-JMFBPXTISA-N -1 1 295.816 3.775 20 0 CHADMM CC1=CC[C@@](C)(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000628960232 1128889199 /nfs/dbraw/zinc/88/91/99/1128889199.db2.gz KWOLHEYAJFYHAF-OAHLLOKOSA-N -1 1 263.312 3.606 20 0 CHADMM Cc1ccc(C2(C(=O)Nc3cccc(F)c3[O-])CCC2)cc1 ZINC000628960174 1128889296 /nfs/dbraw/zinc/88/92/96/1128889296.db2.gz JNSRFPPFAAQMEA-UHFFFAOYSA-N -1 1 299.345 3.900 20 0 CHADMM CCC(CC)(CC)C(=O)Nc1cccc(F)c1[O-] ZINC000628960268 1128889640 /nfs/dbraw/zinc/88/96/40/1128889640.db2.gz BQMUVORJNOBBEL-UHFFFAOYSA-N -1 1 253.317 3.686 20 0 CHADMM COCc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328478410 1120178348 /nfs/dbraw/zinc/17/83/48/1120178348.db2.gz PUYAQEMNYKPGIM-UHFFFAOYSA-N -1 1 277.751 3.804 20 0 CHADMM [O-]c1c(F)cc(Nc2cnccc2Cl)cc1Cl ZINC001214479693 1120238215 /nfs/dbraw/zinc/23/82/15/1120238215.db2.gz DDZGWFUHBRWZFO-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000618184786 1128901181 /nfs/dbraw/zinc/90/11/81/1128901181.db2.gz GHDXSBBHZQGMMG-ZDUSSCGKSA-N -1 1 291.366 3.574 20 0 CHADMM Cc1cn2c(cccc2Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214480440 1120240552 /nfs/dbraw/zinc/24/05/52/1120240552.db2.gz QKENZKNNVKOJIT-UHFFFAOYSA-N -1 1 291.713 3.884 20 0 CHADMM CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000672263518 1120270221 /nfs/dbraw/zinc/27/02/21/1120270221.db2.gz PSGLDWJQCDRIJO-UHFFFAOYSA-N -1 1 293.725 3.999 20 0 CHADMM CSCc1cccc(-c2nc(=O)c3sccc3[n-]2)c1 ZINC000076029658 1120274096 /nfs/dbraw/zinc/27/40/96/1120274096.db2.gz LULYFJPNICUXSI-UHFFFAOYSA-N -1 1 288.397 3.515 20 0 CHADMM COc1ccc2c(c1)nc(-c1ccc(Cl)cc1[O-])n2C ZINC000228055074 1120308029 /nfs/dbraw/zinc/30/80/29/1120308029.db2.gz BRRJTBBNUSQNTR-UHFFFAOYSA-N -1 1 288.734 3.608 20 0 CHADMM Cc1cc(N)c(F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214492383 1120327306 /nfs/dbraw/zinc/32/73/06/1120327306.db2.gz ZXQHPRMSZDZPMK-UHFFFAOYSA-N -1 1 284.693 3.958 20 0 CHADMM CC1(CC(=O)Nc2ccc(F)cc2[O-])CCCCC1 ZINC000511635774 1120458915 /nfs/dbraw/zinc/45/89/15/1120458915.db2.gz IOKCFQPNGSOWBP-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM Cc1ccc(-c2ccc(CN[C@@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC000417613412 1120465652 /nfs/dbraw/zinc/46/56/52/1120465652.db2.gz ZFPFLRGQNYTVQI-INIZCTEOSA-N -1 1 299.370 3.598 20 0 CHADMM [O-]c1c(-c2nc(C3CCC3)no2)ccc2ccccc21 ZINC000086492339 1120494782 /nfs/dbraw/zinc/49/47/82/1120494782.db2.gz RCMOAUXJCGKDDP-UHFFFAOYSA-N -1 1 266.300 3.863 20 0 CHADMM COc1ccc(C(=O)Nc2ccccc2C(C)C)c([O-])c1 ZINC000019838398 1120528390 /nfs/dbraw/zinc/52/83/90/1120528390.db2.gz FCYAIRASADJSOY-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCCCC2 ZINC000509163941 1120690157 /nfs/dbraw/zinc/69/01/57/1120690157.db2.gz FLTYOLBAWQOZEC-NSHDSACASA-N -1 1 279.767 3.955 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Cl)nc1 ZINC000191522034 1128942358 /nfs/dbraw/zinc/94/23/58/1128942358.db2.gz KNVZWNLBHDYFHW-UHFFFAOYSA-N -1 1 287.121 3.845 20 0 CHADMM Cc1cnc(SCc2cccc(C(C)C)c2)[n-]c1=O ZINC000663245359 1120899768 /nfs/dbraw/zinc/89/97/68/1120899768.db2.gz FZDOGVXLJMVZKF-UHFFFAOYSA-N -1 1 274.389 3.906 20 0 CHADMM Cc1cncc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001174759508 1121042399 /nfs/dbraw/zinc/04/23/99/1121042399.db2.gz KOUDZUSODKNOPB-UHFFFAOYSA-N -1 1 297.127 3.741 20 0 CHADMM Cc1oc2ccccc2c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000344045494 1121065144 /nfs/dbraw/zinc/06/51/44/1121065144.db2.gz ITAWWWKXYBSHAP-UHFFFAOYSA-N -1 1 299.301 3.767 20 0 CHADMM COCc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174920812 1121096298 /nfs/dbraw/zinc/09/62/98/1121096298.db2.gz AOQMCOOWLSJWNU-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM Fc1ccc([N-]c2nnco2)cc1OCc1ccccc1 ZINC001174989930 1121119573 /nfs/dbraw/zinc/11/95/73/1121119573.db2.gz PMAIQZQMCTVDMI-UHFFFAOYSA-N -1 1 285.278 3.531 20 0 CHADMM CCOc1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001175004555 1121129256 /nfs/dbraw/zinc/12/92/56/1121129256.db2.gz DPXDMMSCINFQPU-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM [O-]c1cc(Nc2c(F)cc(O)cc2F)c(F)cc1Cl ZINC001175099957 1121164602 /nfs/dbraw/zinc/16/46/02/1121164602.db2.gz JFSBFDCLIHPFNU-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000168779064 1121237802 /nfs/dbraw/zinc/23/78/02/1121237802.db2.gz WKGSTWRMJRKSPY-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM CCCC[C@H](CCC)Sc1nc(C(=O)OC)c[n-]1 ZINC000432663754 1121260328 /nfs/dbraw/zinc/26/03/28/1121260328.db2.gz KMHKJPAMTXIPAT-JTQLQIEISA-N -1 1 270.398 3.647 20 0 CHADMM CCOc1c(F)cccc1Nc1c([O-])cc(F)cc1F ZINC001212536122 1121261090 /nfs/dbraw/zinc/26/10/90/1121261090.db2.gz LBXRIQURXKOFJI-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CSc1c(F)cccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000617275078 1121264857 /nfs/dbraw/zinc/26/48/57/1121264857.db2.gz SHJFIMNGXMLNSN-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cnc3cccnc3c2)n1 ZINC001175354265 1121293335 /nfs/dbraw/zinc/29/33/35/1121293335.db2.gz XVYPTRZWRYWKAL-UHFFFAOYSA-N -1 1 285.376 3.522 20 0 CHADMM COc1ncc([N-]c2cc(-c3cccc(F)c3)no2)s1 ZINC001175388885 1121309397 /nfs/dbraw/zinc/30/93/97/1121309397.db2.gz RNFVUDFTTCUIAB-UHFFFAOYSA-N -1 1 291.307 3.689 20 0 CHADMM Cc1nc(S[C@H](C)c2ccncc2)[n-]c(=O)c1C1CC1 ZINC000631024149 1128979005 /nfs/dbraw/zinc/97/90/05/1128979005.db2.gz LYAZDPVFUBVQCO-SNVBAGLBSA-N -1 1 287.388 3.616 20 0 CHADMM CC[C@@H](C)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024463 1128979373 /nfs/dbraw/zinc/97/93/73/1128979373.db2.gz UPLJPFSNZOCRKS-MRVPVSSYSA-N -1 1 252.383 3.506 20 0 CHADMM Cc1ccc2n[nH]cc2c1Nc1cc(F)c([O-])cc1F ZINC001175527228 1121371617 /nfs/dbraw/zinc/37/16/17/1121371617.db2.gz IFNRGODVGFDVGJ-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM CC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000676055998 1121400079 /nfs/dbraw/zinc/40/00/79/1121400079.db2.gz POKCEQPLEIMBNS-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM Cc1n[nH]c2ccc(Nc3cc([O-])c(F)c(F)c3)cc12 ZINC001175700713 1121419472 /nfs/dbraw/zinc/41/94/72/1121419472.db2.gz TWBOZIKRAMDVMS-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1[nH]nc2ccc(Nc3cc([O-])c(F)c(F)c3)cc12 ZINC001175700713 1121419478 /nfs/dbraw/zinc/41/94/78/1121419478.db2.gz TWBOZIKRAMDVMS-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1n[nH]c2cc(Nc3ccc(F)c(F)c3[O-])ccc12 ZINC001175666535 1121429519 /nfs/dbraw/zinc/42/95/19/1121429519.db2.gz YMHRNJLPHILZFD-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cn1ccc2c1cccc2Nc1ccc(F)c(F)c1[O-] ZINC001175868199 1121486652 /nfs/dbraw/zinc/48/66/52/1121486652.db2.gz CKQJOGNTCGNNEY-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])cc(C)c1N ZINC001175937749 1121488989 /nfs/dbraw/zinc/48/89/89/1121488989.db2.gz HKPURAFZYRBWSO-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccc(Br)cc2)c1=O ZINC000614185811 1121514970 /nfs/dbraw/zinc/51/49/70/1121514970.db2.gz RKFJFWZBJUDCDT-GFCCVEGCSA-N -1 1 295.180 3.588 20 0 CHADMM COc1cccc2[nH]c(Nc3cc([O-])c(F)c(F)c3)cc21 ZINC001176063073 1121545976 /nfs/dbraw/zinc/54/59/76/1121545976.db2.gz ACYUNQNEFMHYRS-UHFFFAOYSA-N -1 1 290.269 3.904 20 0 CHADMM CCCCOc1cccc(F)c1[N-]c1nc(C)ns1 ZINC001211792388 1121593533 /nfs/dbraw/zinc/59/35/33/1121593533.db2.gz ATEZYVVWFUJIJI-UHFFFAOYSA-N -1 1 281.356 3.908 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1csc(CO)c1 ZINC001176369963 1121616608 /nfs/dbraw/zinc/61/66/08/1121616608.db2.gz JFKYRHWPAFBCNX-UHFFFAOYSA-N -1 1 290.171 3.996 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(OCC2CC2)c1 ZINC001176492536 1121638627 /nfs/dbraw/zinc/63/86/27/1121638627.db2.gz DNHZXBJWFJNNFQ-UHFFFAOYSA-N -1 1 290.750 3.973 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cn(CC3CCC3)cn2)c1F ZINC001176669502 1121670900 /nfs/dbraw/zinc/67/09/00/1121670900.db2.gz ILDJNSWCBDYRJV-UHFFFAOYSA-N -1 1 297.280 3.550 20 0 CHADMM COCOc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670846 1121671825 /nfs/dbraw/zinc/67/18/25/1121671825.db2.gz NIJGVQFQCSGKBT-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM CCOc1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671447 1121673000 /nfs/dbraw/zinc/67/30/00/1121673000.db2.gz DEBUKWYDKNQJBL-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2OCCC3)c1F ZINC001176671277 1121673293 /nfs/dbraw/zinc/67/32/93/1121673293.db2.gz WHINEGXSFFXTMN-UHFFFAOYSA-N -1 1 295.260 3.878 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2c(O)cc(F)cc2F)c1F ZINC001176672035 1121673411 /nfs/dbraw/zinc/67/34/11/1121673411.db2.gz ROYIYJPSMJYJCB-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Cl)c2O)c1F ZINC001176671355 1121673509 /nfs/dbraw/zinc/67/35/09/1121673509.db2.gz AOYFRVZJMNJQKW-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM Cc1nc(SCCCSCC(C)C)[n-]c(=O)c1C ZINC001165918352 1121735138 /nfs/dbraw/zinc/73/51/38/1121735138.db2.gz XZMUSBZLCQHAPJ-UHFFFAOYSA-N -1 1 286.466 3.670 20 0 CHADMM Cc1cccc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182866415 1129007070 /nfs/dbraw/zinc/00/70/70/1129007070.db2.gz FXAXTMQQPOUQLH-UHFFFAOYSA-N -1 1 275.735 3.915 20 0 CHADMM CC(C)(/C=C/Cl)NC(=O)c1cc2ccccc2cc1[O-] ZINC001178214518 1121772459 /nfs/dbraw/zinc/77/24/59/1121772459.db2.gz OYBCSIFNCZCWGX-BQYQJAHWSA-N -1 1 289.762 3.806 20 0 CHADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)[C@H]1c1ccccc1 ZINC001180141592 1121950519 /nfs/dbraw/zinc/95/05/19/1121950519.db2.gz GWPDBBHYRZYHNL-APPDUMDISA-N -1 1 289.325 3.863 20 0 CHADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(C)n1 ZINC001249958144 1121959691 /nfs/dbraw/zinc/95/96/91/1121959691.db2.gz IYFUZYSZCKIZRY-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM CC(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181492799 1122058746 /nfs/dbraw/zinc/05/87/46/1122058746.db2.gz KCXFPSOTVOTHDP-MRVPVSSYSA-N -1 1 275.270 3.642 20 0 CHADMM CCN(Cc1cccc([O-])c1Cl)c1cccc(O)c1 ZINC001182880374 1122193309 /nfs/dbraw/zinc/19/33/09/1122193309.db2.gz HDUDFZDSUVIZLK-UHFFFAOYSA-N -1 1 277.751 3.778 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])C1CCC(C2CC2)CC1 ZINC001183054276 1122203344 /nfs/dbraw/zinc/20/33/44/1122203344.db2.gz JPDHAPDAACJJLO-UHFFFAOYSA-N -1 1 277.339 3.686 20 0 CHADMM CCc1onc(C)c1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000867038151 1122329842 /nfs/dbraw/zinc/32/98/42/1122329842.db2.gz IRDFZLFNULEJBG-UHFFFAOYSA-N -1 1 293.392 3.552 20 0 CHADMM [O-]c1cc(F)c(Cc2c(F)ccc(F)c2F)cc1F ZINC001250218087 1122364808 /nfs/dbraw/zinc/36/48/08/1122364808.db2.gz YEACLAQPYHCZRI-UHFFFAOYSA-N -1 1 274.188 3.679 20 0 CHADMM [O-]c1ccc(F)c(Nc2cccc3nccn32)c1Cl ZINC001250227986 1122373622 /nfs/dbraw/zinc/37/36/22/1122373622.db2.gz GBZRYCGPWKYOPK-UHFFFAOYSA-N -1 1 277.686 3.576 20 0 CHADMM C[C@@H](NC(=O)Nc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001186344495 1122387773 /nfs/dbraw/zinc/38/77/73/1122387773.db2.gz JAKXHDHUSCRXLO-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM C[C@H](NC(=O)Nc1cc([O-])c(F)cc1F)C1CCCCC1 ZINC001186390092 1122388320 /nfs/dbraw/zinc/38/83/20/1122388320.db2.gz ZWCJGEVKDNQQEP-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(F)cc1[O-] ZINC001187696020 1122439644 /nfs/dbraw/zinc/43/96/44/1122439644.db2.gz GBEHLJSTYXBBHJ-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1F ZINC001187992142 1122449927 /nfs/dbraw/zinc/44/99/27/1122449927.db2.gz ZIGMKGXTBMJJRR-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM CSc1cccc(NC(=O)Nc2cccc(F)c2[O-])c1 ZINC001188047460 1122451454 /nfs/dbraw/zinc/45/14/54/1122451454.db2.gz IWNFUJYWIPTQHG-UHFFFAOYSA-N -1 1 292.335 3.897 20 0 CHADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000435799902 1122489984 /nfs/dbraw/zinc/48/99/84/1122489984.db2.gz RHJHLKXYBVDQOV-HNHYXYPQSA-N -1 1 285.318 3.520 20 0 CHADMM Cc1cnc(SC[C@@H](C)CC(C)(C)C)[n-]c1=O ZINC001189399439 1122499999 /nfs/dbraw/zinc/49/99/99/1122499999.db2.gz PQNUZESJDNGJSD-VIFPVBQESA-N -1 1 254.399 3.655 20 0 CHADMM CCc1cc(=O)[n-]c(SCCc2ccccc2CC)n1 ZINC000436245638 1122526741 /nfs/dbraw/zinc/52/67/41/1122526741.db2.gz WMSYWSVLDDDVQI-UHFFFAOYSA-N -1 1 288.416 3.642 20 0 CHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000436477445 1122554488 /nfs/dbraw/zinc/55/44/88/1122554488.db2.gz LVXGGLHPQOPPEB-UHFFFAOYSA-N -1 1 287.384 3.747 20 0 CHADMM [O-]c1ccc(-c2nc(-c3ccc(F)cc3F)no2)c(F)c1 ZINC000436534560 1122558343 /nfs/dbraw/zinc/55/83/43/1122558343.db2.gz KOGUROJVGVNURV-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436540312 1122560844 /nfs/dbraw/zinc/56/08/44/1122560844.db2.gz WGYSVRFYJXDAOV-SMDDNHRTSA-N -1 1 279.355 3.572 20 0 CHADMM O=C(Nc1cccc(C2CCC2)c1)c1ccc(O)cc1[O-] ZINC000436665309 1122569497 /nfs/dbraw/zinc/56/94/97/1122569497.db2.gz NNWGEUBAJRYTII-UHFFFAOYSA-N -1 1 283.327 3.618 20 0 CHADMM CCCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633148821 1129063272 /nfs/dbraw/zinc/06/32/72/1129063272.db2.gz RVORAWKIWXDDOO-LLVKDONJSA-N -1 1 283.799 3.625 20 0 CHADMM CCc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)c([O-])c1 ZINC000436822818 1122587324 /nfs/dbraw/zinc/58/73/24/1122587324.db2.gz QUHBLTGQNAXZPS-ZDUSSCGKSA-N -1 1 295.382 3.794 20 0 CHADMM [O-]c1ccc(-c2noc([C@H](F)c3ccccc3)n2)c(F)c1 ZINC000436878200 1122590070 /nfs/dbraw/zinc/59/00/70/1122590070.db2.gz IYWJJDUIBGOSSS-CYBMUJFWSA-N -1 1 288.253 3.640 20 0 CHADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436919231 1122594986 /nfs/dbraw/zinc/59/49/86/1122594986.db2.gz MXCSLEPQDMJCES-LLVKDONJSA-N -1 1 295.810 3.944 20 0 CHADMM CC(C)C1CCC(N(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436950009 1122596545 /nfs/dbraw/zinc/59/65/45/1122596545.db2.gz NJAVQOJIOCIVPG-UHFFFAOYSA-N -1 1 293.382 3.818 20 0 CHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436956368 1122599386 /nfs/dbraw/zinc/59/93/86/1122599386.db2.gz QQAUZBAXFMPVHZ-ZDUSSCGKSA-N -1 1 295.382 3.950 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(C1)CCCCC2 ZINC000436988745 1122601136 /nfs/dbraw/zinc/60/11/36/1122601136.db2.gz YDCBBHFARYVXHM-UHFFFAOYSA-N -1 1 295.382 3.952 20 0 CHADMM O=S(=O)(CC1CCCC1)[N-]c1cc2c(s1)CCCC2 ZINC001191493868 1122602044 /nfs/dbraw/zinc/60/20/44/1122602044.db2.gz NVUDPJWDPIAMSM-UHFFFAOYSA-N -1 1 299.461 3.559 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620568652 1129066113 /nfs/dbraw/zinc/06/61/13/1129066113.db2.gz PLLNAWOCVPEFLX-CQSZACIVSA-N -1 1 291.366 3.716 20 0 CHADMM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(F)c2F)CC(C)(C)C1 ZINC001192679494 1122655630 /nfs/dbraw/zinc/65/56/30/1122655630.db2.gz VPZYEYRGTQARID-ZJUUUORDSA-N -1 1 297.345 3.615 20 0 CHADMM C[C@@H](CC(C)(C)C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633380788 1129070966 /nfs/dbraw/zinc/07/09/66/1129070966.db2.gz BHUNAIXOGBZBNM-JTQLQIEISA-N -1 1 283.799 3.529 20 0 CHADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000438151041 1122683635 /nfs/dbraw/zinc/68/36/35/1122683635.db2.gz KPRONQPIALRHMY-XYPYZODXSA-N -1 1 265.328 3.686 20 0 CHADMM CC1(C)CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000438507215 1122706572 /nfs/dbraw/zinc/70/65/72/1122706572.db2.gz JBFIPDVKSGEVJE-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM CC(C)c1ccccc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194770597 1122803763 /nfs/dbraw/zinc/80/37/63/1122803763.db2.gz JVGHUIXALBLIMK-UHFFFAOYSA-N -1 1 297.280 3.804 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1ccccc1[C@@H](C)CC ZINC001195449214 1122868127 /nfs/dbraw/zinc/86/81/27/1122868127.db2.gz KUOIQJJVUNDVEH-JTQLQIEISA-N -1 1 280.393 3.643 20 0 CHADMM [O-]c1c(F)cc(NC(=S)Nc2ccccc2F)cc1F ZINC001195776265 1122887655 /nfs/dbraw/zinc/88/76/55/1122887655.db2.gz NVCQAQLCFAPCHB-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ncccc1[O-] ZINC000426835363 1122918829 /nfs/dbraw/zinc/91/88/29/1122918829.db2.gz QXHQGNNPVXOJNG-QGZVFWFLSA-N -1 1 298.386 3.565 20 0 CHADMM C[C@@H]1CCC[C@H](N(C)Cc2c(F)ccc(O)c2F)C1 ZINC000507190038 1122937508 /nfs/dbraw/zinc/93/75/08/1122937508.db2.gz YAQOQORWWBOOGH-MNOVXSKESA-N -1 1 269.335 3.681 20 0 CHADMM O=C(Nc1cccc(Cl)c1O)c1cccc(Cl)c1[O-] ZINC000775793998 1122972193 /nfs/dbraw/zinc/97/21/93/1122972193.db2.gz SVDOZEVDRVUXFF-UHFFFAOYSA-N -1 1 298.125 3.657 20 0 CHADMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(Cl)o2)c(F)c1 ZINC000334337329 1122988296 /nfs/dbraw/zinc/98/82/96/1122988296.db2.gz VMVJCBFKAZWRJJ-UHFFFAOYSA-N -1 1 299.660 3.666 20 0 CHADMM CC[C@@H](F)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000440604960 1123020893 /nfs/dbraw/zinc/02/08/93/1123020893.db2.gz XUEXRTRGGTWWMG-GFCCVEGCSA-N -1 1 292.379 3.998 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1ccc([O-])c(F)c1F ZINC001202063022 1123171364 /nfs/dbraw/zinc/17/13/64/1123171364.db2.gz CLRIHXBNRWMZMG-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1cccc(NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001202317970 1123198878 /nfs/dbraw/zinc/19/88/78/1123198878.db2.gz RYEMJFMGJZQERU-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM CC[C@H](C)Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001168008529 1123224298 /nfs/dbraw/zinc/22/42/98/1123224298.db2.gz BKQHXNNQYZPENG-UWVGGRQHSA-N -1 1 288.313 3.637 20 0 CHADMM [O-]c1cccc(CN2CCc3c(F)cccc3C2)c1Cl ZINC000508368911 1123285104 /nfs/dbraw/zinc/28/51/04/1123285104.db2.gz HTDLKHZIYOZTTH-UHFFFAOYSA-N -1 1 291.753 3.743 20 0 CHADMM CC(C)CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000442645408 1123332130 /nfs/dbraw/zinc/33/21/30/1123332130.db2.gz IJVLMIYVGJDGPY-UHFFFAOYSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442853166 1123345906 /nfs/dbraw/zinc/34/59/06/1123345906.db2.gz UKWGHNFXWRDZKO-UHFFFAOYSA-N -1 1 287.340 3.542 20 0 CHADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634599376 1129120129 /nfs/dbraw/zinc/12/01/29/1129120129.db2.gz HDXYDRRDTNPJCJ-JSGCOSHPSA-N -1 1 256.349 3.526 20 0 CHADMM CCc1c(C(C)C)[n-]n(-c2ccnc3ccccc32)c1=O ZINC000634602916 1129120672 /nfs/dbraw/zinc/12/06/72/1129120672.db2.gz JFJVJNCFQYJSBV-GFCCVEGCSA-N -1 1 281.359 3.620 20 0 CHADMM CCCCc1cc(=O)n(-c2ccnc3ccccc32)[n-]1 ZINC000634602981 1129121010 /nfs/dbraw/zinc/12/10/10/1129121010.db2.gz LHTIWEYETQZTPF-UHFFFAOYSA-N -1 1 267.332 3.518 20 0 CHADMM CCCc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CC ZINC000634618293 1129121515 /nfs/dbraw/zinc/12/15/15/1129121515.db2.gz MESZDQCYLXFRRF-SNVBAGLBSA-N -1 1 299.296 3.629 20 0 CHADMM CN(CCC(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000098109516 1123581086 /nfs/dbraw/zinc/58/10/86/1123581086.db2.gz SXZIIJQBQHHCCT-UHFFFAOYSA-N -1 1 297.276 3.570 20 0 CHADMM C[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C(C)(C)C1 ZINC000896809086 1123629263 /nfs/dbraw/zinc/62/92/63/1123629263.db2.gz DHCHLQCKIOETCB-NSHDSACASA-N -1 1 299.370 3.512 20 0 CHADMM O=c1nc(NCCC2=CCCCCC2)cc(Cl)[n-]1 ZINC000858487040 1123657867 /nfs/dbraw/zinc/65/78/67/1123657867.db2.gz UMIWLEICCUPWNG-UHFFFAOYSA-N -1 1 267.760 3.528 20 0 CHADMM O=c1nc(N[C@@H]2CCCC23CCCCC3)cc(Cl)[n-]1 ZINC000858619381 1123667477 /nfs/dbraw/zinc/66/74/77/1123667477.db2.gz ADKKZUWNXCQCIX-SNVBAGLBSA-N -1 1 281.787 3.751 20 0 CHADMM C[Si](C)(C)CCCC(=O)Nc1cccc(F)c1[O-] ZINC000863008025 1123839824 /nfs/dbraw/zinc/83/98/24/1123839824.db2.gz FIYCPQJMNNRGDK-UHFFFAOYSA-N -1 1 269.392 3.588 20 0 CHADMM COc1cc(C)c(/C=C/C(=O)c2ccc([O-])cc2)cc1OC ZINC000083522402 1129150226 /nfs/dbraw/zinc/15/02/26/1129150226.db2.gz ODPWCSRNARCLQG-RMKNXTFCSA-N -1 1 298.338 3.614 20 0 CHADMM CC(C)c1ccc2nc(-c3ccc(F)cn3)[n-]c(=O)c2c1 ZINC000487472250 1123890244 /nfs/dbraw/zinc/89/02/44/1123890244.db2.gz KKUDOHPRBMKTOL-UHFFFAOYSA-N -1 1 283.306 3.660 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665677463 1123927493 /nfs/dbraw/zinc/92/74/93/1123927493.db2.gz XKSKQFRIRCXFQA-HNNXBMFYSA-N -1 1 295.382 3.808 20 0 CHADMM COC1CCC(CC(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000121001219 1124051710 /nfs/dbraw/zinc/05/17/10/1124051710.db2.gz NPARDRKDSXYYAO-UHFFFAOYSA-N -1 1 297.782 3.579 20 0 CHADMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000445463987 1124083855 /nfs/dbraw/zinc/08/38/55/1124083855.db2.gz RMNMOZPWRHPUBL-UHFFFAOYSA-N -1 1 298.317 3.907 20 0 CHADMM Cc1cccc(-n2[n-]c(CC3CCCC3)cc2=O)c1 ZINC001245932087 1131254053 /nfs/dbraw/zinc/25/40/53/1131254053.db2.gz OJEYOHRKZHDDRI-UHFFFAOYSA-N -1 1 256.349 3.619 20 0 CHADMM Cc1nc(SCSC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000871679552 1124626290 /nfs/dbraw/zinc/62/62/90/1124626290.db2.gz MUGIWCGCAZRVDU-UHFFFAOYSA-N -1 1 284.450 3.949 20 0 CHADMM O=C(CCCc1ccsc1)Nc1c([O-])cccc1F ZINC000783591892 1131288883 /nfs/dbraw/zinc/28/88/83/1131288883.db2.gz QAOFIUVVWJAUTB-UHFFFAOYSA-N -1 1 279.336 3.554 20 0 CHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CCCCCC1 ZINC001153920482 1124833246 /nfs/dbraw/zinc/83/32/46/1124833246.db2.gz TVCAWXRHTOJOHX-NSHDSACASA-N -1 1 279.355 3.620 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCC12CC2 ZINC000528875636 1124833500 /nfs/dbraw/zinc/83/35/00/1124833500.db2.gz KBYVSFYXVKMQNM-JTQLQIEISA-N -1 1 265.740 3.564 20 0 CHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccccc1[O-] ZINC001136406077 1131314950 /nfs/dbraw/zinc/31/49/50/1131314950.db2.gz GTNNWLZDCMKOJI-UHFFFAOYSA-N -1 1 289.334 3.896 20 0 CHADMM CC(C)(C)c1ncsc1C(=O)Nc1cccc(F)c1[O-] ZINC000530005904 1125113089 /nfs/dbraw/zinc/11/30/89/1125113089.db2.gz NVYHOLABWMMLGJ-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cccc(Cl)c1F ZINC000530179013 1125129550 /nfs/dbraw/zinc/12/95/50/1125129550.db2.gz KNZGYVKSSLLTNX-PEGIJTEDSA-N -1 1 299.773 3.553 20 0 CHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000146603712 1125131219 /nfs/dbraw/zinc/13/12/19/1125131219.db2.gz RIGSOTRGDVYCGJ-UHFFFAOYSA-N -1 1 275.373 3.611 20 0 CHADMM CCc1cnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000190971363 1125320787 /nfs/dbraw/zinc/32/07/87/1125320787.db2.gz GOYMQCYGYXEHBR-UHFFFAOYSA-N -1 1 297.767 3.709 20 0 CHADMM C=C/C=C/CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000882277907 1125342031 /nfs/dbraw/zinc/34/20/31/1125342031.db2.gz RPDQKPYNIAXURE-SNAWJCMRSA-N -1 1 262.378 3.592 20 0 CHADMM C[C@@H]1CCCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897427253 1125344388 /nfs/dbraw/zinc/34/43/88/1125344388.db2.gz XHNBTTNGJICCEV-GFCCVEGCSA-N -1 1 299.370 3.513 20 0 CHADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])cc(C)c1O ZINC001211917167 1125392483 /nfs/dbraw/zinc/39/24/83/1125392483.db2.gz QBMAROFBLABYSA-UHFFFAOYSA-N -1 1 265.259 3.736 20 0 CHADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001137187607 1125397873 /nfs/dbraw/zinc/39/78/73/1125397873.db2.gz DEBRZTOFDXLMOA-SWLSCSKDSA-N -1 1 299.345 3.550 20 0 CHADMM O=C(CCC1CCCCC1)Nc1ccc(F)cc1[O-] ZINC000532621865 1125428986 /nfs/dbraw/zinc/42/89/86/1125428986.db2.gz ITZDQQAGOWYZHU-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM CC(C)c1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000622467187 1129261384 /nfs/dbraw/zinc/26/13/84/1129261384.db2.gz LCQPPVGSGKOAAB-UHFFFAOYSA-N -1 1 287.334 3.836 20 0 CHADMM Nc1nc2cc(Nc3cc(F)c([O-])cc3F)ccc2s1 ZINC001160006586 1131370451 /nfs/dbraw/zinc/37/04/51/1131370451.db2.gz ZRHIPYSZWRVTLK-UHFFFAOYSA-N -1 1 293.298 3.606 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C[C@@H](C)C1 ZINC000740142703 1129411423 /nfs/dbraw/zinc/41/14/23/1129411423.db2.gz WPJGDDXMFZEYEJ-URLYPYJESA-N -1 1 281.783 3.600 20 0 CHADMM [O-]c1cc(F)c(-c2cc(OCC3CC3)ccn2)c(F)c1 ZINC001241118448 1129456616 /nfs/dbraw/zinc/45/66/16/1129456616.db2.gz FBFOYJXYHULDOR-UHFFFAOYSA-N -1 1 277.270 3.521 20 0 CHADMM [O-]c1cc(F)c(-c2cc(F)cc(F)c2F)c(F)c1 ZINC001241121677 1129459272 /nfs/dbraw/zinc/45/92/72/1129459272.db2.gz ARTHHBFHXDPCAL-UHFFFAOYSA-N -1 1 260.161 3.755 20 0 CHADMM Cc1nc(-c2cc([O-])cc(F)c2)nc(C)c1CC(C)C ZINC001241260905 1129502076 /nfs/dbraw/zinc/50/20/76/1129502076.db2.gz CASHQLOTKASBHL-UHFFFAOYSA-N -1 1 274.339 3.804 20 0 CHADMM CC1(C)CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000743641532 1129533479 /nfs/dbraw/zinc/53/34/79/1129533479.db2.gz KKQRUCZUFYMLBI-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(C2CC2)CC1 ZINC000646770250 1129544123 /nfs/dbraw/zinc/54/41/23/1129544123.db2.gz ITPVMJPMGCYUSU-UHFFFAOYSA-N -1 1 295.382 3.808 20 0 CHADMM O=C(OC/C=C\c1ccccc1)c1c([O-])cc(F)cc1F ZINC000745515649 1129607084 /nfs/dbraw/zinc/60/70/84/1129607084.db2.gz YMJPNZPEMNCFPS-DAXSKMNVSA-N -1 1 290.265 3.541 20 0 CHADMM CSc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147684 1129663083 /nfs/dbraw/zinc/66/30/83/1129663083.db2.gz DATBMBFYUIJAPT-UHFFFAOYSA-N -1 1 286.278 3.590 20 0 CHADMM CSc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242148367 1129663790 /nfs/dbraw/zinc/66/37/90/1129663790.db2.gz VTXIQWYLYLVAJL-UHFFFAOYSA-N -1 1 286.278 3.590 20 0 CHADMM CSCc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136600218 1131389113 /nfs/dbraw/zinc/38/91/13/1131389113.db2.gz JGEILKJIJAYZCI-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CCCC1 ZINC000651554792 1129741878 /nfs/dbraw/zinc/74/18/78/1129741878.db2.gz WJSVGVCMSURIAV-NWDGAFQWSA-N -1 1 279.767 3.810 20 0 CHADMM Nc1cc(Cl)cc2c1cnn2-c1ccc(Cl)c([O-])c1 ZINC001212594202 1129752440 /nfs/dbraw/zinc/75/24/40/1129752440.db2.gz UOPXXROGAMYJSU-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM [O-]c1c(Cl)cccc1-c1cccc2nccnc21 ZINC001242364159 1129797546 /nfs/dbraw/zinc/79/75/46/1129797546.db2.gz FJPOHBVKTPTRHE-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM O=c1cc(-c2ccccc2)nc(SCCC2CC2)[n-]1 ZINC000901618355 1129939535 /nfs/dbraw/zinc/93/95/35/1129939535.db2.gz FIXRHZFLCLIBAG-UHFFFAOYSA-N -1 1 272.373 3.741 20 0 CHADMM CCCc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000901942986 1129967408 /nfs/dbraw/zinc/96/74/08/1129967408.db2.gz RHVCANQTAYXHFA-UHFFFAOYSA-N -1 1 287.359 3.529 20 0 CHADMM Cc1oc(CNC2(c3ccc(C)cc3)CCC2)cc1C(=O)[O-] ZINC000902309062 1129999380 /nfs/dbraw/zinc/99/93/80/1129999380.db2.gz HSWKKZJFDLUQER-UHFFFAOYSA-N -1 1 299.370 3.764 20 0 CHADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902334707 1130000847 /nfs/dbraw/zinc/00/08/47/1130000847.db2.gz BHUAFRBEBLFOBR-MRXNPFEDSA-N -1 1 291.322 3.532 20 0 CHADMM CC(C)c1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902355767 1130002528 /nfs/dbraw/zinc/00/25/28/1130002528.db2.gz QJHASHGYNUKIMM-HJWRWDBZSA-N -1 1 299.370 3.791 20 0 CHADMM CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])o1)CC2 ZINC000902441789 1130011695 /nfs/dbraw/zinc/01/16/95/1130011695.db2.gz MDGNRPDWIIQZCW-MRXNPFEDSA-N -1 1 299.370 3.878 20 0 CHADMM CCOC(=O)c1cnc(-c2cccc([O-])c2Cl)c(C)c1 ZINC001242797277 1130046867 /nfs/dbraw/zinc/04/68/67/1130046867.db2.gz GNBBAOKUHUBXIM-UHFFFAOYSA-N -1 1 291.734 3.593 20 0 CHADMM [O-]c1cccc(-c2cc3ccccc3nn2)c1Cl ZINC001242797787 1130048767 /nfs/dbraw/zinc/04/87/67/1130048767.db2.gz MCGDXOWNIVWPEE-UHFFFAOYSA-N -1 1 256.692 3.656 20 0 CHADMM Cc1cc2c(cc1-c1cccc([O-])c1Cl)CC(=O)N2 ZINC001242802318 1130056277 /nfs/dbraw/zinc/05/62/77/1130056277.db2.gz WMXWJJDUJHAVTJ-UHFFFAOYSA-N -1 1 273.719 3.516 20 0 CHADMM CCOC(=O)Cc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800301 1130056289 /nfs/dbraw/zinc/05/62/89/1130056289.db2.gz MLCPECQZSUBZBR-UHFFFAOYSA-N -1 1 290.746 3.818 20 0 CHADMM CN1CCOc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242802773 1130056906 /nfs/dbraw/zinc/05/69/06/1130056906.db2.gz IBCCVNZVTPXYOI-UHFFFAOYSA-N -1 1 275.735 3.541 20 0 CHADMM Cc1c2[nH]cnc2ccc1-c1cccc(C=CC(=O)[O-])c1 ZINC001240549893 1130352743 /nfs/dbraw/zinc/35/27/43/1130352743.db2.gz ZVNDVHJHRGGDDA-VMPITWQZSA-N -1 1 278.311 3.636 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncnc2[nH]c3ccccc3c21 ZINC001240694014 1130421417 /nfs/dbraw/zinc/42/14/17/1130421417.db2.gz MIGQXUZHXKYRFD-UHFFFAOYSA-N -1 1 279.274 3.623 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccccc2)nn1 ZINC001240693352 1130421513 /nfs/dbraw/zinc/42/15/13/1130421513.db2.gz ODKCKGGKLKDHQO-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc2[nH]c(C3CC3)cc2n1 ZINC001240695373 1130422005 /nfs/dbraw/zinc/42/20/05/1130422005.db2.gz ILMVLOOHEALVIU-UHFFFAOYSA-N -1 1 268.291 3.952 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2cccs2)ncn1 ZINC001240695405 1130422448 /nfs/dbraw/zinc/42/24/48/1130422448.db2.gz KIORTDQGYGXIOS-UHFFFAOYSA-N -1 1 272.304 3.717 20 0 CHADMM COc1cc2nc(-c3cc(F)ccc3[O-])ccc2c(OC)c1 ZINC001240696359 1130422563 /nfs/dbraw/zinc/42/25/63/1130422563.db2.gz NPVIGLIIQIJAPZ-UHFFFAOYSA-N -1 1 299.301 3.764 20 0 CHADMM COc1cccc(-c2ccc(-c3cc(F)ccc3[O-])nn2)c1 ZINC001240695488 1130422685 /nfs/dbraw/zinc/42/26/85/1130422685.db2.gz LGBGJIQHTLKFIH-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM Cc1cc(C)c(CC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000678630863 1130442855 /nfs/dbraw/zinc/44/28/55/1130442855.db2.gz OPRGWYLUOVSZRL-UHFFFAOYSA-N -1 1 287.334 3.638 20 0 CHADMM [O-]c1ccc(-c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC001240783244 1130468434 /nfs/dbraw/zinc/46/84/34/1130468434.db2.gz PUAMJZZVUXDMKS-UHFFFAOYSA-N -1 1 284.265 3.794 20 0 CHADMM CC(C)(C)C(=O)Nc1cccnc1-c1ccc([O-])c(F)c1 ZINC001240785653 1130470550 /nfs/dbraw/zinc/47/05/50/1130470550.db2.gz LELMDGAWUNNAGD-UHFFFAOYSA-N -1 1 288.322 3.578 20 0 CHADMM CC(C)[S@@](=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503183 1130516759 /nfs/dbraw/zinc/51/67/59/1130516759.db2.gz CTNXNGXMLLQIDC-HXUWFJFHSA-N -1 1 296.338 3.853 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1ccc(OC(F)(F)F)nc1 ZINC001243506538 1130519000 /nfs/dbraw/zinc/51/90/00/1130519000.db2.gz YBKBTCKVOODFTB-UHFFFAOYSA-N -1 1 291.175 3.631 20 0 CHADMM CCC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000758312042 1130605782 /nfs/dbraw/zinc/60/57/82/1130605782.db2.gz BEJVKWRCFKKQEL-LLVKDONJSA-N -1 1 281.783 3.698 20 0 CHADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC/C=C/Cl)c1 ZINC000812399821 1130686592 /nfs/dbraw/zinc/68/65/92/1130686592.db2.gz BYDQGOXNLAFCHQ-OQHXTRMZSA-N -1 1 295.810 3.789 20 0 CHADMM C/C(=C\C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000780991175 1130698308 /nfs/dbraw/zinc/69/83/08/1130698308.db2.gz BMBWKVVSGUTLBE-VQHVLOKHSA-N -1 1 267.756 3.977 20 0 CHADMM [O-]c1ccc(Cl)cc1-c1ncnc2cc(F)c(F)cc21 ZINC001245048508 1130772642 /nfs/dbraw/zinc/77/26/42/1130772642.db2.gz CUTOTLSHODTMSN-UHFFFAOYSA-N -1 1 292.672 3.934 20 0 CHADMM Cc1c2nc[nH]c2ccc1-c1c(F)cc(F)c([O-])c1F ZINC001235999054 1130826441 /nfs/dbraw/zinc/82/64/41/1130826441.db2.gz WDRPNVXPDCMORA-UHFFFAOYSA-N -1 1 278.233 3.661 20 0 CHADMM Cc1c(Cl)c(-c2ccc3[nH]cnc3c2)ccc1C(=O)[O-] ZINC001236121429 1130868760 /nfs/dbraw/zinc/86/87/60/1130868760.db2.gz SVMLEGOVPACAKP-UHFFFAOYSA-N -1 1 286.718 3.890 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3c(F)cccc32)c1[O-] ZINC001236390141 1130925421 /nfs/dbraw/zinc/92/54/21/1130925421.db2.gz CXFKDIMMXBXANB-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3sccc32)c1[O-] ZINC001236390799 1130925631 /nfs/dbraw/zinc/92/56/31/1130925631.db2.gz JYVZPOCVPSWCFW-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3ccco3)ncn2)c1[O-] ZINC001236391580 1130925679 /nfs/dbraw/zinc/92/56/79/1130925679.db2.gz LGDVVKUORFYWKL-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1ccc(F)c(-c2cc(C3CCC3)ncn2)c1[O-] ZINC001236391727 1130926991 /nfs/dbraw/zinc/92/69/91/1130926991.db2.gz OFOYWWJLJNAYCP-UHFFFAOYSA-N -1 1 258.296 3.564 20 0 CHADMM CCC=CNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001170774138 1130951423 /nfs/dbraw/zinc/95/14/23/1130951423.db2.gz UTAYRPAZHNHSTH-LLGDCAAFSA-N -1 1 286.297 3.762 20 0 CHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)cc2F)c1 ZINC001135675041 1131124551 /nfs/dbraw/zinc/12/45/51/1131124551.db2.gz YMYNHINYDKOUII-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM FC(F)n1cc([N-]c2nc(C3CCCCC3)ns2)cn1 ZINC000817121838 1131144147 /nfs/dbraw/zinc/14/41/47/1131144147.db2.gz XTVGGIJHFLKWRG-UHFFFAOYSA-N -1 1 299.350 3.921 20 0 CHADMM CC1(C)CCCN1Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984039 1131157707 /nfs/dbraw/zinc/15/77/07/1131157707.db2.gz LDEKYAZAVPXQGP-UHFFFAOYSA-N -1 1 257.736 3.559 20 0 CHADMM CC(C)(C)O[N-]C(=O)C1(Cc2ccccc2Cl)CC1 ZINC001116712294 1131161357 /nfs/dbraw/zinc/16/13/57/1131161357.db2.gz XXOSKMUFVIWVCF-UHFFFAOYSA-N -1 1 281.783 3.509 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc([O-])c1F ZINC001136019956 1131183852 /nfs/dbraw/zinc/18/38/52/1131183852.db2.gz SIAMQIAGRHKEQG-YNEHKIRRSA-N -1 1 291.366 3.620 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc([O-])c1F ZINC001136019952 1131184015 /nfs/dbraw/zinc/18/40/15/1131184015.db2.gz SIAMQIAGRHKEQG-JHJVBQTASA-N -1 1 291.366 3.620 20 0 CHADMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2)s1 ZINC001118234242 1131216189 /nfs/dbraw/zinc/21/61/89/1131216189.db2.gz DPSMPEOOIBUTHU-AWEZNQCLSA-N -1 1 289.400 3.710 20 0 CHADMM CCC(F)(F)C(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000829843804 1131435655 /nfs/dbraw/zinc/43/56/55/1131435655.db2.gz AAMPWSHTLSGYTA-SECBINFHSA-N -1 1 287.272 3.659 20 0 CHADMM Cc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1C ZINC001202827308 1131503501 /nfs/dbraw/zinc/50/35/01/1131503501.db2.gz VEKZJFWKLQPKDU-UHFFFAOYSA-N -1 1 274.295 3.792 20 0 CHADMM CCN(Cc1cccc(F)c1)Cc1cc(F)c([O-])cc1F ZINC001144660199 1131679441 /nfs/dbraw/zinc/67/94/41/1131679441.db2.gz WGOTWOWXYYBWKB-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM C/C(=C/CN([C@@H](C)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000846239605 1131702965 /nfs/dbraw/zinc/70/29/65/1131702965.db2.gz SNACIFRRQJZTGF-MMRAYRKESA-N -1 1 293.794 3.896 20 0 CHADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1cccs1 ZINC001227881241 1131758208 /nfs/dbraw/zinc/75/82/08/1131758208.db2.gz KSFULPQJQVIYPG-MRVPVSSYSA-N -1 1 289.385 3.889 20 0 CHADMM C[C@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227885064 1131759033 /nfs/dbraw/zinc/75/90/33/1131759033.db2.gz KTMLIYODGBROIT-AOOOYVTPSA-N -1 1 275.377 3.645 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1=CCCCC1 ZINC001146722495 1131796190 /nfs/dbraw/zinc/79/61/90/1131796190.db2.gz BJTZQSYCJYVXQY-UHFFFAOYSA-N -1 1 285.265 3.850 20 0 CHADMM O=C(N[C@@H](CC1CC1)c1ccccc1)c1c([O-])cccc1F ZINC001147032389 1131807579 /nfs/dbraw/zinc/80/75/79/1131807579.db2.gz CUVPXMROSSSVGQ-HNNXBMFYSA-N -1 1 299.345 3.803 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1OC1CCCC1 ZINC001228186330 1131825950 /nfs/dbraw/zinc/82/59/50/1131825950.db2.gz PZWKOPVBPIIHIE-UHFFFAOYSA-N -1 1 282.339 3.945 20 0 CHADMM CC[C@@](C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC001147809493 1131834964 /nfs/dbraw/zinc/83/49/64/1131834964.db2.gz INSOMBPGFPNDED-GOSISDBHSA-N -1 1 299.370 3.560 20 0 CHADMM [O-]c1c(F)cc(CN2Cc3ccc(Cl)cc3C2)cc1F ZINC001140990814 1131979233 /nfs/dbraw/zinc/97/92/33/1131979233.db2.gz RWUCHXIEJJJQEZ-UHFFFAOYSA-N -1 1 295.716 3.840 20 0 CHADMM CCC(=O)c1ccc([O-])cc1OC1Cc2ccccc2C1 ZINC001229474130 1132072858 /nfs/dbraw/zinc/07/28/58/1132072858.db2.gz AQVWDUUMLSLMEE-UHFFFAOYSA-N -1 1 282.339 3.531 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001229477502 1132073283 /nfs/dbraw/zinc/07/32/83/1132073283.db2.gz NUTFAFRJEDXKJH-GXTWGEPZSA-N -1 1 266.312 3.644 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1ncccc1F ZINC001229479043 1132073504 /nfs/dbraw/zinc/07/35/04/1132073504.db2.gz XZYMDNRGKVKKNO-SNVBAGLBSA-N -1 1 289.306 3.659 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(C(F)F)cc1F ZINC001171638271 1132081992 /nfs/dbraw/zinc/08/19/92/1132081992.db2.gz UQOZZMYINMOUHE-UHFFFAOYSA-N -1 1 299.223 3.860 20 0 CHADMM CCCC[C@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230281906 1132168823 /nfs/dbraw/zinc/16/88/23/1132168823.db2.gz KRSLOGAUTNFUHB-AWEZNQCLSA-N -1 1 288.347 3.507 20 0 CHADMM C[C@H](Oc1nc2cc(Cl)nc(Cl)c2[nH]1)C1=CC=C[CH]1 ZINC001231047801 1132248478 /nfs/dbraw/zinc/24/84/78/1132248478.db2.gz CRRAATKFRWLMGE-ZETCQYMHSA-N -1 1 295.149 3.732 20 0 CHADMM Clc1cc2[n-]c(O[C@@H]3C=CCCC3)nc2c(Cl)n1 ZINC001231045578 1132248614 /nfs/dbraw/zinc/24/86/14/1132248614.db2.gz XGMZHUMCVIXGOK-SSDOTTSWSA-N -1 1 284.146 3.752 20 0 CHADMM Clc1cc2nc(O[C@@H]3C=CCCC3)[n-]c2c(Cl)n1 ZINC001231045578 1132248621 /nfs/dbraw/zinc/24/86/21/1132248621.db2.gz XGMZHUMCVIXGOK-SSDOTTSWSA-N -1 1 284.146 3.752 20 0 CHADMM O=C(NCC1(C2CCC2)CCC1)c1ccc(Cl)cc1[O-] ZINC001141873141 1132260206 /nfs/dbraw/zinc/26/02/06/1132260206.db2.gz NAMGMFAIBUCRJI-UHFFFAOYSA-N -1 1 293.794 3.746 20 0 CHADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])C1CCCC1 ZINC001231204734 1132271285 /nfs/dbraw/zinc/27/12/85/1132271285.db2.gz SUCINFQFDQYXOK-GFCCVEGCSA-N -1 1 284.359 3.807 20 0 CHADMM C[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)CC1(F)F ZINC001231733140 1132351679 /nfs/dbraw/zinc/35/16/79/1132351679.db2.gz OENVRDOVGVDLCS-SECBINFHSA-N -1 1 275.726 3.523 20 0 CHADMM C[C@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C[C@@H](C)C1 ZINC001142542309 1132405957 /nfs/dbraw/zinc/40/59/57/1132405957.db2.gz POQCDEOTVGASLG-MYJAWHEDSA-N -1 1 283.318 3.681 20 0 CHADMM CCC(CC)[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542238 1132406417 /nfs/dbraw/zinc/40/64/17/1132406417.db2.gz NIYPRBNTNUBUJZ-QMMMGPOBSA-N -1 1 271.307 3.681 20 0 CHADMM CSc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001173814468 1132519031 /nfs/dbraw/zinc/51/90/31/1132519031.db2.gz POODBFOGPGWVLG-UHFFFAOYSA-N -1 1 299.351 3.964 20 0 CHADMM CCC(CC)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC001143293675 1132532389 /nfs/dbraw/zinc/53/23/89/1132532389.db2.gz LIZHRKWDDJOHCI-UHFFFAOYSA-N -1 1 281.783 3.839 20 0 CHADMM CCN(Cc1cccc(F)c1)Cc1ccc(F)c([O-])c1F ZINC001232936888 1132544317 /nfs/dbraw/zinc/54/43/17/1132544317.db2.gz HQFJBFHLEIQODU-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM [O-]c1c(F)ccc(CN2CC[C@H]2c2ccccc2)c1F ZINC001232937545 1132545619 /nfs/dbraw/zinc/54/56/19/1132545619.db2.gz PUPJMDFFLIDXHP-AWEZNQCLSA-N -1 1 275.298 3.617 20 0 CHADMM Cc1ccccc1CN(C)Cc1ccc(F)c([O-])c1F ZINC001232936603 1132545927 /nfs/dbraw/zinc/54/59/27/1132545927.db2.gz VGSZBPGUAYDCQP-UHFFFAOYSA-N -1 1 277.314 3.611 20 0 CHADMM CN(Cc1cc([O-])c(F)c(F)c1)Cc1ccccc1Cl ZINC001232972404 1132551670 /nfs/dbraw/zinc/55/16/70/1132551670.db2.gz YYTNEYQJCWONAK-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM CC[N@H+](Cc1ccccc1)Cc1cc(O)c(F)c(F)c1 ZINC001232969264 1132553300 /nfs/dbraw/zinc/55/33/00/1132553300.db2.gz MRRRKSOFVSQBRC-UHFFFAOYSA-N -1 1 277.314 3.693 20 0 CHADMM CC[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001151771772 1132572654 /nfs/dbraw/zinc/57/26/54/1132572654.db2.gz KTMTYUIMXORDDP-GFCCVEGCSA-N -1 1 273.307 3.664 20 0 CHADMM O=C(CCn1ccc2ccccc21)Nc1cccc(F)c1[O-] ZINC001151771294 1132573201 /nfs/dbraw/zinc/57/32/01/1132573201.db2.gz GEDIIRKVPJGKSB-UHFFFAOYSA-N -1 1 298.317 3.515 20 0 CHADMM CC(=O)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001173898190 1132602348 /nfs/dbraw/zinc/60/23/48/1132602348.db2.gz GQFKCQUOWRXXSP-UHFFFAOYSA-N -1 1 284.340 3.948 20 0 CHADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1cccs1 ZINC001154572178 1132618453 /nfs/dbraw/zinc/61/84/53/1132618453.db2.gz XETGHPWNMGQESX-SECBINFHSA-N -1 1 295.791 3.527 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@H](C)C1 ZINC001233649948 1132657474 /nfs/dbraw/zinc/65/74/74/1132657474.db2.gz GGYNHEWQNKFWME-WCQYABFASA-N -1 1 262.349 3.942 20 0 CHADMM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc([O-])cn3)c21 ZINC001156312114 1132689504 /nfs/dbraw/zinc/68/95/04/1132689504.db2.gz COVQYOORIQFOMJ-LLVKDONJSA-N -1 1 296.370 3.824 20 0 CHADMM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC001158375511 1132772745 /nfs/dbraw/zinc/77/27/45/1132772745.db2.gz AEULZMLTCMXLJX-QWRGUYRKSA-N -1 1 281.783 3.602 20 0 CHADMM CCc1c(Cl)cc(Nc2cn[nH]c2)c([O-])c1Cl ZINC001174297812 1132777920 /nfs/dbraw/zinc/77/79/20/1132777920.db2.gz QHLVJUYCLRQAAZ-UHFFFAOYSA-N -1 1 272.135 3.728 20 0 CHADMM [O-]c1cc(Nc2ccc(C(F)(F)F)nc2)cc(F)c1F ZINC001174313285 1132792000 /nfs/dbraw/zinc/79/20/00/1132792000.db2.gz XBRPUVPXFYTTLZ-UHFFFAOYSA-N -1 1 290.191 3.828 20 0 CHADMM CCc1c(Cl)cc(Nc2cnn(C)c2)c([O-])c1Cl ZINC001174331180 1132795182 /nfs/dbraw/zinc/79/51/82/1132795182.db2.gz CZGYZFBRLGXCIF-UHFFFAOYSA-N -1 1 286.162 3.739 20 0 CHADMM Cn1cnc2ccc(Nc3cc([O-])c(Cl)cc3F)cc21 ZINC001174347808 1132805889 /nfs/dbraw/zinc/80/58/89/1132805889.db2.gz VUZBCOMFRODVHT-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM [S-]c1cccc(Nc2cc([C@@H]3CCCCN3)no2)c1 ZINC001159312676 1132829550 /nfs/dbraw/zinc/82/95/50/1132829550.db2.gz FKUUIJYBOBECBE-LBPRGKRZSA-N -1 1 275.377 3.522 20 0 CHADMM COc1c(F)ccc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001174663625 1132954687 /nfs/dbraw/zinc/95/46/87/1132954687.db2.gz CODFOQIPQCKPLW-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Cc1c(F)cccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174666521 1132955716 /nfs/dbraw/zinc/95/57/16/1132955716.db2.gz AUPKVMSOPLFVGY-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162296659 1133067046 /nfs/dbraw/zinc/06/70/46/1133067046.db2.gz ZDDFHPFBVURFMO-VFZGTOFNSA-N -1 1 283.318 3.825 20 0 CHADMM CCCc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])s1 ZINC001162296029 1133067686 /nfs/dbraw/zinc/06/76/86/1133067686.db2.gz RCYYDQIYHQPDHB-UHFFFAOYSA-N -1 1 297.326 3.937 20 0 CHADMM CC(C)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001166902875 1133294352 /nfs/dbraw/zinc/29/43/52/1133294352.db2.gz BDHJNKOSWXSEHU-NSHDSACASA-N -1 1 274.389 3.986 20 0 CHADMM Nc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(F)n1 ZINC001203621179 1133344964 /nfs/dbraw/zinc/34/49/64/1133344964.db2.gz MOVIDQDQHGQDIG-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM Cc1cc(-c2ccc(F)c(C(=O)[O-])c2F)cc2nc[nH]c21 ZINC001205088098 1133526185 /nfs/dbraw/zinc/52/61/85/1133526185.db2.gz HIRYCJVTTKDJLI-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM [O-]c1ccc(-c2nccc(OCc3ccccc3)n2)c(F)c1 ZINC001206029560 1133643955 /nfs/dbraw/zinc/64/39/55/1133643955.db2.gz CPVHKKSBJWYEDM-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM Cc1cccc([C@@H](C)NC(=O)c2ccc([O-])cc2F)c1C ZINC000163689705 1133654999 /nfs/dbraw/zinc/65/49/99/1133654999.db2.gz YLCFBGDBOXRMSL-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM O=c1[nH]cccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001206470869 1133707036 /nfs/dbraw/zinc/70/70/36/1133707036.db2.gz OOSRQECQTNQWPR-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM CC(C)(C)Oc1ncccc1Nc1ccc(F)c(F)c1[O-] ZINC001206507828 1133713218 /nfs/dbraw/zinc/71/32/18/1133713218.db2.gz ZYWBJXPVJGYCEY-UHFFFAOYSA-N -1 1 294.301 3.986 20 0 CHADMM Cc1cc2nc(-c3cc(F)c([O-])cc3F)ccc2[nH]1 ZINC001206761123 1133743065 /nfs/dbraw/zinc/74/30/65/1133743065.db2.gz JHJULSSWZFWWQC-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(C)c1 ZINC001206775822 1133746745 /nfs/dbraw/zinc/74/67/45/1133746745.db2.gz MUHQJXFFLNOWFX-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM [O-]c1ccc(CNc2cnn(C3CCCC3)c2)c(F)c1F ZINC001207604961 1133829204 /nfs/dbraw/zinc/82/92/04/1133829204.db2.gz TWGGUBCQIATOKL-UHFFFAOYSA-N -1 1 293.317 3.594 20 0 CHADMM [O-]c1cc(Nc2ccc3c(c2)NCCO3)c(F)cc1Cl ZINC001209796279 1134065896 /nfs/dbraw/zinc/06/58/96/1134065896.db2.gz KCDJSDJEYVBNKP-UHFFFAOYSA-N -1 1 294.713 3.733 20 0 CHADMM C=Cc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001209924087 1134102495 /nfs/dbraw/zinc/10/24/95/1134102495.db2.gz UIRASAHSQRTLTN-UHFFFAOYSA-N -1 1 277.327 3.965 20 0 CHADMM CC(C)c1nnc([N-]c2cc(C(F)(F)F)ccc2O)o1 ZINC001209978909 1134115404 /nfs/dbraw/zinc/11/54/04/1134115404.db2.gz MEDFCUGEGXKYLH-UHFFFAOYSA-N -1 1 287.241 3.661 20 0 CHADMM Cc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1F ZINC001210039431 1134130132 /nfs/dbraw/zinc/13/01/32/1134130132.db2.gz RUWRXSAAEXZXNX-UHFFFAOYSA-N -1 1 283.306 3.769 20 0 CHADMM COc1ccc(C(C)=O)cc1Nc1ccc(F)c(F)c1[O-] ZINC001210082245 1134142743 /nfs/dbraw/zinc/14/27/43/1134142743.db2.gz QUZUJFHGCVFMHW-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM O=C1CCc2c1cccc2Nc1cccc(Cl)c1[O-] ZINC001210222044 1134169874 /nfs/dbraw/zinc/16/98/74/1134169874.db2.gz KXQVPIZUAVWTGK-UHFFFAOYSA-N -1 1 273.719 3.918 20 0 CHADMM Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1CO ZINC001210249821 1134178825 /nfs/dbraw/zinc/17/88/25/1134178825.db2.gz YZXJJTUNNUCXFY-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM CC(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001210273836 1134180533 /nfs/dbraw/zinc/18/05/33/1134180533.db2.gz HEZXARHRIUQTIO-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM COc1cc(F)c(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210549053 1134245617 /nfs/dbraw/zinc/24/56/17/1134245617.db2.gz VTIMXYMZRYXZGM-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCc1cc(OC)ccc1Nc1ccnc(Cl)c1[O-] ZINC001210713158 1134278612 /nfs/dbraw/zinc/27/86/12/1134278612.db2.gz MYLDDZTYJAHCCS-UHFFFAOYSA-N -1 1 278.739 3.755 20 0 CHADMM [O-]c1cc(F)c(Nc2ccccc2OC2CC2)cc1F ZINC001210842157 1134310722 /nfs/dbraw/zinc/31/07/22/1134310722.db2.gz JZFBQQVCKMXBAJ-UHFFFAOYSA-N -1 1 277.270 3.955 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc(O)c1Cl ZINC001210860560 1134315468 /nfs/dbraw/zinc/31/54/68/1134315468.db2.gz YCJVBCWKWWVHGJ-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(OC2CC2)c1 ZINC001210860829 1134315509 /nfs/dbraw/zinc/31/55/09/1134315509.db2.gz CNDYDOSUBHLACR-UHFFFAOYSA-N -1 1 276.723 3.725 20 0 CHADMM Cc1cc2[nH]cnc2cc1-c1cc(F)c(O)cc1F ZINC001211338310 1134410554 /nfs/dbraw/zinc/41/05/54/1134410554.db2.gz CDZHYAHDQIHZAB-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1cc2nc[nH]c2cc1-c1cc(F)c([O-])cc1F ZINC001211338310 1134410560 /nfs/dbraw/zinc/41/05/60/1134410560.db2.gz CDZHYAHDQIHZAB-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1cc2[nH]cnc2cc1-c1cc(F)c([O-])cc1F ZINC001211338310 1134410564 /nfs/dbraw/zinc/41/05/64/1134410564.db2.gz CDZHYAHDQIHZAB-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM COc1cnc2cc(-c3cc(F)c([O-])cc3F)ccc2c1 ZINC001211359780 1134412572 /nfs/dbraw/zinc/41/25/72/1134412572.db2.gz LSUQYBXPQCIZNW-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM CCCOc1ncc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211359081 1134412708 /nfs/dbraw/zinc/41/27/08/1134412708.db2.gz ALGMPMOBUUFCBC-UHFFFAOYSA-N -1 1 279.286 3.830 20 0 CHADMM Cc1nc2cc(Nc3ccccc3[S-])ccc2[nH]1 ZINC001213073098 1134420781 /nfs/dbraw/zinc/42/07/81/1134420781.db2.gz DNYHKRAEJXUYBV-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Cc1cc(N)ccc1Nc1cc([O-])c(Cl)cc1F ZINC001214117011 1134512164 /nfs/dbraw/zinc/51/21/64/1134512164.db2.gz JIROLUWGSKGPNM-UHFFFAOYSA-N -1 1 266.703 3.819 20 0 CHADMM COCOc1cccc(F)c1Nc1cc(F)c([O-])cc1F ZINC001214443864 1134538169 /nfs/dbraw/zinc/53/81/69/1134538169.db2.gz FWDDAIVAAGKGSZ-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM COCOc1cccc(F)c1Nc1c([O-])cc(F)cc1F ZINC001214440452 1134538756 /nfs/dbraw/zinc/53/87/56/1134538756.db2.gz UUPPVEFJIHBRJV-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(O)c(F)c2)cc1Cl ZINC001214488608 1134543139 /nfs/dbraw/zinc/54/31/39/1134543139.db2.gz IBVBKOUZSKVEQG-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(F)nc(F)c2)cc1Cl ZINC001214482938 1134542332 /nfs/dbraw/zinc/54/23/32/1134542332.db2.gz VSSSXUYAWORRJH-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(Nc2nsc3ncccc23)cc1Cl ZINC001214482545 1134542354 /nfs/dbraw/zinc/54/23/54/1134542354.db2.gz APVXLKBBNVSFOX-UHFFFAOYSA-N -1 1 295.726 3.933 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3nccn32)cc1Cl ZINC001214480226 1134542733 /nfs/dbraw/zinc/54/27/33/1134542733.db2.gz PSLIIJPJUPCQDD-UHFFFAOYSA-N -1 1 277.686 3.576 20 0 CHADMM COc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486625 1134543050 /nfs/dbraw/zinc/54/30/50/1134543050.db2.gz PRZZSPZVWFBEDJ-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM Cc1cnn(CC2CC2)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484123 1134544130 /nfs/dbraw/zinc/54/41/30/1134544130.db2.gz AIUDOQFNIZWONJ-UHFFFAOYSA-N -1 1 295.745 3.843 20 0 CHADMM Nc1ccc2c(c1)N(c1cc(F)c([O-])c(Cl)c1)CCC2 ZINC001214492197 1134545060 /nfs/dbraw/zinc/54/50/60/1134545060.db2.gz SOBRAHWNHPRVIJ-UHFFFAOYSA-N -1 1 292.741 3.851 20 0 CHADMM COc1cccc([O-])c1-c1nc(-c2ccc(C)cc2C)no1 ZINC001215322277 1134617691 /nfs/dbraw/zinc/61/76/91/1134617691.db2.gz FGQDYKHAFAMCNA-UHFFFAOYSA-N -1 1 296.326 3.735 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3c2CCC3)cc1F ZINC001215572073 1134644639 /nfs/dbraw/zinc/64/46/39/1134644639.db2.gz WEFNTJRMCMDDFY-UHFFFAOYSA-N -1 1 261.271 3.903 20 0 CHADMM COC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1C ZINC001215571576 1134644864 /nfs/dbraw/zinc/64/48/64/1134644864.db2.gz HSVHKRCCGRPFBA-UHFFFAOYSA-N -1 1 293.269 3.509 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc3c(c2)[C@H](O)CCC3)cc1F ZINC001215575971 1134645767 /nfs/dbraw/zinc/64/57/67/1134645767.db2.gz HZICNLJFMZEPGQ-OAHLLOKOSA-N -1 1 291.297 3.784 20 0 CHADMM COc1ccc(C(C)=O)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215576290 1134645783 /nfs/dbraw/zinc/64/57/83/1134645783.db2.gz SPRTXYNSNQSZMO-UHFFFAOYSA-N -1 1 293.269 3.625 20 0 CHADMM CCc1ccc(N)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215577289 1134645939 /nfs/dbraw/zinc/64/59/39/1134645939.db2.gz YQQXVVHIPLQZLV-UHFFFAOYSA-N -1 1 264.275 3.559 20 0 CHADMM CCc1ccc(Nc2cc(F)c([O-])cc2F)c(O)c1 ZINC001215574469 1134646092 /nfs/dbraw/zinc/64/60/92/1134646092.db2.gz UYQWSBWAFYPUHN-UHFFFAOYSA-N -1 1 265.259 3.682 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(O)ccc2Cl)cc1F ZINC001215574275 1134646245 /nfs/dbraw/zinc/64/62/45/1134646245.db2.gz OORRFJWDOFEJLO-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(CO)cc2Cl)cc1F ZINC001215576576 1134646295 /nfs/dbraw/zinc/64/62/95/1134646295.db2.gz CXQJIEZCMOUSGM-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM COc1cc(SC)c(Nc2c([O-])cc(F)cc2F)cn1 ZINC001215812720 1134693603 /nfs/dbraw/zinc/69/36/03/1134693603.db2.gz UGSOMNZSVIAZQB-UHFFFAOYSA-N -1 1 298.314 3.540 20 0 CHADMM COc1cc(SC)c(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001215813682 1134694525 /nfs/dbraw/zinc/69/45/25/1134694525.db2.gz ASLAEFSCBVROPH-UHFFFAOYSA-N -1 1 298.314 3.540 20 0 CHADMM Cc1cc(C)cc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC001215826116 1134695488 /nfs/dbraw/zinc/69/54/88/1134695488.db2.gz GOXKPODAQQEQFG-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1C ZINC001215826901 1134695962 /nfs/dbraw/zinc/69/59/62/1134695962.db2.gz XAVPMCVXORLZGN-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM Cc1nc(OC(C)C)ccc1Nc1c([O-])cc(F)cc1F ZINC001215920400 1134720809 /nfs/dbraw/zinc/72/08/09/1134720809.db2.gz VBBIHTGUFHABKS-UHFFFAOYSA-N -1 1 294.301 3.905 20 0 CHADMM CSc1cc(F)c([N-]c2nonc2C2CC2)cc1F ZINC001215967161 1134734981 /nfs/dbraw/zinc/73/49/81/1134734981.db2.gz AQEMNULBEWWRHI-UHFFFAOYSA-N -1 1 283.303 3.691 20 0 CHADMM Cc1nonc1[N-]c1ccc(C(F)(F)F)cc1Cl ZINC001215970213 1134736461 /nfs/dbraw/zinc/73/64/61/1134736461.db2.gz HAESAQSLGNZFDE-UHFFFAOYSA-N -1 1 277.633 3.794 20 0 CHADMM COCc1cc(OC)ccc1Nc1c([O-])cc(F)cc1F ZINC001215978596 1134739242 /nfs/dbraw/zinc/73/92/42/1134739242.db2.gz OXDZYIDMTRKTEL-UHFFFAOYSA-N -1 1 295.285 3.569 20 0 CHADMM Cc1cc(Cl)ncc1Nc1c([O-])cc(F)cc1F ZINC001216280486 1134834788 /nfs/dbraw/zinc/83/47/88/1134834788.db2.gz WMIKICIRDYKFJL-UHFFFAOYSA-N -1 1 270.666 3.771 20 0 CHADMM [O-]c1cc(F)cc(-c2nc(-c3ccc(F)cc3F)no2)c1 ZINC001216335969 1134858630 /nfs/dbraw/zinc/85/86/30/1134858630.db2.gz INCOAMZHNNWYIG-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001216497602 1134908248 /nfs/dbraw/zinc/90/82/48/1134908248.db2.gz RKWIJYZBWXGAEQ-UHFFFAOYSA-N -1 1 280.686 3.526 20 0 CHADMM Nc1c(Cl)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001216529249 1134917319 /nfs/dbraw/zinc/91/73/19/1134917319.db2.gz NWNAWIDCYDILIE-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM O=C(NCC=C(Cl)Cl)c1ccc2ccccc2c1[O-] ZINC000407082594 1135094233 /nfs/dbraw/zinc/09/42/33/1135094233.db2.gz ASKFMWZNPAFDPK-UHFFFAOYSA-N -1 1 296.153 3.594 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)OC1CCCC1 ZINC000310099627 1135120571 /nfs/dbraw/zinc/12/05/71/1135120571.db2.gz KAZVSWAPOGXIET-UHFFFAOYSA-N -1 1 255.701 3.537 20 0 CHADMM CCCCCC(CCCCC)OCC[P@](=O)([O-])O ZINC001224602315 1135461512 /nfs/dbraw/zinc/46/15/12/1135461512.db2.gz QDRSJVPTHBZRMH-UHFFFAOYSA-N -1 1 280.345 3.710 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)CCC(C)C ZINC001225616002 1135595921 /nfs/dbraw/zinc/59/59/21/1135595921.db2.gz DNJLFZTYTLLLNO-NSHDSACASA-N -1 1 250.338 3.798 20 0 CHADMM CC(=O)c1ccc([O-])cc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001225616313 1135596132 /nfs/dbraw/zinc/59/61/32/1135596132.db2.gz IEXTVAUDRVSISM-QWRGUYRKSA-N -1 1 262.349 3.798 20 0 CHADMM CC[C@@H]1CCCC[C@H]1Oc1cc([O-])ccc1C(C)=O ZINC001225616588 1135597404 /nfs/dbraw/zinc/59/74/04/1135597404.db2.gz MPZUEWQQZKKZKY-IUODEOHRSA-N -1 1 262.349 3.942 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCc2ccc(C)cc21 ZINC001225616916 1135597576 /nfs/dbraw/zinc/59/75/76/1135597576.db2.gz QMLXOMPLNFJBML-KRWDZBQOSA-N -1 1 282.339 3.970 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCc2ccccc21 ZINC001225674390 1135606990 /nfs/dbraw/zinc/60/69/90/1135606990.db2.gz HRFRSSREVQDDDQ-MRXNPFEDSA-N -1 1 298.338 3.757 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccc(F)cc1 ZINC001225679396 1135607779 /nfs/dbraw/zinc/60/77/79/1135607779.db2.gz PJDYIXPIUVZUTA-SNVBAGLBSA-N -1 1 290.290 3.580 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)CCCC(C)C ZINC001225679769 1135608177 /nfs/dbraw/zinc/60/81/77/1135608177.db2.gz SECBKAZQGQSZEH-NSHDSACASA-N -1 1 280.364 3.894 20 0 CHADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccco1 ZINC001226184137 1135671050 /nfs/dbraw/zinc/67/10/50/1135671050.db2.gz AWEBZUIDQAASBN-LLVKDONJSA-N -1 1 282.299 3.582 20 0 CHADMM CCC[C@@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226243318 1135676564 /nfs/dbraw/zinc/67/65/64/1135676564.db2.gz AHMYKSBRHLULFV-GFCCVEGCSA-N -1 1 290.388 3.694 20 0 CHADMM Cc1cc(=O)oc2cc([O-])cc(OC3CCCCCC3)c12 ZINC001226486121 1135703401 /nfs/dbraw/zinc/70/34/01/1135703401.db2.gz PNXPHPNZDXSKLD-UHFFFAOYSA-N -1 1 288.343 3.909 20 0 CHADMM Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc(C)c1Cl ZINC001227110893 1135786753 /nfs/dbraw/zinc/78/67/53/1135786753.db2.gz GEBIVWBSTKIMFM-SNVBAGLBSA-N -1 1 278.739 3.592 20 0 CHADMM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)nc(C)c1Cl)CC2 ZINC001227116416 1135787330 /nfs/dbraw/zinc/78/73/30/1135787330.db2.gz LXFXADHXNRGJOD-LBPRGKRZSA-N -1 1 290.750 3.519 20 0 CHADMM Fc1cnc(=S)[n-]c1O[C@@H]1Cc2cccc3cccc1c23 ZINC001227382575 1135828438 /nfs/dbraw/zinc/82/84/38/1135828438.db2.gz FTEHUTDBJNKIAY-CYBMUJFWSA-N -1 1 298.342 3.734 20 0 CHADMM O=C(Nc1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000019839621 170888319 /nfs/dbraw/zinc/88/83/19/170888319.db2.gz JUJWQADEYRNMFZ-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000020298632 171138350 /nfs/dbraw/zinc/13/83/50/171138350.db2.gz BXXXXQMQCLCTHZ-UHFFFAOYSA-N -1 1 289.762 3.708 20 0 CHADMM Cc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000020546214 171243937 /nfs/dbraw/zinc/24/39/37/171243937.db2.gz BRRCAXOZZCHLLP-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM C[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC000021517303 171313788 /nfs/dbraw/zinc/31/37/88/171313788.db2.gz QAUFZNFILNVGSZ-BREBYQMCSA-N -1 1 281.783 3.600 20 0 CHADMM Cc1cccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000035174995 172028593 /nfs/dbraw/zinc/02/85/93/172028593.db2.gz CIJGANYBVJABJR-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c([nH]1)CCCC2 ZINC000517855151 260311751 /nfs/dbraw/zinc/31/17/51/260311751.db2.gz MDKCARXZNDBJCT-UHFFFAOYSA-N -1 1 290.750 3.505 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000093910250 265199430 /nfs/dbraw/zinc/19/94/30/265199430.db2.gz XGKVIFGZLJFCHR-OAHLLOKOSA-N -1 1 285.318 3.509 20 0 CHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000094017532 265208837 /nfs/dbraw/zinc/20/88/37/265208837.db2.gz BSELMBYNXYDAQA-NSHDSACASA-N -1 1 285.318 3.685 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000094017531 265208841 /nfs/dbraw/zinc/20/88/41/265208841.db2.gz BSELMBYNXYDAQA-LLVKDONJSA-N -1 1 285.318 3.685 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000563278111 328006569 /nfs/dbraw/zinc/00/65/69/328006569.db2.gz ORMYXEPLJCVKRK-JTQLQIEISA-N -1 1 293.363 3.778 20 0 CHADMM C[C@H](c1ccc(F)cc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000563278112 328006733 /nfs/dbraw/zinc/00/67/33/328006733.db2.gz ORMYXEPLJCVKRK-SNVBAGLBSA-N -1 1 293.363 3.778 20 0 CHADMM O=C(c1ccc([O-])cc1F)N(CC1CC1)C1CCCCC1 ZINC000436878763 328193473 /nfs/dbraw/zinc/19/34/73/328193473.db2.gz DFSDZMGQQBCXSE-UHFFFAOYSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000048655408 328317633 /nfs/dbraw/zinc/31/76/33/328317633.db2.gz JIKJECXCIXUIEP-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000532012596 328389370 /nfs/dbraw/zinc/38/93/70/328389370.db2.gz VEOAGZUYPGZUGC-GHMZBOCLSA-N -1 1 265.328 3.686 20 0 CHADMM CSc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000112334076 328398523 /nfs/dbraw/zinc/39/85/23/328398523.db2.gz PVQUTVMSPSKOOS-UHFFFAOYSA-N -1 1 293.413 3.518 20 0 CHADMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[O-] ZINC000091480382 327171137 /nfs/dbraw/zinc/17/11/37/327171137.db2.gz XRFPUOVVSRDXCV-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CC34CCCC4)n2)cc1F ZINC000562476904 327484333 /nfs/dbraw/zinc/48/43/33/327484333.db2.gz JSRKVBFLVDTTGS-SNVBAGLBSA-N -1 1 274.295 3.629 20 0 CHADMM O=C(NCc1cccs1)c1ccc2ccccc2c1[O-] ZINC000037467043 328782898 /nfs/dbraw/zinc/78/28/98/328782898.db2.gz CXIOZFLNNQINPV-UHFFFAOYSA-N -1 1 283.352 3.537 20 0 CHADMM FC(F)(F)c1csc(=N[C@@H]2CCCC(F)(F)C2)[n-]1 ZINC000532883770 328825956 /nfs/dbraw/zinc/82/59/56/328825956.db2.gz CSNQNKFKVQFJQR-ZCFIWIBFSA-N -1 1 286.269 3.574 20 0 CHADMM CC(C)SCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000582943802 329292163 /nfs/dbraw/zinc/29/21/63/329292163.db2.gz HYWPUOUDEYTZPW-UHFFFAOYSA-N -1 1 284.768 3.737 20 0 CHADMM Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000186260297 329340890 /nfs/dbraw/zinc/34/08/90/329340890.db2.gz YKIAQVJMZDWBQO-QGZVFWFLSA-N -1 1 288.366 3.597 20 0 CHADMM C[C@H]1CC[C@@H](c2noc(-c3ccc4ccccc4c3[O-])n2)O1 ZINC000398345162 329442526 /nfs/dbraw/zinc/44/25/26/329442526.db2.gz MJZWQYHVGGVWKE-HZMBPMFUSA-N -1 1 296.326 3.835 20 0 CHADMM CCCC[C@@H](C)N(CCCC)C(=O)c1ncc(C)cc1[O-] ZINC000572034350 329939118 /nfs/dbraw/zinc/93/91/18/329939118.db2.gz TXBMSYFJOFTLKY-CQSZACIVSA-N -1 1 292.423 3.917 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](C2CCCC2)C1 ZINC000421659352 329967177 /nfs/dbraw/zinc/96/71/77/329967177.db2.gz YPLVTXYRIKEGPV-LBPRGKRZSA-N -1 1 293.794 3.698 20 0 CHADMM CCCC[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000262692396 330027663 /nfs/dbraw/zinc/02/76/63/330027663.db2.gz GOELOWMWJAMHCI-HNNXBMFYSA-N -1 1 289.375 3.783 20 0 CHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000399581485 330242945 /nfs/dbraw/zinc/24/29/45/330242945.db2.gz RTHGBBVNLAIVAM-FRRDWIJNSA-N -1 1 283.371 3.662 20 0 CHADMM C[C@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000445444798 330356885 /nfs/dbraw/zinc/35/68/85/330356885.db2.gz GZLGZSRGFLKEPH-DTWKUNHWSA-N -1 1 278.739 3.999 20 0 CHADMM [O-]c1ccc(-c2noc(C3CCCC3)n2)c(Cl)c1 ZINC000445447280 330362433 /nfs/dbraw/zinc/36/24/33/330362433.db2.gz RRUCSHVWFAGEOG-UHFFFAOYSA-N -1 1 264.712 3.753 20 0 CHADMM CS[C@@H](C)CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448127 330367498 /nfs/dbraw/zinc/36/74/98/330367498.db2.gz 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ZINC000132996262 334012760 /nfs/dbraw/zinc/01/27/60/334012760.db2.gz HSJWXGDTUYFZNJ-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)C(C)C ZINC000553064326 334359487 /nfs/dbraw/zinc/35/94/87/334359487.db2.gz MDZNLXATOLTIDW-SNVBAGLBSA-N -1 1 269.772 3.552 20 0 CHADMM Cc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000580574714 335288019 /nfs/dbraw/zinc/28/80/19/335288019.db2.gz HYMRTVREKRYQQI-ZBFHGGJFSA-N -1 1 285.343 3.551 20 0 CHADMM Cc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000577147543 335308679 /nfs/dbraw/zinc/30/86/79/335308679.db2.gz JGWLXXLUEJXWCE-UHFFFAOYSA-N -1 1 282.315 3.721 20 0 CHADMM Cc1cccc(N(C)C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000578798551 335676204 /nfs/dbraw/zinc/67/62/04/335676204.db2.gz SAQFJNOCWOKVIL-UHFFFAOYSA-N -1 1 292.338 3.525 20 0 CHADMM Cc1oc([C@H](C)N(C)Cc2cccs2)cc1C(=O)[O-] ZINC000581255911 336032976 /nfs/dbraw/zinc/03/29/76/336032976.db2.gz JSESUDAHBWCPKY-VIFPVBQESA-N -1 1 279.361 3.541 20 0 CHADMM C[C@H]1CCCC[C@@H]1c1noc(-c2ccc([O-])cc2F)n1 ZINC000385051647 336136438 /nfs/dbraw/zinc/13/64/38/336136438.db2.gz SSFUUVUZFXYXEB-ONGXEEELSA-N -1 1 276.311 3.875 20 0 CHADMM COc1ccc(-c2nc([C@H]3CCCC[C@H]3C)no2)c([O-])c1 ZINC000385098606 336138233 /nfs/dbraw/zinc/13/82/33/336138233.db2.gz ZFGMJMDIUIUJTK-PWSUYJOCSA-N -1 1 288.347 3.745 20 0 CHADMM CCN(CCC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000385764536 336156169 /nfs/dbraw/zinc/15/61/69/336156169.db2.gz ADZWOYBWOFLLOT-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM CCCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000050906512 519900125 /nfs/dbraw/zinc/90/01/25/519900125.db2.gz APLLSGACAJWSFT-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM CC(C)(CC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000280768707 519194798 /nfs/dbraw/zinc/19/47/98/519194798.db2.gz IVDSKOYRSOMYHD-UHFFFAOYSA-N -1 1 295.688 3.963 20 0 CHADMM CC(C)CCC[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280720107 519645127 /nfs/dbraw/zinc/64/51/27/519645127.db2.gz HGMJDHBORVLEPK-SNVBAGLBSA-N -1 1 285.334 3.615 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C[C@@H]1C[C@H](C)[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000288938365 1127367507 /nfs/dbraw/zinc/36/75/07/1127367507.db2.gz ATAVXMGXJSERDW-SXMVTHIZSA-N -1 1 294.738 3.582 20 0 CHADMM C[C@@H](c1ccco1)N(C)Cc1cccc([O-])c1Cl ZINC000295278589 1127631411 /nfs/dbraw/zinc/63/14/11/1127631411.db2.gz IEKBCEATDOXIAF-JTQLQIEISA-N -1 1 265.740 3.832 20 0 CHADMM CCc1cnc(CN(C)Cc2cccc([O-])c2Cl)s1 ZINC000295348860 1127636221 /nfs/dbraw/zinc/63/62/21/1127636221.db2.gz NDSFAXMBHRMSJA-UHFFFAOYSA-N -1 1 296.823 3.697 20 0 CHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000605439500 1127736599 /nfs/dbraw/zinc/73/65/99/1127736599.db2.gz XDWRFYOGRKWMJG-LLVKDONJSA-N -1 1 273.307 3.664 20 0 CHADMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000062877657 1127780536 /nfs/dbraw/zinc/78/05/36/1127780536.db2.gz MGHBTJHRCWRDMI-HNNXBMFYSA-N -1 1 299.773 3.556 20 0 CHADMM O=C(OCc1ccccc1Cl)c1c([O-])cc(F)cc1F ZINC000063543497 1127840825 /nfs/dbraw/zinc/84/08/25/1127840825.db2.gz NGPHODBQBZZJNS-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM O=C(OCc1ccc(Cl)cc1)c1c([O-])cc(F)cc1F ZINC000063543403 1127841419 /nfs/dbraw/zinc/84/14/19/1127841419.db2.gz OWYXFIQJLHTSPS-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM Cc1ccc2oc(C(=O)Nc3c([O-])cccc3F)cc2c1 ZINC000608365806 1127862364 /nfs/dbraw/zinc/86/23/64/1127862364.db2.gz ROUNHKGNCGSFIR-UHFFFAOYSA-N -1 1 285.274 3.838 20 0 CHADMM Cc1cccc(C)c1COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000738605838 1127931425 /nfs/dbraw/zinc/93/14/25/1127931425.db2.gz JWVBOJJCZXCSOH-UHFFFAOYSA-N -1 1 296.326 3.644 20 0 CHADMM CC(=O)c1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)c(F)c1 ZINC000540707889 1127990635 /nfs/dbraw/zinc/99/06/35/1127990635.db2.gz DZFQWHAIDHZIMI-UHFFFAOYSA-N -1 1 296.301 3.653 20 0 CHADMM CCCc1cc(=O)[n-]c(SCc2nc(C)c(C)s2)n1 ZINC000173320533 1128086846 /nfs/dbraw/zinc/08/68/46/1128086846.db2.gz KHIZJHPEKFRLRM-UHFFFAOYSA-N -1 1 295.433 3.500 20 0 CHADMM Cc1cc2cc(C[N-]c3nnc(C(F)F)o3)oc2cc1C ZINC000189287925 1128176070 /nfs/dbraw/zinc/17/60/70/1128176070.db2.gz PKOYSWXQAIWJFO-UHFFFAOYSA-N -1 1 293.273 3.982 20 0 CHADMM CCCCN(C(=O)c1ncccc1[O-])[C@@H](C)c1ccccc1 ZINC000124125860 1128442120 /nfs/dbraw/zinc/44/21/20/1128442120.db2.gz HCDOLRAJJSXNBY-AWEZNQCLSA-N -1 1 298.386 3.791 20 0 CHADMM CN(CC1CCCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000064088551 1128446623 /nfs/dbraw/zinc/44/66/23/1128446623.db2.gz GAFJQXVKOLULRH-UHFFFAOYSA-N -1 1 283.371 3.808 20 0 CHADMM CC1(c2nc(-c3ccc([O-])cc3F)no2)CCCCC1 ZINC000565330386 1128524862 /nfs/dbraw/zinc/52/48/62/1128524862.db2.gz GYTICEOOEFSPNA-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM C[C@H]1CCC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000568142306 1128578426 /nfs/dbraw/zinc/57/84/26/1128578426.db2.gz FBTLGQCXZNCGGH-YUMQZZPRSA-N -1 1 274.336 3.791 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)oc1C ZINC000570782966 1128632207 /nfs/dbraw/zinc/63/22/07/1128632207.db2.gz METWNSOFPIWKKE-UHFFFAOYSA-N -1 1 290.706 3.972 20 0 CHADMM C[C@@H](CC1CCCCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000573527092 1128655482 /nfs/dbraw/zinc/65/54/82/1128655482.db2.gz WYNRRIWBPSYCHC-JTQLQIEISA-N -1 1 297.345 3.759 20 0 CHADMM Cc1cccc(CN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000920444686 1128681804 /nfs/dbraw/zinc/68/18/04/1128681804.db2.gz JSGKDVNXWRVXEC-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1CC1CCCC1 ZINC000655363683 1117942548 /nfs/dbraw/zinc/94/25/48/1117942548.db2.gz QRVOUQBQJUJBJN-ZDUSSCGKSA-N -1 1 291.366 3.716 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@@H](C)c1ccccc1 ZINC000339829547 1117982602 /nfs/dbraw/zinc/98/26/02/1117982602.db2.gz JFECQJODHBFVLX-AWEZNQCLSA-N -1 1 298.386 3.791 20 0 CHADMM CC[C@H](C)CN(CC)C(=O)c1c([O-])cccc1Cl ZINC000764503569 1118095907 /nfs/dbraw/zinc/09/59/07/1118095907.db2.gz PWYMRXCXABEVRD-JTQLQIEISA-N -1 1 269.772 3.554 20 0 CHADMM Cc1oc(CN(Cc2cccs2)C(C)C)cc1C(=O)[O-] ZINC000049029903 1118095846 /nfs/dbraw/zinc/09/58/46/1118095846.db2.gz LFZFCFJLWWRSND-UHFFFAOYSA-N -1 1 293.388 3.758 20 0 CHADMM CCc1cc(=O)[n-]c(SCCC2CCCCC2)n1 ZINC000683454985 1118165265 /nfs/dbraw/zinc/16/52/65/1118165265.db2.gz YTBOXFCMBIFPLG-UHFFFAOYSA-N -1 1 266.410 3.807 20 0 CHADMM CCOc1cc(-c2noc([C@@H]3C[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000683589431 1118204222 /nfs/dbraw/zinc/20/42/22/1118204222.db2.gz RMZUFZOANXFEMG-IONNQARKSA-N -1 1 294.738 3.618 20 0 CHADMM COc1ccc(F)c(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343306 1118244530 /nfs/dbraw/zinc/24/45/30/1118244530.db2.gz ZRVUVDIITMSFKX-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM CC1(C)[C@H](C(=O)Nc2cccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001648851191 1118258287 /nfs/dbraw/zinc/25/82/87/1118258287.db2.gz XZRYEZCNDFUJPY-CABCVRRESA-N -1 1 299.345 3.910 20 0 CHADMM Cc1c(Cl)cc(Nc2cc[nH]c(=O)c2)c([O-])c1Cl ZINC001212280376 1128781378 /nfs/dbraw/zinc/78/13/78/1128781378.db2.gz YMLMPTFSVPHACV-UHFFFAOYSA-N -1 1 285.130 3.852 20 0 CHADMM C[C@@H]1CC(NC(=O)c2ccc(Cl)cc2[O-])C[C@@H](C)C1 ZINC000084978870 1118504730 /nfs/dbraw/zinc/50/47/30/1118504730.db2.gz RTYVRRPGVPQOKC-UWVGGRQHSA-N -1 1 281.783 3.600 20 0 CHADMM [O-]c1cc(F)c(-c2ccccc2Cn2ccnc2)cc1F ZINC001211353547 1118507093 /nfs/dbraw/zinc/50/70/93/1118507093.db2.gz XPIBNNOEQPRVHT-UHFFFAOYSA-N -1 1 286.281 3.582 20 0 CHADMM COc1cc(C)ccc1-c1cc(F)c([O-])cc1F ZINC001211352129 1118507200 /nfs/dbraw/zinc/50/72/00/1118507200.db2.gz HYCFVOYJTYATIC-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(-n2cccc2)cc1 ZINC000605434938 1118618249 /nfs/dbraw/zinc/61/82/49/1118618249.db2.gz DKLRRSBOKKXICU-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM CCCCCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000211958970 1118703562 /nfs/dbraw/zinc/70/35/62/1118703562.db2.gz CWIRTUCGRAIAPG-UHFFFAOYSA-N -1 1 283.799 3.675 20 0 CHADMM O=C([O-])CCCc1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000657203253 1118922496 /nfs/dbraw/zinc/92/24/96/1118922496.db2.gz QHJHPRKANMHPKG-UHFFFAOYSA-N -1 1 298.264 3.503 20 0 CHADMM CCCC[C@H](CC)CSc1ncc(C)c(=O)[n-]1 ZINC000657261595 1118941593 /nfs/dbraw/zinc/94/15/93/1118941593.db2.gz HCPGIBUEPQNTNV-NSHDSACASA-N -1 1 254.399 3.799 20 0 CHADMM O=C(Nc1ccccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868476 1119078395 /nfs/dbraw/zinc/07/83/95/1119078395.db2.gz DBMVRNPVDWOSLQ-UHFFFAOYSA-N -1 1 281.233 3.663 20 0 CHADMM CSc1c(F)cccc1[N-]C(=O)c1ncoc1C1CC1 ZINC000617275253 1128827081 /nfs/dbraw/zinc/82/70/81/1128827081.db2.gz YUDMXWGBALCZEU-UHFFFAOYSA-N -1 1 292.335 3.665 20 0 CHADMM Cc1nsc([N-]c2cc(OC(C)C)ccc2F)n1 ZINC001212306297 1128837963 /nfs/dbraw/zinc/83/79/63/1128837963.db2.gz YUYGDQZYTHVRRI-UHFFFAOYSA-N -1 1 267.329 3.516 20 0 CHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000583301285 1119338145 /nfs/dbraw/zinc/33/81/45/1119338145.db2.gz CKXZKPBNRUYPGR-ZDUSSCGKSA-N -1 1 292.404 3.555 20 0 CHADMM Cc1ccc2c(CC(=O)Nc3c([O-])cccc3F)coc2c1 ZINC000092551688 1119341681 /nfs/dbraw/zinc/34/16/81/1119341681.db2.gz CJWJIHHANMUEKH-UHFFFAOYSA-N -1 1 299.301 3.767 20 0 CHADMM CC(C)C[C@]1(C)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000650711632 1119372739 /nfs/dbraw/zinc/37/27/39/1119372739.db2.gz AAEYNFDIPRMAHO-INIZCTEOSA-N -1 1 279.355 3.572 20 0 CHADMM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094069453 1119575550 /nfs/dbraw/zinc/57/55/50/1119575550.db2.gz KUYQNWBZMVLMMO-LBPRGKRZSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccccc1[O-])CCC2 ZINC000171288042 1119590610 /nfs/dbraw/zinc/59/06/10/1119590610.db2.gz JGWLPEHHBQAIKX-UHFFFAOYSA-N -1 1 281.355 3.602 20 0 CHADMM CCOc1cc(C(=O)NCC[C@H](C)CC)cc(Cl)c1[O-] ZINC000617632649 1128857202 /nfs/dbraw/zinc/85/72/02/1128857202.db2.gz MWOKVVTVJIYHMO-SNVBAGLBSA-N -1 1 299.798 3.610 20 0 CHADMM CC1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000685421199 1119604868 /nfs/dbraw/zinc/60/48/68/1119604868.db2.gz RZTXVRZEIPJQCD-UHFFFAOYSA-N -1 1 299.374 3.691 20 0 CHADMM N#Cc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191557002 1119735541 /nfs/dbraw/zinc/73/55/41/1119735541.db2.gz KQFVFSXITOXLEE-UHFFFAOYSA-N -1 1 276.698 3.668 20 0 CHADMM O=C(/C=C/c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000003074564 1120005476 /nfs/dbraw/zinc/00/54/76/1120005476.db2.gz OBRCNWNGFDIALN-RMKNXTFCSA-N -1 1 273.719 3.698 20 0 CHADMM Cc1cccc(CN(C)Cc2ccc([O-])c(F)c2F)c1 ZINC001140889890 1120078129 /nfs/dbraw/zinc/07/81/29/1120078129.db2.gz OYZWADKWMKKDHQ-UHFFFAOYSA-N -1 1 277.314 3.611 20 0 CHADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000685435747 1120159561 /nfs/dbraw/zinc/15/95/61/1120159561.db2.gz VTRYXRYMLHFPPS-QWRGUYRKSA-N -1 1 297.345 3.617 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc(Cl)n2)cc1Cl ZINC001214479894 1120239577 /nfs/dbraw/zinc/23/95/77/1120239577.db2.gz ISDAWPRUQHLAEL-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001625894250 1120243841 /nfs/dbraw/zinc/24/38/41/1120243841.db2.gz UIJQNIYPDCKSPB-NXEZZACHSA-N -1 1 283.318 3.825 20 0 CHADMM Nc1ccc(F)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489656 1120311879 /nfs/dbraw/zinc/31/18/79/1120311879.db2.gz FJGBJHCEBQHHJE-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM CCCCN(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000019838894 1120472543 /nfs/dbraw/zinc/47/25/43/1120472543.db2.gz UYHDBAZDXOBBRV-UHFFFAOYSA-N -1 1 271.360 3.808 20 0 CHADMM Cc1cccc2nc(-c3c[nH]c4ccccc34)[n-]c(=O)c12 ZINC000479775401 1120486792 /nfs/dbraw/zinc/48/67/92/1120486792.db2.gz YMJXGARDOVLCFN-UHFFFAOYSA-N -1 1 275.311 3.792 20 0 CHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000048652457 1120836843 /nfs/dbraw/zinc/83/68/43/1120836843.db2.gz LEOSLQCQYIUBQJ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM COc1c(F)cc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001211687212 1120878494 /nfs/dbraw/zinc/87/84/94/1120878494.db2.gz VPHZAWWXUISESS-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1occc1C(=O)[O-] ZINC000062015259 1120919700 /nfs/dbraw/zinc/91/97/00/1120919700.db2.gz XQEILTOTVIEDCR-JTQLQIEISA-N -1 1 293.750 3.824 20 0 CHADMM C[C@@H]1CC[C@H](c2nc(=O)c3c4ccccc4sc3[n-]2)O1 ZINC000630385165 1128955405 /nfs/dbraw/zinc/95/54/05/1128955405.db2.gz MXRMZBJXOKLKEN-PSASIEDQSA-N -1 1 286.356 3.790 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cncc(C(F)(F)F)c1 ZINC001174740882 1121019540 /nfs/dbraw/zinc/01/95/40/1121019540.db2.gz AEFJUYAXBUEAKF-UHFFFAOYSA-N -1 1 289.644 3.598 20 0 CHADMM Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1O ZINC001211699503 1121041139 /nfs/dbraw/zinc/04/11/39/1121041139.db2.gz BYFNQZVINRJHTE-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM CC(C)(C)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000070207522 1128959935 /nfs/dbraw/zinc/95/99/35/1128959935.db2.gz MUPASIUHBAGGCT-UHFFFAOYSA-N -1 1 269.344 3.942 20 0 CHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCC1 ZINC000674133548 1121095149 /nfs/dbraw/zinc/09/51/49/1121095149.db2.gz CRMKREPLUQPUMN-NSHDSACASA-N -1 1 299.374 3.547 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(F)c(F)c1F ZINC001174967973 1121117163 /nfs/dbraw/zinc/11/71/63/1121117163.db2.gz ORRRCOONXUVMMR-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(F)c(F)c2F)cc1F ZINC001174968639 1121118781 /nfs/dbraw/zinc/11/87/81/1121118781.db2.gz PUWGOMMZUOFJJX-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2ncccc2c1 ZINC000070333839 1128969706 /nfs/dbraw/zinc/96/97/06/1128969706.db2.gz ZMNKPZANUDNLKU-UHFFFAOYSA-N -1 1 298.729 3.846 20 0 CHADMM CCOc1cccc(F)c1Nc1ccc(F)c(F)c1[O-] ZINC001175227415 1121233253 /nfs/dbraw/zinc/23/32/53/1121233253.db2.gz SVDJPKWNCUTONF-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CSc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001175289042 1121256298 /nfs/dbraw/zinc/25/62/98/1121256298.db2.gz XDMKKLFSXTZQHY-UHFFFAOYSA-N -1 1 266.753 3.906 20 0 CHADMM CCOc1c(F)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001212538027 1121265250 /nfs/dbraw/zinc/26/52/50/1121265250.db2.gz WJARENSMWLPREN-UHFFFAOYSA-N -1 1 283.249 3.952 20 0 CHADMM CC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175264157 1121267939 /nfs/dbraw/zinc/26/79/39/1121267939.db2.gz BCTKLUKRXTZXQU-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000187421587 1121287016 /nfs/dbraw/zinc/28/70/16/1121287016.db2.gz MZSBASWCYBDTOV-WBMJQRKESA-N -1 1 283.371 3.806 20 0 CHADMM Cc1c2c[nH]nc2ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001175468072 1121332128 /nfs/dbraw/zinc/33/21/28/1121332128.db2.gz LRGIJPRNKLZCDO-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1cccc(Cl)c1F ZINC000675707857 1121345330 /nfs/dbraw/zinc/34/53/30/1121345330.db2.gz AMNTZITYAUHRFP-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cn1cc2ccc(Nc3cc([O-])c(Cl)cc3F)cc2n1 ZINC001175615573 1121412568 /nfs/dbraw/zinc/41/25/68/1121412568.db2.gz QOQFOKQZESAQNF-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM Cc1cc(F)cc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000676233970 1121416535 /nfs/dbraw/zinc/41/65/35/1121416535.db2.gz YMHYGXWNWBJKEH-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM COc1cc(F)c(Nc2c([O-])cc(F)cc2F)c(F)c1 ZINC001175724189 1121439937 /nfs/dbraw/zinc/43/99/37/1121439937.db2.gz LUDKRRUWFAIAGY-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000614185300 1121516368 /nfs/dbraw/zinc/51/63/68/1121516368.db2.gz NTXISJYUFMCQRI-GFCCVEGCSA-N -1 1 285.372 3.559 20 0 CHADMM S=c1[n-]c2ccc(Nc3ccc4nn[nH]c4c3)cc2s1 ZINC001176002892 1121520810 /nfs/dbraw/zinc/52/08/10/1121520810.db2.gz XFKWALDZTZVYLB-UHFFFAOYSA-N -1 1 299.384 3.600 20 0 CHADMM S=c1[n-]c2ccc(Nc3ccc4n[nH]nc4c3)cc2s1 ZINC001176002892 1121520817 /nfs/dbraw/zinc/52/08/17/1121520817.db2.gz XFKWALDZTZVYLB-UHFFFAOYSA-N -1 1 299.384 3.600 20 0 CHADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1O ZINC001176257810 1121595415 /nfs/dbraw/zinc/59/54/15/1121595415.db2.gz YCYZBFCSIUILGM-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1cc(F)c(Nc2cc(O)cc(Cl)c2)cc1F ZINC001176624145 1121663141 /nfs/dbraw/zinc/66/31/41/1121663141.db2.gz AAOHWSAXQXISOZ-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)c(F)c2O)c1F ZINC001176671024 1121671946 /nfs/dbraw/zinc/67/19/46/1121671946.db2.gz RDEOUNFJWSCTBO-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM COc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670648 1121672183 /nfs/dbraw/zinc/67/21/83/1121672183.db2.gz JIWVDMVTESPYLQ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(O)c2Cl)c1F ZINC001176673393 1121672880 /nfs/dbraw/zinc/67/28/80/1121672880.db2.gz UXSSJTNXPVHHLY-UHFFFAOYSA-N -1 1 289.640 3.912 20 0 CHADMM CCN(c1ccccc1N)c1c(F)cc(F)c([O-])c1F ZINC001176671976 1121673388 /nfs/dbraw/zinc/67/33/88/1121673388.db2.gz QNENQHBLVQEFTR-UHFFFAOYSA-N -1 1 282.265 3.550 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)c(F)cc2O)c1F ZINC001176673710 1121673608 /nfs/dbraw/zinc/67/36/08/1121673608.db2.gz XIICLAGEBAJOOR-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM CN1CCc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176673838 1121673636 /nfs/dbraw/zinc/67/36/36/1121673636.db2.gz OGOBVZUHBONXCY-UHFFFAOYSA-N -1 1 294.276 3.545 20 0 CHADMM CC(C)Oc1ncccc1Nc1ccc(F)c(F)c1[O-] ZINC001176736515 1121685817 /nfs/dbraw/zinc/68/58/17/1121685817.db2.gz DVBLLHRJBAWKSN-UHFFFAOYSA-N -1 1 280.274 3.596 20 0 CHADMM Cc1ccc(C(=O)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001249910109 1121833478 /nfs/dbraw/zinc/83/34/78/1121833478.db2.gz MSUCHMZVQVTRKM-UHFFFAOYSA-N -1 1 260.720 3.779 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)C12CCC(CC1)CC2 ZINC000710142770 1121893556 /nfs/dbraw/zinc/89/35/56/1121893556.db2.gz GYHLJJDLAXAFBF-UHFFFAOYSA-N -1 1 279.767 3.955 20 0 CHADMM Cc1nc(SCC2CC(C)C2)[n-]c(=O)c1C1CC1 ZINC000901586189 1129026472 /nfs/dbraw/zinc/02/64/72/1129026472.db2.gz GGCONRDXCRWGGM-UHFFFAOYSA-N -1 1 264.394 3.506 20 0 CHADMM [O-]c1ccc(Cc2nc(C3CCCC3)no2)cc1Cl ZINC000632028474 1129035803 /nfs/dbraw/zinc/03/58/03/1129035803.db2.gz KBIQREPJXROGFM-UHFFFAOYSA-N -1 1 278.739 3.677 20 0 CHADMM CCC[C@H](Oc1cc([O-])cc(O)c1C(C)=O)[C@H](C)CC ZINC001225678841 1122255829 /nfs/dbraw/zinc/25/58/29/1122255829.db2.gz KZFOXWHDFMFPQR-YGRLFVJLSA-N -1 1 280.364 3.894 20 0 CHADMM O=C(Nc1cc(Cl)c(Cl)cc1[O-])NC1CCCC1 ZINC001185901494 1122364907 /nfs/dbraw/zinc/36/49/07/1122364907.db2.gz AWVVFJAGMDSRMC-UHFFFAOYSA-N -1 1 289.162 3.763 20 0 CHADMM CCN(C)c1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250234635 1122381602 /nfs/dbraw/zinc/38/16/02/1122381602.db2.gz UEMMHHWEUZCTEZ-UHFFFAOYSA-N -1 1 295.745 3.779 20 0 CHADMM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC001186337605 1122387222 /nfs/dbraw/zinc/38/72/22/1122387222.db2.gz NLYRHZAHTOBCKF-HWPZZCPQSA-N -1 1 285.318 3.510 20 0 CHADMM C[C@@H](NC(=O)Nc1ccc(F)cc1[O-])C1CCCCC1 ZINC001186339144 1122387578 /nfs/dbraw/zinc/38/75/78/1122387578.db2.gz ZBQMTESXBIZUGW-SNVBAGLBSA-N -1 1 280.343 3.622 20 0 CHADMM C[C@@H](NC(=O)Nc1cc([O-])c(F)cc1F)C1CCCCC1 ZINC001186343901 1122387761 /nfs/dbraw/zinc/38/77/61/1122387761.db2.gz ZWCJGEVKDNQQEP-SECBINFHSA-N -1 1 298.333 3.761 20 0 CHADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187385025 1122428077 /nfs/dbraw/zinc/42/80/77/1122428077.db2.gz NEIHTJIZYFZYTL-DTWKUNHWSA-N -1 1 295.857 3.505 20 0 CHADMM O=C(Nc1cc(F)cc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC001187570020 1122432718 /nfs/dbraw/zinc/43/27/18/1122432718.db2.gz DGBGMKSCGIIPDN-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cccc([O-])c1Cl ZINC001187577008 1122432879 /nfs/dbraw/zinc/43/28/79/1122432879.db2.gz ISJPJVFXBHQIGH-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCc1ccccc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001187643326 1122436491 /nfs/dbraw/zinc/43/64/91/1122436491.db2.gz BLYCJKHPDSTECN-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM C/C=C\c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000514978609 1122468496 /nfs/dbraw/zinc/46/84/96/1122468496.db2.gz CYSYYEMDCZAAJZ-IHWYPQMZSA-N -1 1 289.281 3.956 20 0 CHADMM CC1(C)CC(CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC001189476996 1122501948 /nfs/dbraw/zinc/50/19/48/1122501948.db2.gz UJVIISMOEFVMER-UHFFFAOYSA-N -1 1 274.336 3.648 20 0 CHADMM CSc1ccc(Cc2c(F)cc([O-])cc2F)cc1 ZINC001250335673 1122502962 /nfs/dbraw/zinc/50/29/62/1122502962.db2.gz WMNQAYYHXRVZTR-UHFFFAOYSA-N -1 1 266.312 3.983 20 0 CHADMM Cc1cccc([C@@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151771340 1122505697 /nfs/dbraw/zinc/50/56/97/1122505697.db2.gz HJOPMAPERCUKDH-LLVKDONJSA-N -1 1 273.307 3.582 20 0 CHADMM CCC(CC)N(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633110174 1129062232 /nfs/dbraw/zinc/06/22/32/1129062232.db2.gz LRUIYEVRRMYOPZ-UHFFFAOYSA-N -1 1 283.799 3.625 20 0 CHADMM Cc1ccc(C(=O)Nc2nc(-c3ccccc3)co2)c([O-])c1 ZINC000436535547 1122558519 /nfs/dbraw/zinc/55/85/19/1122558519.db2.gz NKIGJTZPRBBNPI-UHFFFAOYSA-N -1 1 294.310 3.608 20 0 CHADMM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436583627 1122563805 /nfs/dbraw/zinc/56/38/05/1122563805.db2.gz DWNVXDYCFJCSPK-LBPRGKRZSA-N -1 1 295.810 3.944 20 0 CHADMM CC(C)CC[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436586718 1122564330 /nfs/dbraw/zinc/56/43/30/1122564330.db2.gz MZCHAAPFDPKWDM-CQSZACIVSA-N -1 1 293.382 3.962 20 0 CHADMM [O-]c1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c(F)c1 ZINC000436614937 1122565014 /nfs/dbraw/zinc/56/50/14/1122565014.db2.gz BHPCOWKDCOCQCB-UONOGXRCSA-N -1 1 296.301 3.852 20 0 CHADMM CCc1noc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436602393 1122565438 /nfs/dbraw/zinc/56/54/38/1122565438.db2.gz FKDWKQCKZOYGPH-UHFFFAOYSA-N -1 1 288.347 3.627 20 0 CHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000436622047 1122567914 /nfs/dbraw/zinc/56/79/14/1122567914.db2.gz CJYNLBCTARCSNJ-UHFFFAOYSA-N -1 1 285.343 3.777 20 0 CHADMM Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762758 1122578493 /nfs/dbraw/zinc/57/84/93/1122578493.db2.gz GWBXVOHWQSWTDB-UHFFFAOYSA-N -1 1 295.260 3.972 20 0 CHADMM CCN(CC(C)(C)C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436841048 1122588313 /nfs/dbraw/zinc/58/83/13/1122588313.db2.gz UHVOOLMLRQLSFF-UHFFFAOYSA-N -1 1 299.798 3.562 20 0 CHADMM CCSCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000436912582 1122593652 /nfs/dbraw/zinc/59/36/52/1122593652.db2.gz DKMPUKJDBZJYKA-UHFFFAOYSA-N -1 1 287.384 3.898 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1CC1CCC1 ZINC000620569384 1129065148 /nfs/dbraw/zinc/06/51/48/1129065148.db2.gz VOEYMVGIHPAHTH-AWEZNQCLSA-N -1 1 291.366 3.716 20 0 CHADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1CC1CCC1 ZINC000620568650 1129066055 /nfs/dbraw/zinc/06/60/55/1129066055.db2.gz PLLNAWOCVPEFLX-AWEZNQCLSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2[O-])cn1 ZINC001192313663 1122638247 /nfs/dbraw/zinc/63/82/47/1122638247.db2.gz GUJNMTCTRFZIHM-UHFFFAOYSA-N -1 1 298.386 3.954 20 0 CHADMM CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])c1ccccc1N ZINC001192323027 1122638260 /nfs/dbraw/zinc/63/82/60/1122638260.db2.gz XEGAVYBFQLTPPF-UHFFFAOYSA-N -1 1 298.386 3.549 20 0 CHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(F)c2F)ccc1F ZINC001192382021 1122642643 /nfs/dbraw/zinc/64/26/43/1122642643.db2.gz GNFPYLADAVFRQR-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM Cc1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001250470305 1122644843 /nfs/dbraw/zinc/64/48/43/1122644843.db2.gz MPBBYNLSVLBICE-UHFFFAOYSA-N -1 1 253.223 3.781 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC001192553259 1122651028 /nfs/dbraw/zinc/65/10/28/1122651028.db2.gz ZGDYWRDYIGXFTB-UWVGGRQHSA-N -1 1 297.345 3.615 20 0 CHADMM O=C(Nc1cc([O-])c(Cl)cc1F)OC1CCCC1 ZINC001193555701 1122700461 /nfs/dbraw/zinc/70/04/61/1122700461.db2.gz FYFCREHPGAOHLN-UHFFFAOYSA-N -1 1 273.691 3.676 20 0 CHADMM O=C(Nc1cc(F)c(F)cc1[O-])OC1CCCCC1 ZINC001193632700 1122702987 /nfs/dbraw/zinc/70/29/87/1122702987.db2.gz PXLJERVMIIOALU-UHFFFAOYSA-N -1 1 271.263 3.552 20 0 CHADMM O=C(Nc1c([O-])cccc1Cl)Oc1ccccc1 ZINC001194251440 1122761952 /nfs/dbraw/zinc/76/19/52/1122761952.db2.gz LXNBTSZPWNVCKZ-UHFFFAOYSA-N -1 1 263.680 3.657 20 0 CHADMM CCOC(=O)NC(=S)[N-]c1c(C)cccc1C(C)(C)C ZINC001195492173 1122872719 /nfs/dbraw/zinc/87/27/19/1122872719.db2.gz DTCQTRIPSRLNHK-UHFFFAOYSA-N -1 1 294.420 3.735 20 0 CHADMM [O-]c1cc(NC(=S)Nc2ccccc2F)c(F)cc1F ZINC001195773280 1122886627 /nfs/dbraw/zinc/88/66/27/1122886627.db2.gz LGOOFHGHJDGLSG-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2C)o1 ZINC000426799474 1122916663 /nfs/dbraw/zinc/91/66/63/1122916663.db2.gz KZSADGSUNNABTK-HNNXBMFYSA-N -1 1 287.359 3.510 20 0 CHADMM CN(Cc1ccc(F)cc1)Cc1cccc([O-])c1Cl ZINC000506979927 1122916960 /nfs/dbraw/zinc/91/69/60/1122916960.db2.gz XLWBGBRQCWMUBD-UHFFFAOYSA-N -1 1 279.742 3.817 20 0 CHADMM [O-]c1cc(NC(=S)Nc2ccc(F)cc2)c(F)cc1F ZINC001196942058 1122940038 /nfs/dbraw/zinc/94/00/38/1122940038.db2.gz LAJNQZOIXXVOHP-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM CSc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000334187357 1122968807 /nfs/dbraw/zinc/96/88/07/1122968807.db2.gz GBPJHUCXFOUKPA-UHFFFAOYSA-N -1 1 295.310 3.645 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001198403506 1122989493 /nfs/dbraw/zinc/98/94/93/1122989493.db2.gz KAONCVAEGBWCRD-UHFFFAOYSA-N -1 1 293.779 3.558 20 0 CHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnsn1 ZINC000104482582 1122995081 /nfs/dbraw/zinc/99/50/81/1122995081.db2.gz CGAPVSMGNUASRJ-UHFFFAOYSA-N -1 1 299.808 3.556 20 0 CHADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000154871733 1129092308 /nfs/dbraw/zinc/09/23/08/1129092308.db2.gz WZEFFISHABLTNJ-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM O=C(Nc1ccsc1Cl)c1c(F)ccc([O-])c1F ZINC000519694508 1123017185 /nfs/dbraw/zinc/01/71/85/1123017185.db2.gz QHEJRPOHKHXKNJ-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000050566662 1123094199 /nfs/dbraw/zinc/09/41/99/1123094199.db2.gz YWGKOFCSUBZPKH-QWHCGFSZSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(Nc1ccccc1F)Nc1cc([O-])c(Cl)cc1F ZINC001202000781 1123169062 /nfs/dbraw/zinc/16/90/62/1123169062.db2.gz DADDRTULMFFGPF-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1cc(Cl)ncc1[O-] ZINC001202053268 1123170692 /nfs/dbraw/zinc/17/06/92/1123170692.db2.gz OVJFAWNNABBOMH-UHFFFAOYSA-N -1 1 298.129 3.738 20 0 CHADMM O=C(Nc1ccccc1Cl)Nc1cc([O-])c(F)cc1F ZINC001202063931 1123171233 /nfs/dbraw/zinc/17/12/33/1123171233.db2.gz ITXBYEMGPUMSKW-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CCCC[C@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001252101197 1123177048 /nfs/dbraw/zinc/17/70/48/1123177048.db2.gz NAUGKKFDSXERCC-QMMMGPOBSA-N -1 1 278.179 3.662 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001202184783 1123183178 /nfs/dbraw/zinc/18/31/78/1123183178.db2.gz HHKHUXFGLYJQOS-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001202186173 1123183798 /nfs/dbraw/zinc/18/37/98/1123183798.db2.gz YENICRHMZKHFLC-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC001202247296 1123193244 /nfs/dbraw/zinc/19/32/44/1123193244.db2.gz GEDQYEFMMGGRDW-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1c(=O)[n-]c(SC2CCCC2)nc1-c1ccccc1 ZINC000016853161 1123209917 /nfs/dbraw/zinc/20/99/17/1123209917.db2.gz VIOPMIHRTNSHQN-UHFFFAOYSA-N -1 1 286.400 3.780 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(Cl)c1 ZINC000427694352 1123240465 /nfs/dbraw/zinc/24/04/65/1123240465.db2.gz IYURLTKBSUMHFK-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC12CCCCC2 ZINC000335019416 1123291132 /nfs/dbraw/zinc/29/11/32/1123291132.db2.gz XEHNXRTXFQKSBA-VIFPVBQESA-N -1 1 281.302 3.579 20 0 CHADMM Cc1nc(SCC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631022847 1123396988 /nfs/dbraw/zinc/39/69/88/1123396988.db2.gz AVWCAEAZKDNZGH-UHFFFAOYSA-N -1 1 264.394 3.650 20 0 CHADMM CCCCc1cc(=O)n(-c2ccc(OC(F)F)cc2)[n-]1 ZINC000634601552 1129119761 /nfs/dbraw/zinc/11/97/61/1129119761.db2.gz PYYUCBXVRSJILA-UHFFFAOYSA-N -1 1 282.290 3.571 20 0 CHADMM CC/C(C)=C(\C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675799 1123480313 /nfs/dbraw/zinc/48/03/13/1123480313.db2.gz BCTJUNBRGPGZEU-BQYQJAHWSA-N -1 1 271.719 3.870 20 0 CHADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675860 1123480469 /nfs/dbraw/zinc/48/04/69/1123480469.db2.gz CVJJGERAUDRMLH-BDAKNGLRSA-N -1 1 285.746 3.950 20 0 CHADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1[O-] ZINC000011769821 1123481501 /nfs/dbraw/zinc/48/15/01/1123481501.db2.gz WAOMQPKGNWRTPV-UHFFFAOYSA-N -1 1 296.370 3.553 20 0 CHADMM CN(C[C@@H]1CC1(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000621055629 1129125911 /nfs/dbraw/zinc/12/59/11/1129125911.db2.gz ZFNZTVVHSGDAPL-AWEZNQCLSA-N -1 1 283.371 3.664 20 0 CHADMM CSc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000339007014 1123619881 /nfs/dbraw/zinc/61/98/81/1123619881.db2.gz HKAQETFTLKZYPG-UHFFFAOYSA-N -1 1 283.736 3.613 20 0 CHADMM CSC1(c2noc(-c3ccc4ccccc4c3[O-])n2)CC1 ZINC000896782109 1123623597 /nfs/dbraw/zinc/62/35/97/1123623597.db2.gz OVVXARMOUOGJFA-UHFFFAOYSA-N -1 1 298.367 3.948 20 0 CHADMM CCN(C(=O)c1ccccc1[O-])c1cc(C)cc(C)c1 ZINC000192477155 1123642605 /nfs/dbraw/zinc/64/26/05/1123642605.db2.gz LGKHUXHDKALQAM-UHFFFAOYSA-N -1 1 269.344 3.676 20 0 CHADMM O=c1nc(N2CCC[C@@H]2CCC2CCCC2)cc(Cl)[n-]1 ZINC000858450929 1123655193 /nfs/dbraw/zinc/65/51/93/1123655193.db2.gz OXFCLNVONDKITD-GFCCVEGCSA-N -1 1 295.814 3.775 20 0 CHADMM CC(C)CC[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858448008 1123655508 /nfs/dbraw/zinc/65/55/08/1123655508.db2.gz USNUQIWRNXCLFS-NSHDSACASA-N -1 1 283.803 3.631 20 0 CHADMM Cc1ccccc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000042255370 1123781796 /nfs/dbraw/zinc/78/17/96/1123781796.db2.gz HDZOBDXWZPBAOY-UHFFFAOYSA-N -1 1 289.762 3.626 20 0 CHADMM CC(C)Cc1nsc([N-]c2cnn([C@H](C)C3CC3)c2)n1 ZINC000302442258 1123968204 /nfs/dbraw/zinc/96/82/04/1123968204.db2.gz QSBSQJUFVNHOSV-SNVBAGLBSA-N -1 1 291.424 3.648 20 0 CHADMM C[C@H]1CCC(C)(C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000923982100 1124032719 /nfs/dbraw/zinc/03/27/19/1124032719.db2.gz GPVMLRQITBEZCA-JTQLQIEISA-N -1 1 296.798 3.518 20 0 CHADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445470764 1124084397 /nfs/dbraw/zinc/08/43/97/1124084397.db2.gz FYCATBJBNUFSMD-ALCCZGGFSA-N -1 1 286.262 3.653 20 0 CHADMM CCC1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000445455068 1124084988 /nfs/dbraw/zinc/08/49/88/1124084988.db2.gz BTYRSLUNVYQKPC-UHFFFAOYSA-N -1 1 276.311 3.803 20 0 CHADMM C[C@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445457024 1124085307 /nfs/dbraw/zinc/08/53/07/1124085307.db2.gz QJAHMRWSRVEVKX-UWVGGRQHSA-N -1 1 276.311 3.875 20 0 CHADMM [O-]c1ccc(-c2noc(/C=C/c3cccs3)n2)c(F)c1 ZINC000445457415 1124085403 /nfs/dbraw/zinc/08/54/03/1124085403.db2.gz RTSQNLJTEJQIEP-GQCTYLIASA-N -1 1 288.303 3.813 20 0 CHADMM C[C@@H](c1ccsc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445474275 1124087580 /nfs/dbraw/zinc/08/75/80/1124087580.db2.gz PVZNPIMZYWRHMP-QMMMGPOBSA-N -1 1 290.319 3.795 20 0 CHADMM CCCc1cc(=O)n(-c2ccc(Br)c(C)c2)[n-]1 ZINC001245925169 1131247978 /nfs/dbraw/zinc/24/79/78/1131247978.db2.gz PEPXORFUVUNYPB-UHFFFAOYSA-N -1 1 295.180 3.601 20 0 CHADMM Cc1ccc2nc(-c3coc(C4CCC4)n3)[n-]c(=O)c2c1C ZINC000871602415 1124619683 /nfs/dbraw/zinc/61/96/83/1124619683.db2.gz SINAJBVIFFXXGP-UHFFFAOYSA-N -1 1 295.342 3.875 20 0 CHADMM CCC[C@@H](CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000873993069 1124813482 /nfs/dbraw/zinc/81/34/82/1124813482.db2.gz MMAVWJBYJQDEIO-LLVKDONJSA-N -1 1 287.363 3.547 20 0 CHADMM Cc1ccccc1-c1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874927186 1124868459 /nfs/dbraw/zinc/86/84/59/1124868459.db2.gz DMPTWNIDFGBHHO-GDNBJRDFSA-N -1 1 295.363 3.986 20 0 CHADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450295101 1124973989 /nfs/dbraw/zinc/97/39/89/1124973989.db2.gz UYANYSBZZNOUJW-OTYXRUKQSA-N -1 1 267.756 3.810 20 0 CHADMM CCN(CCC1CC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897396827 1125292953 /nfs/dbraw/zinc/29/29/53/1125292953.db2.gz ZHFBSQSJKCRZSA-UHFFFAOYSA-N -1 1 299.370 3.513 20 0 CHADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000039975143 1125341673 /nfs/dbraw/zinc/34/16/73/1125341673.db2.gz GELLMVIVCYCUSB-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CCCN(C(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000036819327 1125362444 /nfs/dbraw/zinc/36/24/44/1125362444.db2.gz YZOBONBREGVXGT-UHFFFAOYSA-N -1 1 271.360 3.806 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2cccc(C(F)F)c2)n1 ZINC000475866822 1125418832 /nfs/dbraw/zinc/41/88/32/1125418832.db2.gz OGOIPSLKSXSZCF-UHFFFAOYSA-N -1 1 296.342 3.975 20 0 CHADMM CCCC[C@H](C(=O)Nc1c([O-])cccc1F)C(C)C ZINC000621871354 1129201642 /nfs/dbraw/zinc/20/16/42/1129201642.db2.gz JJMWHWFHOVPOSK-NSHDSACASA-N -1 1 267.344 3.932 20 0 CHADMM [O-]c1cccc(CNc2ccc3n[nH]cc3c2)c1Cl ZINC000336904815 1129239689 /nfs/dbraw/zinc/23/96/89/1129239689.db2.gz WKMJLQLSXIRQQZ-UHFFFAOYSA-N -1 1 273.723 3.534 20 0 CHADMM [O-]c1ccc(F)cc1-c1cccc(COCC2CC2)n1 ZINC001240696421 1129321484 /nfs/dbraw/zinc/32/14/84/1129321484.db2.gz PMTAUXCVFPXLFG-UHFFFAOYSA-N -1 1 273.307 3.520 20 0 CHADMM CC[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000740933458 1129423740 /nfs/dbraw/zinc/42/37/40/1129423740.db2.gz ZPNQOBACBHAWDN-QWRGUYRKSA-N -1 1 281.783 3.744 20 0 CHADMM CC[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000740933456 1129423964 /nfs/dbraw/zinc/42/39/64/1129423964.db2.gz ZPNQOBACBHAWDN-GHMZBOCLSA-N -1 1 281.783 3.744 20 0 CHADMM CCc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000740928780 1129424076 /nfs/dbraw/zinc/42/40/76/1129424076.db2.gz SWGPPFOTKZEKSY-UHFFFAOYSA-N -1 1 289.762 3.538 20 0 CHADMM Cc1cccc2ncc(-c3c(F)cc([O-])cc3F)nc12 ZINC001241117592 1129456703 /nfs/dbraw/zinc/45/67/03/1129456703.db2.gz SLVNYXAUQXSVNE-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CC(C)COc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241121627 1129458547 /nfs/dbraw/zinc/45/85/47/1129458547.db2.gz OOIGPWLWSLNQDR-UHFFFAOYSA-N -1 1 279.286 3.767 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(-c3ncco3)cc2)c(F)c1 ZINC001241120836 1129458597 /nfs/dbraw/zinc/45/85/97/1129458597.db2.gz NWMIBYPLSQHIQN-UHFFFAOYSA-N -1 1 273.238 3.992 20 0 CHADMM Cc1ccc2c(c1)[C@@H](NCc1cccc([O-])c1Cl)CO2 ZINC000645163885 1129489641 /nfs/dbraw/zinc/48/96/41/1129489641.db2.gz LZUQWRIRBJKKFT-ZDUSSCGKSA-N -1 1 289.762 3.577 20 0 CHADMM CC[C@H](C)n1nc(NCc2cccc([O-])c2Cl)cc1C ZINC000645171665 1129490450 /nfs/dbraw/zinc/49/04/50/1129490450.db2.gz URFNBSPWGYDEOG-JTQLQIEISA-N -1 1 293.798 3.556 20 0 CHADMM Cc1ccc2nc(C(=O)Nc3c([O-])cccc3F)ccc2c1 ZINC000645926855 1129513727 /nfs/dbraw/zinc/51/37/27/1129513727.db2.gz BCNDANGTVTXBKW-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c([O-])cccc1Cl ZINC000743712152 1129534481 /nfs/dbraw/zinc/53/44/81/1129534481.db2.gz LKJCEGJKEMZHBH-GRYCIOLGSA-N -1 1 293.794 3.744 20 0 CHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC(C)(C)C)c1 ZINC000745067845 1129593549 /nfs/dbraw/zinc/59/35/49/1129593549.db2.gz PQXZSRVWZTZTTI-UHFFFAOYSA-N -1 1 292.375 3.507 20 0 CHADMM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137550222 1129606011 /nfs/dbraw/zinc/60/60/11/1129606011.db2.gz FMGXOCKUPSGLTH-BDJLRTHQSA-N -1 1 299.370 3.560 20 0 CHADMM CCCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000822543291 1131386449 /nfs/dbraw/zinc/38/64/49/1131386449.db2.gz SMORFKMYHJELNQ-UHFFFAOYSA-N -1 1 269.291 3.579 20 0 CHADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc(F)cn1 ZINC001242125952 1129658859 /nfs/dbraw/zinc/65/88/59/1129658859.db2.gz CFNSZORGZVNETF-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM C[C@@H](CC1CCC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001169251118 1129712923 /nfs/dbraw/zinc/71/29/23/1129712923.db2.gz NAEYFEOPKMSRNL-LBPRGKRZSA-N -1 1 283.371 3.854 20 0 CHADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000766783342 1129746740 /nfs/dbraw/zinc/74/67/40/1129746740.db2.gz CBCRCOOMJXYGQH-JTQLQIEISA-N -1 1 297.276 3.553 20 0 CHADMM Nc1ccc2cn(-c3ccc(Cl)c([O-])c3)nc2c1Cl ZINC001212595350 1129756987 /nfs/dbraw/zinc/75/69/87/1129756987.db2.gz PIUVWGGLCAFOKE-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM CC(C)CCN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652388701 1129764272 /nfs/dbraw/zinc/76/42/72/1129764272.db2.gz VEECVPBAJMPYJE-ZDUSSCGKSA-N -1 1 287.762 3.583 20 0 CHADMM CCCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767297367 1129785072 /nfs/dbraw/zinc/78/50/72/1129785072.db2.gz WUOWCFVAELSCFP-UHFFFAOYSA-N -1 1 273.307 3.736 20 0 CHADMM [O-]c1c(Cl)cccc1-c1cncc(-c2ncco2)c1 ZINC001242367409 1129798889 /nfs/dbraw/zinc/79/88/89/1129798889.db2.gz LFJPHNRKBXINJN-UHFFFAOYSA-N -1 1 272.691 3.763 20 0 CHADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000900561582 1129885594 /nfs/dbraw/zinc/88/55/94/1129885594.db2.gz FIZUYGCLNZNKBU-RYUDHWBXSA-N -1 1 299.370 3.654 20 0 CHADMM CC(C)N(Cc1ccco1)C(=O)c1c([O-])cccc1Cl ZINC000769736650 1129923393 /nfs/dbraw/zinc/92/33/93/1129923393.db2.gz ZIDKYGGMFUTDQH-UHFFFAOYSA-N -1 1 293.750 3.689 20 0 CHADMM Cc1cc(C)c(/C=C/CNCc2cc(C(=O)[O-])co2)c(C)c1 ZINC000901952012 1129967795 /nfs/dbraw/zinc/96/77/95/1129967795.db2.gz IAFHRFRYUPWXBY-SNAWJCMRSA-N -1 1 299.370 3.706 20 0 CHADMM C[C@H]1CCN(Cc2ccc(-c3ccccc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018087 1129972110 /nfs/dbraw/zinc/97/21/10/1129972110.db2.gz TXFXLBCXWJASTK-BBRMVZONSA-N -1 1 299.370 3.632 20 0 CHADMM Cc1oc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000902329815 1130000293 /nfs/dbraw/zinc/00/02/93/1130000293.db2.gz NUNBARYTRHRUTH-GOSISDBHSA-N -1 1 299.370 3.701 20 0 CHADMM CCOC(=O)c1cc(-c2cccc([O-])c2Cl)cnc1C ZINC001242800398 1130055552 /nfs/dbraw/zinc/05/55/52/1130055552.db2.gz HRGPBXBNXSUVOF-UHFFFAOYSA-N -1 1 291.734 3.593 20 0 CHADMM CCN(C(=O)c1cncc([O-])c1)c1ccc2ccccc2c1 ZINC000786027098 1130071613 /nfs/dbraw/zinc/07/16/13/1130071613.db2.gz HQOFSSFFESRSOP-UHFFFAOYSA-N -1 1 292.338 3.607 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)c(F)c1 ZINC000677980519 1130340477 /nfs/dbraw/zinc/34/04/77/1130340477.db2.gz OYWZAPCOPHHQOR-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CN(C)Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001240550516 1130353230 /nfs/dbraw/zinc/35/32/30/1130353230.db2.gz IOWQNJXXYAVFRK-RMKNXTFCSA-N -1 1 299.345 3.652 20 0 CHADMM Cc1cnc(Cl)nc1/C=C/c1ccc([O-])c(Cl)c1 ZINC000791434347 1130373139 /nfs/dbraw/zinc/37/31/39/1130373139.db2.gz KWEUKSVSXPEGGJ-DUXPYHPUSA-N -1 1 281.142 3.968 20 0 CHADMM COc1cc(-c2ccc([O-])c(F)c2F)c(OC)cc1C ZINC001243341853 1130383576 /nfs/dbraw/zinc/38/35/76/1130383576.db2.gz FEDVKCAFZIEVJH-UHFFFAOYSA-N -1 1 280.270 3.663 20 0 CHADMM CC(C)(C)OC(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240693319 1130421303 /nfs/dbraw/zinc/42/13/03/1130421303.db2.gz MVHATRCAUDHKTO-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM C[C@@H]1CCCCN1c1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240695775 1130422148 /nfs/dbraw/zinc/42/21/48/1130422148.db2.gz RGFUJXIJYUSROJ-GFCCVEGCSA-N -1 1 286.350 3.972 20 0 CHADMM [O-]c1ccc(F)cc1-c1cncc(OCC2CCCC2)n1 ZINC001240696647 1130423757 /nfs/dbraw/zinc/42/37/57/1130423757.db2.gz VCWXSUAHNLMPAO-UHFFFAOYSA-N -1 1 288.322 3.557 20 0 CHADMM COc1ccc(-c2cnc(-c3ccc([O-])c(F)c3)nc2)cc1 ZINC001240782579 1130468399 /nfs/dbraw/zinc/46/83/99/1130468399.db2.gz AXUWVJUXPAZZBT-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM Cc1nc2sccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783575 1130468666 /nfs/dbraw/zinc/46/86/66/1130468666.db2.gz PTIAALKKJZBQEO-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM COc1ccc(-c2ccc(-c3ccc([O-])c(F)c3)nn2)cc1 ZINC001240783478 1130468733 /nfs/dbraw/zinc/46/87/33/1130468733.db2.gz UTCFLZUDTLDMDT-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM [O-]c1ccc(-c2ncnc3[nH]c4ccccc4c32)cc1F ZINC001240782116 1130468744 /nfs/dbraw/zinc/46/87/44/1130468744.db2.gz QAUAVCDLTIOHBO-UHFFFAOYSA-N -1 1 279.274 3.623 20 0 CHADMM CCc1cc2c(ccnc2-c2ccc([O-])c(F)c2)o1 ZINC001240786124 1130469698 /nfs/dbraw/zinc/46/96/98/1130469698.db2.gz MRCMLHOZRSVTGI-UHFFFAOYSA-N -1 1 257.264 3.902 20 0 CHADMM CSc1cc(C)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243506698 1130520126 /nfs/dbraw/zinc/52/01/26/1130520126.db2.gz JMIJENWQEJQSPR-UHFFFAOYSA-N -1 1 267.300 3.763 20 0 CHADMM CCCCC[C@@](C)(CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000780536050 1130682471 /nfs/dbraw/zinc/68/24/71/1130682471.db2.gz MOJQJQQVOLLJRD-UKRRQHHQSA-N -1 1 271.401 3.557 20 0 CHADMM CC(=O)CCCCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000780992099 1130698806 /nfs/dbraw/zinc/69/88/06/1130698806.db2.gz SZXSUAVQALTDKD-UHFFFAOYSA-N -1 1 297.782 3.914 20 0 CHADMM Cc1c(Cl)c(-c2cccn3cncc23)ccc1C(=O)[O-] ZINC001236129435 1130871586 /nfs/dbraw/zinc/87/15/86/1130871586.db2.gz SXXJFXOKWYWXKX-UHFFFAOYSA-N -1 1 286.718 3.661 20 0 CHADMM COc1ccc2nc(C)nc(-c3c(F)ccc(C)c3[O-])c2c1 ZINC001236391237 1130925008 /nfs/dbraw/zinc/92/50/08/1130925008.db2.gz MRUYGQVAMHRHFU-UHFFFAOYSA-N -1 1 298.317 3.767 20 0 CHADMM Cc1c[nH]c2nc(-c3c(F)ccc(C)c3[O-])ccc12 ZINC001236394379 1130926136 /nfs/dbraw/zinc/92/61/36/1130926136.db2.gz XEKVQAXFYZPADU-UHFFFAOYSA-N -1 1 256.280 3.691 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265.313 3.552 20 0 CHADMM [O-]c1cccc(-c2nc(-c3ccc(F)cc3F)no2)c1F ZINC001215984053 1134740155 /nfs/dbraw/zinc/74/01/55/1134740155.db2.gz IDOXILXMZITOGC-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM Cc1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215988947 1134742985 /nfs/dbraw/zinc/74/29/85/1134742985.db2.gz MFQQGGLQGVJZCE-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1coc([N-]c2cc(-c3ccccc3)cnc2F)n1 ZINC001216068307 1134765417 /nfs/dbraw/zinc/76/54/17/1134765417.db2.gz JSIDZWOVSRQGDJ-UHFFFAOYSA-N -1 1 269.279 3.928 20 0 CHADMM [O-]c1cc(F)cc(-c2nc(-c3cc(F)ccc3F)no2)c1 ZINC001216339505 1134859874 /nfs/dbraw/zinc/85/98/74/1134859874.db2.gz JPFNPHLZPOWBIW-UHFFFAOYSA-N -1 1 292.216 3.527 20 0 CHADMM CC(C)(O)c1cc(F)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001216494696 1134908819 /nfs/dbraw/zinc/90/88/19/1134908819.db2.gz IAWBTXWJFGOTBV-UHFFFAOYSA-N -1 1 297.276 3.781 20 0 CHADMM Cc1nnc([N-]c2ccc(-c3nc4ccccc4o3)cc2)o1 ZINC001216686310 1134944730 /nfs/dbraw/zinc/94/47/30/1134944730.db2.gz QKJLTVJPXBGXGS-UHFFFAOYSA-N -1 1 292.298 3.930 20 0 CHADMM Cc1cccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)c1C ZINC001216986040 1134957091 /nfs/dbraw/zinc/95/70/91/1134957091.db2.gz HGTBXDOYYHNEFP-UHFFFAOYSA-N -1 1 296.326 3.740 20 0 CHADMM Cc1ccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cc1C ZINC001216987519 1134957852 /nfs/dbraw/zinc/95/78/52/1134957852.db2.gz VNTZCJRJVMQLFS-UHFFFAOYSA-N -1 1 296.326 3.740 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3c2CCCO3)cc1F ZINC001222082765 1135189975 /nfs/dbraw/zinc/18/99/75/1135189975.db2.gz HBYWDSDWRBTASL-UHFFFAOYSA-N -1 1 262.255 3.662 20 0 CHADMM COc1c(C)cc(C)cc1-c1cc(F)c([O-])cc1F ZINC001222082164 1135190219 /nfs/dbraw/zinc/19/02/19/1135190219.db2.gz AOUURYPSQBVTRI-UHFFFAOYSA-N -1 1 264.271 3.963 20 0 CHADMM CCCCC[C@@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225018821 1135502813 /nfs/dbraw/zinc/50/28/13/1135502813.db2.gz ILHLUUQDFOSXMD-CYBMUJFWSA-N -1 1 280.345 3.710 20 0 CHADMM CCCC[C@H](CC)Oc1cc([O-])ccc1C(C)=O ZINC001225616309 1135595578 /nfs/dbraw/zinc/59/55/78/1135595578.db2.gz IDONBXUDRVVWOR-ZDUSSCGKSA-N -1 1 250.338 3.942 20 0 CHADMM COc1cccc([C@@H](C)Oc2cc([O-])ccc2C(C)=O)c1 ZINC001225616581 1135595788 /nfs/dbraw/zinc/59/57/88/1135595788.db2.gz MJNXBXAHHUMDMK-GFCCVEGCSA-N -1 1 286.327 3.743 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2cccc(C)c21 ZINC001225677970 1135607415 /nfs/dbraw/zinc/60/74/15/1135607415.db2.gz VWVMSQOACWFGTN-OAHLLOKOSA-N -1 1 298.338 3.675 20 0 CHADMM C[C@@H](Oc1cnc[n-]c1=O)c1ccc(-c2ccccc2)cc1 ZINC001227048559 1135778504 /nfs/dbraw/zinc/77/85/04/1135778504.db2.gz GQIMSPKQNWEKJF-CYBMUJFWSA-N -1 1 292.338 3.989 20 0 CHADMM Cc1ccc([C@@H](Oc2cnc[n-]c2=O)c2ccccc2)cc1 ZINC001227049422 1135778880 /nfs/dbraw/zinc/77/88/80/1135778880.db2.gz UHDDXPNYABRVPA-KRWDZBQOSA-N -1 1 292.338 3.659 20 0 CHADMM CC[C@H](Oc1[n-]c(=O)nc(C)c1Cl)c1ccccc1F ZINC001227111982 1135786429 /nfs/dbraw/zinc/78/64/29/1135786429.db2.gz UOLBRLBCECSCGJ-NSHDSACASA-N -1 1 296.729 3.813 20 0 CHADMM CC[C@H]1CC[C@H](Oc2cc([O-])ccc2C(=O)COC)CC1 ZINC001227172078 1135794555 /nfs/dbraw/zinc/79/45/55/1135794555.db2.gz KKWJHWLHPAAORY-MQMHXKEQSA-N -1 1 292.375 3.569 20 0 CHADMM CCCC[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000576642565 335229732 /nfs/dbraw/zinc/22/97/32/335229732.db2.gz FWWDUNDFPONGHS-CYBMUJFWSA-N -1 1 287.762 3.554 20 0 CHADMM O=C(c1ccccc1[O-])N(CC1CCC1)c1ccccc1 ZINC000175398688 261226142 /nfs/dbraw/zinc/22/61/42/261226142.db2.gz CXWSQDMLWCDXJZ-UHFFFAOYSA-N -1 1 281.355 3.839 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000176090942 261264973 /nfs/dbraw/zinc/26/49/73/261264973.db2.gz SSYHWHCNUDJAMD-HZPDHXFCSA-N -1 1 295.382 3.808 20 0 CHADMM O=C([O-])[C@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 ZINC000518783075 262055357 /nfs/dbraw/zinc/05/53/57/262055357.db2.gz YENVLSMTYCAFIO-GJZGRUSLSA-N -1 1 287.384 3.711 20 0 CHADMM O=C(Nc1cccc(F)c1)c1ccc2ccccc2c1[O-] ZINC000020550816 262249692 /nfs/dbraw/zinc/24/96/92/262249692.db2.gz NAQWMNHIOFSZOD-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@H]3C=CCCC3)n2)c(Cl)c1 ZINC000436870687 262987960 /nfs/dbraw/zinc/98/79/60/262987960.db2.gz HYOXMOXXDCQHQS-JTQLQIEISA-N -1 1 290.750 3.994 20 0 CHADMM CCCn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000125761421 264070021 /nfs/dbraw/zinc/07/00/21/264070021.db2.gz UVYRDWMITVXGSN-UHFFFAOYSA-N -1 1 285.376 3.555 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093909078 265199164 /nfs/dbraw/zinc/19/91/64/265199164.db2.gz AVKXFGPTGFSXEJ-JTQLQIEISA-N -1 1 291.297 3.504 20 0 CHADMM O=C(Cc1ccc(F)cc1F)Nc1ccc([O-])c(Cl)c1 ZINC000094842273 265263181 /nfs/dbraw/zinc/26/31/81/265263181.db2.gz CTGJUKUEONNTKY-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM COc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1[O-] ZINC000357964539 266390971 /nfs/dbraw/zinc/39/09/71/266390971.db2.gz NPQNRPMGGJEGQQ-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM C[C@H]1CCCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000186444972 327916679 /nfs/dbraw/zinc/91/66/79/327916679.db2.gz PAXIVQNSDVBGCH-ZDUSSCGKSA-N -1 1 283.371 3.808 20 0 CHADMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531485899 327942183 /nfs/dbraw/zinc/94/21/83/327942183.db2.gz BYKREGKHJWJGPA-LBPRGKRZSA-N -1 1 295.404 3.536 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC000531756276 328028935 /nfs/dbraw/zinc/02/89/35/328028935.db2.gz GGMPNLMEAUSMOC-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1 ZINC000531756277 328029009 /nfs/dbraw/zinc/02/90/09/328029009.db2.gz GGMPNLMEAUSMOC-SNVBAGLBSA-N -1 1 291.297 3.803 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)cc1F ZINC000340329675 328257644 /nfs/dbraw/zinc/25/76/44/328257644.db2.gz PVZPUSCMTQVEBY-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1CC ZINC000534499397 328304815 /nfs/dbraw/zinc/30/48/15/328304815.db2.gz UMLINXWAHJAQOK-UHFFFAOYSA-N -1 1 295.429 3.674 20 0 CHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048652036 328314535 /nfs/dbraw/zinc/31/45/35/328314535.db2.gz KRZBEMQOJISGDI-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM CCC(CC)[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000534916860 328368456 /nfs/dbraw/zinc/36/84/56/328368456.db2.gz FXXROWHKOGRZJP-SECBINFHSA-N -1 1 253.317 3.542 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1cccc(F)c1 ZINC000532012584 328389364 /nfs/dbraw/zinc/38/93/64/328389364.db2.gz UDXDTHZTZOMLLJ-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000112334644 328398489 /nfs/dbraw/zinc/39/84/89/328398489.db2.gz SGYRYKZWICTCAZ-UHFFFAOYSA-N -1 1 289.400 3.748 20 0 CHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000112333928 328398530 /nfs/dbraw/zinc/39/85/30/328398530.db2.gz OJRVLEOJTZSSRQ-UHFFFAOYSA-N -1 1 289.400 3.919 20 0 CHADMM CCCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000381348313 327504607 /nfs/dbraw/zinc/50/46/07/327504607.db2.gz HGFNBAXIFVRTOX-JTQLQIEISA-N -1 1 269.772 3.696 20 0 CHADMM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc(F)cc1[O-] ZINC000532267291 328712385 /nfs/dbraw/zinc/71/23/85/328712385.db2.gz UVFJYDRXHSMKMU-GFCCVEGCSA-N -1 1 299.345 3.665 20 0 CHADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000532620829 328791799 /nfs/dbraw/zinc/79/17/99/328791799.db2.gz RPJWIWOUJADBDW-SECBINFHSA-N -1 1 293.725 3.927 20 0 CHADMM CC1CCC(CC(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000532622176 328791850 /nfs/dbraw/zinc/79/18/50/328791850.db2.gz IBCIEEVKYHWEFR-UHFFFAOYSA-N -1 1 265.328 3.686 20 0 CHADMM CCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC000184067148 329255582 /nfs/dbraw/zinc/25/55/82/329255582.db2.gz LUHGJRQHLYTGFC-UHFFFAOYSA-N -1 1 290.750 3.564 20 0 CHADMM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000425141212 329607840 /nfs/dbraw/zinc/60/78/40/329607840.db2.gz GDEPPVOWULFQBV-SMDDNHRTSA-N -1 1 299.374 3.547 20 0 CHADMM CCc1cc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445477572 330213608 /nfs/dbraw/zinc/21/36/08/330213608.db2.gz CYRBBAHHXBFLEF-UHFFFAOYSA-N -1 1 288.278 3.712 20 0 CHADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000399605227 330243806 /nfs/dbraw/zinc/24/38/06/330243806.db2.gz PCSYETNKWZOHMG-WFASDCNBSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(NC[C@H]1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000044569324 330330531 /nfs/dbraw/zinc/33/05/31/330330531.db2.gz JNANNMICRKQSNM-ZDUSSCGKSA-N -1 1 281.355 3.632 20 0 CHADMM Cc1ccsc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082193029 330353724 /nfs/dbraw/zinc/35/37/24/330353724.db2.gz OIDYPJDWPWLNCU-UHFFFAOYSA-N -1 1 267.737 3.668 20 0 CHADMM CC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCC1 ZINC000445445566 330358675 /nfs/dbraw/zinc/35/86/75/330358675.db2.gz ABODULVCTQLKCW-UHFFFAOYSA-N -1 1 278.739 3.927 20 0 CHADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000117194827 330364155 /nfs/dbraw/zinc/36/41/55/330364155.db2.gz GLCNSXSAEPXGNF-CYBMUJFWSA-N -1 1 281.783 3.696 20 0 CHADMM O=c1cc(C2CC2)nc(SCCCCC(F)(F)F)[n-]1 ZINC000436251631 330671818 /nfs/dbraw/zinc/67/18/18/330671818.db2.gz FUWVJMZGJJHTPI-UHFFFAOYSA-N -1 1 292.326 3.884 20 0 CHADMM Cc1ncc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436512624 330678818 /nfs/dbraw/zinc/67/88/18/330678818.db2.gz LKBLNXTXJGSHJM-UHFFFAOYSA-N -1 1 276.361 3.533 20 0 CHADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436509697 330678858 /nfs/dbraw/zinc/67/88/58/330678858.db2.gz FSEMTMZHFFCWHR-GHMZBOCLSA-N -1 1 281.783 3.554 20 0 CHADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436540309 330679716 /nfs/dbraw/zinc/67/97/16/330679716.db2.gz WGYSVRFYJXDAOV-BXUZGUMPSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1F ZINC000436688067 330682698 /nfs/dbraw/zinc/68/26/98/330682698.db2.gz NFUZLCZAKDIGFY-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM O=C(c1cc(Cl)ccc1[O-])N1CC(C2CCCCC2)C1 ZINC000436728183 330683790 /nfs/dbraw/zinc/68/37/90/330683790.db2.gz IPQKJRGUKFETAR-UHFFFAOYSA-N -1 1 293.794 3.698 20 0 CHADMM Cc1cc2cccnc2c(NC(=O)c2ccccc2[O-])c1 ZINC000436742500 330684066 /nfs/dbraw/zinc/68/40/66/330684066.db2.gz XOPZDMNBFPTOOA-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM C[C@@H]1CCC[C@@H]1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436874024 330687282 /nfs/dbraw/zinc/68/72/82/330687282.db2.gz PBXJYQNGXVARSH-NXEZZACHSA-N -1 1 276.311 3.560 20 0 CHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000438796648 330729329 /nfs/dbraw/zinc/72/93/29/330729329.db2.gz RIFDMXKTABBUIZ-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@@H]2C=CCCCCC2)n1 ZINC000450904526 331006179 /nfs/dbraw/zinc/00/61/79/331006179.db2.gz FSGDGFCIKXKXGU-GFCCVEGCSA-N -1 1 264.394 3.726 20 0 CHADMM CC1(C)CC=C(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456777622 331203142 /nfs/dbraw/zinc/20/31/42/331203142.db2.gz FXLWCTPDGCNLEU-UHFFFAOYSA-N -1 1 281.302 3.745 20 0 CHADMM CCC[C@](C)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456781919 331203574 /nfs/dbraw/zinc/20/35/74/331203574.db2.gz KCICZXMIUANETH-AWEZNQCLSA-N -1 1 271.307 3.825 20 0 CHADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456785587 331203951 /nfs/dbraw/zinc/20/39/51/331203951.db2.gz NNOIDGCRNOMMPM-ZJUUUORDSA-N -1 1 283.318 3.825 20 0 CHADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000164893468 331305361 /nfs/dbraw/zinc/30/53/61/331305361.db2.gz CFQIZYOXFUFCFR-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000470450733 331482782 /nfs/dbraw/zinc/48/27/82/331482782.db2.gz BHOJSKDCQXFIFR-JTQLQIEISA-N -1 1 272.373 3.913 20 0 CHADMM CC1(C)CC(CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000485656815 331919650 /nfs/dbraw/zinc/91/96/50/331919650.db2.gz KLORTRYVOYPZMB-UHFFFAOYSA-N -1 1 267.756 3.810 20 0 CHADMM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000513745129 333037196 /nfs/dbraw/zinc/03/71/96/333037196.db2.gz UZHNDTYQAOXLDG-SECBINFHSA-N -1 1 267.756 3.810 20 0 CHADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000183608129 333121241 /nfs/dbraw/zinc/12/12/41/333121241.db2.gz NONOOQFKASRHQL-DTWKUNHWSA-N -1 1 255.745 3.666 20 0 CHADMM O=C(Nc1cccc2c1CCCC2)c1ccc([O-])cc1F ZINC000226267900 333255707 /nfs/dbraw/zinc/25/57/07/333255707.db2.gz FCNNHERGIDWXMW-UHFFFAOYSA-N -1 1 285.318 3.662 20 0 CHADMM CC1(C)CCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000229009396 333300011 /nfs/dbraw/zinc/30/00/11/333300011.db2.gz MQAYIQIXRKELOO-SNVBAGLBSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007097 333518111 /nfs/dbraw/zinc/51/81/11/333518111.db2.gz WINDJJXTHPAOOH-VHSXEESVSA-N -1 1 291.347 3.643 20 0 CHADMM Cc1ccc(Cl)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000128588988 333689853 /nfs/dbraw/zinc/68/98/53/333689853.db2.gz NNGJADMYEYMAJL-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM C[C@H](c1ccccc1F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000132893167 334009457 /nfs/dbraw/zinc/00/94/57/334009457.db2.gz HDCJJILJOHAYLX-SNVBAGLBSA-N -1 1 291.297 3.504 20 0 CHADMM CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000079053018 334146560 /nfs/dbraw/zinc/14/65/60/334146560.db2.gz UAFATTOKZGQPCK-NSHDSACASA-N -1 1 281.783 3.698 20 0 CHADMM CCc1nc(SC[C@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000567628067 334742306 /nfs/dbraw/zinc/74/23/06/334742306.db2.gz IQPFUSSNPBXSFB-SECBINFHSA-N -1 1 288.363 3.581 20 0 CHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000156564723 334744320 /nfs/dbraw/zinc/74/43/20/334744320.db2.gz GYDNXIJVTGHUMD-UHFFFAOYSA-N -1 1 296.248 3.530 20 0 CHADMM CO[C@@H](C)c1nc(=N[C@@H]2CCCCC23CCCC3)s[n-]1 ZINC000383777769 336117658 /nfs/dbraw/zinc/11/76/58/336117658.db2.gz SNGYBFDYBQPTDE-NWDGAFQWSA-N -1 1 295.452 3.582 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(Cl)s2)no1 ZINC000384616964 336127875 /nfs/dbraw/zinc/12/78/75/336127875.db2.gz ZHSOCLUOIIYCHV-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM O=C(Nc1cccc2ccsc21)c1ccccc1[O-] ZINC000386383764 336171890 /nfs/dbraw/zinc/17/18/90/336171890.db2.gz DUGNGUIUSHTSAU-UHFFFAOYSA-N -1 1 269.325 3.859 20 0 CHADMM CC(C)(C)SCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278332208 518912459 /nfs/dbraw/zinc/91/24/59/518912459.db2.gz ZTBGUNSLZAHBQC-UHFFFAOYSA-N -1 1 282.340 3.613 20 0 CHADMM CCCc1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000293525939 521492105 /nfs/dbraw/zinc/49/21/05/521492105.db2.gz ZJQUPCHYRBJDOL-UHFFFAOYSA-N -1 1 294.738 3.547 20 0 CHADMM Cc1cccc2c(CC(=O)Nc3ccc(F)cc3[O-])c[nH]c21 ZINC000340331871 524933020 /nfs/dbraw/zinc/93/30/20/524933020.db2.gz CNSVXIBBAFBBMH-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc([O-])c1Cl ZINC000293119832 525621315 /nfs/dbraw/zinc/62/13/15/525621315.db2.gz ZCGXJPYFPFGAQJ-MGPLVRAMSA-N -1 1 289.762 3.657 20 0 CHADMM Cc1ccoc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000277342531 525807567 /nfs/dbraw/zinc/80/75/67/525807567.db2.gz OZDHHMOROSNRLC-CYBMUJFWSA-N -1 1 293.750 3.547 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(C)(F)F ZINC000293094739 526169813 /nfs/dbraw/zinc/16/98/13/526169813.db2.gz FJUGONHUQDPWML-ZCFIWIBFSA-N -1 1 288.681 3.854 20 0 CHADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000055482045 526260993 /nfs/dbraw/zinc/26/09/93/526260993.db2.gz WLDOLGJRGSKTAW-GXFFZTMASA-N -1 1 281.783 3.696 20 0 CHADMM O=C([O-])c1cccc(C[N@H+]2CCCC[C@@H]2c2ccco2)c1 ZINC000740221550 600218564 /nfs/dbraw/zinc/21/85/64/600218564.db2.gz QONVYXYRDWTOIY-OAHLLOKOSA-N -1 1 285.343 3.705 20 0 CHADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1cccc(C(=O)[O-])c1 ZINC000736840327 600441669 /nfs/dbraw/zinc/44/16/69/600441669.db2.gz MAXGAVNEPCUMOS-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM CC[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736949961 600448439 /nfs/dbraw/zinc/44/84/39/600448439.db2.gz LXBCYLLYTITQQQ-KRWDZBQOSA-N -1 1 299.370 3.796 20 0 CHADMM C[C@@H]1c2ccccc2CN1[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000828527799 601117046 /nfs/dbraw/zinc/11/70/46/601117046.db2.gz PCWVAQHQAUEWFP-BDJLRTHQSA-N -1 1 285.318 3.528 20 0 CHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000828455979 601615100 /nfs/dbraw/zinc/61/51/00/601615100.db2.gz HOBNBZPMTCKLIU-GFCCVEGCSA-N -1 1 299.345 3.643 20 0 CHADMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000110955731 601804121 /nfs/dbraw/zinc/80/41/21/601804121.db2.gz ANWZQGZMICYVLQ-UHFFFAOYSA-N -1 1 295.791 3.732 20 0 CHADMM CCc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000833669856 604645329 /nfs/dbraw/zinc/64/53/29/604645329.db2.gz HHHCWPAPBWLHLP-OAHLLOKOSA-N -1 1 289.400 3.568 20 0 CHADMM C[C@@H](c1ccc(F)cc1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833547214 604847641 /nfs/dbraw/zinc/84/76/41/604847641.db2.gz BHZXHJMNNMCWQJ-LBPRGKRZSA-N -1 1 299.345 3.643 20 0 CHADMM CC(C)(NCc1occc1C(=O)[O-])c1cccc(Cl)c1 ZINC000833460326 605141221 /nfs/dbraw/zinc/14/12/21/605141221.db2.gz BRJPFWAPBBBOJJ-UHFFFAOYSA-N -1 1 293.750 3.656 20 0 CHADMM CCCC[C@H](CCC)NC(=O)c1c(F)ccc([O-])c1F ZINC000450105446 728641376 /nfs/dbraw/zinc/64/13/76/728641376.db2.gz OVASSQJRMCVJBU-JTQLQIEISA-N -1 1 285.334 3.759 20 0 CHADMM C[C@@H](CC(C)(C)CC(=O)[O-])NCC(F)(F)C(C)(C)C ZINC000902469905 980901967 /nfs/dbraw/zinc/90/19/67/980901967.db2.gz CJTAIHRVWXAYPW-JTQLQIEISA-N -1 1 279.371 3.537 20 0 CHADMM CC(C)C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000043432576 957431379 /nfs/dbraw/zinc/43/13/79/957431379.db2.gz HWVYKMCIDDWVRX-DGCLKSJQSA-N -1 1 275.348 3.583 20 0 CHADMM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000122799287 958488165 /nfs/dbraw/zinc/48/81/65/958488165.db2.gz OVTATECWTFJJDG-NSHDSACASA-N -1 1 299.773 3.556 20 0 CHADMM Cc1oc(CN(C)Cc2ccccc2C2CC2)cc1C(=O)[O-] ZINC001327199593 961146292 /nfs/dbraw/zinc/14/62/92/961146292.db2.gz XSAHPQYEEOEFQA-UHFFFAOYSA-N -1 1 299.370 3.796 20 0 CHADMM CCN(Cc1cc(Cl)sc1Cl)C(C)(C)C(=O)[O-] ZINC000308352477 963269459 /nfs/dbraw/zinc/26/94/59/963269459.db2.gz DSRIMCSBLXGEAX-UHFFFAOYSA-N -1 1 296.219 3.740 20 0 CHADMM CCOc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC000144189767 1118138777 /nfs/dbraw/zinc/13/87/77/1118138777.db2.gz KEQOSSDLSMANBE-UHFFFAOYSA-N -1 1 250.244 3.736 20 0 CHADMM CC(C)c1[nH]c(CN2CC(C)(C)[C@@H]2C(C)C)cc1C(=O)[O-] ZINC001591910657 976324982 /nfs/dbraw/zinc/32/49/82/976324982.db2.gz LKEAOJRRRILGHJ-HNNXBMFYSA-N -1 1 292.423 3.703 20 0 CHADMM C[C@@H](c1ccco1)N(Cc1cc(C(=O)[O-])cs1)C1CC1 ZINC000872156879 980039322 /nfs/dbraw/zinc/03/93/22/980039322.db2.gz IZEQJAMDBIHTLF-JTQLQIEISA-N -1 1 291.372 3.765 20 0 CHADMM CC[C@H](NCc1occc1C(=O)[O-])c1ccc(Cl)s1 ZINC001595306337 980457698 /nfs/dbraw/zinc/45/76/98/980457698.db2.gz ZXDPKFSLLMKBRF-VIFPVBQESA-N -1 1 299.779 3.934 20 0 CHADMM Cc1cc(C)c(/C=C/CNCc2cc(C(=O)[O-])co2)cc1C ZINC000901951802 980647650 /nfs/dbraw/zinc/64/76/50/980647650.db2.gz FOEUBOZKIJBWRW-SNAWJCMRSA-N -1 1 299.370 3.706 20 0 CHADMM CCc1oc(CN[C@H]2CCc3cc(C)ccc32)cc1C(=O)[O-] ZINC000902171965 980767531 /nfs/dbraw/zinc/76/75/31/980767531.db2.gz AWPAPUIGZPHDAS-INIZCTEOSA-N -1 1 299.370 3.626 20 0 CHADMM Cc1cc(CN[C@H](C)c2ccc(F)cc2C)oc1C(=O)[O-] ZINC000905726658 981125399 /nfs/dbraw/zinc/12/53/99/981125399.db2.gz DZTXIIAJOGIIAQ-LLVKDONJSA-N -1 1 291.322 3.585 20 0 CHADMM C/C(=C/c1ccccc1)CN[C@H](C(=O)[O-])c1cccs1 ZINC001589003503 984953150 /nfs/dbraw/zinc/95/31/50/984953150.db2.gz BZRBKCIVEJYEDQ-WQTVUKCASA-N -1 1 287.384 3.567 20 0 CHADMM C/C(=C/c1ccccc1)CN(C)Cc1occc1C(=O)[O-] ZINC001589003902 984957906 /nfs/dbraw/zinc/95/79/06/984957906.db2.gz PUOKKGJVNRPIKJ-RAXLEYEMSA-N -1 1 285.343 3.513 20 0 CHADMM C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210854 994255515 /nfs/dbraw/zinc/25/55/15/994255515.db2.gz TXZQMNLDMAMQHW-BDJLRTHQSA-N -1 1 285.343 3.780 20 0 CHADMM C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210859 994255891 /nfs/dbraw/zinc/25/58/91/994255891.db2.gz TXZQMNLDMAMQHW-ZBEGNZNMSA-N -1 1 285.343 3.780 20 0 CHADMM C[C@H](NCc1cccc(C(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593303741 994737683 /nfs/dbraw/zinc/73/76/83/994737683.db2.gz FGZDYXFNAJGXJH-VIFPVBQESA-N -1 1 295.285 3.766 20 0 CHADMM [O-]c1ccc(-c2cccnc2F)cc1C(F)(F)F ZINC001250483245 1122654121 /nfs/dbraw/zinc/65/41/21/1122654121.db2.gz JOLOIRRNSKNAHK-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675861 1123480170 /nfs/dbraw/zinc/48/01/70/1123480170.db2.gz CVJJGERAUDRMLH-DTWKUNHWSA-N -1 1 285.746 3.950 20 0 CHADMM CNc1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)n1 ZINC001203358049 1133316861 /nfs/dbraw/zinc/31/68/61/1133316861.db2.gz FSNZWNVPVIIGRI-UHFFFAOYSA-N -1 1 285.681 3.504 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(F)ncc2F)cc1Cl ZINC001214486593 1134543752 /nfs/dbraw/zinc/54/37/52/1134543752.db2.gz OMJQTHMEOXQANH-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM Cc1cccc(NC(=O)Nc2c(F)cc([O-])cc2F)c1C ZINC001202704715 1125521396 /nfs/dbraw/zinc/52/13/96/1125521396.db2.gz ASWOOKGODDVKKD-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@]12C[C@@H]1CCCC2 ZINC000885680682 1125620798 /nfs/dbraw/zinc/62/07/98/1125620798.db2.gz VYWLFKFAIDMKAJ-RTHLEPHNSA-N -1 1 283.730 3.704 20 0 CHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000885680792 1125621089 /nfs/dbraw/zinc/62/10/89/1125621089.db2.gz ZIDQAHQJBHWJRR-HLTSFMKQSA-N -1 1 283.730 3.559 20 0 CHADMM Cn1c(Nc2c([O-])cc(F)cc2F)cc2ccccc21 ZINC001212046712 1125664192 /nfs/dbraw/zinc/66/41/92/1125664192.db2.gz CNXDKBZPJBICFL-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(CCO)cc1 ZINC001212929856 1129401811 /nfs/dbraw/zinc/40/18/11/1129401811.db2.gz RFNWGZHQCLRDHY-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000162543873 1126778950 /nfs/dbraw/zinc/77/89/50/1126778950.db2.gz BVTNTHYZFLAUIG-CYBMUJFWSA-N -1 1 299.773 3.698 20 0 CHADMM CSc1ccc([O-])c(-c2nc(Cc3ccccc3)no2)c1 ZINC000904319194 1126845030 /nfs/dbraw/zinc/84/50/30/1126845030.db2.gz LJHWTFTZWKMKLA-UHFFFAOYSA-N -1 1 298.367 3.755 20 0 CHADMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000485077534 1126883302 /nfs/dbraw/zinc/88/33/02/1126883302.db2.gz JKOQDASSKQTZEH-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM C[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000183924483 1126893270 /nfs/dbraw/zinc/89/32/70/1126893270.db2.gz GJAUKKSNJKVMKK-LBPRGKRZSA-N -1 1 297.354 3.642 20 0 CHADMM Cc1oc(CN[C@H](C)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000905730569 1126913749 /nfs/dbraw/zinc/91/37/49/1126913749.db2.gz ZNMKUGJFMWBESO-SNVBAGLBSA-N -1 1 291.322 3.585 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1c(F)cccc1F ZINC000906275275 1126943096 /nfs/dbraw/zinc/94/30/96/1126943096.db2.gz UDJSPJAODFPKCE-UHFFFAOYSA-N -1 1 280.274 3.637 20 0 CHADMM C[C@@H](CC(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908716156 1127012914 /nfs/dbraw/zinc/01/29/14/1127012914.db2.gz FGCNSKJOTPVJFD-QMMMGPOBSA-N -1 1 298.180 3.529 20 0 CHADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C1CCCC1 ZINC000909984425 1127041815 /nfs/dbraw/zinc/04/18/15/1127041815.db2.gz NQTQOMQNQHJYDJ-UHFFFAOYSA-N -1 1 283.318 3.825 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC=CCCC1 ZINC000909970997 1127042046 /nfs/dbraw/zinc/04/20/46/1127042046.db2.gz BXUZSGMMMYDOCU-JTQLQIEISA-N -1 1 281.302 3.745 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1cccn1C1CCCC1 ZINC000352407514 1127229478 /nfs/dbraw/zinc/22/94/78/1127229478.db2.gz UYYHFWOKEFWGOR-UHFFFAOYSA-N -1 1 288.322 3.700 20 0 CHADMM C[C@@]1(F)CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238142890 1131174624 /nfs/dbraw/zinc/17/46/24/1131174624.db2.gz IZPPFOORRGDKRW-CQSZACIVSA-N -1 1 289.753 3.899 20 0 CHADMM C[C@H](c1cccnc1)N(C)Cc1cccc([O-])c1Cl ZINC000293765258 1127518789 /nfs/dbraw/zinc/51/87/89/1127518789.db2.gz ZKLYMHDGWMLATD-LLVKDONJSA-N -1 1 276.767 3.634 20 0 CHADMM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)sn1 ZINC000362179613 1127617170 /nfs/dbraw/zinc/61/71/70/1127617170.db2.gz GNFUSTTUSROSKA-UHFFFAOYSA-N -1 1 296.392 3.955 20 0 CHADMM C[C@@]1(F)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000295571708 1127647092 /nfs/dbraw/zinc/64/70/92/1127647092.db2.gz MJWFMPPWKXQQDR-QGZVFWFLSA-N -1 1 287.334 3.510 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC12CCC2 ZINC000366782594 1127748131 /nfs/dbraw/zinc/74/81/31/1127748131.db2.gz WVLVKVWFGUCGFT-UHFFFAOYSA-N -1 1 281.355 3.704 20 0 CHADMM CCn1nc(C)c([N-]c2nc3cc(C)ccc3o2)c1C ZINC000608091423 1127848392 /nfs/dbraw/zinc/84/83/92/1127848392.db2.gz ORFKVJPACVOELK-UHFFFAOYSA-N -1 1 270.336 3.713 20 0 CHADMM Cc1cccc2c(CC(=O)Nc3c([O-])cccc3F)c[nH]c21 ZINC000608366791 1127862559 /nfs/dbraw/zinc/86/25/59/1127862559.db2.gz YYMJBBKYZHIGBN-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM CC(C)(C)c1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608365402 1127862678 /nfs/dbraw/zinc/86/26/78/1127862678.db2.gz JCZNXWZZGDGZLF-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1coc2ccccc12 ZINC000608367062 1127863069 /nfs/dbraw/zinc/86/30/69/1127863069.db2.gz SLAQRGVHXLKGAC-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM CC(C)(C)c1nc(C(=O)Nc2c([O-])cccc2F)cs1 ZINC000608365761 1127863158 /nfs/dbraw/zinc/86/31/58/1127863158.db2.gz QMZMJVSLDURBCD-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000412765549 1127925298 /nfs/dbraw/zinc/92/52/98/1127925298.db2.gz NQWXZEMQUXXZIP-GFCCVEGCSA-N -1 1 283.371 3.806 20 0 CHADMM CCN(Cc1occc1C)C(=O)c1cc(Cl)ccc1[O-] ZINC000412794300 1127927249 /nfs/dbraw/zinc/92/72/49/1127927249.db2.gz JFWPFNFFCBEYOU-UHFFFAOYSA-N -1 1 293.750 3.609 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CC=CC12CCCCC2 ZINC001168437999 1128023065 /nfs/dbraw/zinc/02/30/65/1128023065.db2.gz SZWCVMRIHBEMTP-UHFFFAOYSA-N -1 1 291.778 3.761 20 0 CHADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000626227903 1128112330 /nfs/dbraw/zinc/11/23/30/1128112330.db2.gz OXANYSUFCBKGJB-LURJTMIESA-N -1 1 281.661 3.573 20 0 CHADMM CC(=Cc1ccc(Cl)cc1)C=C1SC(=S)[N-]C1=O ZINC000152592262 1128141386 /nfs/dbraw/zinc/14/13/86/1128141386.db2.gz VEOPEWMMQZNUAC-FAWHLJIPSA-N -1 1 295.816 3.775 20 0 CHADMM O=C(Nc1cccc(SC(F)F)c1)c1ccccc1[O-] ZINC000690180251 1128188973 /nfs/dbraw/zinc/18/89/73/1128188973.db2.gz GJMJEKRTJRAIFW-UHFFFAOYSA-N -1 1 295.310 3.959 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000928789656 1128249878 /nfs/dbraw/zinc/24/98/78/1128249878.db2.gz OEEUCVKJDBKNLQ-UHFFFAOYSA-N -1 1 268.700 3.605 20 0 CHADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000762794629 1128318516 /nfs/dbraw/zinc/31/85/16/1128318516.db2.gz RATOUFYARSJPEX-LUAWRHEFSA-N -1 1 299.374 3.713 20 0 CHADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000088302028 1128436075 /nfs/dbraw/zinc/43/60/75/1128436075.db2.gz MZTZIYOKKOXHPH-UWVGGRQHSA-N -1 1 269.772 3.600 20 0 CHADMM C[C@H](C1CC1)N(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000127549403 1128479371 /nfs/dbraw/zinc/47/93/71/1128479371.db2.gz YIRNCBKKMFKYOR-GFCCVEGCSA-N -1 1 295.382 3.949 20 0 CHADMM CCc1nc(SCc2ccc(C)cc2C)[n-]c(=O)c1C ZINC000563735857 1128476871 /nfs/dbraw/zinc/47/68/71/1128476871.db2.gz ZQSTVLFECUOLHK-UHFFFAOYSA-N -1 1 288.416 3.962 20 0 CHADMM C[C@H](CC1CCCCC1)NC(=O)c1c(F)ccc([O-])c1F ZINC000565920353 1128534862 /nfs/dbraw/zinc/53/48/62/1128534862.db2.gz WYNRRIWBPSYCHC-SNVBAGLBSA-N -1 1 297.345 3.759 20 0 CHADMM CC1CCC(C)(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000569172395 1128600768 /nfs/dbraw/zinc/60/07/68/1128600768.db2.gz LAEWDGMXDXVKCY-UHFFFAOYSA-N -1 1 297.345 3.617 20 0 CHADMM C/C(=C\c1ccc(C)cc1)C(=O)Nc1c([O-])cccc1F ZINC000778942545 1128671047 /nfs/dbraw/zinc/67/10/47/1128671047.db2.gz JJJHRUYTDUDTBG-ZRDIBKRKSA-N -1 1 285.318 3.882 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2cnc(C(C)C)nc2)c([O-])c1 ZINC000622576217 1117747052 /nfs/dbraw/zinc/74/70/52/1117747052.db2.gz UONCALKSYUESFH-UHFFFAOYSA-N -1 1 299.374 3.681 20 0 CHADMM Cc1ncccc1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000622625206 1117750250 /nfs/dbraw/zinc/75/02/50/1117750250.db2.gz RQMUUECDXLKUDV-UHFFFAOYSA-N -1 1 292.338 3.525 20 0 CHADMM CCC(CC)CN(CC)C(=O)c1c([O-])cccc1Cl ZINC000763819078 1117813046 /nfs/dbraw/zinc/81/30/46/1117813046.db2.gz FSHXRMQBEHIZBU-UHFFFAOYSA-N -1 1 283.799 3.944 20 0 CHADMM Cc1ccc2nc(-c3c(F)ccc(C)c3[O-])ccc2n1 ZINC001236394336 1128746091 /nfs/dbraw/zinc/74/60/91/1128746091.db2.gz WOALCYMYLSURCY-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM O=C([N-]c1cnoc1)c1sc2cc(F)ccc2c1Cl ZINC000623942982 1117959361 /nfs/dbraw/zinc/95/93/61/1117959361.db2.gz AKAZJHIIFFXMJG-UHFFFAOYSA-N -1 1 296.710 3.934 20 0 CHADMM O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1[O-] ZINC000031245382 1118221978 /nfs/dbraw/zinc/22/19/78/1118221978.db2.gz SSMHEBDQCBZFOE-UHFFFAOYSA-N -1 1 297.354 3.966 20 0 CHADMM COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)c(F)c1 ZINC000065343532 1118245478 /nfs/dbraw/zinc/24/54/78/1118245478.db2.gz WARMWROHEVPBAK-UHFFFAOYSA-N -1 1 280.682 3.638 20 0 CHADMM COc1c(F)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001210410630 1118276797 /nfs/dbraw/zinc/27/67/97/1118276797.db2.gz CZVIKAHXQUAPHP-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cc1nc(S[C@@H]2CCc3ccccc32)[n-]c(=O)c1C ZINC000683739595 1118324834 /nfs/dbraw/zinc/32/48/34/1118324834.db2.gz XRGHIKIZXHVITL-CYBMUJFWSA-N -1 1 272.373 3.579 20 0 CHADMM C[C@H](O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001210647847 1118358540 /nfs/dbraw/zinc/35/85/40/1118358540.db2.gz AAIQBIOPFJODCD-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cnc2sccc2c1 ZINC001210692466 1118367135 /nfs/dbraw/zinc/36/71/35/1118367135.db2.gz BXMYSELFGQTSKU-UHFFFAOYSA-N -1 1 277.736 3.794 20 0 CHADMM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000112118976 1118391893 /nfs/dbraw/zinc/39/18/93/1118391893.db2.gz CMGAXHRGJYXBPC-LLVKDONJSA-N -1 1 289.762 3.863 20 0 CHADMM CSc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001211108802 1118465818 /nfs/dbraw/zinc/46/58/18/1118465818.db2.gz OLOXMRTVMAFCGM-UHFFFAOYSA-N -1 1 291.307 3.934 20 0 CHADMM CC(=O)c1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001215576344 1118529518 /nfs/dbraw/zinc/52/95/18/1118529518.db2.gz WMSWIXSLLSESHP-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(F)(F)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444910 1118538035 /nfs/dbraw/zinc/53/80/35/1118538035.db2.gz PFOILJNZJFMXAL-UHFFFAOYSA-N -1 1 285.677 3.793 20 0 CHADMM CC(C)C1(C)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000779224829 1128790280 /nfs/dbraw/zinc/79/02/80/1128790280.db2.gz IGNLTDQDOGPFNL-UHFFFAOYSA-N -1 1 295.810 3.944 20 0 CHADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1Cl ZINC000656763113 1118651852 /nfs/dbraw/zinc/65/18/52/1118651852.db2.gz LEEJSFPTYPQWPW-NSHDSACASA-N -1 1 299.773 3.610 20 0 CHADMM CN(C(=O)c1ccc(F)c([O-])c1)C1CCCCCCC1 ZINC001143431591 1118974164 /nfs/dbraw/zinc/97/41/64/1118974164.db2.gz PDXDGWUHUAJAEC-UHFFFAOYSA-N -1 1 279.355 3.716 20 0 CHADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684869683 1119078649 /nfs/dbraw/zinc/07/86/49/1119078649.db2.gz XPRTTYSSUUUHCO-UHFFFAOYSA-N -1 1 295.260 3.688 20 0 CHADMM CCN(CC(C)C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871809 1119081763 /nfs/dbraw/zinc/08/17/63/1119081763.db2.gz UPGFNSDBHFZMTI-UHFFFAOYSA-N -1 1 289.297 3.529 20 0 CHADMM CCC(C)(CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874107 1119082216 /nfs/dbraw/zinc/08/22/16/1119082216.db2.gz LFZVVLXORAGPBH-UHFFFAOYSA-N -1 1 289.297 3.720 20 0 CHADMM CC(C)(C)C(F)(F)CNCc1cccc([O-])c1Cl ZINC000657794642 1119413479 /nfs/dbraw/zinc/41/34/79/1119413479.db2.gz ZFVSWNCPRRMUHV-UHFFFAOYSA-N -1 1 277.742 3.817 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000158818176 1119472148 /nfs/dbraw/zinc/47/21/48/1119472148.db2.gz KQEQZBXORXCZIV-UHFFFAOYSA-N -1 1 279.413 3.531 20 0 CHADMM CCC(C)(C)[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617572305 1128849232 /nfs/dbraw/zinc/84/92/32/1128849232.db2.gz FTFNSYWPSLVJOF-SECBINFHSA-N -1 1 299.798 3.609 20 0 CHADMM C[C@]1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC=CCC1 ZINC000655455931 1119570346 /nfs/dbraw/zinc/57/03/46/1119570346.db2.gz YCJBQEPTCGTERX-AWEZNQCLSA-N -1 1 299.292 3.640 20 0 CHADMM C[C@@]1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC=CCC1 ZINC000655455932 1119570680 /nfs/dbraw/zinc/57/06/80/1119570680.db2.gz YCJBQEPTCGTERX-CQSZACIVSA-N -1 1 299.292 3.640 20 0 CHADMM COCCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232722 1119755540 /nfs/dbraw/zinc/75/55/40/1119755540.db2.gz LJBLHOPAJDNJQN-UHFFFAOYSA-N -1 1 293.750 3.564 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(O)ccc1Cl ZINC000236558448 1119945694 /nfs/dbraw/zinc/94/56/94/1119945694.db2.gz UKIKSGWEWWQRDR-UHFFFAOYSA-N -1 1 298.125 3.657 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC000169081315 1120017820 /nfs/dbraw/zinc/01/78/20/1120017820.db2.gz ALCXSBWDVDYCEU-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(C(F)(F)F)ccn1 ZINC000715710475 1120239209 /nfs/dbraw/zinc/23/92/09/1120239209.db2.gz ZOUWPGLTMCINGZ-UHFFFAOYSA-N -1 1 257.186 3.612 20 0 CHADMM Cn1ccc2cc(Nc3cc(F)c([O-])c(Cl)c3)cnc21 ZINC001214480492 1120240353 /nfs/dbraw/zinc/24/03/53/1120240353.db2.gz SJMVFOPBWKFHMH-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM O=C(CCc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111668203 1120266366 /nfs/dbraw/zinc/26/63/66/1120266366.db2.gz QMNIKSMQOUTCCT-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM C[C@H](O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486479 1120278864 /nfs/dbraw/zinc/27/88/64/1120278864.db2.gz JREFDOCEVKLSTG-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM Oc1cccc(CN2CC3CCC2CC3)c1Br ZINC000315963233 1120318465 /nfs/dbraw/zinc/31/84/65/1120318465.db2.gz WEYRTEAKKVCVDH-UHFFFAOYSA-N -1 1 296.208 3.529 20 0 CHADMM Cc1ccc2oc(-c3nc4cccc(C)c4c(=O)[n-]3)cc2c1 ZINC000478239292 1120380273 /nfs/dbraw/zinc/38/02/73/1120380273.db2.gz QCEHQJVBIVVXNA-UHFFFAOYSA-N -1 1 290.322 3.953 20 0 CHADMM CCS[C@@H](C)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000601368426 1120446432 /nfs/dbraw/zinc/44/64/32/1120446432.db2.gz TWCCAODDYPENBU-QMMMGPOBSA-N -1 1 298.795 3.834 20 0 CHADMM C[C@@H]([C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-])C1CC1 ZINC000417634313 1120466850 /nfs/dbraw/zinc/46/68/50/1120466850.db2.gz CFQXGKRPQAEZMD-PXAZEXFGSA-N -1 1 299.370 3.536 20 0 CHADMM O=C(Nc1ccccc1OC(F)(F)F)c1ccccc1[O-] ZINC000019838624 1120529753 /nfs/dbraw/zinc/52/97/53/1120529753.db2.gz GRHTWSIGWIHOSW-UHFFFAOYSA-N -1 1 297.232 3.543 20 0 CHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000047367384 1120648134 /nfs/dbraw/zinc/64/81/34/1120648134.db2.gz GZMDBAIAEFUGPP-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM O=C(Nc1cc(F)cc(Cl)c1)c1cc(F)ccc1[O-] ZINC000230022075 1120665820 /nfs/dbraw/zinc/66/58/20/1120665820.db2.gz TZLCYGGUBVHQRU-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM CCc1c(C(C)C)[n-]n([C@H](C)c2ccccc2)c1=O ZINC000634599112 1128934927 /nfs/dbraw/zinc/93/49/27/1128934927.db2.gz APZFRZZCKVUBKC-TZMCWYRMSA-N -1 1 258.365 3.628 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000184199601 1120795811 /nfs/dbraw/zinc/79/58/11/1120795811.db2.gz XNRVZWRZSAIGFA-SNVBAGLBSA-N 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XMLAECCUUFWJGG-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000124060814 1121112879 /nfs/dbraw/zinc/11/28/79/1121112879.db2.gz OQPQNIJQRMKKQJ-GFCCVEGCSA-N -1 1 293.382 3.820 20 0 CHADMM Cc1nonc1[N-]c1ccc(-c2ccccc2)cc1F ZINC001175061076 1121146191 /nfs/dbraw/zinc/14/61/91/1121146191.db2.gz JZMPBSXZDNLNRO-UHFFFAOYSA-N -1 1 269.279 3.928 20 0 CHADMM CC(F)(F)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000187375714 1121181493 /nfs/dbraw/zinc/18/14/93/1121181493.db2.gz DRPUKWDYSKBUOS-UHFFFAOYSA-N -1 1 277.270 3.756 20 0 CHADMM CC(=O)c1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175096555 1121183989 /nfs/dbraw/zinc/18/39/89/1121183989.db2.gz DAYSUMMYUNAEPT-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175096595 1121184770 /nfs/dbraw/zinc/18/47/70/1121184770.db2.gz DRXUNZFHFBZKNF-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM COc1cc(Nc2c([O-])cc(F)cc2F)ccc1F ZINC001175396720 1121292021 /nfs/dbraw/zinc/29/20/21/1121292021.db2.gz JWQDYXMMWOXPDR-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM COc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC001175390496 1121309916 /nfs/dbraw/zinc/30/99/16/1121309916.db2.gz AEFJVRDHDOXFCM-UHFFFAOYSA-N -1 1 291.159 3.908 20 0 CHADMM Cc1nc(SCc2ccccc2F)[n-]c(=O)c1C1CC1 ZINC000631024190 1128978810 /nfs/dbraw/zinc/97/88/10/1128978810.db2.gz NONPAAXXYPIOCR-UHFFFAOYSA-N -1 1 290.363 3.799 20 0 CHADMM Cc1nc(SC2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000631023485 1128978870 /nfs/dbraw/zinc/97/88/70/1128978870.db2.gz SVTJHLBZIKCJCN-UHFFFAOYSA-N -1 1 264.394 3.793 20 0 CHADMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1C1CC1 ZINC000631028585 1128979037 /nfs/dbraw/zinc/97/90/37/1128979037.db2.gz KMQMSILFWARWHC-UHFFFAOYSA-N -1 1 272.373 3.660 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])cc2F)cc2c[nH]nc21 ZINC001175519380 1121359146 /nfs/dbraw/zinc/35/91/46/1121359146.db2.gz GUBXVZAGIYAHFI-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2ccc(CO)cc2)c1Cl ZINC001175567581 1121390486 /nfs/dbraw/zinc/39/04/86/1121390486.db2.gz PIFAJNBQOQVVPF-UHFFFAOYSA-N -1 1 284.142 3.935 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(Cl)c1 ZINC000676050902 1121402356 /nfs/dbraw/zinc/40/23/56/1121402356.db2.gz FKTGHEBXNMBYBB-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM Cc1n[nH]c2cc(Nc3c([O-])cc(F)cc3F)ccc12 ZINC001175661387 1121424347 /nfs/dbraw/zinc/42/43/47/1121424347.db2.gz JGAOTMGFQSAEHT-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1cscc1[N-]c1nc(C(C)(C)C)ns1 ZINC001175765358 1121458051 /nfs/dbraw/zinc/45/80/51/1121458051.db2.gz BEHMRTBRDXIDEO-UHFFFAOYSA-N -1 1 253.396 3.949 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(F)cn1 ZINC001175850321 1121480672 /nfs/dbraw/zinc/48/06/72/1121480672.db2.gz HAICSYQULJAJES-UHFFFAOYSA-N -1 1 273.094 3.977 20 0 CHADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cnn(C2CC2)c1 ZINC001175961949 1121504091 /nfs/dbraw/zinc/50/40/91/1121504091.db2.gz DEKRFXVOQKNBHP-UHFFFAOYSA-N -1 1 284.146 3.974 20 0 CHADMM CCCc1c(C)[n-]n(-c2ccc(Br)cc2)c1=O ZINC000614185812 1121514081 /nfs/dbraw/zinc/51/40/81/1121514081.db2.gz RKFJFWZBJUDCDT-LBPRGKRZSA-N -1 1 295.180 3.588 20 0 CHADMM COc1ccncc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001176122619 1121558412 /nfs/dbraw/zinc/55/84/12/1121558412.db2.gz DNHQCLQUIUIECR-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM Cc1noc(C)c1Nc1cc([O-])c(Cl)cc1F ZINC001176179653 1121564970 /nfs/dbraw/zinc/56/49/70/1121564970.db2.gz HTZKELUAPCBIPW-UHFFFAOYSA-N -1 1 256.664 3.533 20 0 CHADMM CSc1ccc(NCc2cccc([O-])c2Cl)cn1 ZINC000645166854 1121599158 /nfs/dbraw/zinc/59/91/58/1121599158.db2.gz ATPPHIHTOLZMTQ-UHFFFAOYSA-N -1 1 280.780 3.775 20 0 CHADMM CSc1nc(Nc2ccc3cc(O)ccc3c2)cc(=O)[n-]1 ZINC001176386274 1121609011 /nfs/dbraw/zinc/60/90/11/1121609011.db2.gz JDDAKNGHMOOCLA-UHFFFAOYSA-N -1 1 299.355 3.507 20 0 CHADMM O=C(OCc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000773570712 1121613578 /nfs/dbraw/zinc/61/35/78/1121613578.db2.gz AHOKQJWLZGWAKX-UHFFFAOYSA-N -1 1 280.682 3.542 20 0 CHADMM [O-]c1cc(Nc2ccc(O)cc2F)c(F)cc1Cl ZINC001176414245 1121628250 /nfs/dbraw/zinc/62/82/50/1121628250.db2.gz XZXYCKWKHMCHPR-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM Cc1ccnc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663826 1121670973 /nfs/dbraw/zinc/67/09/73/1121670973.db2.gz JIVOUJYYRXWIAQ-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM Cc1cc2cc(N)ccc2n1-c1c(F)cc(F)c([O-])c1F ZINC001176669005 1121671723 /nfs/dbraw/zinc/67/17/23/1121671723.db2.gz BKVIGQGIUJORFY-UHFFFAOYSA-N -1 1 292.260 3.644 20 0 CHADMM CC(C)Oc1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664640 1121672196 /nfs/dbraw/zinc/67/21/96/1121672196.db2.gz VVTPKHAQLVFWCR-UHFFFAOYSA-N -1 1 298.264 3.735 20 0 CHADMM CCc1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664553 1121672209 /nfs/dbraw/zinc/67/22/09/1121672209.db2.gz PJQRIIVEQSQTRA-UHFFFAOYSA-N -1 1 268.238 3.511 20 0 CHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)C ZINC001164394353 1121685194 /nfs/dbraw/zinc/68/51/94/1121685194.db2.gz SZXDKKZYMMBCCA-MRVPVSSYSA-N -1 1 289.297 3.575 20 0 CHADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1cccs1 ZINC001176987675 1121703607 /nfs/dbraw/zinc/70/36/07/1121703607.db2.gz BJPODJZRYHATPE-VIFPVBQESA-N -1 1 295.791 3.527 20 0 CHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC001176989176 1121704193 /nfs/dbraw/zinc/70/41/93/1121704193.db2.gz ZQPLYMZPYMVYCR-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993664 1121705353 /nfs/dbraw/zinc/70/53/53/1121705353.db2.gz IVZCDKAYLQUPPA-OLZOCXBDSA-N -1 1 295.810 3.878 20 0 CHADMM CO[C@H](C)c1nc(=NCC[C@@H](C)CC(C)(C)C)s[n-]1 ZINC000509921304 1121798137 /nfs/dbraw/zinc/79/81/37/1121798137.db2.gz YBQSTWQHXDRJTP-GHMZBOCLSA-N -1 1 285.457 3.542 20 0 CHADMM CC(C)CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000821197314 1121918988 /nfs/dbraw/zinc/91/89/88/1121918988.db2.gz REIOMONSGPXPAW-UHFFFAOYSA-N -1 1 299.370 3.512 20 0 CHADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)[C@@H]1c1ccccc1 ZINC001180141593 1121950337 /nfs/dbraw/zinc/95/03/37/1121950337.db2.gz GWPDBBHYRZYHNL-DIFFPNOSSA-N -1 1 289.325 3.863 20 0 CHADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000822698867 1121968078 /nfs/dbraw/zinc/96/80/78/1121968078.db2.gz DJWOMNBVZYLNSV-MEDUHNTESA-N -1 1 299.370 3.512 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H](C(C)C)C(F)(F)F ZINC001225616301 1122031410 /nfs/dbraw/zinc/03/14/10/1122031410.db2.gz IBWXXPMHVVYLKB-LBPRGKRZSA-N -1 1 276.254 3.561 20 0 CHADMM COc1cc(NCc2ccc([O-])c(F)c2F)ccc1Cl ZINC001181287102 1122045920 /nfs/dbraw/zinc/04/59/20/1122045920.db2.gz YZHOVNBRJKNKEE-UHFFFAOYSA-N -1 1 299.704 3.945 20 0 CHADMM CCC[C@@H](Oc1cc([O-])cc(O)c1C(C)=O)[C@H](C)CC ZINC001225678840 1122256109 /nfs/dbraw/zinc/25/61/09/1122256109.db2.gz KZFOXWHDFMFPQR-QMTHXVAHSA-N -1 1 280.364 3.894 20 0 CHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620214831 1129042809 /nfs/dbraw/zinc/04/28/09/1129042809.db2.gz LDLDOGYRPAQTAG-GFCCVEGCSA-N -1 1 293.794 3.698 20 0 CHADMM CC1(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])CCC1 ZINC001185103153 1122317319 /nfs/dbraw/zinc/31/73/19/1122317319.db2.gz FXWFIJZXIWRXLH-UHFFFAOYSA-N -1 1 287.281 3.930 20 0 CHADMM Cc1ccc(Nc2c(F)ccc([O-])c2Cl)c(O)c1 ZINC001250233841 1122379015 /nfs/dbraw/zinc/37/90/15/1122379015.db2.gz XCHGRJBLXPKDRO-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM [O-]c1ccc(F)c(Nc2ccc(F)cc2CO)c1Cl ZINC001250236456 1122386021 /nfs/dbraw/zinc/38/60/21/1122386021.db2.gz QNYNTWHUSBNGFY-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187385026 1122427923 /nfs/dbraw/zinc/42/79/23/1122427923.db2.gz NEIHTJIZYFZYTL-IUCAKERBSA-N -1 1 295.857 3.505 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001187636452 1122435736 /nfs/dbraw/zinc/43/57/36/1122435736.db2.gz PQAJMHHJGHRWLZ-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001187644352 1122436407 /nfs/dbraw/zinc/43/64/07/1122436407.db2.gz XEYMIIRXRIDBKM-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])Nc1cccc(Cl)c1F ZINC001188405020 1122464756 /nfs/dbraw/zinc/46/47/56/1122464756.db2.gz ZTKUDRFOUUCATL-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM O=S(=O)(CC1CC1)[N-]c1cc(-c2ccccc2)cs1 ZINC001188936908 1122481088 /nfs/dbraw/zinc/48/10/88/1122481088.db2.gz APEXXDOSPPAKHJ-UHFFFAOYSA-N -1 1 293.413 3.567 20 0 CHADMM Cc1nc(S[C@H](C)c2c(F)cccc2F)[n-]c(=O)c1C ZINC001189061473 1122488429 /nfs/dbraw/zinc/48/84/29/1122488429.db2.gz PDEXMIRSCSLGBX-SECBINFHSA-N -1 1 296.342 3.931 20 0 CHADMM Cc1cnc(SCCSc2ccccc2F)[n-]c1=O ZINC001189399064 1122499946 /nfs/dbraw/zinc/49/99/46/1122499946.db2.gz ACSHQEPNGBWONW-UHFFFAOYSA-N -1 1 296.392 3.514 20 0 CHADMM CCc1nc(SC[C@H]2CC3CCC2CC3)[n-]c(=O)c1C ZINC001189496068 1122503008 /nfs/dbraw/zinc/50/30/08/1122503008.db2.gz VIBIQLPBBUMQNH-WXRRBKDZSA-N -1 1 292.448 3.971 20 0 CHADMM [O-]c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1F ZINC000436549619 1122559365 /nfs/dbraw/zinc/55/93/65/1122559365.db2.gz XWPYGZLKQKZNDS-QPJJXVBHSA-N -1 1 281.286 3.956 20 0 CHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000436563721 1122562277 /nfs/dbraw/zinc/56/22/77/1122562277.db2.gz PVJCQBOGANYXHH-INIZCTEOSA-N -1 1 299.345 3.817 20 0 CHADMM Cc1ncsc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436583426 1122564170 /nfs/dbraw/zinc/56/41/70/1122564170.db2.gz GXLZWSNVDWXYSY-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM CC(C)c1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1 ZINC000436625481 1122566827 /nfs/dbraw/zinc/56/68/27/1122566827.db2.gz OXZVRWIQDOXRLR-UHFFFAOYSA-N -1 1 299.345 3.858 20 0 CHADMM CSc1ccc(C)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436685994 1122571051 /nfs/dbraw/zinc/57/10/51/1122571051.db2.gz DEDAOGKIZISFBE-UHFFFAOYSA-N -1 1 291.347 3.814 20 0 CHADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436745092 1122577476 /nfs/dbraw/zinc/57/74/76/1122577476.db2.gz ANEINMLYGBMBGP-RYUDHWBXSA-N -1 1 293.382 3.818 20 0 CHADMM CCC(CC)N(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000436858184 1122590218 /nfs/dbraw/zinc/59/02/18/1122590218.db2.gz ZIFGQAAWPVIAHL-UHFFFAOYSA-N -1 1 269.772 3.696 20 0 CHADMM CC(C)CC1(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000436879376 1122591195 /nfs/dbraw/zinc/59/11/95/1122591195.db2.gz MTOISJIWQQMZFJ-UHFFFAOYSA-N -1 1 276.311 3.659 20 0 CHADMM COc1ccc(C(=O)Nc2ccc3occ(C)c3c2)c([O-])c1 ZINC000436973810 1122600326 /nfs/dbraw/zinc/60/03/26/1122600326.db2.gz VCPJLLFXYLDZTI-UHFFFAOYSA-N -1 1 297.310 3.708 20 0 CHADMM CCCNc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436988677 1122601216 /nfs/dbraw/zinc/60/12/16/1122601216.db2.gz XKRJGZQENJRORA-UHFFFAOYSA-N -1 1 288.322 3.606 20 0 CHADMM CC1=C[C@@H](C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436998320 1122601468 /nfs/dbraw/zinc/60/14/68/1122601468.db2.gz IWQKDWHYMGYUFO-GFCCVEGCSA-N -1 1 281.355 3.584 20 0 CHADMM Cc1cc(NC(=O)Nc2cc(Cl)ncc2[O-])ccc1F ZINC001192357015 1122640884 /nfs/dbraw/zinc/64/08/84/1122640884.db2.gz SSQLNRMEBQXHCC-UHFFFAOYSA-N -1 1 295.701 3.532 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(F)c2F)CC(C)(C)C1 ZINC001192679492 1122655804 /nfs/dbraw/zinc/65/58/04/1122655804.db2.gz VPZYEYRGTQARID-UWVGGRQHSA-N -1 1 297.345 3.615 20 0 CHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])OC1CCCC1 ZINC001193567762 1122698770 /nfs/dbraw/zinc/69/87/70/1122698770.db2.gz VIMGXFXMGOJBQW-UHFFFAOYSA-N -1 1 289.253 3.902 20 0 CHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1C ZINC000438817080 1122725962 /nfs/dbraw/zinc/72/59/62/1122725962.db2.gz XMZVZDMSXNSPHA-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM O=C(Nc1c([O-])cccc1F)Oc1ccc(Cl)cc1 ZINC001194055566 1122743806 /nfs/dbraw/zinc/74/38/06/1122743806.db2.gz IGJKGEPWJSXGSJ-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM CCC(C)(C)[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633612911 1129080071 /nfs/dbraw/zinc/08/00/71/1129080071.db2.gz RPWJFNBYEUOHIH-JTQLQIEISA-N -1 1 283.799 3.529 20 0 CHADMM O=C(Nc1cc([O-])c(Cl)cc1F)Oc1ccc(F)cc1 ZINC001195036264 1122833627 /nfs/dbraw/zinc/83/36/27/1122833627.db2.gz XHEWXJOAARDSOL-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)Oc1ccc(F)cc1 ZINC001195036130 1122834056 /nfs/dbraw/zinc/83/40/56/1122834056.db2.gz HVTMHLFCSCQTNP-UHFFFAOYSA-N -1 1 281.670 3.796 20 0 CHADMM CC[C@@H](C)OC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001195133727 1122847510 /nfs/dbraw/zinc/84/75/10/1122847510.db2.gz XDBDGVPRUQGCED-SSDOTTSWSA-N -1 1 277.242 3.758 20 0 CHADMM [O-]c1cccc(NC(=S)Nc2ccccc2F)c1Cl ZINC001195776990 1122887942 /nfs/dbraw/zinc/88/79/42/1122887942.db2.gz YTSBDPYNZPWZGA-UHFFFAOYSA-N -1 1 296.754 3.994 20 0 CHADMM Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccccc2Cl)n1 ZINC000507208148 1122937815 /nfs/dbraw/zinc/93/78/15/1122937815.db2.gz GMBPFTRCLAEPSL-LBPRGKRZSA-N -1 1 290.794 3.942 20 0 CHADMM Cc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccccc2Cl)n1 ZINC000507208147 1122938067 /nfs/dbraw/zinc/93/80/67/1122938067.db2.gz GMBPFTRCLAEPSL-GFCCVEGCSA-N -1 1 290.794 3.942 20 0 CHADMM Cc1ccc(NC(=S)Nc2cc([O-])c(F)cc2F)cc1 ZINC001197923396 1122973843 /nfs/dbraw/zinc/97/38/43/1122973843.db2.gz SFXDXTHHKAWKLJ-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cccc(NC(=S)Nc2cccc(F)c2[O-])c1 ZINC001198687592 1123008302 /nfs/dbraw/zinc/00/83/02/1123008302.db2.gz GJBZGLNXPKNBHL-UHFFFAOYSA-N -1 1 276.336 3.649 20 0 CHADMM CCCCCCNC(=S)Nc1c(F)cc([O-])cc1F ZINC001200957211 1123069364 /nfs/dbraw/zinc/06/93/64/1123069364.db2.gz NHZFEZOABVBSSY-UHFFFAOYSA-N -1 1 288.363 3.537 20 0 CHADMM Cc1cc(C)cc(NC(=S)Nc2cccc(F)c2[O-])c1 ZINC001201207068 1123079057 /nfs/dbraw/zinc/07/90/57/1123079057.db2.gz MFJCCMIOSYZMGM-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM O=C(Nc1cccc(-n2cccc2)c1)c1ccc([O-])cc1F ZINC000188389326 1123085510 /nfs/dbraw/zinc/08/55/10/1123085510.db2.gz OAROPZVXQWKPSC-UHFFFAOYSA-N -1 1 296.301 3.574 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1cccc(F)c1[O-] ZINC001202247659 1123193067 /nfs/dbraw/zinc/19/30/67/1123193067.db2.gz WLFDPAYRHFNGTQ-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM Cc1cccc(NC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001202315960 1123197837 /nfs/dbraw/zinc/19/78/37/1123197837.db2.gz RVHHVPVTOMHQMC-UHFFFAOYSA-N -1 1 276.723 3.998 20 0 CHADMM CC1(F)CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000634357445 1129111357 /nfs/dbraw/zinc/11/13/57/1129111357.db2.gz TYDIQTJUSFQMMO-UHFFFAOYSA-N -1 1 287.334 3.510 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442852548 1123345491 /nfs/dbraw/zinc/34/54/91/1123345491.db2.gz SMFRVGIAEJUFJO-UHFFFAOYSA-N -1 1 287.340 3.542 20 0 CHADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1ocnc1C1CC1 ZINC000335806601 1123434449 /nfs/dbraw/zinc/43/44/49/1123434449.db2.gz NFGLSOYNLCNSGG-UHFFFAOYSA-N -1 1 298.676 3.736 20 0 CHADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCCCC2 ZINC000634618379 1129121640 /nfs/dbraw/zinc/12/16/40/1129121640.db2.gz PDZCDZNKRUXKDV-HNNXBMFYSA-N -1 1 293.370 3.513 20 0 CHADMM CCCCc1cc(=O)n(-c2ccc(OC)c(Cl)c2)[n-]1 ZINC000634614906 1129121743 /nfs/dbraw/zinc/12/17/43/1129121743.db2.gz RRBNOBWYMUGEAJ-UHFFFAOYSA-N -1 1 280.755 3.632 20 0 CHADMM CCc1c(C(C)C)[n-]n(-c2cccc3cnccc32)c1=O ZINC000634622980 1129121754 /nfs/dbraw/zinc/12/17/54/1129121754.db2.gz UKBJFEGBTRYXOU-ZDUSSCGKSA-N -1 1 281.359 3.620 20 0 CHADMM [O-]c1c(-c2nc(COC3CCC3)no2)ccc2ccccc21 ZINC000634672212 1129123894 /nfs/dbraw/zinc/12/38/94/1129123894.db2.gz KXWNIGJPUCVWAJ-UHFFFAOYSA-N -1 1 296.326 3.665 20 0 CHADMM [O-]c1c(-c2nc(-c3ccoc3)no2)ccc2ccccc21 ZINC000070414929 1123485852 /nfs/dbraw/zinc/48/58/52/1123485852.db2.gz JNGUQOQKQIEMIT-UHFFFAOYSA-N -1 1 278.267 3.855 20 0 CHADMM CCCCCC[C@@](C)(CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854634398 1123490960 /nfs/dbraw/zinc/49/09/60/1123490960.db2.gz CFNDZCHESIVFRT-OAHLLOKOSA-N -1 1 281.400 3.749 20 0 CHADMM O=C(c1cc2ccccc2cc1[O-])N1Cc2ccccc2C1 ZINC000034777834 1123558310 /nfs/dbraw/zinc/55/83/10/1123558310.db2.gz WXEHHOJADMHSTA-UHFFFAOYSA-N -1 1 289.334 3.701 20 0 CHADMM O=C(NCCCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000097989208 1123577507 /nfs/dbraw/zinc/57/75/07/1123577507.db2.gz GAQYUFQYXDJGAO-UHFFFAOYSA-N -1 1 297.276 3.618 20 0 CHADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OCCC2CC2)c1 ZINC000857511842 1123604175 /nfs/dbraw/zinc/60/41/75/1123604175.db2.gz BAXNKWCATFMDJF-CQSZACIVSA-N -1 1 289.419 3.837 20 0 CHADMM CCCCCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858362716 1123647970 /nfs/dbraw/zinc/64/79/70/1123647970.db2.gz JFRCSJGOEYNFEB-VIFPVBQESA-N -1 1 257.765 3.606 20 0 CHADMM CCC[C@H]1CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858389259 1123650504 /nfs/dbraw/zinc/65/05/04/1123650504.db2.gz DOSIJJCRWNMRKB-UWVGGRQHSA-N -1 1 269.776 3.606 20 0 CHADMM CCCC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858442370 1123654596 /nfs/dbraw/zinc/65/45/96/1123654596.db2.gz GUFZTMQHNXLGQB-SNVBAGLBSA-N -1 1 269.776 3.606 20 0 CHADMM CN(C(=O)c1ccc(O)cc1[O-])c1ccc(C(C)(C)C)cc1 ZINC000194823958 1129139737 /nfs/dbraw/zinc/13/97/37/1129139737.db2.gz KRRANTKHEXMWHS-UHFFFAOYSA-N -1 1 299.370 3.672 20 0 CHADMM CSCCCCCCC(=O)Nc1c([O-])cccc1F ZINC000860441269 1123733350 /nfs/dbraw/zinc/73/33/50/1123733350.db2.gz ONFYTIBVQOHGLG-UHFFFAOYSA-N -1 1 285.384 3.783 20 0 CHADMM CCCc1ccccc1NC(=O)c1ccccc1[O-] ZINC000042373430 1123785369 /nfs/dbraw/zinc/78/53/69/1123785369.db2.gz DZVVIJCBWSKXFK-UHFFFAOYSA-N -1 1 255.317 3.597 20 0 CHADMM C[C@H](Oc1cc(Cl)c([O-])cc1Cl)C1CCOCC1 ZINC001227641545 1123835670 /nfs/dbraw/zinc/83/56/70/1123835670.db2.gz PBWUSYIKBGTXGC-QMMMGPOBSA-N -1 1 291.174 3.893 20 0 CHADMM Cc1ccc2nc(-c3cc([O-])cc(Cl)c3)[nH]c(=O)c2c1 ZINC000487479862 1123934501 /nfs/dbraw/zinc/93/45/01/1123934501.db2.gz ZHFFATHVJOBNJV-UHFFFAOYSA-N -1 1 286.718 3.670 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(C)o1 ZINC000445450849 1124082790 /nfs/dbraw/zinc/08/27/90/1124082790.db2.gz XMAPSWMLPSGJPD-UHFFFAOYSA-N -1 1 290.706 3.972 20 0 CHADMM C[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000445457023 1124085651 /nfs/dbraw/zinc/08/56/51/1124085651.db2.gz QJAHMRWSRVEVKX-NXEZZACHSA-N -1 1 276.311 3.875 20 0 CHADMM CC(C)CCO[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483827 1124086079 /nfs/dbraw/zinc/08/60/79/1124086079.db2.gz WXVZNIKLGHOVJH-SNVBAGLBSA-N -1 1 294.326 3.705 20 0 CHADMM CCC(C)(C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479830 1124086567 /nfs/dbraw/zinc/08/65/67/1124086567.db2.gz IFEYCZXHHKEBTQ-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM CCOc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1F ZINC000447129044 1124134441 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C[C@H]1CCC(C)(C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000828920788 1129383902 /nfs/dbraw/zinc/38/39/02/1129383902.db2.gz VUTLRIZJEBUURX-NSHDSACASA-N -1 1 299.370 3.654 20 0 CHADMM CC[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000738648220 1129396419 /nfs/dbraw/zinc/39/64/19/1129396419.db2.gz CHYYHSHFFGZHFD-ZCFIWIBFSA-N -1 1 263.120 3.654 20 0 CHADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241121911 1129461334 /nfs/dbraw/zinc/46/13/34/1129461334.db2.gz SDKHMJBXEJKCHT-UHFFFAOYSA-N -1 1 268.234 3.875 20 0 CHADMM CC(C)c1ccccc1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000644588003 1129471074 /nfs/dbraw/zinc/47/10/74/1129471074.db2.gz XQZKHDKTLYBSGD-UHFFFAOYSA-N -1 1 287.334 3.931 20 0 CHADMM CC(C)C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000743712589 1129534809 /nfs/dbraw/zinc/53/48/09/1129534809.db2.gz VHDRLXIESLGALR-UHFFFAOYSA-N -1 1 281.783 3.554 20 0 CHADMM CCOc1ccc(Cl)c([N-]c2nonc2C2CC2)c1 ZINC001212575808 1129627011 /nfs/dbraw/zinc/62/70/11/1129627011.db2.gz YCXGLXZILBPKNC-UHFFFAOYSA-N -1 1 279.727 3.743 20 0 CHADMM CC(C)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242150982 1129663936 /nfs/dbraw/zinc/66/39/36/1129663936.db2.gz BPYMXXAUBKKCEX-UHFFFAOYSA-N -1 1 282.265 3.991 20 0 CHADMM COc1c(F)ccc(C)c1-c1cccc(F)c1[O-] ZINC001242352567 1129793578 /nfs/dbraw/zinc/79/35/78/1129793578.db2.gz ZAXNJQKUVWXAIU-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM C[C@@H](c1ccccc1)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000767910299 1129822191 /nfs/dbraw/zinc/82/21/91/1129822191.db2.gz BQUKLVQZIOKIFO-LBPRGKRZSA-N -1 1 299.345 3.897 20 0 CHADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CCCC2 ZINC000654567872 1129828831 /nfs/dbraw/zinc/82/88/31/1129828831.db2.gz QFOSVTNWXWXHQU-HNNXBMFYSA-N -1 1 291.366 3.572 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccsc1 ZINC000801436659 1129915722 /nfs/dbraw/zinc/91/57/22/1129915722.db2.gz PBBHOMADLFZMRQ-MRVPVSSYSA-N -1 1 281.764 3.598 20 0 CHADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1c([O-])cccc1Cl ZINC000769668720 1129920900 /nfs/dbraw/zinc/92/09/00/1129920900.db2.gz 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CCc1noc(-c2ccnc(-c3c(F)ccc(C)c3[O-])c2)n1 ZINC001236390649 1130925307 /nfs/dbraw/zinc/92/53/07/1130925307.db2.gz FYXXZMBLNLBCCP-UHFFFAOYSA-N -1 1 299.305 3.514 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3cc(F)c(F)cc32)c1[O-] ZINC001236389987 1130925450 /nfs/dbraw/zinc/92/54/50/1130925450.db2.gz HJBISIUMOKTYOG-UHFFFAOYSA-N -1 1 290.244 3.728 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(-c2ccco2)n1 ZINC001236393915 1130926477 /nfs/dbraw/zinc/92/64/77/1130926477.db2.gz VEWXUAVBHSXGPZ-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc2cc[nH]c21 ZINC001236392074 1130926805 /nfs/dbraw/zinc/92/68/05/1130926805.db2.gz LCIYQVKNJUPAJZ-UHFFFAOYSA-N -1 1 256.280 3.691 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2OC(F)F)c1[O-] ZINC001236392093 1130926876 /nfs/dbraw/zinc/92/68/76/1130926876.db2.gz LKPIQFATSFOIMP-UHFFFAOYSA-N -1 1 269.222 3.503 20 0 CHADMM Cc1ccc(F)c(-c2cccc(OC(F)(F)F)n2)c1[O-] ZINC001236392043 1130926931 /nfs/dbraw/zinc/92/69/31/1130926931.db2.gz KZDKUIWQRRNDMA-UHFFFAOYSA-N -1 1 287.212 3.800 20 0 CHADMM Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(O)c2)cn1 ZINC001236711732 1130997230 /nfs/dbraw/zinc/99/72/30/1130997230.db2.gz UZMFCCVFAZGSCO-MRXNPFEDSA-N -1 1 286.350 3.572 20 0 CHADMM C/C(=C\Cl)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000797808395 1131004057 /nfs/dbraw/zinc/00/40/57/1131004057.db2.gz HXHSJUSSNUAPSZ-RMKNXTFCSA-N -1 1 296.775 3.874 20 0 CHADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1ccc([O-])c(Cl)c1 ZINC000797946960 1131015904 /nfs/dbraw/zinc/01/59/04/1131015904.db2.gz JZSYHSNRNJNGEF-QMMMGPOBSA-N -1 1 289.709 3.810 20 0 CHADMM CCCCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798278136 1131031556 /nfs/dbraw/zinc/03/15/56/1131031556.db2.gz DMKBIMJIZOCNMK-UHFFFAOYSA-N -1 1 289.297 3.721 20 0 CHADMM O=C(c1c([O-])cccc1Cl)N(C1CCC1)C1CCC1 ZINC000817049041 1131138752 /nfs/dbraw/zinc/13/87/52/1131138752.db2.gz MYEYUGFAYHHAST-UHFFFAOYSA-N -1 1 279.767 3.593 20 0 CHADMM CC(C)[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC001116695857 1131159929 /nfs/dbraw/zinc/15/99/29/1131159929.db2.gz 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CCCC[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135596 1132024347 /nfs/dbraw/zinc/02/43/47/1132024347.db2.gz NXASQXFLNHKHDD-GFCCVEGCSA-N -1 1 276.332 3.846 20 0 CHADMM O=C(C[C@@H]1CCc2ccccc21)Nc1cccc(F)c1[O-] ZINC001171632725 1132062695 /nfs/dbraw/zinc/06/26/95/1132062695.db2.gz MLIQITZWWBRNFK-LBPRGKRZSA-N -1 1 285.318 3.590 20 0 CHADMM O=C(C[C@@H]1CCCc2ccccc21)Nc1cccc(F)c1[O-] ZINC001171632909 1132064289 /nfs/dbraw/zinc/06/42/89/1132064289.db2.gz WLRHJEKYEFROKV-ZDUSSCGKSA-N -1 1 299.345 3.980 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1ccccn1 ZINC001229475527 1132072820 /nfs/dbraw/zinc/07/28/20/1132072820.db2.gz YEWVZYRCNMHUMQ-LLVKDONJSA-N -1 1 271.316 3.520 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1nccs1 ZINC001229478456 1132072963 /nfs/dbraw/zinc/07/29/63/1132072963.db2.gz WNAKOQQBIPCXRT-SECBINFHSA-N -1 1 277.345 3.581 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])C1[C@@H]2CCCCCC[C@@H]12 ZINC001171638290 1132081816 /nfs/dbraw/zinc/08/18/16/1132081816.db2.gz VPDHAPLRODLBDY-GHMZBOCLSA-N -1 1 277.339 3.686 20 0 CHADMM C[C@@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)c1ccco1 ZINC001231047808 1132248688 /nfs/dbraw/zinc/24/86/88/1132248688.db2.gz CZGSFZPBWRNSEK-ZCFIWIBFSA-N -1 1 298.129 3.998 20 0 CHADMM C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)c1ccco1 ZINC001231047808 1132248694 /nfs/dbraw/zinc/24/86/94/1132248694.db2.gz CZGSFZPBWRNSEK-ZCFIWIBFSA-N -1 1 298.129 3.998 20 0 CHADMM Cc1ccc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001141831130 1132253168 /nfs/dbraw/zinc/25/31/68/1132253168.db2.gz BQWDKWUYJWTBPH-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM CC(C)C(Oc1cccnc1-c1ncccc1[O-])C(C)C ZINC001231199193 1132269957 /nfs/dbraw/zinc/26/99/57/1132269957.db2.gz CFWBXFYPQFRYSD-UHFFFAOYSA-N -1 1 286.375 3.909 20 0 CHADMM CC[C@@H]1CC[C@H](Nc2c(C)c(=O)[n-]n2-c2ccccc2)C1 ZINC001173273906 1132439119 /nfs/dbraw/zinc/43/91/19/1132439119.db2.gz HETBJASOPRJGJX-KGLIPLIRSA-N -1 1 285.391 3.877 20 0 CHADMM CCCCc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212721338 1132469176 /nfs/dbraw/zinc/46/91/76/1132469176.db2.gz 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1132760938 /nfs/dbraw/zinc/76/09/38/1132760938.db2.gz PQUIQXLMZCLHIG-UHFFFAOYSA-N -1 1 272.135 3.783 20 0 CHADMM Nc1nc(Cl)ccc1Nc1c(F)ccc([O-])c1Cl ZINC001159384188 1132837221 /nfs/dbraw/zinc/83/72/21/1132837221.db2.gz RUMLQGWBUCOUJI-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM Cc1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174530563 1132893518 /nfs/dbraw/zinc/89/35/18/1132893518.db2.gz AGFJTAVAJVARLW-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC001159917375 1132924554 /nfs/dbraw/zinc/92/45/54/1132924554.db2.gz GHYLRQHSYPVCJR-VXGBXAGGSA-N -1 1 295.810 3.992 20 0 CHADMM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC001159917374 1132925254 /nfs/dbraw/zinc/92/52/54/1132925254.db2.gz GHYLRQHSYPVCJR-RYUDHWBXSA-N -1 1 295.810 3.992 20 0 CHADMM Cc1c(F)cccc1Nc1cc(F)c([O-])cc1F ZINC001174667931 1132956609 /nfs/dbraw/zinc/95/66/09/1132956609.db2.gz FEKYSFKTUUZEGB-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001160917305 1132987215 /nfs/dbraw/zinc/98/72/15/1132987215.db2.gz RAQIZUJOAGPKEO-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM Cc1cc(C)cc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001160916252 1132987300 /nfs/dbraw/zinc/98/73/00/1132987300.db2.gz IHDVGVPCHVDOOR-UHFFFAOYSA-N -1 1 277.270 3.540 20 0 CHADMM CC1(C)CCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC001160916209 1132987506 /nfs/dbraw/zinc/98/75/06/1132987506.db2.gz GLLPQZDYBAOWEN-VIFPVBQESA-N -1 1 283.318 3.825 20 0 CHADMM C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000252182419 1133190259 /nfs/dbraw/zinc/19/02/59/1133190259.db2.gz TVFVPSUOFBRHRD-IAZYJMLFSA-N -1 1 281.783 3.600 20 0 CHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1CC1CCCC1 ZINC001164105088 1133197695 /nfs/dbraw/zinc/19/76/95/1133197695.db2.gz RGESACZICYKBRS-CYBMUJFWSA-N -1 1 291.366 3.716 20 0 CHADMM c1nn(C2CCC2)cc1[N-]c1nc(-c2ccccc2)ns1 ZINC001164234060 1133209906 /nfs/dbraw/zinc/20/99/06/1133209906.db2.gz IBSYXJJHMVECSU-UHFFFAOYSA-N -1 1 297.387 3.870 20 0 CHADMM [O-]c1ccc(-c2ncc3c(n2)-c2ccccc2OC3)c(F)c1 ZINC001206037412 1133646461 /nfs/dbraw/zinc/64/64/61/1133646461.db2.gz HMJJXPZSVKLILY-UHFFFAOYSA-N -1 1 294.285 3.548 20 0 CHADMM Cc1c[nH]c2ncc(Nc3c([O-])cc(F)cc3F)cc12 ZINC001206042432 1133647591 /nfs/dbraw/zinc/64/75/91/1133647591.db2.gz CFJZAFBYMJLKQC-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM Cc1cccc(Nc2cc(F)c([O-])cc2F)c1F ZINC001210037948 1134129432 /nfs/dbraw/zinc/12/94/32/1134129432.db2.gz RXPIMOJGCHAFPQ-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc2cc[nH]c21 ZINC001210213778 1134167228 /nfs/dbraw/zinc/16/72/28/1134167228.db2.gz SRRDMVZQFXRGTJ-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)o1 ZINC001210284514 1134185850 /nfs/dbraw/zinc/18/58/50/1134185850.db2.gz HXORZAYYUWPCTI-UHFFFAOYSA-N -1 1 269.304 3.531 20 0 CHADMM COc1ncc(Cl)cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001210449009 1134217158 /nfs/dbraw/zinc/21/71/58/1134217158.db2.gz GAAZGJOGDLVVFX-UHFFFAOYSA-N -1 1 298.799 3.636 20 0 CHADMM C[C@H](O)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001210508314 1134234692 /nfs/dbraw/zinc/23/46/92/1134234692.db2.gz ISTBIUUJCZVGDM-QMMMGPOBSA-N -1 1 281.714 3.982 20 0 CHADMM CC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1O ZINC001210855368 1134313738 /nfs/dbraw/zinc/31/37/38/1134313738.db2.gz YAXUZEJVKKMXJU-UHFFFAOYSA-N -1 1 277.707 3.697 20 0 CHADMM [O-]c1c(Cl)cc(Nc2cnsc2)cc1Cl ZINC001210926523 1134329523 /nfs/dbraw/zinc/32/95/23/1134329523.db2.gz LNXKSWFICHIJMP-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM Cc1cc(Nc2cccc([S-])c2)n(-c2ccncc2)n1 ZINC001210946393 1134335167 /nfs/dbraw/zinc/33/51/67/1134335167.db2.gz LBTOHMGVDCBEPA-UHFFFAOYSA-N -1 1 282.372 3.608 20 0 CHADMM Cc1nc2ccc(F)cn2c1Nc1cccc([S-])c1 ZINC001210946686 1134335872 /nfs/dbraw/zinc/33/58/72/1134335872.db2.gz VIELCEJZHKUGCH-UHFFFAOYSA-N -1 1 273.336 3.814 20 0 CHADMM Cc1c(CO)cccc1Nc1cc([O-])c(Cl)cc1F ZINC001211166219 1134382936 /nfs/dbraw/zinc/38/29/36/1134382936.db2.gz OTAORJATFKHESJ-UHFFFAOYSA-N -1 1 281.714 3.729 20 0 CHADMM CC(C)(C)c1nnc([N-]c2cnccc2Cl)s1 ZINC001211208360 1134390842 /nfs/dbraw/zinc/39/08/42/1134390842.db2.gz RJLYHCBSKVLETL-UHFFFAOYSA-N -1 1 268.773 3.628 20 0 CHADMM Cc1nc2cc(-c3cc(F)c(O)cc3F)ccc2[nH]1 ZINC001211337979 1134409928 /nfs/dbraw/zinc/40/99/28/1134409928.db2.gz ARPYAEPAPYSCJH-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1nc2ccc(-c3cc(F)c([O-])cc3F)cc2[nH]1 ZINC001211337979 1134409931 /nfs/dbraw/zinc/40/99/31/1134409931.db2.gz ARPYAEPAPYSCJH-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1nc2cc(-c3cc(F)c([O-])cc3F)ccc2[nH]1 ZINC001211337979 1134409933 /nfs/dbraw/zinc/40/99/33/1134409933.db2.gz ARPYAEPAPYSCJH-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM CC[S@](=N)(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211352631 1134410966 /nfs/dbraw/zinc/41/09/66/1134410966.db2.gz NNTVGWHCXIISNI-FQEVSTJZSA-N -1 1 297.326 3.763 20 0 CHADMM COc1ccc(C)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211353037 1134411029 /nfs/dbraw/zinc/41/10/29/1134411029.db2.gz RGPVWMPCDDOOMY-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 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297.345 3.603 20 0 CHADMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000278082713 526161993 /nfs/dbraw/zinc/16/19/93/526161993.db2.gz GNENHWYWLVGLQK-SSDOTTSWSA-N -1 1 264.712 3.609 20 0 CHADMM CC(F)(F)C(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000334666126 528714397 /nfs/dbraw/zinc/71/43/97/528714397.db2.gz OFWFDBTVHUHNHD-UHFFFAOYSA-N -1 1 286.253 3.514 20 0 CHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000062015295 599847441 /nfs/dbraw/zinc/84/74/41/599847441.db2.gz VYNPCUKZLISLEB-JTQLQIEISA-N -1 1 293.750 3.824 20 0 CHADMM O=C([O-])c1coc(CN(Cc2ccco2)C2CCCC2)c1 ZINC000579364509 599847958 /nfs/dbraw/zinc/84/79/58/599847958.db2.gz KWMQZSPRNMEVBB-UHFFFAOYSA-N -1 1 289.331 3.516 20 0 CHADMM O=C([O-])c1ccc(CN2CCCCC[C@@H]2c2ccco2)o1 ZINC000566359055 600262003 /nfs/dbraw/zinc/26/20/03/600262003.db2.gz DNWAHRSPLUQWSW-CYBMUJFWSA-N -1 1 289.331 3.688 20 0 CHADMM C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736839501 600441284 /nfs/dbraw/zinc/44/12/84/600441284.db2.gz 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CC[C@H]1c2ccsc2CCN1Cc1ccoc1C(=O)[O-] ZINC000515855633 974302988 /nfs/dbraw/zinc/30/29/88/974302988.db2.gz HNZWNTDDAIOEMU-LBPRGKRZSA-N -1 1 291.372 3.549 20 0 CHADMM Cc1oc(CN(C)Cc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000566360807 974608294 /nfs/dbraw/zinc/60/82/94/974608294.db2.gz AXBFVZOSVYFESZ-UHFFFAOYSA-N -1 1 287.359 3.535 20 0 CHADMM Cc1cc(CN2CCC[C@@H]2c2ccsc2)oc1C(=O)[O-] ZINC000652390038 975519057 /nfs/dbraw/zinc/51/90/57/975519057.db2.gz YMFUSUIYHRNQJH-CYBMUJFWSA-N -1 1 291.372 3.685 20 0 CHADMM C[C@H](CN(C)[C@@H](C)c1nc(C(=O)[O-])co1)C1CCCCC1 ZINC001592578835 978486318 /nfs/dbraw/zinc/48/63/18/978486318.db2.gz HUULCRRNNCSHCD-NEPJUHHUSA-N -1 1 294.395 3.582 20 0 CHADMM CCCCC[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901727036 980467701 /nfs/dbraw/zinc/46/77/01/980467701.db2.gz QNFBUCZMOBJKQN-LBPRGKRZSA-N -1 1 298.452 3.564 20 0 CHADMM CCc1oc(CN[C@H]2CCc3ccc(C)cc32)cc1C(=O)[O-] ZINC000902230975 980792238 /nfs/dbraw/zinc/79/22/38/980792238.db2.gz MXWGCESJLNSCHX-INIZCTEOSA-N -1 1 299.370 3.626 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(Cl)c(C)c1 ZINC000902308527 980827518 /nfs/dbraw/zinc/82/75/18/980827518.db2.gz OKIVGWBZDMLXBD-UHFFFAOYSA-N -1 1 293.750 3.538 20 0 CHADMM CSc1ccccc1[C@@H](C)NCc1ccoc1C(=O)[O-] ZINC000902380807 980863679 /nfs/dbraw/zinc/86/36/79/980863679.db2.gz LGPGFUHHFZBOIB-SNVBAGLBSA-N -1 1 291.372 3.551 20 0 CHADMM CCCC[C@@H](SCc1ccc2nc(C)[nH]c2c1)C(=O)[O-] ZINC001595657163 982059776 /nfs/dbraw/zinc/05/97/76/982059776.db2.gz JOPUUSRZWDJJAG-CQSZACIVSA-N -1 1 292.404 3.748 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN([C@@H]1CCc3c1cccc3F)C2 ZINC001118493328 982957328 /nfs/dbraw/zinc/95/73/28/982957328.db2.gz UPKSDFUVWNGFIH-QGZVFWFLSA-N -1 1 297.329 3.527 20 0 CHADMM C/C(=C\c1ccccc1)CN[C@H](C(=O)[O-])c1cccs1 ZINC001589003502 984953203 /nfs/dbraw/zinc/95/32/03/984953203.db2.gz BZRBKCIVEJYEDQ-PABFRNLHSA-N -1 1 287.384 3.567 20 0 CHADMM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1ccccc1F ZINC001597291719 987381503 /nfs/dbraw/zinc/38/15/03/987381503.db2.gz TVCNGRBZUMPXHV-CQSZACIVSA-N -1 1 291.322 3.666 20 0 CHADMM CCc1oc(CN2C[C@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795861 989348980 /nfs/dbraw/zinc/34/89/80/989348980.db2.gz GAVRNBFGHKJLTF-SJCJKPOMSA-N -1 1 299.370 3.733 20 0 CHADMM CCc1oc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597795863 989349299 /nfs/dbraw/zinc/34/92/99/989349299.db2.gz GAVRNBFGHKJLTF-YVEFUNNKSA-N -1 1 299.370 3.733 20 0 CHADMM CC(C)C[C@@H](C(=O)[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001591119526 991788827 /nfs/dbraw/zinc/78/88/27/991788827.db2.gz FLHZPYHRHWAYST-DZGCQCFKSA-N -1 1 291.391 3.696 20 0 CHADMM Nc1ccc(Cl)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482600 1120245020 /nfs/dbraw/zinc/24/50/20/1120245020.db2.gz DCQRZAMULOMHNI-UHFFFAOYSA-N -1 1 288.109 3.559 20 0 CHADMM C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210856 994255406 /nfs/dbraw/zinc/25/54/06/994255406.db2.gz TXZQMNLDMAMQHW-BZNIZROVSA-N -1 1 285.343 3.780 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)c(F)cc1F ZINC001175087175 1121179715 /nfs/dbraw/zinc/17/97/15/1121179715.db2.gz YBTKGDFKGZDNHN-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM CC[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C(C)(C)C ZINC001183054628 1122203337 /nfs/dbraw/zinc/20/33/37/1122203337.db2.gz QMBCUQNFCMIBGQ-JTQLQIEISA-N -1 1 267.344 3.932 20 0 CHADMM CCC(CC)N(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000436855648 1122587490 /nfs/dbraw/zinc/58/74/90/1122587490.db2.gz QBNJCBSWKCXSPF-UHFFFAOYSA-N -1 1 269.772 3.696 20 0 CHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)CC(C)(C)C ZINC000608365167 1123415412 /nfs/dbraw/zinc/41/54/12/1123415412.db2.gz ABRJONIKYZVODJ-JTQLQIEISA-N -1 1 267.344 3.932 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCC[C@H](C)C1 ZINC001229475378 1132074027 /nfs/dbraw/zinc/07/40/27/1132074027.db2.gz VPBMZZICNUAYJR-AAEUAGOBSA-N -1 1 262.349 3.942 20 0 CHADMM [O-]c1cc(Nc2c(F)cccc2F)cc(F)c1F ZINC001173862398 1132565090 /nfs/dbraw/zinc/56/50/90/1132565090.db2.gz WDUODYOJDPJTOJ-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214477499 1134541923 /nfs/dbraw/zinc/54/19/23/1134541923.db2.gz RLWBBBZOFLVCRZ-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM COc1ccc(O)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214488292 1134543013 /nfs/dbraw/zinc/54/30/13/1134543013.db2.gz ASBRRYKGYXSADK-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc(F)c(O)c(Cl)c1 ZINC001214484460 1134543684 /nfs/dbraw/zinc/54/36/84/1134543684.db2.gz LBBGJAFUANFUBE-UHFFFAOYSA-N -1 1 289.093 3.682 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc(Cl)c1CO ZINC001214654596 1134561676 /nfs/dbraw/zinc/56/16/76/1134561676.db2.gz XSPOFHKXWHVLLP-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM CCC(=O)[C@H](CC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227640977 1135852506 /nfs/dbraw/zinc/85/25/06/1135852506.db2.gz HVDSRQDOMONXSG-NSHDSACASA-N -1 1 277.147 3.836 20 0 CHADMM Cc1ccsc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476359 1125599251 /nfs/dbraw/zinc/59/92/51/1125599251.db2.gz BMUIUPQXJYELQH-UHFFFAOYSA-N -1 1 276.292 3.618 20 0 CHADMM C[C@H]1CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885679866 1125620459 /nfs/dbraw/zinc/62/04/59/1125620459.db2.gz HVXFZLVZQXMBCR-KYZUINATSA-N -1 1 285.746 3.950 20 0 CHADMM Cn1c(Nc2ccnc(Cl)c2[O-])cc2ccccc21 ZINC001212044572 1125665883 /nfs/dbraw/zinc/66/58/83/1125665883.db2.gz KBKWEPSQNRIVOV-UHFFFAOYSA-N -1 1 273.723 3.676 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCCC[C@@H]12 ZINC001136200511 1131237951 /nfs/dbraw/zinc/23/79/51/1131237951.db2.gz ZZMWGEHZUCHPFQ-PVXIVEMSSA-N -1 1 291.366 3.572 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001202768381 1126773004 /nfs/dbraw/zinc/77/30/04/1126773004.db2.gz WKOIBBPCYIKYJR-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668263354 1126801833 /nfs/dbraw/zinc/80/18/33/1126801833.db2.gz QSNRSNKZUUUWEJ-AWEZNQCLSA-N -1 1 298.386 3.591 20 0 CHADMM [O-]c1ccc(Cc2nc(-c3ccccc3)no2)cc1Cl ZINC000904237005 1126839606 /nfs/dbraw/zinc/83/96/06/1126839606.db2.gz XYCISXVWRARQNH-UHFFFAOYSA-N -1 1 286.718 3.686 20 0 CHADMM [O-]c1ccc(Cc2nc(-c3cccs3)no2)cc1Cl ZINC000904278229 1126842496 /nfs/dbraw/zinc/84/24/96/1126842496.db2.gz ZIQUTPNIZPOYDP-UHFFFAOYSA-N -1 1 292.747 3.748 20 0 CHADMM CC/C(C)=C(/C)C(=O)Nc1cccc([O-])c1Br ZINC000908709419 1127012564 /nfs/dbraw/zinc/01/25/64/1127012564.db2.gz JSKIVFKFOZEPOS-HJWRWDBZSA-N -1 1 298.180 3.840 20 0 CHADMM CCC1(C(=O)Nc2cccc([O-])c2Br)CCC1 ZINC000908709108 1127012721 /nfs/dbraw/zinc/01/27/21/1127012721.db2.gz JFKWMEZMLONFFT-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM C[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908710381 1127012772 /nfs/dbraw/zinc/01/27/72/1127012772.db2.gz PGNXIOKGYDHPSZ-BDAKNGLRSA-N -1 1 298.180 3.529 20 0 CHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000269664574 1127044179 /nfs/dbraw/zinc/04/41/79/1127044179.db2.gz KKHBQLHMXWXWKV-MNOVXSKESA-N -1 1 291.347 3.643 20 0 CHADMM CCCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909974905 1127041918 /nfs/dbraw/zinc/04/19/18/1127041918.db2.gz LTKHRWQKEAGUNV-UHFFFAOYSA-N -1 1 257.280 3.579 20 0 CHADMM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986301 1127075980 /nfs/dbraw/zinc/07/59/80/1127075980.db2.gz FYPBDTNMIJAGEZ-ZCFIWIBFSA-N -1 1 297.223 3.588 20 0 CHADMM CCOc1cc(C(=O)N(C)C(C)(C)CC)cc(Cl)c1[O-] ZINC000273918780 1127102178 /nfs/dbraw/zinc/10/21/78/1127102178.db2.gz FBVNKAYUDANTHX-UHFFFAOYSA-N -1 1 299.798 3.705 20 0 CHADMM O=C(CC1CCCC1)Nc1ccc(Br)c([O-])c1 ZINC001320805802 1127155747 /nfs/dbraw/zinc/15/57/47/1127155747.db2.gz NOFCTKCEZOOKLH-UHFFFAOYSA-N -1 1 298.180 3.674 20 0 CHADMM CCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CC1 ZINC000351573589 1127195281 /nfs/dbraw/zinc/19/52/81/1127195281.db2.gz HVCGWPSYLCUBEW-UHFFFAOYSA-N -1 1 298.180 3.592 20 0 CHADMM O=C([O-])c1cccc(-c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000572725247 1127225271 /nfs/dbraw/zinc/22/52/71/1127225271.db2.gz DUXYFZXQVATKAK-UHFFFAOYSA-N -1 1 288.253 3.866 20 0 CHADMM CC[C@@]1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669334549 1127228587 /nfs/dbraw/zinc/22/85/87/1127228587.db2.gz IAOLZNZFJWJSGR-SFHVURJKSA-N -1 1 298.386 3.593 20 0 CHADMM CCCCC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000057306162 1127252012 /nfs/dbraw/zinc/25/20/12/1127252012.db2.gz VOBKLOSGLZIXTG-SNVBAGLBSA-N -1 1 269.772 3.744 20 0 CHADMM Cc1ncc(F)cc1-c1c(F)ccc([O-])c1Cl ZINC001245832630 1131202177 /nfs/dbraw/zinc/20/21/77/1131202177.db2.gz QZWBPGCDPHQKMV-UHFFFAOYSA-N -1 1 255.651 3.694 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)s1 ZINC000069572685 1127429559 /nfs/dbraw/zinc/42/95/59/1127429559.db2.gz FRKRVFLKFFNLPU-UHFFFAOYSA-N -1 1 287.793 3.511 20 0 CHADMM CCc1ccnc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)c1 ZINC000358845464 1127435521 /nfs/dbraw/zinc/43/55/21/1127435521.db2.gz HOZNXUYQWIYSLC-UHFFFAOYSA-N -1 1 285.734 3.613 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC000359273006 1127455840 /nfs/dbraw/zinc/45/58/40/1127455840.db2.gz ZKMUFZFNJKTCIL-HIFRSBDPSA-N -1 1 290.407 3.608 20 0 CHADMM CC[C@@](C)(NCc1cccc([O-])c1Cl)c1nccs1 ZINC000293683004 1127513024 /nfs/dbraw/zinc/51/30/24/1127513024.db2.gz VTCVIMNYCLKSMO-CQSZACIVSA-N -1 1 296.823 3.917 20 0 CHADMM C[C@@]1(F)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000295489200 1127644684 /nfs/dbraw/zinc/64/46/84/1127644684.db2.gz JFYMGGNCKUQLGU-QGZVFWFLSA-N -1 1 287.334 3.510 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCCCC3(F)F)n2)cc1F ZINC000296650232 1127680095 /nfs/dbraw/zinc/68/00/95/1127680095.db2.gz DIGOSXVJPOBXFI-SECBINFHSA-N -1 1 298.264 3.874 20 0 CHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1ccc(F)cc1 ZINC000605439376 1127736421 /nfs/dbraw/zinc/73/64/21/1127736421.db2.gz HNEAKSQISNOHDA-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM O=C(CCc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000605440483 1127736643 /nfs/dbraw/zinc/73/66/43/1127736643.db2.gz SSAPUKZZECXMHY-UHFFFAOYSA-N -1 1 293.725 3.756 20 0 CHADMM Cc1ccc(CCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605439474 1127736799 /nfs/dbraw/zinc/73/67/99/1127736799.db2.gz IKADUKOCMUMLIF-UHFFFAOYSA-N -1 1 287.334 3.801 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC12CCC2 ZINC000366780537 1127747611 /nfs/dbraw/zinc/74/76/11/1127747611.db2.gz UKXPWVDNWIUWFW-UHFFFAOYSA-N -1 1 281.355 3.704 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccc(C)cc2C)n1 ZINC000413007701 1127939208 /nfs/dbraw/zinc/93/92/08/1127939208.db2.gz USMDXMIKXHQQQK-UHFFFAOYSA-N -1 1 274.389 3.654 20 0 CHADMM COc1cc(C(=O)N[C@H](C)CCC(C)C)cc(Cl)c1[O-] ZINC000545178919 1128003298 /nfs/dbraw/zinc/00/32/98/1128003298.db2.gz MMQHOSDJODBVCR-SNVBAGLBSA-N -1 1 299.798 3.609 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)COC(C)(C)C ZINC001233646146 1128006209 /nfs/dbraw/zinc/00/62/09/1128006209.db2.gz FXWJFNJCRZOPMJ-LBPRGKRZSA-N -1 1 294.391 3.957 20 0 CHADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000402627567 1128019481 /nfs/dbraw/zinc/01/94/81/1128019481.db2.gz BOBJZOHJPABFFA-AWEZNQCLSA-N -1 1 295.382 3.974 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000928789426 1128249811 /nfs/dbraw/zinc/24/98/11/1128249811.db2.gz NXKBHMXJLIDMSI-UHFFFAOYSA-N -1 1 291.351 3.644 20 0 CHADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000762794630 1128318858 /nfs/dbraw/zinc/31/88/58/1128318858.db2.gz RATOUFYARSJPEX-PKNBQFBNSA-N -1 1 299.374 3.713 20 0 CHADMM [O-]c1ccc(F)cc1-c1nc(-c2coc3ccccc23)no1 ZINC000316921774 1128336590 /nfs/dbraw/zinc/33/65/90/1128336590.db2.gz COOUPWKOMSLZPF-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM [O-]c1ccc(-c2noc(C3(C(F)F)CCCC3)n2)c(F)c1 ZINC000561915717 1128361388 /nfs/dbraw/zinc/36/13/88/1128361388.db2.gz DDKUBRCOKMKFFH-UHFFFAOYSA-N -1 1 298.264 3.658 20 0 CHADMM CC[C@H](NCc1cccc([O-])c1Cl)c1nccs1 ZINC000328424699 1128431501 /nfs/dbraw/zinc/43/15/01/1128431501.db2.gz ZTFNLJIKSAFPQX-JTQLQIEISA-N -1 1 282.796 3.743 20 0 CHADMM CCC/C=C\C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778447559 1128516554 /nfs/dbraw/zinc/51/65/54/1128516554.db2.gz XOOPUPYXWVGOEB-WAYWQWQTSA-N -1 1 298.180 3.758 20 0 CHADMM CCSc1ccccc1CSc1ncc(C)c(=O)[n-]1 ZINC000917777998 1128519419 /nfs/dbraw/zinc/51/94/19/1128519419.db2.gz OARKSTLXXNVRKX-UHFFFAOYSA-N -1 1 292.429 3.895 20 0 CHADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000071029129 1128582487 /nfs/dbraw/zinc/58/24/87/1128582487.db2.gz VQPLMANFMWVQFP-LBPRGKRZSA-N -1 1 295.810 3.944 20 0 CHADMM CN(CC1CCCCC1)C(=O)c1c([O-])cccc1Cl ZINC000920441305 1128681427 /nfs/dbraw/zinc/68/14/27/1128681427.db2.gz WIRGVRZASJLAOO-UHFFFAOYSA-N -1 1 281.783 3.698 20 0 CHADMM Cc1ccccc1CCCSc1ncc(C)c(=O)[n-]1 ZINC000578766592 1128728220 /nfs/dbraw/zinc/72/82/20/1128728220.db2.gz BFTPYDAASDIXFY-UHFFFAOYSA-N -1 1 274.389 3.524 20 0 CHADMM Cc1oc(CN(C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000048880444 1118081683 /nfs/dbraw/zinc/08/16/83/1118081683.db2.gz WOHVTERNHCEBHG-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@@H]2CCc3ccccc32)n1 ZINC000683738464 1118323019 /nfs/dbraw/zinc/32/30/19/1118323019.db2.gz DKTALKYWRDOGSD-CYBMUJFWSA-N -1 1 272.373 3.524 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cc2ccccc2[nH]1 ZINC001211307602 1118501601 /nfs/dbraw/zinc/50/16/01/1118501601.db2.gz DDDVRXGIMKPVPV-UHFFFAOYSA-N -1 1 259.696 3.666 20 0 CHADMM [O-]c1cc(F)c(-c2ccc(F)c3[nH]ccc32)cc1F ZINC001211338099 1118505280 /nfs/dbraw/zinc/50/52/80/1118505280.db2.gz BCTSNHAIGXRNDX-UHFFFAOYSA-N -1 1 263.218 3.958 20 0 CHADMM CC1(C)CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000684058558 1118505549 /nfs/dbraw/zinc/50/55/49/1118505549.db2.gz YHPJOEACRKVFOI-JTQLQIEISA-N -1 1 265.328 3.686 20 0 CHADMM COc1ccc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211349881 1118506478 /nfs/dbraw/zinc/50/64/78/1118506478.db2.gz KNPSFCSKPMOTCP-UHFFFAOYSA-N -1 1 250.244 3.654 20 0 CHADMM Cc1cc([C@H](C)N2CCc3ccc(C)cc3C2)oc1C(=O)[O-] ZINC000656759071 1118650041 /nfs/dbraw/zinc/65/00/41/1118650041.db2.gz VWWMZKJIPDQAGE-ZDUSSCGKSA-N -1 1 299.370 3.714 20 0 CHADMM [O-]c1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1F ZINC001215988898 1118677366 /nfs/dbraw/zinc/67/73/66/1118677366.db2.gz LMPOQWPIZXUODC-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CCc1onc(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000089392598 1118790534 /nfs/dbraw/zinc/79/05/34/1118790534.db2.gz SZWIIBXLFHUBGO-UHFFFAOYSA-N -1 1 296.326 3.657 20 0 CHADMM CCc1cc(=O)[n-]c(SCc2ccsc2Cl)n1 ZINC000657257440 1118939435 /nfs/dbraw/zinc/93/94/35/1118939435.db2.gz VEOZSACRPUTPDK-UHFFFAOYSA-N -1 1 286.809 3.752 20 0 CHADMM Cc1cnc(SCCC2CCCCC2)[n-]c1=O ZINC000657261748 1118942043 /nfs/dbraw/zinc/94/20/43/1118942043.db2.gz JOBLQYRSUXAUGI-UHFFFAOYSA-N -1 1 252.383 3.553 20 0 CHADMM CCc1nc(SCc2cccc(F)c2F)[n-]c(=O)c1C ZINC000657263910 1118943473 /nfs/dbraw/zinc/94/34/73/1118943473.db2.gz GVJSSROFARBLDU-UHFFFAOYSA-N -1 1 296.342 3.624 20 0 CHADMM CC(C)C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000043432570 1119028195 /nfs/dbraw/zinc/02/81/95/1119028195.db2.gz HWVYKMCIDDWVRX-AAEUAGOBSA-N -1 1 275.348 3.583 20 0 CHADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c([O-])cccc1Cl ZINC000743655359 1119323395 /nfs/dbraw/zinc/32/33/95/1119323395.db2.gz SXNPMTQWPBKVNO-DGCLKSJQSA-N -1 1 293.794 3.744 20 0 CHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCc2sccc21 ZINC000092550934 1119341917 /nfs/dbraw/zinc/34/19/17/1119341917.db2.gz IKQXTBFTSVMZHJ-JTQLQIEISA-N -1 1 291.347 3.651 20 0 CHADMM [O-]c1ccc(-c2nc(-c3cc4ccccc4o3)no2)c(F)c1 ZINC000318143482 1119492102 /nfs/dbraw/zinc/49/21/02/1119492102.db2.gz UQVUASMCZUSLDP-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM CC(C)Oc1ccc(F)cc1NC(=O)c1ccccc1[O-] ZINC000171250018 1119589887 /nfs/dbraw/zinc/58/98/87/1119589887.db2.gz RVABUGBIVSXKNG-UHFFFAOYSA-N -1 1 289.306 3.571 20 0 CHADMM CC[C@H](Nc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000647458956 1119759074 /nfs/dbraw/zinc/75/90/74/1119759074.db2.gz DWBAJJSNUNPNFH-JTQLQIEISA-N -1 1 298.264 3.529 20 0 CHADMM CC(C)(CC(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000413648482 1119770517 /nfs/dbraw/zinc/77/05/17/1119770517.db2.gz BXBVGSZMYLQXQY-UHFFFAOYSA-N -1 1 277.698 3.666 20 0 CHADMM CSCc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613531386 1119976642 /nfs/dbraw/zinc/97/66/42/1119976642.db2.gz AFSWEDAOSNBGJO-UHFFFAOYSA-N -1 1 291.347 3.647 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1ccccc1 ZINC000181091892 1120101460 /nfs/dbraw/zinc/10/14/60/1120101460.db2.gz KVAQGILWWFBABZ-INIZCTEOSA-N -1 1 285.318 3.509 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1C1CCCCC1 ZINC000181156214 1120101648 /nfs/dbraw/zinc/10/16/48/1120101648.db2.gz QAEPMTFNTKLBJV-MRXNPFEDSA-N -1 1 291.366 3.716 20 0 CHADMM Cc1ccccc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000169166199 1120142814 /nfs/dbraw/zinc/14/28/14/1120142814.db2.gz KLPCHWZRLMMXTC-UHFFFAOYSA-N -1 1 278.258 3.623 20 0 CHADMM O=C(NCc1cccc(F)c1)c1ccc2ccccc2c1[O-] ZINC000314133770 1120171465 /nfs/dbraw/zinc/17/14/65/1120171465.db2.gz OEHBRXRULNDWNO-UHFFFAOYSA-N -1 1 295.313 3.615 20 0 CHADMM C/C=C(\CC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000190998696 1128897219 /nfs/dbraw/zinc/89/72/19/1128897219.db2.gz LKKRPPIZLJIVHH-RUDMXATFSA-N -1 1 298.180 3.758 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cccc([O-])c2F)c2ccccc21 ZINC001626065614 1120310340 /nfs/dbraw/zinc/31/03/40/1120310340.db2.gz PIPUHNTXRLNUNC-LLVKDONJSA-N -1 1 285.318 3.685 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000460868590 1120321427 /nfs/dbraw/zinc/32/14/27/1120321427.db2.gz KEQVGTCBXHVIIX-JSGCOSHPSA-N -1 1 286.400 3.640 20 0 CHADMM CCc1onc(C)c1NCc1cccc([O-])c1Cl ZINC000922131336 1120378038 /nfs/dbraw/zinc/37/80/38/1120378038.db2.gz KZSKYSMHUAXZOI-UHFFFAOYSA-N -1 1 266.728 3.517 20 0 CHADMM Cc1ccc(C(F)(F)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000780523649 1120400035 /nfs/dbraw/zinc/40/00/35/1120400035.db2.gz NQSCADSOBQQVDM-UHFFFAOYSA-N -1 1 295.260 3.570 20 0 CHADMM COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)c([O-])c1 ZINC000019837899 1120471690 /nfs/dbraw/zinc/47/16/90/1120471690.db2.gz HMGDGRLUDMXFMW-UHFFFAOYSA-N -1 1 285.343 3.578 20 0 CHADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000019840052 1120471870 /nfs/dbraw/zinc/47/18/70/1120471870.db2.gz BIBOMTKKSMOVPS-BETUJISGSA-N -1 1 283.371 3.664 20 0 CHADMM C[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000019837073 1120527957 /nfs/dbraw/zinc/52/79/57/1120527957.db2.gz IOHGPELTSOFSAA-GFCCVEGCSA-N -1 1 269.344 3.560 20 0 CHADMM Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000019839171 1120529311 /nfs/dbraw/zinc/52/93/11/1120529311.db2.gz IWOVLDXXUUXCDV-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@H]2CCCC(F)(F)C2)n1 ZINC000509088488 1120635491 /nfs/dbraw/zinc/63/54/91/1120635491.db2.gz CJWJQHZZUVBSAF-VIFPVBQESA-N -1 1 288.363 3.662 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC=CCCC1 ZINC000909373392 1120800853 /nfs/dbraw/zinc/80/08/53/1120800853.db2.gz XJYNICTYWYDZOI-JTQLQIEISA-N -1 1 281.302 3.745 20 0 CHADMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000191530873 1128942050 /nfs/dbraw/zinc/94/20/50/1128942050.db2.gz XNONQHIFNPWFJR-UHFFFAOYSA-N -1 1 266.703 3.500 20 0 CHADMM Cn1cc(Nc2c([O-])cc(F)cc2F)c2ccccc21 ZINC001203420996 1120981805 /nfs/dbraw/zinc/98/18/05/1120981805.db2.gz LYDDOKGPLBCMQC-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM C[C@H]1CC[C@@H](c2nc(=O)c3c4ccccc4sc3[n-]2)O1 ZINC000630385171 1128955770 /nfs/dbraw/zinc/95/57/70/1128955770.db2.gz MXRMZBJXOKLKEN-WPRPVWTQSA-N -1 1 286.356 3.790 20 0 CHADMM CCc1c(C)[n-]n(-c2cc(C(F)(F)F)ccc2F)c1=O ZINC000634615581 1128959385 /nfs/dbraw/zinc/95/93/85/1128959385.db2.gz LFUNBFCVJCANHE-VIFPVBQESA-N -1 1 288.244 3.593 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3cccnc32)cc1F ZINC001174859376 1121069408 /nfs/dbraw/zinc/06/94/08/1121069408.db2.gz CIWOHWPQCGNKMF-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(F)c(F)c2F)cc1F ZINC001174971178 1121101615 /nfs/dbraw/zinc/10/16/15/1121101615.db2.gz CEVZLWUZJCAUHX-UHFFFAOYSA-N -1 1 275.176 3.831 20 0 CHADMM Cc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1Cl ZINC000191976107 1128964019 /nfs/dbraw/zinc/96/40/19/1128964019.db2.gz BBOXAYUYDRXMIU-UHFFFAOYSA-N -1 1 297.141 3.655 20 0 CHADMM CCOc1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001175002326 1121127533 /nfs/dbraw/zinc/12/75/33/1121127533.db2.gz VTADEFBKNUYYCG-UHFFFAOYSA-N -1 1 279.315 3.649 20 0 CHADMM CCOc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001175094186 1121182781 /nfs/dbraw/zinc/18/27/81/1121182781.db2.gz VETZGGGITTVXBI-UHFFFAOYSA-N -1 1 295.342 3.720 20 0 CHADMM C[C@H](CCCc1ccccc1)C(=O)[N-]Oc1ccccc1 ZINC000773462030 1121189303 /nfs/dbraw/zinc/18/93/03/1121189303.db2.gz QFVFRHQHTZIJTC-OAHLLOKOSA-N -1 1 283.371 3.756 20 0 CHADMM COc1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1F ZINC001175122192 1121191616 /nfs/dbraw/zinc/19/16/16/1121191616.db2.gz ORAACFZLXKLVAY-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001175166547 1121212775 /nfs/dbraw/zinc/21/27/75/1121212775.db2.gz HCRDHPVYUDCDRW-UHFFFAOYSA-N -1 1 278.739 3.891 20 0 CHADMM C[C@H](CCc1ccccc1F)C(=O)[N-]Oc1ccccc1 ZINC000773471274 1121221575 /nfs/dbraw/zinc/22/15/75/1121221575.db2.gz ZVOBTAYGBVOFDO-CYBMUJFWSA-N -1 1 287.334 3.505 20 0 CHADMM O=C1CCCc2cccc(Nc3c(F)ccc([O-])c3F)c21 ZINC001175270387 1121270841 /nfs/dbraw/zinc/27/08/41/1121270841.db2.gz ZAMVIRMYECBIRB-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000187421630 1121287345 /nfs/dbraw/zinc/28/73/45/1121287345.db2.gz MZSBASWCYBDTOV-LRDDRELGSA-N -1 1 283.371 3.806 20 0 CHADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000187433093 1121322433 /nfs/dbraw/zinc/32/24/33/1121322433.db2.gz IKZQFZKOXLNUIA-MLGOLLRUSA-N -1 1 283.371 3.806 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1ccc2sccc2c1 ZINC000675524323 1121323820 /nfs/dbraw/zinc/32/38/20/1121323820.db2.gz XZYWAAGXJLQEMD-UHFFFAOYSA-N -1 1 287.315 3.998 20 0 CHADMM Cc1nc(SC2CC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000631022911 1128978218 /nfs/dbraw/zinc/97/82/18/1128978218.db2.gz DGSJDWFPMYCOSQ-UHFFFAOYSA-N -1 1 264.394 3.649 20 0 CHADMM Cc1nc(SCc2ccc(F)cc2)[n-]c(=O)c1C1CC1 ZINC000631023665 1128978984 /nfs/dbraw/zinc/97/89/84/1128978984.db2.gz DCNGJEQWXAOOGC-UHFFFAOYSA-N -1 1 290.363 3.799 20 0 CHADMM Cc1ccc2n[nH]cc2c1Nc1c([O-])cc(F)cc1F ZINC001175525670 1121365735 /nfs/dbraw/zinc/36/57/35/1121365735.db2.gz FOONDXLHZZVLIQ-UHFFFAOYSA-N -1 1 275.258 3.599 20 0 CHADMM CCCOc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001175599116 1121380661 /nfs/dbraw/zinc/38/06/61/1121380661.db2.gz ZECVOVAAFAGILD-UHFFFAOYSA-N -1 1 285.303 3.862 20 0 CHADMM CCc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001175554265 1121385790 /nfs/dbraw/zinc/38/57/90/1121385790.db2.gz YYPDNVWJLFIMBQ-UHFFFAOYSA-N -1 1 279.343 3.884 20 0 CHADMM Cn1cc2cc(Nc3cc([O-])c(Cl)cc3F)ccc2n1 ZINC001175625184 1121400596 /nfs/dbraw/zinc/40/05/96/1121400596.db2.gz UJMSDKHRKSEDDS-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM Cc1[nH]nc2cc(Nc3ccccc3[S-])ccc12 ZINC001175661927 1121425728 /nfs/dbraw/zinc/42/57/28/1121425728.db2.gz WVNXEJFFIABJTJ-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Cc1[nH]nc2cc(Nc3ccc([S-])cc3)ccc12 ZINC001175662725 1121425963 /nfs/dbraw/zinc/42/59/63/1121425963.db2.gz YJONXERNDZZMCT-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM CCOc1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001175741716 1121444967 /nfs/dbraw/zinc/44/49/67/1121444967.db2.gz IAHDPIYFYMEZKS-UHFFFAOYSA-N -1 1 282.702 3.722 20 0 CHADMM Cc1nsc([N-]c2cccnc2OCc2ccccc2)n1 ZINC001175870991 1121487453 /nfs/dbraw/zinc/48/74/53/1121487453.db2.gz AKMVKHLTSWAMJS-UHFFFAOYSA-N -1 1 298.371 3.564 20 0 CHADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc(C)c1N ZINC001175937226 1121488908 /nfs/dbraw/zinc/48/89/08/1121488908.db2.gz DNJWASYHDVUPPC-UHFFFAOYSA-N -1 1 294.358 3.521 20 0 CHADMM CC1(C)CC(=Nc2ccc(C(N)=O)cc2[O-])CC(C)(C)C1 ZINC001175947297 1121515714 /nfs/dbraw/zinc/51/57/14/1121515714.db2.gz LZIHWZAQXNDBQC-UHFFFAOYSA-N -1 1 288.391 3.633 20 0 CHADMM CC(C)c1nnc([N-]c2ccccc2OC(F)F)o1 ZINC001176007258 1121523178 /nfs/dbraw/zinc/52/31/78/1121523178.db2.gz APUAYGRCPNXOLN-UHFFFAOYSA-N -1 1 269.251 3.538 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccccc1OC(F)F ZINC001176012905 1121524915 /nfs/dbraw/zinc/52/49/15/1121524915.db2.gz VGWWCLKHFWCVHL-UHFFFAOYSA-N -1 1 286.665 3.786 20 0 CHADMM COc1cccc2[nH]c(Nc3c([O-])cc(F)cc3F)cc21 ZINC001176064556 1121545492 /nfs/dbraw/zinc/54/54/92/1121545492.db2.gz SULKSPDVAFOWPB-UHFFFAOYSA-N -1 1 290.269 3.904 20 0 CHADMM COCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001176189979 1121568681 /nfs/dbraw/zinc/56/86/81/1121568681.db2.gz RSGOAJKGEQPHMC-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM Oc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1Cl ZINC000645150800 1121569307 /nfs/dbraw/zinc/56/93/07/1121569307.db2.gz ZTURIZNLTLMFPU-AWEZNQCLSA-N -1 1 291.753 3.962 20 0 CHADMM [O-]c1cc(F)cc(F)c1NC=CCc1ccccc1 ZINC001176217791 1121576834 /nfs/dbraw/zinc/57/68/34/1121576834.db2.gz PBVFZWGGLSWODN-XBXARRHUSA-N -1 1 261.271 3.839 20 0 CHADMM Cc1nsc([N-]c2c(F)cccc2OC(C)C)n1 ZINC001211772924 1121578430 /nfs/dbraw/zinc/57/84/30/1121578430.db2.gz IGIVXIYFPOAMTL-UHFFFAOYSA-N -1 1 267.329 3.516 20 0 CHADMM [O-]c1c(Nc2ccc3nonc3c2)ccc(Cl)c1Cl ZINC001176328496 1121597421 /nfs/dbraw/zinc/59/74/21/1121597421.db2.gz RZWSFBMZYYJDHD-UHFFFAOYSA-N -1 1 296.113 3.979 20 0 CHADMM O=C(OCc1ccc(F)cc1Cl)c1ccc([O-])cc1F ZINC000773566834 1121606347 /nfs/dbraw/zinc/60/63/47/1121606347.db2.gz HQRLKKSDUAXKRA-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccc(C3CC3)n2)c1F ZINC001176669646 1121670983 /nfs/dbraw/zinc/67/09/83/1121670983.db2.gz JKTIVRGFOLKUFT-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670111 1121671014 /nfs/dbraw/zinc/67/10/14/1121671014.db2.gz RQLKKTJKCDZAAF-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM Cn1nc(C2CCC2)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664177 1121671404 /nfs/dbraw/zinc/67/14/04/1121671404.db2.gz QEXOFYXQEAKMMR-UHFFFAOYSA-N -1 1 297.280 3.554 20 0 CHADMM CC(C)(C)c1nccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176669675 1121671751 /nfs/dbraw/zinc/67/17/51/1121671751.db2.gz KAYKTVHMMDFHLO-UHFFFAOYSA-N -1 1 297.280 3.641 20 0 CHADMM CCc1ncsc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670458 1121671894 /nfs/dbraw/zinc/67/18/94/1121671894.db2.gz VHFZQNHNGRYTJH-UHFFFAOYSA-N -1 1 274.267 3.572 20 0 CHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1O ZINC001176671311 1121673066 /nfs/dbraw/zinc/67/30/66/1121673066.db2.gz AAPIMJSHEBBAGH-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM C[C@H](O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671699 1121673131 /nfs/dbraw/zinc/67/31/31/1121673131.db2.gz LYVFWTPXOIORJD-ZETCQYMHSA-N -1 1 283.249 3.606 20 0 CHADMM CC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671407 1121673674 /nfs/dbraw/zinc/67/36/74/1121673674.db2.gz CHAPMJOZLLTGKC-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM Cc1nc2ccccn2c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663084 1121678571 /nfs/dbraw/zinc/67/85/71/1121678571.db2.gz AZTBURQTWCDSJX-UHFFFAOYSA-N -1 1 293.248 3.509 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2C2CC2)c1F ZINC001176663348 1121678654 /nfs/dbraw/zinc/67/86/54/1121678654.db2.gz GBHNTQDIASMPPS-UHFFFAOYSA-N -1 1 280.249 3.826 20 0 CHADMM COCOc1ccc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001176722456 1121678753 /nfs/dbraw/zinc/67/87/53/1121678753.db2.gz ZCPJXGGWXISBPQ-UHFFFAOYSA-N -1 1 299.248 3.536 20 0 CHADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)n1 ZINC001176663206 1121678944 /nfs/dbraw/zinc/67/89/44/1121678944.db2.gz DMBSDHLWZRAFED-UHFFFAOYSA-N -1 1 288.656 3.910 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1 ZINC000729269497 1121770828 /nfs/dbraw/zinc/77/08/28/1121770828.db2.gz RYIHOMADWOALEH-UHFFFAOYSA-N -1 1 290.750 3.816 20 0 CHADMM C/C=C(C)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001178512333 1121792489 /nfs/dbraw/zinc/79/24/89/1121792489.db2.gz INTZCGUKJAIKJS-JFZQOVMVSA-N -1 1 285.265 3.872 20 0 CHADMM Cc1ccccc1Cc1cc([O-])c(F)c(F)c1F ZINC001249872019 1121793929 /nfs/dbraw/zinc/79/39/29/1121793929.db2.gz XUUGCXYJKGHXII-UHFFFAOYSA-N -1 1 252.235 3.709 20 0 CHADMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2cc(Cl)ccc12 ZINC000345176356 1121854912 /nfs/dbraw/zinc/85/49/12/1121854912.db2.gz BYWYGTDIRARDFF-UHFFFAOYSA-N -1 1 290.681 3.501 20 0 CHADMM CC1(C)CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000149995897 1121864372 /nfs/dbraw/zinc/86/43/72/1121864372.db2.gz DHVJYBQUDQLOFJ-LLVKDONJSA-N -1 1 281.783 3.744 20 0 CHADMM [O-]c1ccc(F)c(CCc2ccccc2)c1Cl ZINC001249946104 1121904339 /nfs/dbraw/zinc/90/43/39/1121904339.db2.gz IAGLRSSHLXDHOL-UHFFFAOYSA-N -1 1 250.700 3.970 20 0 CHADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)[C@@H]1c1ccccc1 ZINC001180141594 1121949544 /nfs/dbraw/zinc/94/95/44/1121949544.db2.gz GWPDBBHYRZYHNL-GTNSWQLSSA-N -1 1 289.325 3.863 20 0 CHADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000822698865 1121968064 /nfs/dbraw/zinc/96/80/64/1121968064.db2.gz DJWOMNBVZYLNSV-BDJLRTHQSA-N -1 1 299.370 3.512 20 0 CHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)c2ccccc2O1 ZINC001180614173 1122001441 /nfs/dbraw/zinc/00/14/41/1122001441.db2.gz XXVASDWFTOEFCQ-NSHDSACASA-N -1 1 289.762 3.833 20 0 CHADMM CCC[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271898767 1122181575 /nfs/dbraw/zinc/18/15/75/1122181575.db2.gz VTESUJCLFZZBES-SECBINFHSA-N -1 1 289.297 3.672 20 0 CHADMM [O-]c1cc(F)c(Cc2ccc(F)c(F)c2)cc1F ZINC001250090852 1122190261 /nfs/dbraw/zinc/19/02/61/1122190261.db2.gz YNCCBYJNBHBFIL-UHFFFAOYSA-N -1 1 256.198 3.539 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001185229189 1122328692 /nfs/dbraw/zinc/32/86/92/1122328692.db2.gz XFDQVMXMGSVXSQ-UHFFFAOYSA-N -1 1 295.701 3.532 20 0 CHADMM Cc1ccc(F)c(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001185255435 1122329561 /nfs/dbraw/zinc/32/95/61/1122329561.db2.gz OLHWOVRCXJUOOA-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM C[C@@H](NC(=O)Nc1cccc(F)c1[O-])C1CCCCC1 ZINC001186343669 1122387449 /nfs/dbraw/zinc/38/74/49/1122387449.db2.gz WSFXEJJMLZBULY-SNVBAGLBSA-N -1 1 280.343 3.622 20 0 CHADMM C[C@H](NC(=O)Nc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC001186398139 1122389697 /nfs/dbraw/zinc/38/96/97/1122389697.db2.gz CBONYKWHWOMPOP-VIFPVBQESA-N -1 1 298.333 3.761 20 0 CHADMM CCc1ccccc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001187611025 1122433533 /nfs/dbraw/zinc/43/35/33/1122433533.db2.gz HNSYGAFLGKPWLU-UHFFFAOYSA-N -1 1 291.738 3.647 20 0 CHADMM Cc1c(F)cccc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001189054416 1122487418 /nfs/dbraw/zinc/48/74/18/1122487418.db2.gz MXUWQDMAMNADQD-UHFFFAOYSA-N -1 1 296.248 3.762 20 0 CHADMM C[C@@H]1CC(NC(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)C1 ZINC000084978906 1122529610 /nfs/dbraw/zinc/52/96/10/1122529610.db2.gz TVFVPSUOFBRHRD-UWVGGRQHSA-N -1 1 281.783 3.600 20 0 CHADMM C[C@@H]([N-]C(=O)C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000775409615 1122556666 /nfs/dbraw/zinc/55/66/66/1122556666.db2.gz PLTDQHGVZAHCAS-LLVKDONJSA-N -1 1 285.309 3.565 20 0 CHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1OC(F)F ZINC000436550744 1122559297 /nfs/dbraw/zinc/55/92/97/1122559297.db2.gz TYUSKQKRPDAMRB-UHFFFAOYSA-N -1 1 293.269 3.554 20 0 CHADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436540311 1122560953 /nfs/dbraw/zinc/56/09/53/1122560953.db2.gz WGYSVRFYJXDAOV-RISCZKNCSA-N -1 1 279.355 3.572 20 0 CHADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000436565424 1122562256 /nfs/dbraw/zinc/56/22/56/1122562256.db2.gz JNDBWLTWWSQOHB-GHMZBOCLSA-N -1 1 279.355 3.571 20 0 CHADMM CC(C)CCC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436580306 1122563794 /nfs/dbraw/zinc/56/37/94/1122563794.db2.gz BRSYLYMKHCASFJ-UHFFFAOYSA-N -1 1 293.382 3.820 20 0 CHADMM CCCOc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000436580505 1122564438 /nfs/dbraw/zinc/56/44/38/1122564438.db2.gz BKJYFDKCDPXGRZ-UHFFFAOYSA-N -1 1 289.306 3.572 20 0 CHADMM C[C@]1(NC(=O)c2ccc([O-])cc2F)CCCc2ccccc21 ZINC000436613368 1122565810 /nfs/dbraw/zinc/56/58/10/1122565810.db2.gz QHYGJFPYASUZCG-SFHVURJKSA-N -1 1 299.345 3.513 20 0 CHADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436606441 1122565823 /nfs/dbraw/zinc/56/58/23/1122565823.db2.gz RBDGTPGXFLCORM-FZMZJTMJSA-N -1 1 279.355 3.572 20 0 CHADMM Cc1ccc(Cl)cc1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436701760 1122573590 /nfs/dbraw/zinc/57/35/90/1122573590.db2.gz AQODQCPLXIRROZ-UHFFFAOYSA-N -1 1 293.725 3.770 20 0 CHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2ccccc2)C1 ZINC000436854913 1122586743 /nfs/dbraw/zinc/58/67/43/1122586743.db2.gz VOQJAPFBGXARMP-AWEZNQCLSA-N -1 1 299.345 3.551 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)NC1CCCCCC1 ZINC001191270534 1122587468 /nfs/dbraw/zinc/58/74/68/1122587468.db2.gz WZOLRYKCDNGZPL-UHFFFAOYSA-N -1 1 282.771 3.890 20 0 CHADMM COc1cccc2c1nc(-c1ccc([O-])c(Cl)c1)n2C ZINC000436855678 1122587882 /nfs/dbraw/zinc/58/78/82/1122587882.db2.gz QGSBZOGKNSLWAL-UHFFFAOYSA-N -1 1 288.734 3.608 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ns1 ZINC000436873229 1122590234 /nfs/dbraw/zinc/59/02/34/1122590234.db2.gz ZKANNPNUXKLIBY-UHFFFAOYSA-N -1 1 293.735 3.528 20 0 CHADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000436877961 1122590279 /nfs/dbraw/zinc/59/02/79/1122590279.db2.gz DFOBYMVGCUKVFX-MNOVXSKESA-N -1 1 279.355 3.571 20 0 CHADMM [O-]c1ccc(-c2noc(-c3sccc3Cl)n2)c(F)c1 ZINC000436879758 1122590740 /nfs/dbraw/zinc/59/07/40/1122590740.db2.gz NZJVDKFXGQHSNI-UHFFFAOYSA-N -1 1 296.710 3.963 20 0 CHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436956367 1122599106 /nfs/dbraw/zinc/59/91/06/1122599106.db2.gz QQAUZBAXFMPVHZ-CYBMUJFWSA-N -1 1 295.382 3.950 20 0 CHADMM Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436976153 1122600215 /nfs/dbraw/zinc/60/02/15/1122600215.db2.gz BCXKVQXPYNZGON-GFCCVEGCSA-N -1 1 287.334 3.639 20 0 CHADMM COc1cccc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001250553242 1122747838 /nfs/dbraw/zinc/74/78/38/1122747838.db2.gz SKTLMMMVGJBMKH-UHFFFAOYSA-N -1 1 252.672 3.860 20 0 CHADMM CCCCCCOC(=O)Nc1cc([O-])c(F)cc1F ZINC001194185730 1122750857 /nfs/dbraw/zinc/75/08/57/1122750857.db2.gz QPQWJSUSAPHJPE-UHFFFAOYSA-N -1 1 273.279 3.799 20 0 CHADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000153743973 1129076438 /nfs/dbraw/zinc/07/64/38/1129076438.db2.gz ITWARJXZURCKRQ-OLZOCXBDSA-N -1 1 283.371 3.664 20 0 CHADMM Cc1ccc(OC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001194463363 1122776375 /nfs/dbraw/zinc/77/63/75/1122776375.db2.gz XWGWWGAXZDUMMW-UHFFFAOYSA-N -1 1 277.707 3.965 20 0 CHADMM CC[C@H](C)OC(=O)Nc1cccc([O-])c1Br ZINC001195130381 1122846168 /nfs/dbraw/zinc/84/61/68/1122846168.db2.gz KOZWEJKIUXMTKE-ZETCQYMHSA-N -1 1 288.141 3.502 20 0 CHADMM COc1ccccc1OC(=O)Nc1ccc(Cl)cc1[O-] ZINC001195264966 1122858908 /nfs/dbraw/zinc/85/89/08/1122858908.db2.gz NMNVTXZZXWJZJM-UHFFFAOYSA-N -1 1 293.706 3.665 20 0 CHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C)c2C)o1 ZINC000426792137 1122916316 /nfs/dbraw/zinc/91/63/16/1122916316.db2.gz IGRGSISIVVNFBE-OAHLLOKOSA-N -1 1 287.359 3.510 20 0 CHADMM Cc1ccccc1NC(=S)Nc1cc(F)c([O-])cc1F ZINC001198431510 1122991554 /nfs/dbraw/zinc/99/15/54/1122991554.db2.gz PVOHUGAGZZXYHR-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1ccccc1NC(=S)Nc1c(F)cc([O-])cc1F ZINC001198434738 1122993225 /nfs/dbraw/zinc/99/32/25/1122993225.db2.gz AJJBWHNVDUWOHC-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM Cc1cccc(NC(=S)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001198688150 1123007890 /nfs/dbraw/zinc/00/78/90/1123007890.db2.gz QPCBNJQSMGJIQF-UHFFFAOYSA-N -1 1 294.326 3.788 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@H](CC)c2ccccc2)n1 ZINC000188107102 1123044111 /nfs/dbraw/zinc/04/41/11/1123044111.db2.gz TZKYDFLEWJFVSS-CYBMUJFWSA-N -1 1 274.389 3.576 20 0 CHADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccccc1[O-] ZINC000102258536 1123091959 /nfs/dbraw/zinc/09/19/59/1123091959.db2.gz AARLOTZRKGVGQQ-UHFFFAOYSA-N -1 1 293.269 3.554 20 0 CHADMM CC(=CC(C)(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000843766953 1123094526 /nfs/dbraw/zinc/09/45/26/1123094526.db2.gz URWMDBLOFKVNOT-ZHACJKMWSA-N -1 1 299.374 3.713 20 0 CHADMM O=C(NCc1cccc(Cl)c1)c1c([O-])cccc1Cl ZINC000049095111 1123100788 /nfs/dbraw/zinc/10/07/88/1123100788.db2.gz PHRAEEKHMXICLF-UHFFFAOYSA-N -1 1 296.153 3.629 20 0 CHADMM COc1nc(C(C)C)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001201437965 1123104188 /nfs/dbraw/zinc/10/41/88/1123104188.db2.gz MPBXXOBQSNSWOU-UHFFFAOYSA-N -1 1 294.301 3.941 20 0 CHADMM O=c1ccn(-c2ccc(Nc3ccc(C4CC4)nc3)cc2)[n-]1 ZINC001201723401 1123140697 /nfs/dbraw/zinc/14/06/97/1123140697.db2.gz QZJZXJONFVDSGH-UHFFFAOYSA-N -1 1 292.342 3.594 20 0 CHADMM O=c1[nH]c2ccccc2cc1Nc1cc([O-])c(F)c(F)c1 ZINC001201758404 1123146895 /nfs/dbraw/zinc/14/68/95/1123146895.db2.gz AYPRUBLEOKVNKB-UHFFFAOYSA-N -1 1 288.253 3.668 20 0 CHADMM CC(C)N(CC(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000269208344 1129102818 /nfs/dbraw/zinc/10/28/18/1129102818.db2.gz FPJIBWAZMDHJMU-UHFFFAOYSA-N -1 1 293.313 3.661 20 0 CHADMM Cc1cccc(C)c1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001202210272 1123187815 /nfs/dbraw/zinc/18/78/15/1123187815.db2.gz GNJQHRJDPUNWKR-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM O=C(Nc1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC001202230754 1123191760 /nfs/dbraw/zinc/19/17/60/1123191760.db2.gz LNKKUFJYBXDYLK-UHFFFAOYSA-N -1 1 280.686 3.829 20 0 CHADMM O=C(Nc1cccc(Cl)c1)Nc1c(F)cc([O-])cc1F ZINC001202248659 1123193748 /nfs/dbraw/zinc/19/37/48/1123193748.db2.gz SOXUJRVMDVRPQN-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM Cc1cnc(C(=O)N2CCCC[C@H]2CCC(C)C)c([O-])c1 ZINC000427765767 1123248756 /nfs/dbraw/zinc/24/87/56/1123248756.db2.gz NETOHFFBGJHDPH-AWEZNQCLSA-N -1 1 290.407 3.527 20 0 CHADMM CC(C)(O)CNc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001252363670 1123326537 /nfs/dbraw/zinc/32/65/37/1123326537.db2.gz NDJLQABRFFONSK-UHFFFAOYSA-N -1 1 284.570 3.535 20 0 CHADMM CCc1c(C(C)C)[n-]n(Cc2cnc3ccccc3c2)c1=O ZINC000634618038 1129121802 /nfs/dbraw/zinc/12/18/02/1129121802.db2.gz DWRMDDAUQHTLSR-OAHLLOKOSA-N -1 1 295.386 3.615 20 0 CHADMM Cc1c(Cl)cccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000335739843 1123418928 /nfs/dbraw/zinc/41/89/28/1123418928.db2.gz WMNHYCKDSCVBAQ-UHFFFAOYSA-N -1 1 297.688 3.885 20 0 CHADMM CCc1c(C)[n-]n([C@H](C)c2ccc(Cl)cc2)c1=O ZINC000634601154 1129120482 /nfs/dbraw/zinc/12/04/82/1129120482.db2.gz DRLDLVOOMMHEPG-ZWNOBZJWSA-N -1 1 264.756 3.645 20 0 CHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000272725087 1129120881 /nfs/dbraw/zinc/12/08/81/1129120881.db2.gz IKNMBVZHSGWILD-QMMMGPOBSA-N -1 1 255.745 3.666 20 0 CHADMM CCc1[n-]n(-c2ccnc3ccccc32)c(=O)c1C(C)C ZINC000634603021 1129120978 /nfs/dbraw/zinc/12/09/78/1129120978.db2.gz MFPNXOIKXDERAV-MRXNPFEDSA-N -1 1 281.359 3.620 20 0 CHADMM CCOc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111667215 1123459210 /nfs/dbraw/zinc/45/92/10/1123459210.db2.gz WRTKUNWXZNHZIO-UHFFFAOYSA-N -1 1 291.734 3.697 20 0 CHADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC000051746467 1123471483 /nfs/dbraw/zinc/47/14/83/1123471483.db2.gz HQSSAUKIAFFAHM-CHWSQXEVSA-N -1 1 283.371 3.806 20 0 CHADMM CC(F)(F)CCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674162 1123477761 /nfs/dbraw/zinc/47/77/61/1123477761.db2.gz JAQJTYZFTMNNHK-UHFFFAOYSA-N -1 1 281.661 3.559 20 0 CHADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885675827 1123480258 /nfs/dbraw/zinc/48/02/58/1123480258.db2.gz CAVOSPFBZPQPAA-JGVFFNPUSA-N -1 1 271.719 3.559 20 0 CHADMM CC1(C)CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885675902 1123480644 /nfs/dbraw/zinc/48/06/44/1123480644.db2.gz DXROFXYBFVNHDM-QMMMGPOBSA-N -1 1 285.746 3.950 20 0 CHADMM CC(C)C[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677056 1123481962 /nfs/dbraw/zinc/48/19/62/1123481962.db2.gz ZJOFSYUTSPNBSW-QMMMGPOBSA-N -1 1 273.735 3.805 20 0 CHADMM CC(C)CCc1nnc([N-]C(=O)c2sccc2F)s1 ZINC000855190602 1123510560 /nfs/dbraw/zinc/51/05/60/1123510560.db2.gz JCCPPYFQEAJONM-UHFFFAOYSA-N -1 1 299.396 3.580 20 0 CHADMM CC(C)[C@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858485885 1123657476 /nfs/dbraw/zinc/65/74/76/1123657476.db2.gz IIKLMUNIZRXUTH-QWRGUYRKSA-N -1 1 283.803 3.852 20 0 CHADMM CCCC1CCC(N(C)c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858512116 1123659177 /nfs/dbraw/zinc/65/91/77/1123659177.db2.gz PBBAKUZNMPNAPT-UHFFFAOYSA-N -1 1 283.803 3.631 20 0 CHADMM CCC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858568963 1123663054 /nfs/dbraw/zinc/66/30/54/1123663054.db2.gz TYBCKFHDRMCGKG-SNVBAGLBSA-N -1 1 269.776 3.606 20 0 CHADMM Cc1nc(-c2ccc(NC3CCCCC3)nc2)[n-]c(=O)c1C ZINC000301381670 1123896561 /nfs/dbraw/zinc/89/65/61/1123896561.db2.gz ZMZMCNNEKUPRDD-UHFFFAOYSA-N -1 1 298.390 3.606 20 0 CHADMM Cc1sc(C)c2c1[n-]c(CC1CC(F)(F)C1)nc2=O ZINC000864355166 1123924400 /nfs/dbraw/zinc/92/44/00/1123924400.db2.gz LHCJJRLDRZIJCT-UHFFFAOYSA-N -1 1 284.331 3.602 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc(Cl)c3)n2)c(F)c1 ZINC000445461136 1124085435 /nfs/dbraw/zinc/08/54/35/1124085435.db2.gz FNTMXRGZUJQQAM-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CSc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000445457204 1124085833 /nfs/dbraw/zinc/08/58/33/1124085833.db2.gz MAKCENVVPJZGHD-UHFFFAOYSA-N -1 1 292.291 3.563 20 0 CHADMM COc1ccc(C(=O)N2CC[C@H](C)c3ccccc32)c([O-])c1 ZINC000193158066 1124111309 /nfs/dbraw/zinc/11/13/09/1124111309.db2.gz HJMBGQCSXIMGLB-LBPRGKRZSA-N -1 1 297.354 3.555 20 0 CHADMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cl ZINC000056677913 1124451390 /nfs/dbraw/zinc/45/13/90/1124451390.db2.gz JSJMNBDNTTVODT-WEVVVXLNSA-N -1 1 285.777 3.678 20 0 CHADMM CC(C)CCc1cc(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]1 ZINC000871959581 1124654456 /nfs/dbraw/zinc/65/44/56/1124654456.db2.gz UUYGSCCVMXIRCF-UHFFFAOYSA-N -1 1 299.296 3.629 20 0 CHADMM [O-]c1cccc(CN2CCOCC23CCCCC3)c1Cl ZINC000449625659 1124826585 /nfs/dbraw/zinc/82/65/85/1124826585.db2.gz SPRITZIUCNGNCT-UHFFFAOYSA-N -1 1 295.810 3.581 20 0 CHADMM Cc1ccc(F)c(C(=O)[N-]c2nc(C(C)C)ns2)c1F ZINC000874695719 1124851791 /nfs/dbraw/zinc/85/17/91/1124851791.db2.gz LUVJNQLWPYRYSD-UHFFFAOYSA-N -1 1 297.330 3.500 20 0 CHADMM Cc1cc(F)c(C(=O)[N-]c2nc(C(C)C)ns2)c(F)c1 ZINC000874692978 1124851899 /nfs/dbraw/zinc/85/18/99/1124851899.db2.gz LRAVRLAZMSCOMQ-UHFFFAOYSA-N -1 1 297.330 3.500 20 0 CHADMM COc1cnc(C=Cc2ccc3ccccc3c2)[n-]c1=O ZINC000821007147 1131316632 /nfs/dbraw/zinc/31/66/32/1131316632.db2.gz DNWXSXVLXRKOGU-CLFYSBASSA-N -1 1 278.311 3.514 20 0 CHADMM COc1ccc(C(=O)N(c2ccccc2)C2CCC2)c([O-])c1 ZINC000876275158 1124932407 /nfs/dbraw/zinc/93/24/07/1124932407.db2.gz NCAFFBNXFLJZCT-UHFFFAOYSA-N -1 1 297.354 3.600 20 0 CHADMM CC1=C(C)C[C@@H](C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530003791 1125112177 /nfs/dbraw/zinc/11/21/77/1125112177.db2.gz DGPBWAREWSVFFX-NSHDSACASA-N -1 1 263.312 3.606 20 0 CHADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000666170763 1125305853 /nfs/dbraw/zinc/30/58/53/1125305853.db2.gz ZOKRBHSESZJSAA-TZMCWYRMSA-N -1 1 298.386 3.591 20 0 CHADMM CC(C)c1ccc2nc(-c3cccc(Cl)n3)[n-]c(=O)c2c1 ZINC000129405375 1125333776 /nfs/dbraw/zinc/33/37/76/1125333776.db2.gz JERQPZFTPFMMRQ-UHFFFAOYSA-N -1 1 299.761 3.762 20 0 CHADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001137187605 1125398007 /nfs/dbraw/zinc/39/80/07/1125398007.db2.gz DEBRZTOFDXLMOA-DOMZBBRYSA-N -1 1 299.345 3.550 20 0 CHADMM CCCCC[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000734552522 1129313292 /nfs/dbraw/zinc/31/32/92/1129313292.db2.gz GCSIERPXGHMRPD-CQSZACIVSA-N -1 1 278.396 3.512 20 0 CHADMM O=C(OCc1cccc(C(F)F)c1)c1ccc([O-])cc1F ZINC000795576806 1129373932 /nfs/dbraw/zinc/37/39/32/1129373932.db2.gz AUIHXATXDVIYGA-UHFFFAOYSA-N -1 1 296.244 3.826 20 0 CHADMM C[C@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1Cl ZINC000736710919 1129378491 /nfs/dbraw/zinc/37/84/91/1129378491.db2.gz ONXKZCLZJWJBKZ-SNVBAGLBSA-N -1 1 283.799 3.990 20 0 CHADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccc([O-])c(F)c1 ZINC000643311336 1129437918 /nfs/dbraw/zinc/43/79/18/1129437918.db2.gz GVEKKSRKJICNAQ-HNNXBMFYSA-N -1 1 291.366 3.764 20 0 CHADMM [O-]c1cc(F)c(-c2ccc3c(n2)CCCC3)c(F)c1 ZINC001241117547 1129456831 /nfs/dbraw/zinc/45/68/31/1129456831.db2.gz RQQZOVYGKSUCBP-UHFFFAOYSA-N -1 1 261.271 3.611 20 0 CHADMM [O-]c1cc(F)c(-c2cc(F)ncc2C2CC2)c(F)c1 ZINC001241121998 1129461161 /nfs/dbraw/zinc/46/11/61/1129461161.db2.gz IBMBKFWBQGLSOK-UHFFFAOYSA-N -1 1 265.234 3.749 20 0 CHADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1cccc(Cl)c1 ZINC000742036357 1129466436 /nfs/dbraw/zinc/46/64/36/1129466436.db2.gz GECYJUIKAFXQDO-GFCCVEGCSA-N -1 1 289.762 3.692 20 0 CHADMM CC[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000743757213 1129536142 /nfs/dbraw/zinc/53/61/42/1129536142.db2.gz OQQZBXMYYIHSDS-HNNXBMFYSA-N -1 1 281.783 3.698 20 0 CHADMM Cc1ccc([C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000743823269 1129538318 /nfs/dbraw/zinc/53/83/18/1129538318.db2.gz QOXPOXNOVDDKOY-SECBINFHSA-N -1 1 279.723 3.689 20 0 CHADMM COC(=O)c1nc2cc(-c3c(C)cc(C)cc3C)ccc2[n-]1 ZINC001239551380 1131381143 /nfs/dbraw/zinc/38/11/43/1131381143.db2.gz YWTXYXDUBNLUSS-UHFFFAOYSA-N -1 1 294.354 3.942 20 0 CHADMM COC(=O)c1nc2ccc(-c3c(C)cc(C)cc3C)cc2[n-]1 ZINC001239551380 1131381149 /nfs/dbraw/zinc/38/11/49/1131381149.db2.gz YWTXYXDUBNLUSS-UHFFFAOYSA-N -1 1 294.354 3.942 20 0 CHADMM O=C(OCC1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000744976522 1129591156 /nfs/dbraw/zinc/59/11/56/1129591156.db2.gz ILEAOXSVDDDYBQ-UHFFFAOYSA-N -1 1 275.131 3.656 20 0 CHADMM CC1=C(C)C[C@@H](C(=O)Nc2c([O-])cccc2F)CC1 ZINC000648841346 1129628027 /nfs/dbraw/zinc/62/80/27/1129628027.db2.gz SIAVCBRENFRSBW-NSHDSACASA-N -1 1 263.312 3.606 20 0 CHADMM CCOc1ncccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157512 1129663842 /nfs/dbraw/zinc/66/38/42/1129663842.db2.gz HOHLVHZXAQLUHR-UHFFFAOYSA-N -1 1 283.249 3.872 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1C1CCCC1 ZINC000651554791 1129741675 /nfs/dbraw/zinc/74/16/75/1129741675.db2.gz WJSVGVCMSURIAV-NEPJUHHUSA-N -1 1 279.767 3.810 20 0 CHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]1C1CCCC1 ZINC000651554793 1129741824 /nfs/dbraw/zinc/74/18/24/1129741824.db2.gz WJSVGVCMSURIAV-RYUDHWBXSA-N -1 1 279.767 3.810 20 0 CHADMM CC(C)C(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000652764490 1129769074 /nfs/dbraw/zinc/76/90/74/1129769074.db2.gz LFRUQEFHUSPQDI-UHFFFAOYSA-N -1 1 289.297 3.575 20 0 CHADMM O=C(Nc1ccc2ccccc2c1)c1ccc([O-])c(F)c1 ZINC000767247519 1129783591 /nfs/dbraw/zinc/78/35/91/1129783591.db2.gz RWMIUZGXAXRXOG-UHFFFAOYSA-N -1 1 281.286 3.937 20 0 CHADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CCCC2 ZINC000654567873 1129829156 /nfs/dbraw/zinc/82/91/56/1129829156.db2.gz QFOSVTNWXWXHQU-OAHLLOKOSA-N -1 1 291.366 3.572 20 0 CHADMM C[C@@H](c1ccccc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769632816 1129918546 /nfs/dbraw/zinc/91/85/46/1129918546.db2.gz CDLFEVZLHOFITH-NSHDSACASA-N -1 1 289.762 3.879 20 0 CHADMM CC(C)CN(C(=O)c1c([O-])cccc1Cl)C(C)C ZINC000769741361 1129923808 /nfs/dbraw/zinc/92/38/08/1129923808.db2.gz KHNQIUCHRBXVFE-UHFFFAOYSA-N -1 1 269.772 3.552 20 0 CHADMM O=C(/C=C\c1ccc(Cl)s1)Nc1c([O-])cccc1F ZINC000770862466 1129959879 /nfs/dbraw/zinc/95/98/79/1129959879.db2.gz PFJVWQPZAXQFNK-ALCCZGGFSA-N -1 1 297.738 3.898 20 0 CHADMM Cc1c2nc[nH]c2ccc1-c1cccc([O-])c1Cl ZINC001242800254 1130055320 /nfs/dbraw/zinc/05/53/20/1130055320.db2.gz KRPKIJGEYDXPCO-UHFFFAOYSA-N -1 1 258.708 3.897 20 0 CHADMM Cc1nc2ccc(-c3cccc([O-])c3Cl)cc2c(=O)o1 ZINC001242800032 1130055612 /nfs/dbraw/zinc/05/56/12/1130055612.db2.gz BBMRUNQQZGXJPR-UHFFFAOYSA-N -1 1 287.702 3.522 20 0 CHADMM COCc1cc(OC)ccc1-c1cccc([O-])c1Cl ZINC001242802719 1130056663 /nfs/dbraw/zinc/05/66/63/1130056663.db2.gz GQQMOKQDFCBVNW-UHFFFAOYSA-N -1 1 278.735 3.868 20 0 CHADMM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OCC(F)F)c2ccccc21 ZINC000787519492 1130153756 /nfs/dbraw/zinc/15/37/56/1130153756.db2.gz GQAXSXMJNXUHRA-FZMZJTMJSA-N -1 1 297.345 3.617 20 0 CHADMM Cc1cc2cnc(-c3ccc(F)c([O-])c3)nc2s1 ZINC001243050501 1130193675 /nfs/dbraw/zinc/19/36/75/1130193675.db2.gz VDUACWIFHQVVPP-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1cc2nc[nH]c2cc1-c1cccc(C=CC(=O)[O-])c1 ZINC001240549019 1130351911 /nfs/dbraw/zinc/35/19/11/1130351911.db2.gz VWHAKXLYIQJMQM-AATRIKPKSA-N -1 1 278.311 3.636 20 0 CHADMM [O-]c1ccc(F)cc1-c1ncc(C(F)(F)F)cc1F ZINC001240693705 1130420894 /nfs/dbraw/zinc/42/08/94/1130420894.db2.gz VYJQAVXOPUTSPW-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM CCOc1nnc(-c2cc(F)ccc2[O-])c2ccccc21 ZINC001240696055 1130422886 /nfs/dbraw/zinc/42/28/86/1130422886.db2.gz XPJKKUOEZDGTMN-UHFFFAOYSA-N -1 1 284.290 3.540 20 0 CHADMM Cc1nc(-c2ccncc2)nc(-c2cc(F)ccc2[O-])c1C ZINC001240695601 1130422922 /nfs/dbraw/zinc/42/29/22/1130422922.db2.gz NXRPAGZVXROZHO-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM Cc1ccccc1-c1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240783482 1130468326 /nfs/dbraw/zinc/46/83/26/1130468326.db2.gz UWTOZRZQUZONTP-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM CSc1nc2ccnc(-c3ccc([O-])c(F)c3)c2s1 ZINC001240782608 1130468619 /nfs/dbraw/zinc/46/86/19/1130468619.db2.gz BQDQCBCQKFCGSI-UHFFFAOYSA-N -1 1 292.360 3.925 20 0 CHADMM [O-]c1ccc(-c2nc(C(F)(F)F)ccc2F)cc1F ZINC001240782664 1130468657 /nfs/dbraw/zinc/46/86/57/1130468657.db2.gz CXAVNYIORIIZKO-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(-c2ncc(C(F)(F)F)cc2F)cc1F ZINC001240783153 1130468691 /nfs/dbraw/zinc/46/86/91/1130468691.db2.gz MQEOEVVYSNELNY-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM Cc1ccc(C[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000679314525 1130513195 /nfs/dbraw/zinc/51/31/95/1130513195.db2.gz KIOFHDGUUGMXFK-LBPRGKRZSA-N -1 1 287.334 3.657 20 0 CHADMM COc1cc(-c2cc(F)cc(F)c2[O-])c(OC)cc1C ZINC001243505265 1130515247 /nfs/dbraw/zinc/51/52/47/1130515247.db2.gz YWXDMKHZEAEUMF-UHFFFAOYSA-N -1 1 280.270 3.663 20 0 CHADMM CC(C)[S@](=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503181 1130516565 /nfs/dbraw/zinc/51/65/65/1130516565.db2.gz CTNXNGXMLLQIDC-FQEVSTJZSA-N -1 1 296.338 3.853 20 0 CHADMM COCC[C@@H]([N-]c1nc(-c2ccccc2)no1)c1ccco1 ZINC000679472837 1130531991 /nfs/dbraw/zinc/53/19/91/1130531991.db2.gz KDCKVROGTKMMQC-CYBMUJFWSA-N -1 1 299.330 3.519 20 0 CHADMM Cc1ccc(-c2cccc(C[N-]C(=O)C(F)(F)F)c2)cc1 ZINC000758691848 1130621983 /nfs/dbraw/zinc/62/19/83/1130621983.db2.gz VZFUWIUVFISKRE-UHFFFAOYSA-N -1 1 293.288 3.841 20 0 CHADMM CCC(CC)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000759412702 1130656634 /nfs/dbraw/zinc/65/66/34/1130656634.db2.gz STIGCRFKAYSPTR-UHFFFAOYSA-N -1 1 292.375 3.507 20 0 CHADMM C[C@H]1CC/C(=C\C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000780991491 1130697779 /nfs/dbraw/zinc/69/77/79/1130697779.db2.gz JJBMLUGCBBAMQL-HZAKCSEPSA-N -1 1 265.740 3.731 20 0 CHADMM CC(=O)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000780991764 1130697877 /nfs/dbraw/zinc/69/78/77/1130697877.db2.gz MPUIOBHOBNTTDB-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM Cc1nc2ccc(-c3ccc(C=CC(=O)[O-])cc3)cc2[nH]1 ZINC001235270823 1130731015 /nfs/dbraw/zinc/73/10/15/1130731015.db2.gz QUNALIVQMFXBBM-RUDMXATFSA-N -1 1 278.311 3.636 20 0 CHADMM O=C(OCc1cc(F)ccc1Cl)c1ccc([O-])cc1F ZINC000782297983 1130769393 /nfs/dbraw/zinc/76/93/93/1130769393.db2.gz FRFGFLYSCBLVSY-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM CCOC(=O)c1cnc(-c2cc(Cl)ccc2[O-])c(C)c1 ZINC001245049941 1130773396 /nfs/dbraw/zinc/77/33/96/1130773396.db2.gz YILYOLOTFYWWPZ-UHFFFAOYSA-N -1 1 291.734 3.593 20 0 CHADMM CC(C)(C)CCOCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000814760236 1130909149 /nfs/dbraw/zinc/90/91/49/1130909149.db2.gz GSCKRBSXVFEUJA-UHFFFAOYSA-N -1 1 282.409 3.562 20 0 CHADMM Cc1ccc(F)c(-c2cc(OC(F)F)ccn2)c1[O-] ZINC001236392157 1130926172 /nfs/dbraw/zinc/92/61/72/1130926172.db2.gz LXFOJABATIMIPU-UHFFFAOYSA-N -1 1 269.222 3.503 20 0 CHADMM Cc1ccc(F)c(-c2ncccc2OC(F)(F)F)c1[O-] ZINC001236392821 1130926453 /nfs/dbraw/zinc/92/64/53/1130926453.db2.gz RKEICPPKOQLKTE-UHFFFAOYSA-N -1 1 287.212 3.800 20 0 CHADMM Cc1ccc(F)c(-c2cc(-c3ccncc3)nc(C)n2)c1[O-] ZINC001236391702 1130926777 /nfs/dbraw/zinc/92/67/77/1130926777.db2.gz NNTWQWGBXJCGJO-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM CCCCCc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001135327952 1131044416 /nfs/dbraw/zinc/04/44/16/1131044416.db2.gz WZTQKVPLYXTFFS-UHFFFAOYSA-N -1 1 284.359 3.772 20 0 CHADMM O=C1CCc2cc(-c3c(F)ccc([O-])c3Cl)ccc2O1 ZINC001245832739 1131202292 /nfs/dbraw/zinc/20/22/92/1131202292.db2.gz OERSIZPTEMUDFT-UHFFFAOYSA-N -1 1 292.693 3.703 20 0 CHADMM Cc1ccccc1[C@@H](NC(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001136763283 1131437011 /nfs/dbraw/zinc/43/70/11/1131437011.db2.gz OXRGQVQCKCFUEP-KRWDZBQOSA-N -1 1 299.345 3.721 20 0 CHADMM CCCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000844084695 1131531175 /nfs/dbraw/zinc/53/11/75/1131531175.db2.gz XURDNUQUODCBJJ-MRVPVSSYSA-N -1 1 276.163 3.555 20 0 CHADMM CCOc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001202909681 1131598760 /nfs/dbraw/zinc/59/87/60/1131598760.db2.gz XXLIMQBSZGHYHG-UHFFFAOYSA-N -1 1 290.294 3.574 20 0 CHADMM CC1CCC(C)(CNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC001139961293 1131653129 /nfs/dbraw/zinc/65/31/29/1131653129.db2.gz LCDFHRAIAXOLKP-UHFFFAOYSA-N -1 1 295.810 3.992 20 0 CHADMM C[C@H]1c2ccccc2CCN1Cc1cc(F)c([O-])cc1F ZINC001144647106 1131673261 /nfs/dbraw/zinc/67/32/61/1131673261.db2.gz YSIGRQDKZIIRQH-NSHDSACASA-N -1 1 289.325 3.790 20 0 CHADMM [O-]c1cc(F)c(CN2CCCC[C@H]2C(F)(F)F)cc1F ZINC001144666756 1131676938 /nfs/dbraw/zinc/67/69/38/1131676938.db2.gz OVPHXIWUUPSUMK-LBPRGKRZSA-N -1 1 295.251 3.587 20 0 CHADMM CN(Cc1ccccc1Cl)Cc1cc(F)c([O-])cc1F ZINC001144667077 1131677280 /nfs/dbraw/zinc/67/72/80/1131677280.db2.gz RGFPMMWINZXMTP-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM [O-]c1cc(F)c(CN(Cc2ccccc2)C2CC2)cc1F ZINC001144659242 1131679220 /nfs/dbraw/zinc/67/92/20/1131679220.db2.gz ACBWTTCRBNMLBQ-UHFFFAOYSA-N -1 1 289.325 3.835 20 0 CHADMM S=c1nc2cnccc2c(O[C@H]2CCC=CCCC2)[n-]1 ZINC001227883796 1131759578 /nfs/dbraw/zinc/75/95/78/1131759578.db2.gz DCAXYMMDSHQFRC-NSHDSACASA-N -1 1 287.388 3.955 20 0 CHADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1F ZINC001146546065 1131791605 /nfs/dbraw/zinc/79/16/05/1131791605.db2.gz WYZCROOBKCCYCN-TZMCWYRMSA-N -1 1 299.345 3.550 20 0 CHADMM C[C@@H]1N(C(=O)c2ccc([O-])cc2F)c2ccccc2C1(C)C ZINC001147347109 1131820022 /nfs/dbraw/zinc/82/00/22/1131820022.db2.gz APXDEEDEINNSRD-NSHDSACASA-N -1 1 299.345 3.858 20 0 CHADMM O=C(c1ccccc1)c1ccc([O-])cc1OC1CC=CC1 ZINC001228182447 1131826714 /nfs/dbraw/zinc/82/67/14/1131826714.db2.gz FIBSNIIQTKXWOO-UHFFFAOYSA-N -1 1 280.323 3.721 20 0 CHADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(Cl)ccc1[O-] ZINC001148388593 1131852295 /nfs/dbraw/zinc/85/22/95/1131852295.db2.gz UFAKFZKEFZTSDT-OCCSQVGLSA-N -1 1 293.794 3.744 20 0 CHADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc([O-])cc1F ZINC001148582067 1131865537 /nfs/dbraw/zinc/86/55/37/1131865537.db2.gz UBGJTMIXZSJNNU-NHYWBVRUSA-N -1 1 279.355 3.572 20 0 CHADMM CC[C@@H](C)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148873648 1131873940 /nfs/dbraw/zinc/87/39/40/1131873940.db2.gz ZTPCBVYAPAAOSH-GFCCVEGCSA-N -1 1 269.344 3.588 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@@H](C)CC1 ZINC001228554382 1131909407 /nfs/dbraw/zinc/90/94/07/1131909407.db2.gz IBABZIKZEHBINF-KLPPZKSPSA-N -1 1 278.348 3.648 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC[C@@H](C)C1 ZINC001228553425 1131909625 /nfs/dbraw/zinc/90/96/25/1131909625.db2.gz CAWNXAJHZQKGIN-PWSUYJOCSA-N -1 1 278.348 3.648 20 0 CHADMM CCC[C@@H](Oc1cc([O-])cc(O)c1C(=O)CC)C(C)C ZINC001228557621 1131910282 /nfs/dbraw/zinc/91/02/82/1131910282.db2.gz ZCTPZGBDFIACAU-CQSZACIVSA-N -1 1 280.364 3.894 20 0 CHADMM C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)c(O)c(F)c1 ZINC001140991379 1131978942 /nfs/dbraw/zinc/97/89/42/1131978942.db2.gz PBGNVSPTABEMHQ-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM C[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)[C@@H]1C ZINC001229134216 1132024728 /nfs/dbraw/zinc/02/47/28/1132024728.db2.gz GRKCJOWVVLWFMJ-GYSYKLTISA-N -1 1 288.343 3.702 20 0 CHADMM CC[C@H]1CCCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134200 1132025256 /nfs/dbraw/zinc/02/52/56/1132025256.db2.gz GHEPNKBIXHFUIK-SMDDNHRTSA-N -1 1 288.343 3.846 20 0 CHADMM CO[C@@H](C)CCOc1cc([O-])c(Cl)cc1Cl ZINC001229410311 1132063415 /nfs/dbraw/zinc/06/34/15/1132063415.db2.gz JZLLIGPVAYHVNC-ZETCQYMHSA-N -1 1 265.136 3.503 20 0 CHADMM O=C(C[C@H]1CCc2ccccc21)Nc1cccc(F)c1[O-] ZINC001171632724 1132063735 /nfs/dbraw/zinc/06/37/35/1132063735.db2.gz MLIQITZWWBRNFK-GFCCVEGCSA-N -1 1 285.318 3.590 20 0 CHADMM CCC(=O)[C@H](CC)Oc1cc([O-])c(Cl)cc1Cl ZINC001229406583 1132064427 /nfs/dbraw/zinc/06/44/27/1132064427.db2.gz ZWKHJRIXFWLHQI-NSHDSACASA-N -1 1 277.147 3.836 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)Cc1ccco1 ZINC001229478372 1132072670 /nfs/dbraw/zinc/07/26/70/1132072670.db2.gz VZSCQTBROPCYEL-LLVKDONJSA-N -1 1 274.316 3.588 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1cccnc1 ZINC001229475502 1132074233 /nfs/dbraw/zinc/07/42/33/1132074233.db2.gz XJQDPXKOWPSVNT-LLVKDONJSA-N -1 1 271.316 3.520 20 0 CHADMM O=C([O-])c1cccc(-c2ccc(CN3CC[C@H](F)C3)cc2)c1 ZINC001141350729 1132096057 /nfs/dbraw/zinc/09/60/57/1132096057.db2.gz NPAGYMIERURAAZ-KRWDZBQOSA-N -1 1 299.345 3.596 20 0 CHADMM O=C([O-])c1cccc(-c2ccc(CN3CC[C@@H](F)C3)cc2)c1 ZINC001141350730 1132097201 /nfs/dbraw/zinc/09/72/01/1132097201.db2.gz NPAGYMIERURAAZ-QGZVFWFLSA-N -1 1 299.345 3.596 20 0 CHADMM COc1cccc([O-])c1C(=O)Nc1cccc(C2CCC2)c1 ZINC001141535885 1132156637 /nfs/dbraw/zinc/15/66/37/1132156637.db2.gz NVEMCKSPNPRGDI-UHFFFAOYSA-N -1 1 297.354 3.921 20 0 CHADMM [O-]c1cc(Cl)c(Nc2cccc(CCO)c2)cc1Cl ZINC001203117822 1132326797 /nfs/dbraw/zinc/32/67/97/1132326797.db2.gz WSLYEWHSBPSGDD-UHFFFAOYSA-N -1 1 298.169 3.977 20 0 CHADMM [O-]c1cc(CN2CCc3sccc3C2)ccc1Cl ZINC001231730386 1132346600 /nfs/dbraw/zinc/34/66/00/1132346600.db2.gz DEPHOMUKGMBVHZ-UHFFFAOYSA-N -1 1 279.792 3.665 20 0 CHADMM CN(Cc1ccc(Cl)c([O-])c1)Cc1ccccc1F ZINC001231734214 1132350709 /nfs/dbraw/zinc/35/07/09/1132350709.db2.gz SHGFSGVVOVZLIC-UHFFFAOYSA-N -1 1 279.742 3.817 20 0 CHADMM C/C(=C\C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001142542073 1132405015 /nfs/dbraw/zinc/40/50/15/1132405015.db2.gz LDENTSQIGSDJLI-JXMROGBWSA-N -1 1 289.281 3.712 20 0 CHADMM C[C@@]1(F)CCCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142646747 1132415949 /nfs/dbraw/zinc/41/59/49/1132415949.db2.gz BWMWAKRMRKMMMY-OAHLLOKOSA-N -1 1 299.773 3.752 20 0 CHADMM O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCCCC12CC2 ZINC001142663337 1132420810 /nfs/dbraw/zinc/42/08/10/1132420810.db2.gz LCNNPQDMZQTFAS-UHFFFAOYSA-N -1 1 279.767 3.557 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccnc1C1CC1 ZINC001212736942 1132492026 /nfs/dbraw/zinc/49/20/26/1132492026.db2.gz HEQMXQDKGUYOLP-UHFFFAOYSA-N -1 1 294.310 3.515 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccnc1C1CC1 ZINC001212740592 1132493280 /nfs/dbraw/zinc/49/32/80/1132493280.db2.gz INYKIPZDPXIZEQ-UHFFFAOYSA-N -1 1 262.259 3.686 20 0 CHADMM O=C(Nc1cccc(-c2cccs2)c1)c1ccc([O-])cn1 ZINC001143064934 1132495838 /nfs/dbraw/zinc/49/58/38/1132495838.db2.gz MGAVIDARUDFFSL-UHFFFAOYSA-N -1 1 296.351 3.768 20 0 CHADMM CCCCN(C)Cc1ccc(Cl)c([O-])c1Cl ZINC001232624675 1132496782 /nfs/dbraw/zinc/49/67/82/1132496782.db2.gz SIWJMYXWHODBNM-UHFFFAOYSA-N -1 1 262.180 3.931 20 0 CHADMM CN(CC1CCCCC1)C(=O)c1ccc2cccnc2c1[O-] ZINC001149319794 1132541264 /nfs/dbraw/zinc/54/12/64/1132541264.db2.gz GVMXXKARDSAIFF-UHFFFAOYSA-N -1 1 298.386 3.593 20 0 CHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149645394 1132545466 /nfs/dbraw/zinc/54/54/66/1132545466.db2.gz QGXKDJKDWBAEQP-VXGBXAGGSA-N -1 1 299.370 3.654 20 0 CHADMM CC(C)N(C(=O)c1cc2cccc(O)c2cc1[O-])C(C)C ZINC001149645442 1132546345 /nfs/dbraw/zinc/54/63/45/1132546345.db2.gz SYRCDNOSHIJUSM-UHFFFAOYSA-N -1 1 287.359 3.510 20 0 CHADMM CC1(C)C[C@@H](NC(=O)c2c([O-])cccc2F)c2ccccc21 ZINC001150035969 1132549955 /nfs/dbraw/zinc/54/99/55/1132549955.db2.gz CLUNBAIXBRBMRC-CQSZACIVSA-N -1 1 299.345 3.684 20 0 CHADMM O=c1oc2cc([O-])ccc2cc1Nc1c(F)cccc1F ZINC001173859248 1132562089 /nfs/dbraw/zinc/56/20/89/1132562089.db2.gz KRIDFFMYDRTYJL-UHFFFAOYSA-N -1 1 289.237 3.520 20 0 CHADMM C[C@H]1C[N@@H+](Cc2cc(Cl)ncc2O)Cc2ccccc21 ZINC001233032438 1132565079 /nfs/dbraw/zinc/56/50/79/1132565079.db2.gz KUKMEVPVWPKIDT-NSHDSACASA-N -1 1 288.778 3.560 20 0 CHADMM C[C@H]1CN(Cc2cc(Cl)ncc2[O-])Cc2ccccc21 ZINC001233032438 1132565088 /nfs/dbraw/zinc/56/50/88/1132565088.db2.gz KUKMEVPVWPKIDT-NSHDSACASA-N -1 1 288.778 3.560 20 0 CHADMM Cc1cccc(N)c1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153505907 1132596000 /nfs/dbraw/zinc/59/60/00/1132596000.db2.gz OWPNJGRMANIGGL-UHFFFAOYSA-N -1 1 292.338 3.688 20 0 CHADMM Cc1cc(F)ncc1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153497580 1132596141 /nfs/dbraw/zinc/59/61/41/1132596141.db2.gz DWURKPXGOQBDPI-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM O=C(Nc1cscc1Cl)c1c(F)ccc([O-])c1F ZINC001154001503 1132604312 /nfs/dbraw/zinc/60/43/12/1132604312.db2.gz HEDJIFYFIPJEFP-UHFFFAOYSA-N -1 1 289.690 3.638 20 0 CHADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1OC ZINC001173886003 1132626658 /nfs/dbraw/zinc/62/66/58/1132626658.db2.gz KBFGTUPEWOZKTE-UHFFFAOYSA-N -1 1 297.713 3.946 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2[nH]ccc2c1 ZINC001173939487 1132650532 /nfs/dbraw/zinc/65/05/32/1132650532.db2.gz PLMVGRUPTCHWMN-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cc(F)ccc2F)n1 ZINC001173948577 1132656545 /nfs/dbraw/zinc/65/65/45/1132656545.db2.gz KUHSMPCHRWPGAI-UHFFFAOYSA-N -1 1 269.320 3.857 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001233650125 1132657706 /nfs/dbraw/zinc/65/77/06/1132657706.db2.gz IEIGOCSFUIGGJN-INIZCTEOSA-N -1 1 297.354 3.836 20 0 CHADMM O=C(Cc1ccc(O[C@H]2C=CCC2)cc1)c1ccc([O-])cc1 ZINC001233941590 1132701821 /nfs/dbraw/zinc/70/18/21/1132701821.db2.gz LNXLVPNQJUHOAY-KRWDZBQOSA-N -1 1 294.350 3.915 20 0 CHADMM Cc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174114220 1132730441 /nfs/dbraw/zinc/73/04/41/1132730441.db2.gz PMUVJJFNXWRXOU-UHFFFAOYSA-N -1 1 253.223 3.862 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001174145094 1132747203 /nfs/dbraw/zinc/74/72/03/1132747203.db2.gz FOVLQLKTISUZQA-UHFFFAOYSA-N -1 1 269.222 3.562 20 0 CHADMM Cc1cc(Nc2ccnc(Cl)c2[O-])c(C)s1 ZINC001174419808 1132835244 /nfs/dbraw/zinc/83/52/44/1132835244.db2.gz WDJSZYRDJLOUCU-UHFFFAOYSA-N -1 1 254.742 3.863 20 0 CHADMM COc1ccc(F)c(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001174423974 1132841352 /nfs/dbraw/zinc/84/13/52/1132841352.db2.gz ORXSSPAHWARBHS-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM Nc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001159465532 1132849783 /nfs/dbraw/zinc/84/97/83/1132849783.db2.gz XXSQJXGUABHXBD-UHFFFAOYSA-N -1 1 252.676 3.511 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(N2CCCC2)cc1 ZINC001174527204 1132889100 /nfs/dbraw/zinc/88/91/00/1132889100.db2.gz VCIXYQQGCBYKNJ-UHFFFAOYSA-N -1 1 289.766 3.784 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174506325 1132904433 /nfs/dbraw/zinc/90/44/33/1132904433.db2.gz FNHRUOZEWRWTEB-UHFFFAOYSA-N -1 1 286.722 3.574 20 0 CHADMM CC(C)=CNc1ccc(F)c(Br)c1[O-] ZINC001174559075 1132923368 /nfs/dbraw/zinc/92/33/68/1132923368.db2.gz YJEIEUHEWNPSHA-UHFFFAOYSA-N -1 1 260.106 3.629 20 0 CHADMM [O-]c1cc(F)c(Nc2cccc3[nH]ccc32)cc1F ZINC001174650598 1132949094 /nfs/dbraw/zinc/94/90/94/1132949094.db2.gz OTIMXCMLDNICBR-UHFFFAOYSA-N -1 1 260.243 3.895 20 0 CHADMM Cc1cnc(SCC2CCC(C)(C)CC2)[n-]c1=O ZINC001166227312 1133262936 /nfs/dbraw/zinc/26/29/36/1133262936.db2.gz DSKIJRAFTLIEEX-UHFFFAOYSA-N -1 1 266.410 3.799 20 0 CHADMM [O-]c1cccc(CNCc2cc(O)ccc2Cl)c1Cl ZINC001203497747 1133333901 /nfs/dbraw/zinc/33/39/01/1133333901.db2.gz WFJDLRMFTREFGK-UHFFFAOYSA-N -1 1 298.169 3.694 20 0 CHADMM Cc1nn(C)c2ccc(Nc3c([O-])cc(F)cc3F)cc12 ZINC001204867023 1133494153 /nfs/dbraw/zinc/49/41/53/1133494153.db2.gz ZUCBHGXZPUQKBE-UHFFFAOYSA-N -1 1 289.285 3.609 20 0 CHADMM C[C@H]1Cc2ccccc2N1Cc1ccc([O-])c(F)c1F ZINC001205142753 1133536203 /nfs/dbraw/zinc/53/62/03/1133536203.db2.gz ASNPXWKJLFSGSF-JTQLQIEISA-N -1 1 275.298 3.622 20 0 CHADMM COc1ccc(C)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001209840100 1134076101 /nfs/dbraw/zinc/07/61/01/1134076101.db2.gz FWTMMGGTQWGUDF-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1cc(Cl)cc(C)c1F ZINC001210024213 1134126126 /nfs/dbraw/zinc/12/61/26/1134126126.db2.gz MWZGOJIPIKQQGE-UHFFFAOYSA-N -1 1 298.701 3.696 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc2cccnc2c1 ZINC001210057921 1134140053 /nfs/dbraw/zinc/14/00/53/1134140053.db2.gz MZSIDPSPNVOBEO-UHFFFAOYSA-N -1 1 272.254 3.962 20 0 CHADMM Cc1cc2[nH]ncc2cc1Nc1ccccc1[S-] ZINC001210101301 1134145752 /nfs/dbraw/zinc/14/57/52/1134145752.db2.gz DBBDNMQFWCZDTE-UHFFFAOYSA-N -1 1 255.346 3.904 20 0 CHADMM Cc1c(F)cc([N-]c2nnc(C(C)(C)C)o2)cc1F ZINC001210105427 1134148455 /nfs/dbraw/zinc/14/84/55/1134148455.db2.gz ADVIZCGTTXSGNZ-UHFFFAOYSA-N -1 1 267.279 3.697 20 0 CHADMM Nc1ccc2nn(-c3cccc(Cl)c3[O-])cc2c1Cl ZINC001210223436 1134171332 /nfs/dbraw/zinc/17/13/32/1134171332.db2.gz VULRELGBZHGHKQ-UHFFFAOYSA-N -1 1 294.141 3.620 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc2ccncc21 ZINC001210225006 1134172936 /nfs/dbraw/zinc/17/29/36/1134172936.db2.gz AGTJREIFUXKBJF-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM [O-]c1cc(Nc2cccnc2C(F)(F)F)cc(F)c1F ZINC001210235879 1134175881 /nfs/dbraw/zinc/17/58/81/1134175881.db2.gz ZNORIWOAKKRFHE-UHFFFAOYSA-N -1 1 290.191 3.828 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccnc1C(F)(F)F ZINC001210240851 1134176474 /nfs/dbraw/zinc/17/64/74/1134176474.db2.gz NUNJQXCPBDACMI-UHFFFAOYSA-N -1 1 290.191 3.828 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(OC(F)F)cc1 ZINC001210325419 1134193218 /nfs/dbraw/zinc/19/32/18/1134193218.db2.gz JHZIUCNPBOGVDK-UHFFFAOYSA-N -1 1 286.665 3.786 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1ccc2ocnc2c1 ZINC001210571854 1134253212 /nfs/dbraw/zinc/25/32/12/1134253212.db2.gz JVPDOOHOJIIHQX-UHFFFAOYSA-N -1 1 262.215 3.555 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cccc(O)c1Cl ZINC001210854258 1134312161 /nfs/dbraw/zinc/31/21/61/1134312161.db2.gz KWIQRCSFNKAGJP-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM [O-]c1c(Cl)cc(Nc2cnc(Cl)nc2)cc1Cl ZINC001210923213 1134327927 /nfs/dbraw/zinc/32/79/27/1134327927.db2.gz NDXDUINYZVDXJL-UHFFFAOYSA-N -1 1 290.537 3.886 20 0 CHADMM COc1cc(C)ccc1Nc1c([O-])cc(F)cc1F ZINC001211113831 1134371868 /nfs/dbraw/zinc/37/18/68/1134371868.db2.gz JNFYLSUYNVZZRI-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM COc1cccc(Nc2ccc(Cl)c(Cl)c2[O-])n1 ZINC001211302782 1134406595 /nfs/dbraw/zinc/40/65/95/1134406595.db2.gz MTAAPPBZNPZAPW-UHFFFAOYSA-N -1 1 285.130 3.846 20 0 CHADMM Cc1cc(-c2cc(F)c(O)cc2F)cc2nc[nH]c21 ZINC001211340903 1134409952 /nfs/dbraw/zinc/40/99/52/1134409952.db2.gz ZZNYBQDXFXWFFM-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM Cc1cc(-c2cc(F)c([O-])cc2F)cc2[nH]cnc21 ZINC001211340903 1134409953 /nfs/dbraw/zinc/40/99/53/1134409953.db2.gz ZZNYBQDXFXWFFM-UHFFFAOYSA-N -1 1 260.243 3.522 20 0 CHADMM COc1cc(-c2cc(F)c([O-])cc2F)c(OC)cc1C ZINC001211340702 1134410034 /nfs/dbraw/zinc/41/00/34/1134410034.db2.gz XZDZRAALGYWHDC-UHFFFAOYSA-N -1 1 280.270 3.663 20 0 CHADMM COc1nccc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211339044 1134410068 /nfs/dbraw/zinc/41/00/68/1134410068.db2.gz KNTPIHQDNURPHH-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM CSc1ncc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211340884 1134410392 /nfs/dbraw/zinc/41/03/92/1134410392.db2.gz ZMYHOTDHHGSWHZ-UHFFFAOYSA-N -1 1 267.300 3.763 20 0 CHADMM COc1cc(F)c(F)cc1-c1cc(F)c([O-])cc1F ZINC001211340547 1134410638 /nfs/dbraw/zinc/41/06/38/1134410638.db2.gz WKFWQMOXXCJPTA-UHFFFAOYSA-N -1 1 272.197 3.624 20 0 CHADMM CCOC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211350944 1134411869 /nfs/dbraw/zinc/41/18/69/1134411869.db2.gz ZQKYJGOAXOECCY-UHFFFAOYSA-N -1 1 278.254 3.514 20 0 CHADMM CCCOc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001211380742 1134413376 /nfs/dbraw/zinc/41/33/76/1134413376.db2.gz AHPHFGXEVCODJU-UHFFFAOYSA-N -1 1 278.739 3.973 20 0 CHADMM O=C1CCCc2cc(Nc3c([O-])cc(F)cc3F)ccc21 ZINC001213104131 1134427882 /nfs/dbraw/zinc/42/78/82/1134427882.db2.gz UJTKYTGXVGEVAP-UHFFFAOYSA-N -1 1 289.281 3.933 20 0 CHADMM Cc1nsc([N-]c2cc(F)c(Cl)cc2F)n1 ZINC001213934771 1134498395 /nfs/dbraw/zinc/49/83/95/1134498395.db2.gz BTPDWHQRFGFMJY-UHFFFAOYSA-N -1 1 261.684 3.522 20 0 CHADMM CCOC(=O)c1cnoc1[N-]c1cc(F)cc(C)c1Cl ZINC001214072058 1134508640 /nfs/dbraw/zinc/50/86/40/1134508640.db2.gz ZSTVJEJOZBAIPW-UHFFFAOYSA-N -1 1 298.701 3.696 20 0 CHADMM [O-]c1c(F)cc(Nc2cc(C(F)(F)F)no2)cc1Cl ZINC001214480171 1134542290 /nfs/dbraw/zinc/54/22/90/1134542290.db2.gz NFIWFZZDVPJQNP-UHFFFAOYSA-N -1 1 296.607 3.935 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(F)cc2O)cc1Cl ZINC001214486453 1134543740 /nfs/dbraw/zinc/54/37/40/1134543740.db2.gz ISUFJRVNEFLTII-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM CN(C)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214486804 1134543877 /nfs/dbraw/zinc/54/38/77/1134543877.db2.gz ZUGSNVDHXFZWQQ-UHFFFAOYSA-N -1 1 280.730 3.994 20 0 CHADMM COc1c(C)ccc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001214532191 1134547946 /nfs/dbraw/zinc/54/79/46/1134547946.db2.gz GPKJPWMRDPXSPC-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM COc1c(C)ccc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001214536388 1134548980 /nfs/dbraw/zinc/54/89/80/1134548980.db2.gz GTLPURFRTYAQCX-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM CC(=O)c1cccc(O)c1Nc1c(Cl)ccc([O-])c1F ZINC001214563646 1134552722 /nfs/dbraw/zinc/55/27/22/1134552722.db2.gz LAIXIUAOGIUHQC-UHFFFAOYSA-N -1 1 295.697 3.837 20 0 CHADMM COc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1OC ZINC001214700291 1134566734 /nfs/dbraw/zinc/56/67/34/1134566734.db2.gz WXAFEXSUCRHJDU-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM CCc1nnc([N-]c2c(OC(C)C)ccc(F)c2F)s1 ZINC001215072048 1134596699 /nfs/dbraw/zinc/59/66/99/1134596699.db2.gz JKANKRZBPRZYQZ-UHFFFAOYSA-N -1 1 299.346 3.910 20 0 CHADMM [O-]c1ccc(-c2nc(-c3cccc(F)c3)no2)c(Cl)c1 ZINC001215343540 1134619332 /nfs/dbraw/zinc/61/93/32/1134619332.db2.gz XYDOOKCWTZVRLP-UHFFFAOYSA-N -1 1 290.681 3.902 20 0 CHADMM CC(=O)c1cc(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001215573274 1134644526 /nfs/dbraw/zinc/64/45/26/1134644526.db2.gz ANOJIXUZIJWEQR-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM COc1cccc(Nc2cc(F)c([O-])cc2F)c1C ZINC001215573816 1134644762 /nfs/dbraw/zinc/64/47/62/1134644762.db2.gz QLCNQUAVCRLPQR-UHFFFAOYSA-N -1 1 265.259 3.731 20 0 CHADMM Cc1c2ccc(Nc3cc(F)c([O-])cc3F)cc2nn1C ZINC001215573776 1134645266 /nfs/dbraw/zinc/64/52/66/1134645266.db2.gz PUXLHUTZXFUYRS-UHFFFAOYSA-N -1 1 289.285 3.609 20 0 CHADMM COc1cc(Nc2ccc(F)c(F)c2[O-])cc(C)c1F ZINC001215704415 1134662311 /nfs/dbraw/zinc/66/23/11/1134662311.db2.gz DSJOKLYDHVEOKX-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM COc1cc(F)c(Nc2ccc(F)c(F)c2[O-])cc1OC ZINC001215722336 1134666708 /nfs/dbraw/zinc/66/67/08/1134666708.db2.gz HJSWGQZRLCWJAI-UHFFFAOYSA-N -1 1 299.248 3.570 20 0 CHADMM Cc1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1O ZINC001215742230 1134671509 /nfs/dbraw/zinc/67/15/09/1134671509.db2.gz HMGNHJOQIDLMLL-UHFFFAOYSA-N -1 1 269.222 3.567 20 0 CHADMM CC(C)Oc1cnc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001215783509 1134685885 /nfs/dbraw/zinc/68/58/85/1134685885.db2.gz SBCTYZGMHDBNQK-UHFFFAOYSA-N -1 1 298.264 3.735 20 0 CHADMM CSc1nc(Nc2c(F)cccc2SC)cc(=O)[n-]1 ZINC001215822877 1134694364 /nfs/dbraw/zinc/69/43/64/1134694364.db2.gz IHLVAMRLVUIGSY-UHFFFAOYSA-N -1 1 297.380 3.509 20 0 CHADMM CSc1ccc(F)c([N-]c2noc3cccnc23)c1F ZINC001215837777 1134699281 /nfs/dbraw/zinc/69/92/81/1134699281.db2.gz YVLPMRGAIDGGJC-UHFFFAOYSA-N -1 1 293.298 3.967 20 0 CHADMM Cc1cc(C)cc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001215839025 1134700096 /nfs/dbraw/zinc/70/00/96/1134700096.db2.gz MNEXDFGYPZONIL-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM Cc1cccc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1F ZINC001215838728 1134700174 /nfs/dbraw/zinc/70/01/74/1134700174.db2.gz JQAXPIJNHGDSRT-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM Cc1ccc(-c2ccccc2)cc1[N-]c1nnco1 ZINC001215987388 1134742629 /nfs/dbraw/zinc/74/26/29/1134742629.db2.gz ARZWVMOIPWUDMO-UHFFFAOYSA-N -1 1 251.289 3.789 20 0 CHADMM Cc1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1C ZINC001215988625 1134742925 /nfs/dbraw/zinc/74/29/25/1134742925.db2.gz BBVYRBQEPOAPPH-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM Cc1cc(C)c(N)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001216100678 1134777540 /nfs/dbraw/zinc/77/75/40/1134777540.db2.gz YLOGDOPYFNMYHR-UHFFFAOYSA-N -1 1 264.275 3.613 20 0 CHADMM Cc1c(CO)ccc(Nc2ccc(F)c(F)c2[O-])c1Cl ZINC001216330714 1134857749 /nfs/dbraw/zinc/85/77/49/1134857749.db2.gz YARQNHLTIMUDBQ-UHFFFAOYSA-N -1 1 299.704 3.868 20 0 CHADMM COc1c(O)cccc1Nc1cc([O-])c(Cl)cc1F ZINC001216350756 1134866908 /nfs/dbraw/zinc/86/69/08/1134866908.db2.gz XSKSETZXRJGGMD-UHFFFAOYSA-N -1 1 283.686 3.643 20 0 CHADMM [O-]c1cc(F)cc(F)c1Nc1cc(Cl)ccc1O ZINC001216399327 1134882774 /nfs/dbraw/zinc/88/27/74/1134882774.db2.gz AAQXGRKOHWTIMT-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM CC(C)(O)c1cc(F)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001216492905 1134907300 /nfs/dbraw/zinc/90/73/00/1134907300.db2.gz MYMWCINXQCVYOT-UHFFFAOYSA-N -1 1 297.276 3.781 20 0 CHADMM CC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1F ZINC001216500176 1134910135 /nfs/dbraw/zinc/91/01/35/1134910135.db2.gz JFWGUNIWXLZQJB-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001216501405 1134911540 /nfs/dbraw/zinc/91/15/40/1134911540.db2.gz OVSOVVLHWLHDKJ-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM Cc1c(Cl)cc(NC2=CCCOC2)c([O-])c1Cl ZINC001216510466 1134913198 /nfs/dbraw/zinc/91/31/98/1134913198.db2.gz RHOWQQXFYKUVJW-UHFFFAOYSA-N -1 1 274.147 3.724 20 0 CHADMM [O-]c1c(-c2nc(-c3ccccc3)no2)ccc2cccnc21 ZINC001217141579 1134963794 /nfs/dbraw/zinc/96/37/94/1134963794.db2.gz GONNEMBNZIJXBV-UHFFFAOYSA-N -1 1 289.294 3.657 20 0 CHADMM COC(=O)c1cc(C)c(-c2cc(F)c([O-])cc2F)cc1C ZINC001222082833 1135189887 /nfs/dbraw/zinc/18/98/87/1135189887.db2.gz JANJKNHSKYXMKG-UHFFFAOYSA-N -1 1 292.281 3.741 20 0 CHADMM CC(C)COc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001222083076 1135190248 /nfs/dbraw/zinc/19/02/48/1135190248.db2.gz MHIJRARRQAXLAF-UHFFFAOYSA-N -1 1 279.286 3.767 20 0 CHADMM [O-]c1cc(F)c(-c2ccnc(OC3CCC3)c2)cc1F ZINC001222083181 1135190267 /nfs/dbraw/zinc/19/02/67/1135190267.db2.gz RYBWIQZZULEUMN-UHFFFAOYSA-N -1 1 277.270 3.664 20 0 CHADMM Cc1c2nc[nH]c2ccc1-c1c(F)cc(C(=O)[O-])cc1F ZINC001222403823 1135237622 /nfs/dbraw/zinc/23/76/22/1135237622.db2.gz XLIZNDBPAFAYPC-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM Cc1nc2cccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)c2[nH]1 ZINC001222690443 1135264478 /nfs/dbraw/zinc/26/44/78/1135264478.db2.gz JVFIMQGIUDNQSF-UHFFFAOYSA-N -1 1 292.338 3.655 20 0 CHADMM CCCC[C@@H](CC)C[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225019033 1135503105 /nfs/dbraw/zinc/50/31/05/1135503105.db2.gz PGWWGNICPYUTNX-UONOGXRCSA-N -1 1 294.372 3.956 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCc2cc(F)ccc21 ZINC001225619195 1135596693 /nfs/dbraw/zinc/59/66/93/1135596693.db2.gz NKKQYNHKOPZHNF-INIZCTEOSA-N -1 1 286.302 3.800 20 0 CHADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCc2cc(F)ccc21 ZINC001225619196 1135597419 /nfs/dbraw/zinc/59/74/19/1135597419.db2.gz NKKQYNHKOPZHNF-MRXNPFEDSA-N -1 1 286.302 3.800 20 0 CHADMM CC/C=C(\C)[C@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225673914 1135606833 /nfs/dbraw/zinc/60/68/33/1135606833.db2.gz BJRGNKIUZMDVMT-RNVIBTMRSA-N -1 1 278.348 3.814 20 0 CHADMM CC[C@@H](Oc1cc([O-])cc(O)c1C(C)=O)c1ccccc1 ZINC001225676295 1135607112 /nfs/dbraw/zinc/60/71/12/1135607112.db2.gz HSYCSHJSASELIN-OAHLLOKOSA-N -1 1 286.327 3.831 20 0 CHADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001225674075 1135607146 /nfs/dbraw/zinc/60/71/46/1135607146.db2.gz 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/nfs/dbraw/zinc/03/27/45/519032745.db2.gz PHWHAQJXZNWKFC-UHFFFAOYSA-N -1 1 287.359 3.565 20 0 CHADMM CCC(CC)(CC)CNC(=O)c1c(F)ccc([O-])c1F ZINC000289966788 521393862 /nfs/dbraw/zinc/39/38/62/521393862.db2.gz YVLRSDPXOOMHHT-UHFFFAOYSA-N -1 1 285.334 3.617 20 0 CHADMM C[C@@H](N(C)C(=O)c1cc(Cl)ccc1[O-])C(C)(C)C ZINC000055482248 524980103 /nfs/dbraw/zinc/98/01/03/524980103.db2.gz FRSWGENSINMNDA-SECBINFHSA-N -1 1 269.772 3.552 20 0 CHADMM CSC[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278271798 525635103 /nfs/dbraw/zinc/63/51/03/525635103.db2.gz VOODVSNFFJBRCL-SSDOTTSWSA-N -1 1 284.768 3.562 20 0 CHADMM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000151844167 526074376 /nfs/dbraw/zinc/07/43/76/526074376.db2.gz OKGDOTIVAGQTDM-JTQLQIEISA-N -1 1 296.775 3.581 20 0 CHADMM O=C([O-])C[C@@H]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000299742068 527628392 /nfs/dbraw/zinc/62/83/92/527628392.db2.gz GRRAMGGOALSUEM-LLVKDONJSA-N -1 1 299.773 3.556 20 0 CHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccc(F)c1F 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C[C@H](c1cc(F)ccc1F)N1CCC(CCC(=O)[O-])CC1 ZINC000086755572 601842386 /nfs/dbraw/zinc/84/23/86/601842386.db2.gz CGLFTVHJZWNGLL-LLVKDONJSA-N -1 1 297.345 3.603 20 0 CHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037425161 602030824 /nfs/dbraw/zinc/03/08/24/602030824.db2.gz MLJKYAMUNDHYRG-LBPRGKRZSA-N -1 1 288.174 3.605 20 0 CHADMM C[C@@H](c1ccccc1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000383615403 604749921 /nfs/dbraw/zinc/74/99/21/604749921.db2.gz GRCZDWYSNNLFMU-LBPRGKRZSA-N -1 1 287.334 3.717 20 0 CHADMM C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833546689 605104489 /nfs/dbraw/zinc/10/44/89/605104489.db2.gz KNWWRYKWWXCYBA-NSHDSACASA-N -1 1 298.342 3.652 20 0 CHADMM CCCCN(C(=O)c1ncc(C)cc1[O-])C1CCCCC1 ZINC000573720595 728642724 /nfs/dbraw/zinc/64/27/24/728642724.db2.gz YLZPDGLBWNJFQP-UHFFFAOYSA-N -1 1 290.407 3.671 20 0 CHADMM O=C([O-])CCC1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000086755786 949061720 /nfs/dbraw/zinc/06/17/20/949061720.db2.gz SVEBZUZKNKBIGP-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])[C@H]1CN([C@H]2C=CCCCCC2)Cc2ccccc21 ZINC000314082084 950807543 /nfs/dbraw/zinc/80/75/43/950807543.db2.gz XRBUQXMRJHPLAW-RDJZCZTQSA-N -1 1 285.387 3.559 20 0 CHADMM Cc1cc([C@H](C)NCc2cc(C(=O)[O-])co2)c(C)s1 ZINC000228164677 959997092 /nfs/dbraw/zinc/99/70/92/959997092.db2.gz ZVCVUBQYGMYKSW-VIFPVBQESA-N -1 1 279.361 3.507 20 0 CHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(Cl)s1 ZINC000235215556 960397891 /nfs/dbraw/zinc/39/78/91/960397891.db2.gz KCIOXQBYYYCJGE-SSDOTTSWSA-N -1 1 285.752 3.544 20 0 CHADMM Cc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000235523658 960454032 /nfs/dbraw/zinc/45/40/32/960454032.db2.gz QVPUELXITRVDIN-VIFPVBQESA-N -1 1 279.361 3.507 20 0 CHADMM Cc1cc([C@H](C)NCc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000235523546 960454054 /nfs/dbraw/zinc/45/40/54/960454054.db2.gz GUKMRBLTSXSKIF-VIFPVBQESA-N -1 1 293.388 3.815 20 0 CHADMM O=C([O-])c1ccc(F)c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001231458022 960609486 /nfs/dbraw/zinc/60/94/86/960609486.db2.gz 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/nfs/dbraw/zinc/54/25/54/1134542554.db2.gz NRZDSRBHTGVEFJ-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM C[C@H]1C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CCO1 ZINC001227644743 1135852128 /nfs/dbraw/zinc/85/21/28/1135852128.db2.gz CYGRTSJWFLYFAS-YUMQZZPRSA-N -1 1 277.147 3.645 20 0 CHADMM [O-]c1cc(O[C@@H]2COc3cnccc32)c(Cl)cc1Cl ZINC001229406387 1125554474 /nfs/dbraw/zinc/55/44/74/1125554474.db2.gz SWNFHVQYOHDZKO-CYBMUJFWSA-N -1 1 298.125 3.607 20 0 CHADMM Cc1ccc(C)c(Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445476409 1125602410 /nfs/dbraw/zinc/60/24/10/1125602410.db2.gz CBBNIPOPMLMKNN-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000110325412 1125628670 /nfs/dbraw/zinc/62/86/70/1125628670.db2.gz IHVWLSZZWNMJRR-AWEZNQCLSA-N -1 1 289.762 3.927 20 0 CHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000110325451 1125629583 /nfs/dbraw/zinc/62/95/83/1125629583.db2.gz HSTQQWNLLGUXMJ-JTQLQIEISA-N -1 1 281.783 3.744 20 0 CHADMM O=C1CCc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212007708 1125647372 /nfs/dbraw/zinc/64/73/72/1125647372.db2.gz YWAHGKJEWJKNIP-UHFFFAOYSA-N -1 1 275.254 3.543 20 0 CHADMM Cn1c(Nc2ccc(F)c(F)c2[O-])cc2ccccc21 ZINC001212052494 1125670021 /nfs/dbraw/zinc/67/00/21/1125670021.db2.gz QYACEZABSUOIQL-UHFFFAOYSA-N -1 1 274.270 3.906 20 0 CHADMM CCn1cc(Cl)c(NCc2cccc([O-])c2Cl)n1 ZINC000886368334 1125674043 /nfs/dbraw/zinc/67/40/43/1125674043.db2.gz NNYJBWXRUXRUJH-UHFFFAOYSA-N -1 1 286.162 3.528 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cccc(OC(F)F)c1 ZINC001212059046 1125675340 /nfs/dbraw/zinc/67/53/40/1125675340.db2.gz ZMVBEBACLXKRFK-UHFFFAOYSA-N -1 1 286.665 3.786 20 0 CHADMM CC[C@H](COC(=O)c1c([O-])cc(F)cc1F)CC(F)F ZINC000849718520 1125757016 /nfs/dbraw/zinc/75/70/16/1125757016.db2.gz UFVXTPAUEODKAA-ZETCQYMHSA-N -1 1 294.244 3.509 20 0 CHADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908708592 1127012855 /nfs/dbraw/zinc/01/28/55/1127012855.db2.gz ZTTZUBVBFLKXME-UHFFFAOYSA-N -1 1 298.180 3.529 20 0 CHADMM CCC(CC)C(=O)Nc1cccc([O-])c1Br ZINC000908715646 1127013748 /nfs/dbraw/zinc/01/37/48/1127013748.db2.gz VHTKJKGRQXAURN-UHFFFAOYSA-N -1 1 286.169 3.529 20 0 CHADMM CCC(CC)(CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984038 1127042985 /nfs/dbraw/zinc/04/29/85/1127042985.db2.gz HSWLMNSRGJRFGK-UHFFFAOYSA-N -1 1 271.307 3.825 20 0 CHADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988033 1127043482 /nfs/dbraw/zinc/04/34/82/1127043482.db2.gz RSMCBFSIWWGLHR-DTWKUNHWSA-N -1 1 283.318 3.681 20 0 CHADMM CC1(C)CC=C(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909987897 1127043568 /nfs/dbraw/zinc/04/35/68/1127043568.db2.gz NIYZIJCQFJOQMD-UHFFFAOYSA-N -1 1 281.302 3.745 20 0 CHADMM CCCC[C@H](CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976090 1127042290 /nfs/dbraw/zinc/04/22/90/1127042290.db2.gz XEZHGHBQMFAXJS-VIFPVBQESA-N -1 1 271.307 3.825 20 0 CHADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986062 1127075726 /nfs/dbraw/zinc/07/57/26/1127075726.db2.gz FYPBDTNMIJAGEZ-LURJTMIESA-N -1 1 297.223 3.588 20 0 CHADMM Cc1c(=O)[n-]c(SC(C)C)nc1-c1ccccc1 ZINC000273924241 1127102216 /nfs/dbraw/zinc/10/22/16/1127102216.db2.gz BOYAJJDYKXOGPU-UHFFFAOYSA-N -1 1 260.362 3.658 20 0 CHADMM CN(Cc1ccsc1)Cc1cccc([O-])c1Cl ZINC000646048891 1127158942 /nfs/dbraw/zinc/15/89/42/1127158942.db2.gz CBOIDDRPGMZCKD-UHFFFAOYSA-N -1 1 267.781 3.739 20 0 CHADMM CC[C@@H](C)N(C)Cc1c(Br)ccc([O-])c1F ZINC001238309033 1131189446 /nfs/dbraw/zinc/18/94/46/1131189446.db2.gz INHXGJHXBZQWCM-MRVPVSSYSA-N -1 1 290.176 3.524 20 0 CHADMM CC(C)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726337 1127314405 /nfs/dbraw/zinc/31/44/05/1127314405.db2.gz JZVAHNKQOOCJHA-UHFFFAOYSA-N -1 1 282.318 3.853 20 0 CHADMM [O-]c1ccc(-c2noc([C@@H]3CCCCC3(F)F)n2)cc1F ZINC000296650237 1127680243 /nfs/dbraw/zinc/68/02/43/1127680243.db2.gz DIGOSXVJPOBXFI-VIFPVBQESA-N -1 1 298.264 3.874 20 0 CHADMM O=C(CCC1CCCCC1)Nc1c([O-])cccc1F ZINC000605437817 1127736269 /nfs/dbraw/zinc/73/62/69/1127736269.db2.gz ATJOYVPEBDVAGC-UHFFFAOYSA-N -1 1 265.328 3.830 20 0 CHADMM O=C(CCn1ccc2ccccc21)Nc1c([O-])cccc1F ZINC000605439467 1127736886 /nfs/dbraw/zinc/73/68/86/1127736886.db2.gz IJMIICUIHRDXBI-UHFFFAOYSA-N -1 1 298.317 3.515 20 0 CHADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000608366103 1127862540 /nfs/dbraw/zinc/86/25/40/1127862540.db2.gz NKPQNYHQMGNION-MNOVXSKESA-N -1 1 265.328 3.686 20 0 CHADMM O=C(Nc1c([O-])cccc1F)c1csc2c1CCCC2 ZINC000608367280 1127862883 /nfs/dbraw/zinc/86/28/83/1127862883.db2.gz OHWANXXNZNEAGM-UHFFFAOYSA-N -1 1 291.347 3.724 20 0 CHADMM O=C(C[C@@H]1CCCc2ccccc21)Nc1c([O-])cccc1F ZINC000608365944 1127863052 /nfs/dbraw/zinc/86/30/52/1127863052.db2.gz MAQYZGCHPWYFRJ-ZDUSSCGKSA-N -1 1 299.345 3.980 20 0 CHADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000412804713 1127928132 /nfs/dbraw/zinc/92/81/32/1127928132.db2.gz CQWKDJCHXATJQJ-MWLCHTKSSA-N -1 1 297.345 3.615 20 0 CHADMM CCc1cc(=O)[n-]c(SC[C@@H](C)CC(C)C)n1 ZINC000540809197 1127996144 /nfs/dbraw/zinc/99/61/44/1127996144.db2.gz UXQDBYKTSXCRDS-JTQLQIEISA-N -1 1 254.399 3.519 20 0 CHADMM COc1cc(C(=O)N[C@@H](C)CCC(C)C)cc(Cl)c1[O-] ZINC000545178918 1128003774 /nfs/dbraw/zinc/00/37/74/1128003774.db2.gz MMQHOSDJODBVCR-JTQLQIEISA-N -1 1 299.798 3.609 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)C1CCC1 ZINC001233650112 1128006688 /nfs/dbraw/zinc/00/66/88/1128006688.db2.gz HRQCQXTVXWRFKV-NSHDSACASA-N -1 1 262.349 3.942 20 0 CHADMM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000669940735 1128079310 /nfs/dbraw/zinc/07/93/10/1128079310.db2.gz HXVKZILQBPMTCC-LLVKDONJSA-N -1 1 279.355 3.572 20 0 CHADMM CCCN(CCC)C(=O)c1cc2ccccc2cc1[O-] ZINC000001100592 1128106449 /nfs/dbraw/zinc/10/64/49/1128106449.db2.gz OTVVPJPCWXUEMU-UHFFFAOYSA-N -1 1 271.360 3.808 20 0 CHADMM COc1cc(C(=O)N(C)CCC(C)(C)C)cc(Cl)c1[O-] ZINC000649027027 1128484909 /nfs/dbraw/zinc/48/49/09/1128484909.db2.gz QNVBZIYLSCILRI-UHFFFAOYSA-N -1 1 299.798 3.562 20 0 CHADMM O=C(CSc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000067739016 1128487304 /nfs/dbraw/zinc/48/73/04/1128487304.db2.gz XLHALIAGTQLWEN-UHFFFAOYSA-N -1 1 293.775 3.776 20 0 CHADMM CCC/C=C/C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778447558 1128516400 /nfs/dbraw/zinc/51/64/00/1128516400.db2.gz XOOPUPYXWVGOEB-AATRIKPKSA-N -1 1 298.180 3.758 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000082193091 1117793325 /nfs/dbraw/zinc/79/33/25/1117793325.db2.gz COTYNHFTHHLDHZ-UHFFFAOYSA-N -1 1 279.698 3.745 20 0 CHADMM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cc2ccccc2o1 ZINC000175771847 1117972215 /nfs/dbraw/zinc/97/22/15/1117972215.db2.gz ZGKQMMIGBYTYNF-SSDOTTSWSA-N -1 1 289.228 3.510 20 0 CHADMM CCCN(CC1CCCCC1)C(=O)c1ccc([O-])cc1F ZINC000579543826 1128751543 /nfs/dbraw/zinc/75/15/43/1128751543.db2.gz LRLMCQYOKDMXKW-UHFFFAOYSA-N -1 1 293.382 3.964 20 0 CHADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc([O-])c(F)c1 ZINC000683515881 1118166988 /nfs/dbraw/zinc/16/69/88/1118166988.db2.gz ZJNGCBPRVUUKDT-UHFFFAOYSA-N -1 1 292.335 3.508 20 0 CHADMM COC(=O)c1ccc(F)c(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343537 1118245407 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[O-]c1cc(Nc2cnn(C3CCC3)c2)c(F)cc1Cl ZINC001175757053 1121453384 /nfs/dbraw/zinc/45/33/84/1121453384.db2.gz INJBCRHWUXCCPH-UHFFFAOYSA-N -1 1 281.718 3.850 20 0 CHADMM COc1cccc(-c2cc([N-]c3cscn3)on2)c1 ZINC001175938323 1121488811 /nfs/dbraw/zinc/48/88/11/1121488811.db2.gz UZDWCHAUUQCGFP-UHFFFAOYSA-N -1 1 273.317 3.550 20 0 CHADMM Fc1ccc(-c2cc([N-]c3cscn3)on2)cc1F ZINC001175938013 1121488949 /nfs/dbraw/zinc/48/89/49/1121488949.db2.gz NJWFYBDLBITHTD-UHFFFAOYSA-N -1 1 279.271 3.820 20 0 CHADMM [O-]c1ccc(Cl)c(Nc2cscn2)c1Cl ZINC001175944440 1121492184 /nfs/dbraw/zinc/49/21/84/1121492184.db2.gz UHVVRGSDMQTDEA-UHFFFAOYSA-N -1 1 261.133 3.899 20 0 CHADMM [S-]c1ccc(Cl)cc1Nc1ccc2nn[nH]c2c1 ZINC001176005111 1121520485 /nfs/dbraw/zinc/52/04/85/1121520485.db2.gz ANXSAYKEAHHWFL-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM [S-]c1ccc(Cl)cc1Nc1ccc2n[nH]nc2c1 ZINC001176005111 1121520489 /nfs/dbraw/zinc/52/04/89/1121520489.db2.gz ANXSAYKEAHHWFL-UHFFFAOYSA-N -1 1 276.752 3.644 20 0 CHADMM 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[O-]c1c(F)cc(F)c(Nc2cc(F)cc(F)c2O)c1F ZINC001176673481 1121673570 /nfs/dbraw/zinc/67/35/70/1121673570.db2.gz HRWXDGFTQCBPAC-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C)n1 ZINC001176662603 1121679065 /nfs/dbraw/zinc/67/90/65/1121679065.db2.gz TZBFLCVOOZVTAG-UHFFFAOYSA-N -1 1 268.238 3.565 20 0 CHADMM O=C([N-]c1ccccc1SC(F)(F)F)c1cocn1 ZINC000729355133 1121781569 /nfs/dbraw/zinc/78/15/69/1121781569.db2.gz XZHACRCCJJIKGF-UHFFFAOYSA-N -1 1 288.250 3.539 20 0 CHADMM CCCC[C@H]([N-]C(=O)C(F)(F)F)c1ccc(OC)cc1 ZINC000729372109 1121784531 /nfs/dbraw/zinc/78/45/31/1121784531.db2.gz OJFMDOVXBWWWBE-LBPRGKRZSA-N -1 1 289.297 3.605 20 0 CHADMM Cc1ccccc1[C@H](CC(C)C)[N-]C(=O)C(F)(F)F ZINC000732781326 1121939415 /nfs/dbraw/zinc/93/94/15/1121939415.db2.gz YVNIQLXAEODNEN-LBPRGKRZSA-N -1 1 273.298 3.761 20 0 CHADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822388714 1121954023 /nfs/dbraw/zinc/95/40/23/1121954023.db2.gz WOUIQFPRRKUJIL-RYUDHWBXSA-N -1 1 299.370 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252.676 3.632 20 0 CHADMM Cc1ccnc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc12 ZINC001186225314 1122380537 /nfs/dbraw/zinc/38/05/37/1122380537.db2.gz AIRYGYQJDFHDLJ-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM Clc1ccc(-c2cc([N-]c3cnoc3)on2)cc1 ZINC001203232450 1122380586 /nfs/dbraw/zinc/38/05/86/1122380586.db2.gz VMQRHAXCYBTNOF-UHFFFAOYSA-N -1 1 261.668 3.727 20 0 CHADMM Cc1ccc2c(cccc2NC(=O)c2ccc([O-])cc2F)n1 ZINC001186328522 1122382575 /nfs/dbraw/zinc/38/25/75/1122382575.db2.gz FNGDLGODZBNGRH-UHFFFAOYSA-N -1 1 296.301 3.640 20 0 CHADMM CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([O-])cc1F ZINC001186337891 1122386892 /nfs/dbraw/zinc/38/68/92/1122386892.db2.gz ZIPFFEJQGJWDQB-UKTHLTGXSA-N -1 1 291.366 3.954 20 0 CHADMM C[C@H](NC(=O)Nc1cccc(F)c1[O-])C1CCCCC1 ZINC001186395237 1122389315 /nfs/dbraw/zinc/38/93/15/1122389315.db2.gz WSFXEJJMLZBULY-JTQLQIEISA-N -1 1 280.343 3.622 20 0 CHADMM c1ccc(-c2ncccc2[N-]c2nonc2C2CC2)cc1 ZINC001203649122 1122414472 /nfs/dbraw/zinc/41/44/72/1122414472.db2.gz 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CCC[C@]1(C)CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436881860 1122591375 /nfs/dbraw/zinc/59/13/75/1122591375.db2.gz VKAYIJLDGQWCIP-MRXNPFEDSA-N -1 1 279.355 3.574 20 0 CHADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000436897386 1122593725 /nfs/dbraw/zinc/59/37/25/1122593725.db2.gz YBXMTSXREPXHOX-UHFFFAOYSA-N -1 1 298.317 3.679 20 0 CHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cc2ccccc2o1 ZINC000436950593 1122598749 /nfs/dbraw/zinc/59/87/49/1122598749.db2.gz ZXXICLLVOPWTBI-SNVBAGLBSA-N -1 1 299.301 3.769 20 0 CHADMM CCCc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccn1 ZINC000436954389 1122599020 /nfs/dbraw/zinc/59/90/20/1122599020.db2.gz GGAAQBPKQHTHFR-UHFFFAOYSA-N -1 1 299.305 3.596 20 0 CHADMM CCCCCCNC(=O)Nc1ccc(Cl)cc1[O-] ZINC001191979733 1122625946 /nfs/dbraw/zinc/62/59/46/1122625946.db2.gz DADJVLXJFUAEBS-UHFFFAOYSA-N -1 1 270.760 3.747 20 0 CHADMM O=C(Nc1c(F)cc([O-])cc1F)OC1CCCCC1 ZINC001193635117 1122703171 /nfs/dbraw/zinc/70/31/71/1122703171.db2.gz PZPGMBJLYPMMTG-UHFFFAOYSA-N -1 1 271.263 3.552 20 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280.393 3.643 20 0 CHADMM [O-]c1c(F)cc(F)cc1-c1cccc2cccnc21 ZINC001250640021 1122868481 /nfs/dbraw/zinc/86/84/81/1122868481.db2.gz BQNCJTKPTXPKJS-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000003078248 1122918077 /nfs/dbraw/zinc/91/80/77/1122918077.db2.gz IKERYBRDEXOFBV-UHFFFAOYSA-N -1 1 261.708 3.606 20 0 CHADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1cccc(F)c1 ZINC001197644671 1122962943 /nfs/dbraw/zinc/96/29/43/1122962943.db2.gz UDZLTNCMXIZMPA-UHFFFAOYSA-N -1 1 298.289 3.618 20 0 CHADMM Cc1cc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)on1 ZINC000334240328 1122972558 /nfs/dbraw/zinc/97/25/58/1122972558.db2.gz LWHFIAQWDSXSQW-LBPRGKRZSA-N -1 1 292.766 3.679 20 0 CHADMM Cc1cccc(C)c1NC(=S)Nc1ccc(F)cc1[O-] ZINC001198349718 1122989580 /nfs/dbraw/zinc/98/95/80/1122989580.db2.gz CNMUZFWHJXPWJJ-UHFFFAOYSA-N -1 1 290.363 3.957 20 0 CHADMM CCc1c(Cl)cc(Nc2cnoc2)c([O-])c1Cl ZINC001203244494 1123021300 /nfs/dbraw/zinc/02/13/00/1123021300.db2.gz AMKWDKCFWIDATQ-UHFFFAOYSA-N -1 1 273.119 3.993 20 0 CHADMM CCc1cc(=O)[n-]c(S[C@@H](CC)c2ccccc2)n1 ZINC000188107077 1123043532 /nfs/dbraw/zinc/04/35/32/1123043532.db2.gz TZKYDFLEWJFVSS-ZDUSSCGKSA-N -1 1 274.389 3.576 20 0 CHADMM CC[C@H](C)[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000048866455 1123084020 /nfs/dbraw/zinc/08/40/20/1123084020.db2.gz XUDZHGDNPUGAKM-NWDGAFQWSA-N -1 1 271.360 3.710 20 0 CHADMM Cc1cccc2nc(-c3cnc4ccccc4c3)[n-]c(=O)c12 ZINC000614580328 1123170557 /nfs/dbraw/zinc/17/05/57/1123170557.db2.gz ZDRNANFFRGJYGW-UHFFFAOYSA-N -1 1 287.322 3.859 20 0 CHADMM O=C(Nc1ccc(F)cc1)Nc1cc([O-])c(Cl)cc1F ZINC001202355417 1123200869 /nfs/dbraw/zinc/20/08/69/1123200869.db2.gz PZFIUYRRPZQHEP-UHFFFAOYSA-N -1 1 298.676 3.968 20 0 CHADMM CC(C)(C)CCCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000508353675 1123281726 /nfs/dbraw/zinc/28/17/26/1123281726.db2.gz CKFLFAVEVUQCOR-UHFFFAOYSA-N -1 1 291.420 3.715 20 0 CHADMM CC1(C)CC[C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3cccc1c32 ZINC000776511695 1123320498 /nfs/dbraw/zinc/32/04/98/1123320498.db2.gz LNZLMEHJJDTYAN-BXKDBHETSA-N -1 1 297.320 3.965 20 0 CHADMM O=C(Nc1ccc2ccoc2c1)c1cc(F)ccc1[O-] ZINC000442921246 1123349207 /nfs/dbraw/zinc/34/92/07/1123349207.db2.gz IGIUMLWZBSUAAU-UHFFFAOYSA-N -1 1 271.247 3.530 20 0 CHADMM CC1=C(C)C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000335552043 1123379263 /nfs/dbraw/zinc/37/92/63/1123379263.db2.gz DYZNNQDXQIYGQP-JTQLQIEISA-N -1 1 281.302 3.745 20 0 CHADMM CCc1c(C(C)C)[n-]n(-c2cccc3ncccc32)c1=O ZINC000634591239 1129119468 /nfs/dbraw/zinc/11/94/68/1129119468.db2.gz WSZCFFMSLJKYQL-LBPRGKRZSA-N -1 1 281.359 3.620 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000634617119 1129121464 /nfs/dbraw/zinc/12/14/64/1129121464.db2.gz GMJPWWQIACBURN-KRWDZBQOSA-N -1 1 290.366 3.852 20 0 CHADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885675826 1123480218 /nfs/dbraw/zinc/48/02/18/1123480218.db2.gz CAVOSPFBZPQPAA-HTQZYQBOSA-N -1 1 271.719 3.559 20 0 CHADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676944 1123481231 /nfs/dbraw/zinc/48/12/31/1123481231.db2.gz XQTQOPQCBLXARI-HTQZYQBOSA-N -1 1 273.735 3.805 20 0 CHADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676945 1123481373 /nfs/dbraw/zinc/48/13/73/1123481373.db2.gz XQTQOPQCBLXARI-JGVFFNPUSA-N -1 1 273.735 3.805 20 0 CHADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678958 1123484397 /nfs/dbraw/zinc/48/43/97/1123484397.db2.gz ZHCBJTJUDMKCCU-DTWKUNHWSA-N -1 1 285.746 3.950 20 0 CHADMM CC[C@@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895580047 1123495416 /nfs/dbraw/zinc/49/54/16/1123495416.db2.gz DYDFSFPIHDFPSF-CYBMUJFWSA-N -1 1 299.370 3.656 20 0 CHADMM CCc1ccc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cc1 ZINC000112825746 1123501827 /nfs/dbraw/zinc/50/18/27/1123501827.db2.gz ONQBZIRBBMWNKI-LBPRGKRZSA-N -1 1 273.298 3.625 20 0 CHADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2cccc(Cl)c2)c1Cl ZINC001227111561 1123555836 /nfs/dbraw/zinc/55/58/36/1123555836.db2.gz NOIPFVYOTNBJFO-QMMMGPOBSA-N -1 1 299.157 3.937 20 0 CHADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC2CCCC2)c1 ZINC000857480536 1123602276 /nfs/dbraw/zinc/60/22/76/1123602276.db2.gz JRSSSIGNLNMMSS-CQSZACIVSA-N -1 1 289.419 3.979 20 0 CHADMM O=c1nc(N2CCC(C3CCCCC3)CC2)cc(Cl)[n-]1 ZINC000858353260 1123647355 /nfs/dbraw/zinc/64/73/55/1123647355.db2.gz JYJRZGPWRHSOPR-UHFFFAOYSA-N -1 1 295.814 3.632 20 0 CHADMM CCCC[C@H]1CCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858388799 1123650418 /nfs/dbraw/zinc/65/04/18/1123650418.db2.gz XTJORJGGDQRRLF-UWVGGRQHSA-N -1 1 269.776 3.606 20 0 CHADMM O=c1nc(NC(C2CCCC2)C2CCCC2)cc(Cl)[n-]1 ZINC000858415454 1123652338 /nfs/dbraw/zinc/65/23/38/1123652338.db2.gz WOERFFLTPLAUDG-UHFFFAOYSA-N -1 1 295.814 3.997 20 0 CHADMM CCCn1cc([N-]c2nc(-c3ccccc3C)ns2)cn1 ZINC000858425996 1123652965 /nfs/dbraw/zinc/65/29/65/1123652965.db2.gz PZOBMFGIIFVIOP-UHFFFAOYSA-N -1 1 299.403 3.864 20 0 CHADMM CCCC[C@H](CCC)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858435245 1123653704 /nfs/dbraw/zinc/65/37/04/1123653704.db2.gz CRHOPGYVJUFGDX-VIFPVBQESA-N -1 1 257.765 3.606 20 0 CHADMM CCC1(CC)CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858510114 1123659356 /nfs/dbraw/zinc/65/93/56/1123659356.db2.gz ZGDDZAQLYQZZOB-UHFFFAOYSA-N -1 1 283.803 3.632 20 0 CHADMM CCCCC[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858634647 1123668209 /nfs/dbraw/zinc/66/82/09/1123668209.db2.gz HKKZCYJECVMRAH-NSHDSACASA-N -1 1 283.803 3.775 20 0 CHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)cc1Cl ZINC000336334145 1123762630 /nfs/dbraw/zinc/76/26/30/1123762630.db2.gz FMTUQIRHWWZZNB-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C1CCOCC1 ZINC001227641544 1123836619 /nfs/dbraw/zinc/83/66/19/1123836619.db2.gz PBWUSYIKBGTXGC-MRVPVSSYSA-N -1 1 291.174 3.893 20 0 CHADMM C[C@@H](C1CCC1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000325199700 1123861029 /nfs/dbraw/zinc/86/10/29/1123861029.db2.gz FTJZHTYIFNETLN-LBPRGKRZSA-N -1 1 283.371 3.806 20 0 CHADMM C[C@H](NC(=O)Nc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001202509668 1123878080 /nfs/dbraw/zinc/87/80/80/1123878080.db2.gz NJLVHPQPBJDYJJ-VIFPVBQESA-N -1 1 292.285 3.553 20 0 CHADMM CC(C)(C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481326 1124086088 /nfs/dbraw/zinc/08/60/88/1124086088.db2.gz MXCDWNKVMKNWSV-UHFFFAOYSA-N -1 1 264.300 3.560 20 0 CHADMM [O-]c1ccc(-c2noc(-c3coc4ccccc34)n2)cc1F ZINC000445478993 1124086671 /nfs/dbraw/zinc/08/66/71/1124086671.db2.gz ULLGWQXAZUSWFJ-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM CN(C(=O)c1ccccc1[O-])c1ccc2ccccc2c1 ZINC000121645900 1124098243 /nfs/dbraw/zinc/09/82/43/1124098243.db2.gz CKQBDPAWSMNHER-UHFFFAOYSA-N -1 1 277.323 3.822 20 0 CHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000016147678 1124099264 /nfs/dbraw/zinc/09/92/64/1124099264.db2.gz CULKCIRCHYETCS-UHFFFAOYSA-N -1 1 295.791 3.703 20 0 CHADMM O=c1cc(CC2CCC2)[n-]n1-c1ccc(F)c(Cl)c1 ZINC001245936914 1131255513 /nfs/dbraw/zinc/25/55/13/1131255513.db2.gz MBTACUMASPVLRJ-UHFFFAOYSA-N -1 1 280.730 3.713 20 0 CHADMM CCc1nc(SCSC(C)(C)C)[n-]c(=O)c1C ZINC000871675365 1124625123 /nfs/dbraw/zinc/62/51/23/1124625123.db2.gz GHZJAVIFYUIDRX-UHFFFAOYSA-N -1 1 272.439 3.634 20 0 CHADMM COc1cnc(C=Cc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000821007138 1131318066 /nfs/dbraw/zinc/31/80/66/1131318066.db2.gz DEFPTIGKECSEPA-HYXAFXHYSA-N -1 1 297.141 3.668 20 0 CHADMM CN(CCC(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876398194 1124946026 /nfs/dbraw/zinc/94/60/26/1124946026.db2.gz DQBNQUBCYUTMEN-UHFFFAOYSA-N -1 1 298.814 3.623 20 0 CHADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccc(F)cc2F)sc1C ZINC000450212679 1124946230 /nfs/dbraw/zinc/94/62/30/1124946230.db2.gz DZQPDTIKMPAVOM-ZETCQYMHSA-N -1 1 296.342 3.527 20 0 CHADMM CC(=O)c1[n-]c(=N[C@@H](C)c2cccc(F)c2F)sc1C ZINC000450417753 1125020672 /nfs/dbraw/zinc/02/06/72/1125020672.db2.gz JTAYXCTYLZHCHR-ZETCQYMHSA-N -1 1 296.342 3.527 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCc2sccc21 ZINC000530006476 1125109909 /nfs/dbraw/zinc/10/99/09/1125109909.db2.gz SQFOSEQGHLVXRE-JTQLQIEISA-N -1 1 291.347 3.651 20 0 CHADMM CC(C)(C)C(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530006135 1125109913 /nfs/dbraw/zinc/10/99/13/1125109913.db2.gz PPJAXZJNBPHKGH-UHFFFAOYSA-N -1 1 253.317 3.542 20 0 CHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530005608 1125113327 /nfs/dbraw/zinc/11/33/27/1125113327.db2.gz MYEPVWYLLFOTMQ-NSHDSACASA-N -1 1 295.354 3.598 20 0 CHADMM CC(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000129542466 1125341630 /nfs/dbraw/zinc/34/16/30/1125341630.db2.gz UBOCNODQUXJZMS-UHFFFAOYSA-N -1 1 289.718 3.501 20 0 CHADMM CC(C)[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000734178253 1129298255 /nfs/dbraw/zinc/29/82/55/1129298255.db2.gz NLCVJWCKCZSDOD-GFCCVEGCSA-N -1 1 295.810 3.944 20 0 CHADMM C[C@@H](COC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000735136417 1129332820 /nfs/dbraw/zinc/33/28/20/1129332820.db2.gz MUNPFKBPNGXAKO-JTQLQIEISA-N -1 1 292.281 3.631 20 0 CHADMM CN(C(=O)c1cccc([O-])c1F)C1CCCCCCC1 ZINC001136573218 1131374725 /nfs/dbraw/zinc/37/47/25/1131374725.db2.gz GAHHHUDYWMHKSY-UHFFFAOYSA-N -1 1 279.355 3.716 20 0 CHADMM Cc1cccc2ncnc(-c3c(F)cc([O-])cc3F)c12 ZINC001241118250 1129456913 /nfs/dbraw/zinc/45/69/13/1129456913.db2.gz PKTDUQSTGGFDKU-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CCCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001137546745 1131377375 /nfs/dbraw/zinc/37/73/75/1131377375.db2.gz ZNZGSGIHYZODMV-CQSZACIVSA-N -1 1 279.355 3.620 20 0 CHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000743823318 1129538130 /nfs/dbraw/zinc/53/81/30/1129538130.db2.gz RSYJOCXUZPTFDP-UHFFFAOYSA-N -1 1 291.734 3.615 20 0 CHADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001627954688 1129669253 /nfs/dbraw/zinc/66/92/53/1129669253.db2.gz CFQBJAOOXRIHIB-YPMHNXCESA-N -1 1 279.355 3.620 20 0 CHADMM [O-]c1cc(F)ccc1-c1cccnc1OCC(F)(F)F ZINC001242219634 1129690399 /nfs/dbraw/zinc/69/03/99/1129690399.db2.gz YQXYZVWNFMPLRN-UHFFFAOYSA-N -1 1 287.212 3.534 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1ccc(Cl)c(O)c1 ZINC001212590226 1129727223 /nfs/dbraw/zinc/72/72/23/1129727223.db2.gz AVWVLZPESCYHLP-UHFFFAOYSA-N -1 1 271.103 3.543 20 0 CHADMM CC(C)CON=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000766922745 1129769804 /nfs/dbraw/zinc/76/98/04/1129769804.db2.gz LKNFCKOZIIUGQA-UHFFFAOYSA-N -1 1 268.666 3.753 20 0 CHADMM COc1cc(F)c(-c2cccc(Cl)c2[O-])cc1OC ZINC001242366821 1129798157 /nfs/dbraw/zinc/79/81/57/1129798157.db2.gz DKTIMABYHVDRNN-UHFFFAOYSA-N -1 1 282.698 3.869 20 0 CHADMM Cn1cc(-c2cccc(Cl)c2[O-])c2ccccc2c1=O ZINC001242367054 1129798160 /nfs/dbraw/zinc/79/81/60/1129798160.db2.gz VWAREQDPMMTHCP-UHFFFAOYSA-N -1 1 285.730 3.565 20 0 CHADMM COC(=O)c1ccc(OC)cc1-c1cccc(Cl)c1[O-] ZINC001242366288 1129799105 /nfs/dbraw/zinc/79/91/05/1129799105.db2.gz IMMWUGFTKPVHCC-UHFFFAOYSA-N -1 1 292.718 3.508 20 0 CHADMM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C1CC1 ZINC000901616160 1129939354 /nfs/dbraw/zinc/93/93/54/1129939354.db2.gz LSLKLROVRWORBW-JTQLQIEISA-N -1 1 272.373 3.740 20 0 CHADMM CCCCC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901724549 1129946117 /nfs/dbraw/zinc/94/61/17/1129946117.db2.gz BGBWTQBDUAUXBR-UBHSHLNASA-N -1 1 279.380 3.526 20 0 CHADMM O=C(/C=C\SCc1ccco1)Nc1c([O-])cccc1F ZINC000770863597 1129960666 /nfs/dbraw/zinc/96/06/66/1129960666.db2.gz SHBBNVKZQNYRBE-VURMDHGXSA-N -1 1 293.319 3.510 20 0 CHADMM CCCc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000901942852 1129967503 /nfs/dbraw/zinc/96/75/03/1129967503.db2.gz YBIUWPNWKMNLLA-UHFFFAOYSA-N -1 1 287.359 3.529 20 0 CHADMM Cc1ccc([C@H](C)c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000771211874 1129975110 /nfs/dbraw/zinc/97/51/10/1129975110.db2.gz OXTVZYARTIFGOQ-VIFPVBQESA-N -1 1 288.278 3.635 20 0 CHADMM Cc1ccc([C@@H](NCc2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000902087465 1129978965 /nfs/dbraw/zinc/97/89/65/1129978965.db2.gz KZFXJPLZCSZACV-MRXNPFEDSA-N -1 1 285.343 3.527 20 0 CHADMM CC(C)=CCSCc1cc(=O)oc2cc([O-])ccc12 ZINC000772268494 1130013563 /nfs/dbraw/zinc/01/35/63/1130013563.db2.gz VMJNWUBSBRPQSQ-UHFFFAOYSA-N -1 1 276.357 3.698 20 0 CHADMM COc1cc(-c2cccc([O-])c2Cl)c2cc[nH]c2n1 ZINC001242803509 1130060008 /nfs/dbraw/zinc/06/00/08/1130060008.db2.gz UFLSDJFRAYTHTA-UHFFFAOYSA-N -1 1 274.707 3.598 20 0 CHADMM CCOC(=O)c1nc2cc(-c3ccc(F)cc3C)ccc2[n-]1 ZINC001239741167 1130083876 /nfs/dbraw/zinc/08/38/76/1130083876.db2.gz UASILAQSGRTVAM-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3ccc(F)cc3C)cc2[n-]1 ZINC001239741167 1130083880 /nfs/dbraw/zinc/08/38/80/1130083880.db2.gz UASILAQSGRTVAM-UHFFFAOYSA-N -1 1 298.317 3.854 20 0 CHADMM CCc1ccc(C(=O)N2CCCc3cc(C)ccc32)c([O-])c1 ZINC000786717669 1130112125 /nfs/dbraw/zinc/11/21/25/1130112125.db2.gz HZRRVDGNKJLGDS-UHFFFAOYSA-N -1 1 295.382 3.856 20 0 CHADMM O=C(Nc1c([O-])cccc1F)C1C2CC3CC(C2)CC1C3 ZINC000677945004 1130339924 /nfs/dbraw/zinc/33/99/24/1130339924.db2.gz HWXTWQAKBMYIKH-UHFFFAOYSA-N -1 1 289.350 3.542 20 0 CHADMM [O-]c1ccc(-c2ccc(C(F)(F)F)nc2)c(F)c1F ZINC001243341812 1130382673 /nfs/dbraw/zinc/38/26/73/1130382673.db2.gz DPLVVABNQYONOV-UHFFFAOYSA-N -1 1 275.176 3.751 20 0 CHADMM [O-]c1ccc(-c2ccc3c(c2)NC(=S)C3)c(F)c1F ZINC001243344024 1130389295 /nfs/dbraw/zinc/38/92/95/1130389295.db2.gz WAHNCZIAYWKKLZ-UHFFFAOYSA-N -1 1 277.295 3.633 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc2cc(F)ccc2n1 ZINC001240693369 1130421029 /nfs/dbraw/zinc/42/10/29/1130421029.db2.gz PLQGYPZANXXITC-UHFFFAOYSA-N -1 1 257.239 3.886 20 0 CHADMM Cc1nc2ccc(F)cc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693391 1130421267 /nfs/dbraw/zinc/42/12/67/1130421267.db2.gz PYEAOZLWQCVVQJ-UHFFFAOYSA-N -1 1 272.254 3.589 20 0 CHADMM CC(C)COc1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240693857 1130421663 /nfs/dbraw/zinc/42/16/63/1130421663.db2.gz JWADIJNJQKZQIJ-UHFFFAOYSA-N -1 1 261.296 3.628 20 0 CHADMM COC(=O)c1cccc2nc(-c3cc(F)ccc3[O-])ccc21 ZINC001240696142 1130421968 /nfs/dbraw/zinc/42/19/68/1130421968.db2.gz CUPAQDJAZXSBJO-UHFFFAOYSA-N -1 1 297.285 3.533 20 0 CHADMM C[C@H]1CCCCN1c1cccc(-c2cc(F)ccc2[O-])n1 ZINC001240695776 1130422188 /nfs/dbraw/zinc/42/21/88/1130422188.db2.gz RGFUJXIJYUSROJ-LBPRGKRZSA-N -1 1 286.350 3.972 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(-c2ccccc2)ncn1 ZINC001240696064 1130422480 /nfs/dbraw/zinc/42/24/80/1130422480.db2.gz YFWAFDMUOLXCTM-UHFFFAOYSA-N -1 1 266.275 3.655 20 0 CHADMM CCc1cc(-c2cc(F)ccc2[O-])nc(-c2ccccn2)n1 ZINC001240695586 1130422500 /nfs/dbraw/zinc/42/25/00/1130422500.db2.gz NGBYIVBVTAVXFX-UHFFFAOYSA-N -1 1 295.317 3.613 20 0 CHADMM COc1ccc(-c2nccc(-c3cc(F)ccc3[O-])n2)cc1 ZINC001240695766 1130422935 /nfs/dbraw/zinc/42/29/35/1130422935.db2.gz QTWQVGSQQHCXIH-UHFFFAOYSA-N -1 1 296.301 3.664 20 0 CHADMM CC(C)(C)Oc1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240698668 1130424526 /nfs/dbraw/zinc/42/45/26/1130424526.db2.gz SSRDYHNEDVSOGB-UHFFFAOYSA-N -1 1 261.296 3.771 20 0 CHADMM Cc1csc2ncnc(-c3ccc([O-])c(F)c3)c12 ZINC001240782628 1130468793 /nfs/dbraw/zinc/46/87/93/1130468793.db2.gz DBBSYFBFXOMJHY-UHFFFAOYSA-N -1 1 260.293 3.511 20 0 CHADMM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c2ccccc12 ZINC001241007367 1130562535 /nfs/dbraw/zinc/56/25/35/1130562535.db2.gz XLIXEDQOOPMEPJ-UHFFFAOYSA-N -1 1 298.278 3.618 20 0 CHADMM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c2ccccc12 ZINC001241007367 1130562538 /nfs/dbraw/zinc/56/25/38/1130562538.db2.gz XLIXEDQOOPMEPJ-UHFFFAOYSA-N -1 1 298.278 3.618 20 0 CHADMM CCCCC[C@](C)(CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000780536049 1130682214 /nfs/dbraw/zinc/68/22/14/1130682214.db2.gz MOJQJQQVOLLJRD-HIFRSBDPSA-N -1 1 271.401 3.557 20 0 CHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OC/C=C/Cl)cc1 ZINC000812404163 1130686868 /nfs/dbraw/zinc/68/68/68/1130686868.db2.gz XGYYQCBMYPXSKU-FAFAAHBOSA-N -1 1 295.810 3.789 20 0 CHADMM [O-]c1ccc(Cl)cc1-c1ccnc(-c2cncs2)n1 ZINC001245050482 1130772094 /nfs/dbraw/zinc/77/20/94/1130772094.db2.gz GXGAFPDAQZQDHL-UHFFFAOYSA-N -1 1 289.747 3.626 20 0 CHADMM [O-]c1ccc(Cl)cc1-c1cc(OC(F)F)ccn1 ZINC001245049903 1130773935 /nfs/dbraw/zinc/77/39/35/1130773935.db2.gz WKNTVZXOPPVEJV-UHFFFAOYSA-N -1 1 271.650 3.709 20 0 CHADMM O=C([O-])/C=C/c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235997043 1130827126 /nfs/dbraw/zinc/82/71/26/1130827126.db2.gz NZKKRAYICGJPCR-AATRIKPKSA-N -1 1 294.228 3.574 20 0 CHADMM Cc1ccc(F)c(-c2cccc(C(F)(F)F)n2)c1[O-] ZINC001236388983 1130925379 /nfs/dbraw/zinc/92/53/79/1130925379.db2.gz CSZCWYFFAHSPMY-UHFFFAOYSA-N -1 1 271.213 3.921 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3c(C)cccc32)c1[O-] ZINC001236390980 1130925592 /nfs/dbraw/zinc/92/55/92/1130925592.db2.gz GZEXWXNEBPCERX-UHFFFAOYSA-N -1 1 268.291 3.758 20 0 CHADMM CSc1nc2c(c(-c3c(F)ccc(C)c3[O-])n1)CCC2 ZINC001236389074 1130925736 /nfs/dbraw/zinc/92/57/36/1130925736.db2.gz AKEBLRNHUKSYNO-UHFFFAOYSA-N -1 1 290.363 3.507 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(-c2ccccn2)n1 ZINC001236393841 1130926247 /nfs/dbraw/zinc/92/62/47/1130926247.db2.gz YJUQTBGKZRVKGL-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM Cc1ccc(F)c(-c2ccc(-c3ccccc3)nn2)c1[O-] ZINC001236394571 1130926261 /nfs/dbraw/zinc/92/62/61/1130926261.db2.gz XKMVNNFHVDZHMI-UHFFFAOYSA-N -1 1 280.302 3.964 20 0 CHADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(-c2ccncc2)n1 ZINC001236392478 1130926405 /nfs/dbraw/zinc/92/64/05/1130926405.db2.gz RMBBYENEYFXVGQ-UHFFFAOYSA-N -1 1 295.317 3.667 20 0 CHADMM Cc1ccc(F)c(-c2cnc(-c3ccco3)cn2)c1[O-] ZINC001236394306 1130926718 /nfs/dbraw/zinc/92/67/18/1130926718.db2.gz WJEMGAXABOJPKU-UHFFFAOYSA-N -1 1 270.263 3.557 20 0 CHADMM Cc1cc2c(ncnc2-c2c(F)ccc(C)c2[O-])s1 ZINC001236392565 1130926974 /nfs/dbraw/zinc/92/69/74/1130926974.db2.gz PTYCKLQKBCBLCL-UHFFFAOYSA-N -1 1 274.320 3.820 20 0 CHADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1ccc([O-])c(Cl)c1 ZINC000797946959 1131016631 /nfs/dbraw/zinc/01/66/31/1131016631.db2.gz JZSYHSNRNJNGEF-MRVPVSSYSA-N -1 1 289.709 3.810 20 0 CHADMM CN(Cc1cccc(F)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237984363 1131157515 /nfs/dbraw/zinc/15/75/15/1131157515.db2.gz OGNGDQOVMZRJSE-UHFFFAOYSA-N -1 1 297.732 3.956 20 0 CHADMM C[C@@H]1C[C@@H](C)CN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238150654 1131173811 /nfs/dbraw/zinc/17/38/11/1131173811.db2.gz WJETZBDSARLRNK-NXEZZACHSA-N -1 1 271.763 3.663 20 0 CHADMM C[C@@H]1CCCCN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238143941 1131174358 /nfs/dbraw/zinc/17/43/58/1131174358.db2.gz RLBMNEYUNQKHOS-SNVBAGLBSA-N -1 1 271.763 3.807 20 0 CHADMM CC[C@H]1CCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238151497 1131176055 /nfs/dbraw/zinc/17/60/55/1131176055.db2.gz FZWWOPCJCNUEGZ-JTQLQIEISA-N -1 1 257.736 3.559 20 0 CHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([O-])cc1F ZINC001136019438 1131183362 /nfs/dbraw/zinc/18/33/62/1131183362.db2.gz PKEYDZFASCZKLA-RWMBFGLXSA-N -1 1 291.366 3.620 20 0 CHADMM [O-]c1ccc(F)c(-c2cnc3[nH]ccc3c2F)c1Cl ZINC001245831939 1131201324 /nfs/dbraw/zinc/20/13/24/1131201324.db2.gz SYORGXPBIZDGQG-UHFFFAOYSA-N -1 1 280.661 3.819 20 0 CHADMM [O-]c1ccc(F)c(-c2cnc3[nH]ccc3c2)c1Cl ZINC001245832113 1131201991 /nfs/dbraw/zinc/20/19/91/1131201991.db2.gz VAXJCWCOJAQBEK-UHFFFAOYSA-N -1 1 262.671 3.680 20 0 CHADMM CC(C)(NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC001143689419 1131524677 /nfs/dbraw/zinc/52/46/77/1131524677.db2.gz AWNZDRKXCPDWDW-UHFFFAOYSA-N -1 1 279.355 3.620 20 0 CHADMM CCc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1 ZINC001202940666 1131611566 /nfs/dbraw/zinc/61/15/66/1131611566.db2.gz SNEHAWNWFSDMEI-UHFFFAOYSA-N -1 1 274.295 3.738 20 0 CHADMM CCc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001202944194 1131613799 /nfs/dbraw/zinc/61/37/99/1131613799.db2.gz JPOUNTWIFRHSKG-UHFFFAOYSA-N -1 1 292.285 3.877 20 0 CHADMM CCCC(C)(C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000845358165 1131630688 /nfs/dbraw/zinc/63/06/88/1131630688.db2.gz YJUZLGWRHZGSMN-UHFFFAOYSA-N -1 1 292.375 3.507 20 0 CHADMM C[C@@H]1Cc2ccccc2CN1Cc1c(F)cc([O-])cc1F ZINC001144559960 1131659278 /nfs/dbraw/zinc/65/92/78/1131659278.db2.gz SVFNWKSZOREUKM-LLVKDONJSA-N -1 1 289.325 3.617 20 0 CHADMM CCCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834829198 1131708851 /nfs/dbraw/zinc/70/88/51/1131708851.db2.gz OARJCOOKUONZRU-UHFFFAOYSA-N -1 1 281.783 3.632 20 0 CHADMM CC(C)c1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000232765903 1131783990 /nfs/dbraw/zinc/78/39/90/1131783990.db2.gz YACCFFPWTPQIJT-UHFFFAOYSA-N -1 1 287.334 3.585 20 0 CHADMM CCCCCC(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000232907780 1131785257 /nfs/dbraw/zinc/78/52/57/1131785257.db2.gz VXIYUVDSDYZPSM-UHFFFAOYSA-N -1 1 281.371 3.868 20 0 CHADMM Cc1ccc(C(=O)Nc2ccc(C(=O)C3CC3)cc2)c([O-])c1 ZINC001148505708 1131860377 /nfs/dbraw/zinc/86/03/77/1131860377.db2.gz BQPITSXOYIHWMU-UHFFFAOYSA-N -1 1 295.338 3.546 20 0 CHADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc([O-])cc1F ZINC001148582068 1131864794 /nfs/dbraw/zinc/86/47/94/1131864794.db2.gz UBGJTMIXZSJNNU-XHDPSFHLSA-N -1 1 279.355 3.572 20 0 CHADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc([O-])cc1F ZINC001148582065 1131865466 /nfs/dbraw/zinc/86/54/66/1131865466.db2.gz UBGJTMIXZSJNNU-ABAIWWIYSA-N -1 1 279.355 3.572 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)CCC(C)C ZINC001228554425 1131909167 /nfs/dbraw/zinc/90/91/67/1131909167.db2.gz IPQBDJKTSSZECQ-NSHDSACASA-N -1 1 280.364 3.894 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C1CCCC1 ZINC001228557590 1131910910 /nfs/dbraw/zinc/91/09/10/1131910910.db2.gz YHKWHUWPLSAQCL-SNVBAGLBSA-N -1 1 278.348 3.648 20 0 CHADMM CCN(Cc1cccc(F)c1)Cc1ccc([O-])c(F)c1F ZINC001140892833 1131960255 /nfs/dbraw/zinc/96/02/55/1131960255.db2.gz CEGGNFBQRMESCA-UHFFFAOYSA-N -1 1 295.304 3.832 20 0 CHADMM CCCC(CCC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135174 1132025535 /nfs/dbraw/zinc/02/55/35/1132025535.db2.gz LOXQQYGNBSJZPK-UHFFFAOYSA-N -1 1 276.332 3.846 20 0 CHADMM O=C(CCCc1ccsc1)Nc1cccc(F)c1[O-] ZINC001171632588 1132064142 /nfs/dbraw/zinc/06/41/42/1132064142.db2.gz HEUCDCPSCDOSFE-UHFFFAOYSA-N -1 1 279.336 3.554 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCC(F)(F)C1 ZINC001229475592 1132072536 /nfs/dbraw/zinc/07/25/36/1132072536.db2.gz AINGHZBMFHUIAN-JTQLQIEISA-N -1 1 270.275 3.552 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CC[C@@H](C)CC1 ZINC001229478156 1132073049 /nfs/dbraw/zinc/07/30/49/1132073049.db2.gz TUUUCXJEMHWYRE-BJHJDKERSA-N -1 1 262.349 3.942 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)Cc1ccccc1 ZINC001229474966 1132073171 /nfs/dbraw/zinc/07/31/71/1132073171.db2.gz NTMHQIPMNYMOLT-ZDUSSCGKSA-N -1 1 284.355 3.995 20 0 CHADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@@H]1C ZINC001229474982 1132073812 /nfs/dbraw/zinc/07/38/12/1132073812.db2.gz OBACFXPYVRXYNN-XHDPSFHLSA-N -1 1 262.349 3.942 20 0 CHADMM CCC[C@H](NC(=O)c1cc(Cl)ccc1[O-])C1CCC1 ZINC000325207409 1132151385 /nfs/dbraw/zinc/15/13/85/1132151385.db2.gz JOIPLCJUPSQCRJ-ZDUSSCGKSA-N -1 1 281.783 3.744 20 0 CHADMM C[C@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1CCC1 ZINC001231044694 1132246458 /nfs/dbraw/zinc/24/64/58/1132246458.db2.gz NVZZXNFNHNYGBV-LURJTMIESA-N -1 1 286.162 3.832 20 0 CHADMM C[C@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)C1CCC1 ZINC001231044694 1132246465 /nfs/dbraw/zinc/24/64/65/1132246465.db2.gz NVZZXNFNHNYGBV-LURJTMIESA-N -1 1 286.162 3.832 20 0 CHADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1CCCC[C@@H]1F ZINC001231204749 1132271796 /nfs/dbraw/zinc/27/17/96/1132271796.db2.gz SWUUCLDZFBGLOZ-WCQYABFASA-N -1 1 288.322 3.509 20 0 CHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CC1(C)C ZINC001142506192 1132401463 /nfs/dbraw/zinc/40/14/63/1132401463.db2.gz LAZDZONTTAYNBS-KOLCDFICSA-N -1 1 281.783 3.600 20 0 CHADMM O=C([O-])c1cc(Cl)ccc1CN1CC2(C1)CCCCC2 ZINC001142663293 1132420326 /nfs/dbraw/zinc/42/03/26/1132420326.db2.gz KAZUPTJAJVEVAS-UHFFFAOYSA-N -1 1 293.794 3.804 20 0 CHADMM O=C([N-]Cc1c(Cl)ccc(Cl)c1Cl)C(F)F ZINC001142791897 1132447530 /nfs/dbraw/zinc/44/75/30/1132447530.db2.gz VOBUPPUQCLUYLJ-UHFFFAOYSA-N -1 1 288.508 3.528 20 0 CHADMM CC(C)(C)c1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212721578 1132471623 /nfs/dbraw/zinc/47/16/23/1132471623.db2.gz XLBXYNUKGZEOFF-UHFFFAOYSA-N -1 1 295.342 3.802 20 0 CHADMM Cc1ccc2c(c1)CCN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232938816 1132545161 /nfs/dbraw/zinc/54/51/61/1132545161.db2.gz IEMWAMHGHCYENR-UHFFFAOYSA-N -1 1 289.325 3.537 20 0 CHADMM O=C(Nc1ccsc1)c1cc2cccc(O)c2cc1[O-] ZINC001149645379 1132546288 /nfs/dbraw/zinc/54/62/88/1132546288.db2.gz PPBRBBAJJVSQEA-UHFFFAOYSA-N -1 1 285.324 3.565 20 0 CHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001173851715 1132554871 /nfs/dbraw/zinc/55/48/71/1132554871.db2.gz PNNOONAJLLIRML-UHFFFAOYSA-N -1 1 297.310 3.641 20 0 CHADMM Cc1ccc2[nH]c(C(=O)Nc3cccc(F)c3[O-])cc2c1C ZINC001151771741 1132573433 /nfs/dbraw/zinc/57/34/33/1132573433.db2.gz JSCFVJADIJCBQG-UHFFFAOYSA-N -1 1 298.317 3.882 20 0 CHADMM CC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001173901297 1132605100 /nfs/dbraw/zinc/60/51/00/1132605100.db2.gz SRMPRPGITWJXNT-UHFFFAOYSA-N -1 1 263.243 3.617 20 0 CHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001154886657 1132629431 /nfs/dbraw/zinc/62/94/31/1132629431.db2.gz VHGUAMRHWTZJRT-TZMCWYRMSA-N -1 1 293.382 3.866 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(F)cc2F)cc1F ZINC001173928467 1132641358 /nfs/dbraw/zinc/64/13/58/1132641358.db2.gz YFFAHHPWGOEUSI-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)cc1F ZINC001173927940 1132641444 /nfs/dbraw/zinc/64/14/44/1132641444.db2.gz GZSQBMCRLZQIKR-UHFFFAOYSA-N -1 1 257.186 3.692 20 0 CHADMM CCCC(=O)c1ccc([O-])cc1O[C@H](CC)C(=O)CC ZINC001233650814 1132657540 /nfs/dbraw/zinc/65/75/40/1132657540.db2.gz RZBFPFNZTUYAFG-OAHLLOKOSA-N -1 1 278.348 3.512 20 0 CHADMM Cc1ccc2ccc(C(=O)Nc3ccccc3)c([O-])c2n1 ZINC001155651629 1132662196 /nfs/dbraw/zinc/66/21/96/1132662196.db2.gz HPHZUXUZGHZHMI-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM NC(=O)c1ccccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001173981953 1132687696 /nfs/dbraw/zinc/68/76/96/1132687696.db2.gz YIBDXQFXXBONBR-UHFFFAOYSA-N -1 1 297.141 3.542 20 0 CHADMM NC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001174059861 1132689254 /nfs/dbraw/zinc/68/92/54/1132689254.db2.gz GSLPXCVKHVNQCT-UHFFFAOYSA-N -1 1 297.141 3.542 20 0 CHADMM Cc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001174018676 1132692692 /nfs/dbraw/zinc/69/26/92/1132692692.db2.gz ZYMFERJXLAFZES-UHFFFAOYSA-N -1 1 259.240 3.521 20 0 CHADMM COCc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174095609 1132712245 /nfs/dbraw/zinc/71/22/45/1132712245.db2.gz IEVXBDUBQFNVSI-UHFFFAOYSA-N -1 1 265.259 3.560 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1cncc2ccccc21 ZINC001174100975 1132717450 /nfs/dbraw/zinc/71/74/50/1132717450.db2.gz RODWACXVRYDDME-UHFFFAOYSA-N -1 1 271.707 3.732 20 0 CHADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc2ccccc2c1[O-] ZINC001156994253 1132719180 /nfs/dbraw/zinc/71/91/80/1132719180.db2.gz JWMNITQBWGCSMW-CQSZACIVSA-N -1 1 295.382 3.998 20 0 CHADMM Cc1ccc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001174111510 1132727262 /nfs/dbraw/zinc/72/72/62/1132727262.db2.gz RIMUNQMQFZKXMM-UHFFFAOYSA-N -1 1 285.274 3.690 20 0 CHADMM Cc1nsc([N-]c2cc(F)ccc2C(F)(F)F)n1 ZINC001174484122 1132856603 /nfs/dbraw/zinc/85/66/03/1132856603.db2.gz XQTHWLDOQIRFQE-UHFFFAOYSA-N -1 1 277.246 3.748 20 0 CHADMM [O-]c1c(F)c(F)ccc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174509339 1132906346 /nfs/dbraw/zinc/90/63/46/1132906346.db2.gz NPPWULZRWDRFHW-UHFFFAOYSA-N -1 1 287.269 3.804 20 0 CHADMM COc1cc(Nc2ccc(F)c(F)c2[O-])cc(F)c1F ZINC001174585598 1132917786 /nfs/dbraw/zinc/91/77/86/1132917786.db2.gz BRCJKADZKVKHHJ-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1O ZINC001174544510 1132920726 /nfs/dbraw/zinc/92/07/26/1132920726.db2.gz PKCAMDNTXDQSLK-UHFFFAOYSA-N -1 1 283.686 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ZINC000573213814 604848855 /nfs/dbraw/zinc/84/88/55/604848855.db2.gz STEKYPJZVRVCBE-UHFFFAOYSA-N -1 1 297.354 3.576 20 0 CHADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000833460709 605141313 /nfs/dbraw/zinc/14/13/13/605141313.db2.gz HGTUKSXDVHFMMB-UHFFFAOYSA-N -1 1 293.750 3.656 20 0 CHADMM Cc1cc(CN(C)Cc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000048877681 957467758 /nfs/dbraw/zinc/46/77/58/957467758.db2.gz BRMWDCGJROUVID-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(Cl)s1 ZINC000235190784 960396025 /nfs/dbraw/zinc/39/60/25/960396025.db2.gz SHWHSUDAJZIQKV-SSDOTTSWSA-N -1 1 299.779 3.852 20 0 CHADMM O=C([O-])c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)o1 ZINC001250922537 960639761 /nfs/dbraw/zinc/63/97/61/960639761.db2.gz KNPCPPBMYNGTGB-UHFFFAOYSA-N -1 1 296.204 3.540 20 0 CHADMM O=C([O-])CCC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161385258 967655608 /nfs/dbraw/zinc/65/56/08/967655608.db2.gz NEPKAUMGQBPFID-UHFFFAOYSA-N -1 1 299.773 3.556 20 0 CHADMM O=C([O-])[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1F ZINC000417558543 973960703 /nfs/dbraw/zinc/96/07/03/973960703.db2.gz VKQVVCUHEQIJKU-KRWDZBQOSA-N -1 1 299.345 3.619 20 0 CHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1c(F)cccc1Cl ZINC000530179920 974365094 /nfs/dbraw/zinc/36/50/94/974365094.db2.gz OOUTZHGRYZWHFX-UWVGGRQHSA-N -1 1 299.773 3.553 20 0 CHADMM O=C([O-])[C@@H](c1ccsc1)N1CCC[C@H]1c1cccs1 ZINC000578756249 974861610 /nfs/dbraw/zinc/86/16/10/974861610.db2.gz KDVFXFCNGBINQL-WCQYABFASA-N -1 1 293.413 3.772 20 0 CHADMM C[C@H](c1cccs1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000579843147 974883112 /nfs/dbraw/zinc/88/31/12/974883112.db2.gz WDNQNAHHTKOETP-SECBINFHSA-N -1 1 281.402 3.701 20 0 CHADMM CCC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000902072947 980721247 /nfs/dbraw/zinc/72/12/47/980721247.db2.gz WHWBKKSHYHJWCC-OAHLLOKOSA-N -1 1 287.359 3.917 20 0 CHADMM Cc1cc(CNC2(c3ccccc3C)CCC2)oc1C(=O)[O-] ZINC000902309759 980827563 /nfs/dbraw/zinc/82/75/63/980827563.db2.gz WZUUXMFTOQBHPS-UHFFFAOYSA-N -1 1 299.370 3.764 20 0 CHADMM CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])co1)CC2 ZINC000902440985 980888317 /nfs/dbraw/zinc/88/83/17/980888317.db2.gz DHJJLOOCQYUWNB-KRWDZBQOSA-N -1 1 299.370 3.878 20 0 CHADMM O=C([O-])c1ccc2c(c1)CN(CC[C@@H]1CCCC1(F)F)C2 ZINC000903607456 980988643 /nfs/dbraw/zinc/98/86/43/980988643.db2.gz BVIYHOXUNZXEGQ-AWEZNQCLSA-N -1 1 295.329 3.526 20 0 CHADMM C[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001594536649 986155457 /nfs/dbraw/zinc/15/54/57/986155457.db2.gz FFRHCKHSZHQHTA-RUIZXSTKSA-N -1 1 297.354 3.570 20 0 CHADMM C/C=C/C[C@@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001594686096 987061965 /nfs/dbraw/zinc/06/19/65/987061965.db2.gz MYBZRATTZBMNII-BLDJZWNYSA-N -1 1 294.420 3.581 20 0 CHADMM [O-]c1ccc(CN2CCCC[C@@H]2C(F)(F)F)c(F)c1F ZINC001140894351 1120081274 /nfs/dbraw/zinc/08/12/74/1120081274.db2.gz VLDODPMCIZXYCB-SNVBAGLBSA-N -1 1 295.251 3.587 20 0 CHADMM C[C@H](c1ccco1)N(C)Cc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001593719515 996243842 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1125756503 /nfs/dbraw/zinc/75/65/03/1125756503.db2.gz UFVXTPAUEODKAA-SSDOTTSWSA-N -1 1 294.244 3.509 20 0 CHADMM [O-]c1cccc(-c2cc(OC(F)F)ccn2)c1Cl ZINC001242796971 1130050466 /nfs/dbraw/zinc/05/04/66/1130050466.db2.gz DLIYSRZAFPUUTI-UHFFFAOYSA-N -1 1 271.650 3.709 20 0 CHADMM CCCCc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242801331 1130058425 /nfs/dbraw/zinc/05/84/25/1130058425.db2.gz PDDPXZHBJLMIHO-UHFFFAOYSA-N -1 1 262.740 3.845 20 0 CHADMM Cc1ccc(C)c(NC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001202770603 1126775524 /nfs/dbraw/zinc/77/55/24/1126775524.db2.gz QYZLFZJFVNFPOO-UHFFFAOYSA-N -1 1 292.285 3.931 20 0 CHADMM [O-]c1cc(-c2ccc(O[C@H]3CCOC3)cc2)cc(F)c1F ZINC000904752393 1126867970 /nfs/dbraw/zinc/86/79/70/1126867970.db2.gz DCACGAPROOHBQJ-ZDUSSCGKSA-N -1 1 292.281 3.505 20 0 CHADMM [O-]c1ccc(-c2noc(-c3cccc4[nH]ccc43)n2)cc1F ZINC000568947599 1126909065 /nfs/dbraw/zinc/90/90/65/1126909065.db2.gz XHNFNSKKOMUTRO-UHFFFAOYSA-N -1 1 295.273 3.730 20 0 CHADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(F)cc1 ZINC000193553773 1126969334 /nfs/dbraw/zinc/96/93/34/1126969334.db2.gz GAELPMYWCQZGKD-GFCCVEGCSA-N -1 1 294.351 3.579 20 0 CHADMM CC(C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908714339 1127012825 /nfs/dbraw/zinc/01/28/25/1127012825.db2.gz JYEPBPRGRQSYBC-UHFFFAOYSA-N -1 1 286.169 3.529 20 0 CHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC2(C1)CCCCC2 ZINC000909988523 1127043531 /nfs/dbraw/zinc/04/35/31/1127043531.db2.gz OFBFFJKFQKCCNQ-UHFFFAOYSA-N -1 1 295.329 3.969 20 0 CHADMM CC(=O)CCCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984702 1127041655 /nfs/dbraw/zinc/04/16/55/1127041655.db2.gz RTTDTJSPWDAKQK-UHFFFAOYSA-N -1 1 299.317 3.539 20 0 CHADMM CCC(CC)[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984684 1127041974 /nfs/dbraw/zinc/04/19/74/1127041974.db2.gz RQRJPYHZCLTHRT-MRVPVSSYSA-N -1 1 271.307 3.681 20 0 CHADMM CC1(C)CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000289142628 1127375174 /nfs/dbraw/zinc/37/51/74/1127375174.db2.gz SCWNSHMWPFOBCS-NSHDSACASA-N -1 1 294.738 3.726 20 0 CHADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCCC2 ZINC000629942641 1127383470 /nfs/dbraw/zinc/38/34/70/1127383470.db2.gz JBWRDVKUFVOSJF-LBPRGKRZSA-N -1 1 296.292 3.594 20 0 CHADMM [O-]c1ccc(-c2noc([C@H]3CCCCC3(F)F)n2)c(F)c1 ZINC000296654118 1127680980 /nfs/dbraw/zinc/68/09/80/1127680980.db2.gz DPMFZUNCAKSRML-SNVBAGLBSA-N -1 1 298.264 3.874 20 0 CHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365764482 1127738615 /nfs/dbraw/zinc/73/86/15/1127738615.db2.gz QQDIOHXXRAUYMO-CZUORRHYSA-N -1 1 281.355 3.560 20 0 CHADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1c([O-])cccc1F ZINC000605436550 1127736338 /nfs/dbraw/zinc/73/63/38/1127736338.db2.gz KMVAKFDUEQCCJF-UHFFFAOYSA-N -1 1 298.317 3.502 20 0 CHADMM Cc1ccc2[nH]c(C(=O)Nc3c([O-])cccc3F)cc2c1 ZINC000608367079 1127862610 /nfs/dbraw/zinc/86/26/10/1127862610.db2.gz HUOOZLDGTAQHLR-UHFFFAOYSA-N -1 1 284.290 3.573 20 0 CHADMM C[C@@H]1CCC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000608366301 1127862697 /nfs/dbraw/zinc/86/26/97/1127862697.db2.gz QTMGYLWZZIQANM-MNOVXSKESA-N -1 1 265.328 3.686 20 0 CHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1ccccc1F ZINC000608366266 1127863168 /nfs/dbraw/zinc/86/31/68/1127863168.db2.gz HIEPZDWTYVYNDS-JTQLQIEISA-N -1 1 291.297 3.803 20 0 CHADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457765883 1127891249 /nfs/dbraw/zinc/89/12/49/1127891249.db2.gz WCXWXPBPRIFSHQ-ZJUUUORDSA-N -1 1 282.771 3.596 20 0 CHADMM O=C(N[C@H](C1CC1)C1CCC1)c1cc2ccccc2cc1[O-] ZINC000325383812 1127918419 /nfs/dbraw/zinc/91/84/19/1127918419.db2.gz XPCZRLSMFLAGPV-SFHVURJKSA-N -1 1 295.382 3.854 20 0 CHADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000173379806 1128087648 /nfs/dbraw/zinc/08/76/48/1128087648.db2.gz PXMFTYRTXITPAM-NXEZZACHSA-N -1 1 267.756 3.810 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@@H]3CCCC3(F)F)n2)c(F)c1 ZINC000924006188 1128088729 /nfs/dbraw/zinc/08/87/29/1128088729.db2.gz TYVJJRPLKCNBDJ-QMMMGPOBSA-N -1 1 298.264 3.559 20 0 CHADMM [O-]c1ccc(-c2noc(C[C@@H]3CCCC3(F)F)n2)cc1F ZINC000924009345 1128089070 /nfs/dbraw/zinc/08/90/70/1128089070.db2.gz XVGZINHYJOUEOO-VIFPVBQESA-N -1 1 298.264 3.559 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000928778996 1128248543 /nfs/dbraw/zinc/24/85/43/1128248543.db2.gz CTRODLXGPGHODQ-UHFFFAOYSA-N -1 1 284.262 3.889 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000928785690 1128249402 /nfs/dbraw/zinc/24/94/02/1128249402.db2.gz FMVMUWHUJPIWJU-UHFFFAOYSA-N -1 1 297.717 3.546 20 0 CHADMM CCCCCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)CCC ZINC000495103948 1128231922 /nfs/dbraw/zinc/23/19/22/1128231922.db2.gz WIDODOIMUYPNBK-CQSZACIVSA-N -1 1 292.423 3.917 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)s1 ZINC000032531827 1128391593 /nfs/dbraw/zinc/39/15/93/1128391593.db2.gz WLEQRRQJMNPJIH-UHFFFAOYSA-N -1 1 295.429 3.783 20 0 CHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000124656236 1128445407 /nfs/dbraw/zinc/44/54/07/1128445407.db2.gz ATAQCYHNYKZTPI-JSGCOSHPSA-N -1 1 283.371 3.949 20 0 CHADMM Cc1ccc2c(c1)SCCCN2C(=O)c1ccccc1[O-] ZINC000778277019 1128473022 /nfs/dbraw/zinc/47/30/22/1128473022.db2.gz VFVWBXLQEWXZAC-UHFFFAOYSA-N -1 1 299.395 3.843 20 0 CHADMM CCC[C@@H](C)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001633370719 1128526958 /nfs/dbraw/zinc/52/69/58/1128526958.db2.gz ABWKANKMLBXLLQ-SNVBAGLBSA-N -1 1 269.772 3.602 20 0 CHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000070333899 1128561623 /nfs/dbraw/zinc/56/16/23/1128561623.db2.gz PXLAOPYLYVDHQT-UHFFFAOYSA-N -1 1 292.722 3.698 20 0 CHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H](C)C(C)C ZINC000568210379 1128580190 /nfs/dbraw/zinc/58/01/90/1128580190.db2.gz WOMJLKZEEVZFJT-SNVBAGLBSA-N -1 1 299.798 3.561 20 0 CHADMM Cc1ccsc1CN(C)[C@@H](C(=O)[O-])c1ccccc1C ZINC000572609293 1128646191 /nfs/dbraw/zinc/64/61/91/1128646191.db2.gz JSTRRHJLEWRYNZ-OAHLLOKOSA-N -1 1 289.400 3.623 20 0 CHADMM O=C(OC/C=C/c1ccccc1)c1c([O-])cc(F)cc1F ZINC000063543360 1117776548 /nfs/dbraw/zinc/77/65/48/1117776548.db2.gz YMJPNZPEMNCFPS-QPJJXVBHSA-N -1 1 290.265 3.541 20 0 CHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)s1 ZINC000032531828 1117838918 /nfs/dbraw/zinc/83/89/18/1117838918.db2.gz BACUZTOHSMGKDT-UHFFFAOYSA-N -1 1 295.429 3.783 20 0 CHADMM CC(C)(C)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000109036918 1117875778 /nfs/dbraw/zinc/87/57/78/1117875778.db2.gz QTZNCGYAWZOYCZ-UHFFFAOYSA-N -1 1 268.316 3.893 20 0 CHADMM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000026565397 1117913258 /nfs/dbraw/zinc/91/32/58/1117913258.db2.gz QUXLENQTUFYWFP-UHFFFAOYSA-N -1 1 299.783 3.940 20 0 CHADMM CCC[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000396779583 1117964260 /nfs/dbraw/zinc/96/42/60/1117964260.db2.gz FWWJDANFTSINFP-AWEZNQCLSA-N -1 1 283.371 3.950 20 0 CHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@H](C)c1ccccc1 ZINC000339829555 1117982243 /nfs/dbraw/zinc/98/22/43/1117982243.db2.gz JFECQJODHBFVLX-CQSZACIVSA-N -1 1 298.386 3.791 20 0 CHADMM Cc1oc(CN(C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000048877677 1118081752 /nfs/dbraw/zinc/08/17/52/1118081752.db2.gz VQYLBNUAICZBCP-UHFFFAOYSA-N -1 1 293.750 3.572 20 0 CHADMM CC(C)[C@@H]1CCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000765744535 1118206684 /nfs/dbraw/zinc/20/66/84/1118206684.db2.gz KRLVHGHVNXTKRI-AAEUAGOBSA-N -1 1 285.309 3.625 20 0 CHADMM O=C1CCCc2nc(Nc3cccc(Cl)c3[O-])sc21 ZINC001210215525 1118207397 /nfs/dbraw/zinc/20/73/97/1118207397.db2.gz IKGNQUSNMYVXNY-UHFFFAOYSA-N -1 1 294.763 3.765 20 0 CHADMM O=C(Cc1ccc(F)cc1Cl)Nc1cccc(F)c1[O-] ZINC001648847164 1118252656 /nfs/dbraw/zinc/25/26/56/1118252656.db2.gz KQSZEHAXYZKRSI-UHFFFAOYSA-N -1 1 297.688 3.505 20 0 CHADMM O=C(Nc1cccc(F)c1[O-])/C(F)=C/C1CCCCC1 ZINC001648850061 1118253522 /nfs/dbraw/zinc/25/35/22/1118253522.db2.gz BSZAVPZONJDVTO-XFXZXTDPSA-N -1 1 281.302 3.904 20 0 CHADMM CCC(CC)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000081562077 1118320811 /nfs/dbraw/zinc/32/08/11/1118320811.db2.gz CFNBNSPVUMTZFJ-GFCCVEGCSA-N -1 1 273.298 3.842 20 0 CHADMM CCOc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001211056380 1118450312 /nfs/dbraw/zinc/45/03/12/1118450312.db2.gz UBAVNTVNOKLQJE-UHFFFAOYSA-N 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/nfs/dbraw/zinc/36/38/45/1119363845.db2.gz MZYWSGFJZAPGDJ-UHFFFAOYSA-N -1 1 299.223 3.895 20 0 CHADMM O=C(c1cc(F)ccc1[O-])N1CCCC2(CCCC2)CC1 ZINC000617564094 1128845810 /nfs/dbraw/zinc/84/58/10/1128845810.db2.gz DGPTZNKRUUFSEN-UHFFFAOYSA-N -1 1 291.366 3.718 20 0 CHADMM O=c1cc(C(F)F)nc(SC2CCCCC2)[n-]1 ZINC000685574971 1119634436 /nfs/dbraw/zinc/63/44/36/1119634436.db2.gz RFFUZHZTXMWPBS-UHFFFAOYSA-N -1 1 260.309 3.545 20 0 CHADMM C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232559 1119755462 /nfs/dbraw/zinc/75/54/62/1119755462.db2.gz CQQPBIVRZUUXAB-LDYMZIIASA-N -1 1 275.735 3.793 20 0 CHADMM O=C(/C=C\c1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000255869113 1119815409 /nfs/dbraw/zinc/81/54/09/1119815409.db2.gz GJGWJSOTMWTDBJ-DAXSKMNVSA-N -1 1 291.709 3.837 20 0 CHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(F)cc1[O-] ZINC000613025404 1119851027 /nfs/dbraw/zinc/85/10/27/1119851027.db2.gz BLJSHFWCNATHNX-JSGCOSHPSA-N -1 1 299.292 3.685 20 0 CHADMM N#CCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000190815212 1128883160 /nfs/dbraw/zinc/88/31/60/1128883160.db2.gz BAKPIGLHUFIEJZ-UHFFFAOYSA-N -1 1 290.725 3.863 20 0 CHADMM COCc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000190827418 1128884544 /nfs/dbraw/zinc/88/45/44/1128884544.db2.gz UETZGHSYAAFNHP-UHFFFAOYSA-N -1 1 295.741 3.943 20 0 CHADMM CN(C(=O)c1ccc([O-])cc1F)C(C)(C)c1ccccc1 ZINC000671892195 1120087276 /nfs/dbraw/zinc/08/72/76/1120087276.db2.gz IBALOORJQHXKQP-UHFFFAOYSA-N -1 1 287.334 3.539 20 0 CHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC000182003498 1120113334 /nfs/dbraw/zinc/11/33/34/1120113334.db2.gz CQBOIWATKZNFDM-UHFFFAOYSA-N -1 1 295.260 3.688 20 0 CHADMM Cc1nc2cc(NC(=O)c3ccccc3[O-])ccc2s1 ZINC000781204607 1120172414 /nfs/dbraw/zinc/17/24/14/1120172414.db2.gz ZGDBUSUKHRYQMA-UHFFFAOYSA-N -1 1 284.340 3.563 20 0 CHADMM Cc1c(=O)[n-]c(SC[C@@H]2C[C@@H]2C)nc1-c1ccccc1 ZINC000629174906 1128899611 /nfs/dbraw/zinc/89/96/11/1128899611.db2.gz ZSMZSHNGOCLAJV-GWCFXTLKSA-N -1 1 286.400 3.906 20 0 CHADMM Nc1ccc(Cl)cc1Nc1c([O-])cc(F)cc1F ZINC001212436071 1120202069 /nfs/dbraw/zinc/20/20/69/1120202069.db2.gz VJMMTPQYTZSHRC-UHFFFAOYSA-N -1 1 270.666 3.650 20 0 CHADMM [O-]c1c(F)cc(Nc2c(F)cnc(F)c2F)cc1Cl ZINC001214480214 1120240586 /nfs/dbraw/zinc/24/05/86/1120240586.db2.gz PKQQWOAUIXZPGY-UHFFFAOYSA-N -1 1 292.619 3.741 20 0 CHADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214486644 1120292046 /nfs/dbraw/zinc/29/20/46/1120292046.db2.gz RDRUEHSRSYXQGH-UHFFFAOYSA-N -1 1 267.687 3.937 20 0 CHADMM CCc1c(C)sc2[n-]c(-c3ncc(C)s3)nc(=O)c12 ZINC000416414495 1120330364 /nfs/dbraw/zinc/33/03/64/1120330364.db2.gz ROAUCEIXXOZEQH-UHFFFAOYSA-N -1 1 291.401 3.700 20 0 CHADMM COc1c(F)ccc(Nc2c([O-])cc(F)cc2F)c1F ZINC001212501269 1120404952 /nfs/dbraw/zinc/40/49/52/1120404952.db2.gz SCEWGPRMDPJFMR-UHFFFAOYSA-N -1 1 287.212 3.701 20 0 CHADMM O=C(/C=C\C1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000843830769 1120539242 /nfs/dbraw/zinc/53/92/42/1120539242.db2.gz LQELBENXVGAFEA-YVMONPNESA-N -1 1 265.740 3.731 20 0 CHADMM CC(C)(C)c1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000132871438 1120701896 /nfs/dbraw/zinc/70/18/96/1120701896.db2.gz QSJTVVDZTFVTEZ-UHFFFAOYSA-N -1 1 294.351 3.538 20 0 CHADMM [O-]c1ccc(Cl)c(F)c1CNc1nc2ccccc2o1 ZINC000191513096 1128941503 /nfs/dbraw/zinc/94/15/03/1128941503.db2.gz NAGHIRPVWMAKHA-UHFFFAOYSA-N -1 1 292.697 3.938 20 0 CHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F ZINC000048652449 1120836772 /nfs/dbraw/zinc/83/67/72/1120836772.db2.gz MOGPKXPZLZYZAB-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000048652274 1120836838 /nfs/dbraw/zinc/83/68/38/1120836838.db2.gz NXQBREWRHAKCCE-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM COc1ccc2nc(-c3ccc(C(C)C)cc3)[n-]c(=O)c2c1 ZINC000063580841 1120915968 /nfs/dbraw/zinc/91/59/68/1120915968.db2.gz DJKYZYLDTLIUFF-UHFFFAOYSA-N -1 1 294.354 3.722 20 0 CHADMM Cc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1O ZINC000674016876 1121043101 /nfs/dbraw/zinc/04/31/01/1121043101.db2.gz AVYTUPCYRBEAGN-UHFFFAOYSA-N -1 1 293.322 3.812 20 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297.305 3.788 20 0 CHADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000773463691 1121194089 /nfs/dbraw/zinc/19/40/89/1121194089.db2.gz DXWJITCVBOYMGN-RBSFLKMASA-N -1 1 273.376 3.703 20 0 CHADMM CCOc1ccc(OC)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001175213359 1121227282 /nfs/dbraw/zinc/22/72/82/1121227282.db2.gz DIHCLQCMKYCOEF-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM CC(=O)c1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001175274847 1121248288 /nfs/dbraw/zinc/24/82/88/1121248288.db2.gz FJHDXKJIDWSCSF-UHFFFAOYSA-N -1 1 281.233 3.756 20 0 CHADMM CC(=O)c1ccc(F)c([N-]c2nc(C(C)(C)C)ns2)c1 ZINC001175273587 1121248522 /nfs/dbraw/zinc/24/85/22/1121248522.db2.gz WKIFWDSMDHIZOM-UHFFFAOYSA-N -1 1 293.367 3.921 20 0 CHADMM CCCC[C@@H](CC)CSc1nc(C(=O)OC)c[n-]1 ZINC000432672007 1121265980 /nfs/dbraw/zinc/26/59/80/1121265980.db2.gz XKPMFFYIRNESIG-SNVBAGLBSA-N -1 1 270.398 3.505 20 0 CHADMM [O-]c1cc(Nc2cccc(O)c2F)c(F)cc1Cl ZINC001212550383 1121285816 /nfs/dbraw/zinc/28/58/16/1121285816.db2.gz 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/nfs/dbraw/zinc/67/02/70/1121670270.db2.gz JJKGZMGTIFTYSU-UHFFFAOYSA-N -1 1 272.226 3.665 20 0 CHADMM Cc1cnn(C2CCC2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670548 1121670785 /nfs/dbraw/zinc/67/07/85/1121670785.db2.gz YNBQYYLGBOQTPR-UHFFFAOYSA-N -1 1 297.280 3.783 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2Cl)c1F ZINC001176664383 1121671069 /nfs/dbraw/zinc/67/10/69/1121671069.db2.gz XGFWLHUYUOTPHB-UHFFFAOYSA-N -1 1 274.629 3.602 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2ccc(O)c(F)c2F)c1F ZINC001176670526 1121671254 /nfs/dbraw/zinc/67/12/54/1121671254.db2.gz XNULXVVPTQAKJE-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2cc(-c3ccco3)no2)c1F ZINC001176664739 1121672134 /nfs/dbraw/zinc/67/21/34/1121672134.db2.gz ZOXIFXMXDBPZMP-UHFFFAOYSA-N -1 1 296.204 3.801 20 0 CHADMM [O-]c1c(F)cc(F)c(Nc2c(F)cc(O)cc2F)c1F ZINC001176674734 1121673137 /nfs/dbraw/zinc/67/31/37/1121673137.db2.gz UROORIGJCXMVHM-UHFFFAOYSA-N -1 1 291.175 3.537 20 0 CHADMM Cc1ccc(O)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673760 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C[C@H](CC(F)(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420492788 1122014318 /nfs/dbraw/zinc/01/43/18/1122014318.db2.gz LCYCEWGSQYHQGW-ZCFIWIBFSA-N -1 1 290.216 3.637 20 0 CHADMM C[C@@H](O)c1ccccc1Nc1cc(Cl)c([O-])cc1F ZINC001250026550 1122093726 /nfs/dbraw/zinc/09/37/26/1122093726.db2.gz QKYIYPJSNJYQNR-MRVPVSSYSA-N -1 1 281.714 3.982 20 0 CHADMM CO[C@@H](C)c1nc(=N[C@H](C)CCC2CCCCC2)s[n-]1 ZINC000509541429 1122118558 /nfs/dbraw/zinc/11/85/58/1122118558.db2.gz KAOXGJYTWYQRBY-NEPJUHHUSA-N -1 1 297.468 3.828 20 0 CHADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])CC(C)(C)C ZINC001183054582 1122202946 /nfs/dbraw/zinc/20/29/46/1122202946.db2.gz NYPNEVRVJWSQBB-SNVBAGLBSA-N -1 1 267.344 3.932 20 0 CHADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCC(C2CC2)CC1 ZINC001183218915 1122211095 /nfs/dbraw/zinc/21/10/95/1122211095.db2.gz QRYGXGYIEQVCDG-UHFFFAOYSA-N -1 1 294.782 3.596 20 0 CHADMM CCC[C@H](OC)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632151916 1129040661 /nfs/dbraw/zinc/04/06/61/1129040661.db2.gz VOPNVZUVEUGEBJ-LBPRGKRZSA-N -1 1 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CC(C)OC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001193487076 1122692482 /nfs/dbraw/zinc/69/24/82/1122692482.db2.gz VAKDUTDAXROJCJ-UHFFFAOYSA-N -1 1 264.108 3.656 20 0 CHADMM O=C(Nc1cccc([O-])c1Cl)OC1CCCCC1 ZINC001193632961 1122703046 /nfs/dbraw/zinc/70/30/46/1122703046.db2.gz WXQKDMBEAVPAFO-UHFFFAOYSA-N -1 1 269.728 3.927 20 0 CHADMM CCCCOC(=O)Nc1ccc(Br)cc1[O-] ZINC001193697405 1122712253 /nfs/dbraw/zinc/71/22/53/1122712253.db2.gz VVXFSHIZDZLXPH-UHFFFAOYSA-N -1 1 288.141 3.503 20 0 CHADMM O=C(Nc1ccc([O-])c(F)c1F)Oc1ccc(Cl)cc1 ZINC001194055921 1122743906 /nfs/dbraw/zinc/74/39/06/1122743906.db2.gz PMEGUAIPEIXVGC-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM O=C(Nc1c(F)cc([O-])cc1F)Oc1ccc(Cl)cc1 ZINC001194064592 1122745396 /nfs/dbraw/zinc/74/53/96/1122745396.db2.gz DCQYRJLCZXESGQ-UHFFFAOYSA-N -1 1 299.660 3.935 20 0 CHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194638658 1122787789 /nfs/dbraw/zinc/78/77/89/1122787789.db2.gz KTNMKMRBYNNYDL-UHFFFAOYSA-N -1 1 293.363 3.552 20 0 CHADMM 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O=C1[N-]C(=S)SC1=Cc1ccccc1OCC1CC1 ZINC000049065659 1123074832 /nfs/dbraw/zinc/07/48/32/1123074832.db2.gz UQRVNLKZDQZPPF-GHXNOFRVSA-N -1 1 291.397 3.805 20 0 CHADMM CCc1ccccc1NC(=S)Nc1ccc(F)cc1[O-] ZINC001201145593 1123075396 /nfs/dbraw/zinc/07/53/96/1123075396.db2.gz PKGNTBFHJXOHGA-UHFFFAOYSA-N -1 1 290.363 3.903 20 0 CHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000124731600 1123089247 /nfs/dbraw/zinc/08/92/47/1123089247.db2.gz ZYXAOVKOOWWTEN-SWLSCSKDSA-N -1 1 283.371 3.949 20 0 CHADMM C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000050566639 1123092904 /nfs/dbraw/zinc/09/29/04/1123092904.db2.gz OXRHIPQYTUUXHM-OLZOCXBDSA-N -1 1 283.371 3.806 20 0 CHADMM CCO[C@@H](CC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000665044806 1123138113 /nfs/dbraw/zinc/13/81/13/1123138113.db2.gz QUEBCAWOIQXMQP-LBPRGKRZSA-N -1 1 294.376 3.652 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)Nc1c(F)cc([O-])cc1F ZINC001202375892 1123203439 /nfs/dbraw/zinc/20/34/39/1123203439.db2.gz RJKPBJJJYOAGEX-UHFFFAOYSA-N -1 1 298.676 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MKYOMPHAJQTMGR-UHFFFAOYSA-N -1 1 271.792 3.854 20 0 CHADMM CC(C)C1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858452392 1123655386 /nfs/dbraw/zinc/65/53/86/1123655386.db2.gz JGJGZMSQINVYRP-UHFFFAOYSA-N -1 1 283.803 3.710 20 0 CHADMM CCC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC000858484049 1123657481 /nfs/dbraw/zinc/65/74/81/1123657481.db2.gz HLXATVQRPLLPAC-UHFFFAOYSA-N -1 1 269.776 3.608 20 0 CHADMM C[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)CC(C)(C)C ZINC000858508492 1123659517 /nfs/dbraw/zinc/65/95/17/1123659517.db2.gz OFUBXBLRHGGZMD-VIFPVBQESA-N -1 1 271.792 3.710 20 0 CHADMM O=c1nc(N[C@@H](C2CCC2)C2CCCCC2)cc(Cl)[n-]1 ZINC000858600918 1123666650 /nfs/dbraw/zinc/66/66/50/1123666650.db2.gz VLKXTZIDCJBNJL-CQSZACIVSA-N -1 1 295.814 3.997 20 0 CHADMM CC(C)(C)C[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858633301 1123667397 /nfs/dbraw/zinc/66/73/97/1123667397.db2.gz YYTDYEHWCQTFQY-SNVBAGLBSA-N -1 1 297.830 3.877 20 0 CHADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000281124915 1123681333 /nfs/dbraw/zinc/68/13/33/1123681333.db2.gz IJBURIUCRXGKGH-ZYHUDNBSSA-N -1 1 297.782 3.579 20 0 CHADMM O=C(Nc1ccc(Cl)cc1)c1c(F)ccc([O-])c1F ZINC000336269971 1123754439 /nfs/dbraw/zinc/75/44/39/1123754439.db2.gz ZEPHGZZOCYXFMZ-UHFFFAOYSA-N -1 1 283.661 3.576 20 0 CHADMM [O-]c1cc(Cl)c(OC[C@H]2CCCCO2)cc1Cl ZINC001227642069 1123836798 /nfs/dbraw/zinc/83/67/98/1123836798.db2.gz VJAPOKXDSQKWFM-MRVPVSSYSA-N -1 1 277.147 3.647 20 0 CHADMM CSCCCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000863008590 1123839863 /nfs/dbraw/zinc/83/98/63/1123839863.db2.gz XOQGEWXEIRJQOS-UHFFFAOYSA-N -1 1 285.384 3.783 20 0 CHADMM Cc1nc(SCC=C(Cl)Cl)[n-]c(=O)c1C1CC1 ZINC000865373132 1123975906 /nfs/dbraw/zinc/97/59/06/1123975906.db2.gz HCCKXVWUFSPRAL-UHFFFAOYSA-N -1 1 291.203 3.779 20 0 CHADMM CC(C)(C)c1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000302413580 1123967511 /nfs/dbraw/zinc/96/75/11/1123967511.db2.gz IGTZHKOPCVSPNX-UHFFFAOYSA-N -1 1 299.403 3.765 20 0 CHADMM CCc1nsc([N-]c2cnn(-c3ccc(C)cc3C)c2)n1 ZINC000302729339 1123980000 /nfs/dbraw/zinc/98/00/00/1123980000.db2.gz UTNIBGDWDAUPSA-UHFFFAOYSA-N -1 1 299.403 3.647 20 0 CHADMM CCc1cccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479289 1124086548 /nfs/dbraw/zinc/08/65/48/1124086548.db2.gz VGYAATRDJDQVLH-UHFFFAOYSA-N -1 1 298.317 3.735 20 0 CHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1F ZINC000445477615 1124086576 /nfs/dbraw/zinc/08/65/76/1124086576.db2.gz DKUGFBAQOBUCRT-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM C[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445481115 1124086646 /nfs/dbraw/zinc/08/66/46/1124086646.db2.gz OMHXIPFKAJJUCP-KOLCDFICSA-N -1 1 276.311 3.875 20 0 CHADMM Cc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)cc1F ZINC001245932766 1131254130 /nfs/dbraw/zinc/25/41/30/1131254130.db2.gz QIRQNKFCMRMNSN-UHFFFAOYSA-N -1 1 262.328 3.614 20 0 CHADMM CCCc1nc(-c2nc3ccc(C)c(C)c3c(=O)[n-]2)co1 ZINC000871602140 1124619621 /nfs/dbraw/zinc/61/96/21/1124619621.db2.gz PWYRPKLSYHYYNH-UHFFFAOYSA-N -1 1 283.331 3.560 20 0 CHADMM C[C@H](c1noc(Cc2ccc([O-])c(Cl)c2)n1)C1CC1 ZINC000632089861 1124626330 /nfs/dbraw/zinc/62/63/30/1124626330.db2.gz PCYALHLFHALNIU-QMMMGPOBSA-N -1 1 278.739 3.533 20 0 CHADMM O=C(Nc1ccccc1SC(F)F)c1ccccc1[O-] ZINC000019838345 1124747138 /nfs/dbraw/zinc/74/71/38/1124747138.db2.gz GFAADCPOULZSNO-UHFFFAOYSA-N -1 1 295.310 3.959 20 0 CHADMM Cc1cc(NC(=O)c2ccccc2[O-])c2cccnc2c1C ZINC001137104444 1124932508 /nfs/dbraw/zinc/93/25/08/1124932508.db2.gz LHKBMXGQVWFSBI-UHFFFAOYSA-N -1 1 292.338 3.810 20 0 CHADMM Cc1nc2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cc2[nH]1 ZINC001239346139 1131320060 /nfs/dbraw/zinc/32/00/60/1131320060.db2.gz MIBFOOABYABWFJ-UHFFFAOYSA-N -1 1 288.253 3.515 20 0 CHADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000450295102 1124973943 /nfs/dbraw/zinc/97/39/43/1124973943.db2.gz UYANYSBZZNOUJW-XPTSAGLGSA-N -1 1 267.756 3.810 20 0 CHADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(C(C)C)n1 ZINC000530007023 1125109575 /nfs/dbraw/zinc/10/95/75/1125109575.db2.gz YNNURGDASKOOQC-UHFFFAOYSA-N -1 1 288.322 3.610 20 0 CHADMM C[C@@H](CC(C)(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005948 1125113228 /nfs/dbraw/zinc/11/32/28/1125113228.db2.gz OWPUJBSODQPWFZ-VIFPVBQESA-N -1 1 253.317 3.542 20 0 CHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cccc(Cl)c1F ZINC000530179014 1125130390 /nfs/dbraw/zinc/13/03/90/1125130390.db2.gz KNZGYVKSSLLTNX-UWVGGRQHSA-N -1 1 299.773 3.553 20 0 CHADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1cccs1 ZINC001228560336 1125255770 /nfs/dbraw/zinc/25/57/70/1125255770.db2.gz NKKIEFBVVJLPJZ-SECBINFHSA-N -1 1 292.356 3.892 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])cc2F)cc(C)c1O ZINC001211916795 1125385854 /nfs/dbraw/zinc/38/58/54/1125385854.db2.gz HUUUQYLKRHYUHR-UHFFFAOYSA-N -1 1 265.259 3.736 20 0 CHADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001137187608 1125397841 /nfs/dbraw/zinc/39/78/41/1125397841.db2.gz DEBRZTOFDXLMOA-WFASDCNBSA-N -1 1 299.345 3.550 20 0 CHADMM Cc1ccc(C2CC2)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000622467580 1129261583 /nfs/dbraw/zinc/26/15/83/1129261583.db2.gz ZFNLANSDOIHNHE-UHFFFAOYSA-N -1 1 285.318 3.969 20 0 CHADMM C[C@H](COC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000735136419 1129333272 /nfs/dbraw/zinc/33/32/72/1129333272.db2.gz MUNPFKBPNGXAKO-SNVBAGLBSA-N -1 1 292.281 3.631 20 0 CHADMM CCOC(=O)c1nc2cc(-c3cccc(F)c3)ccc2[n-]1 ZINC001239537096 1131372477 /nfs/dbraw/zinc/37/24/77/1131372477.db2.gz LKJFMGUFZUQYMR-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM CCOC(=O)c1nc2ccc(-c3cccc(F)c3)cc2[n-]1 ZINC001239537096 1131372482 /nfs/dbraw/zinc/37/24/82/1131372482.db2.gz LKJFMGUFZUQYMR-UHFFFAOYSA-N -1 1 284.290 3.546 20 0 CHADMM CC1(c2ccc(-c3c(F)cc([O-])cc3F)cc2)COC1 ZINC001241120767 1129457871 /nfs/dbraw/zinc/45/78/71/1129457871.db2.gz KCFYBYROQOEPMX-UHFFFAOYSA-N -1 1 276.282 3.625 20 0 CHADMM [O-]c1cc(F)c(-c2cccc3scnc32)c(F)c1 ZINC001241120693 1129458174 /nfs/dbraw/zinc/45/81/74/1129458174.db2.gz HBXWANHIIUAKKZ-UHFFFAOYSA-N -1 1 263.268 3.947 20 0 CHADMM CSc1ccc([O-])c(C(=O)N(C)c2cccc(C)c2)c1 ZINC001136597663 1131387846 /nfs/dbraw/zinc/38/78/46/1131387846.db2.gz DQCWQULAWKPMNO-UHFFFAOYSA-N -1 1 287.384 3.699 20 0 CHADMM [O-]c1ccc(-c2nccc3cc[nH]c32)cc1C(F)(F)F ZINC001242148322 1129663608 /nfs/dbraw/zinc/66/36/08/1129663608.db2.gz SXOAKRMPKFEDJS-UHFFFAOYSA-N -1 1 278.233 3.954 20 0 CHADMM C[C@H](CC1CCC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001169251117 1129713340 /nfs/dbraw/zinc/71/33/40/1129713340.db2.gz NAEYFEOPKMSRNL-GFCCVEGCSA-N -1 1 283.371 3.854 20 0 CHADMM CC(C)CCN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652388700 1129764448 /nfs/dbraw/zinc/76/44/48/1129764448.db2.gz VEECVPBAJMPYJE-CYBMUJFWSA-N -1 1 287.762 3.583 20 0 CHADMM CCc1ccc(N(CC)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767301056 1129785143 /nfs/dbraw/zinc/78/51/43/1129785143.db2.gz LVHCHKLNPFBLPC-UHFFFAOYSA-N -1 1 287.334 3.760 20 0 CHADMM COc1ccc2cccnc2c1-c1cccc(F)c1[O-] ZINC001242350708 1129791568 /nfs/dbraw/zinc/79/15/68/1129791568.db2.gz IZFSOYOPTWMYRR-UHFFFAOYSA-N -1 1 269.275 3.755 20 0 CHADMM Cc1cccc(C)c1CNC(=O)c1c([O-])cccc1Cl ZINC000768286356 1129849854 /nfs/dbraw/zinc/84/98/54/1129849854.db2.gz PGWGVDBQMDERGR-UHFFFAOYSA-N -1 1 289.762 3.592 20 0 CHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cncc(F)c1Cl ZINC000900673991 1129891694 /nfs/dbraw/zinc/89/16/94/1129891694.db2.gz FQVFSJGXDJXHDP-UHFFFAOYSA-N -1 1 297.717 3.546 20 0 CHADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1c([O-])cccc1Cl ZINC000769668716 1129920910 /nfs/dbraw/zinc/92/09/10/1129920910.db2.gz SSMMNZNIBFIDET-CMPLNLGQSA-N -1 1 281.783 3.696 20 0 CHADMM C[C@@H](c1cccs1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769708875 1129921471 /nfs/dbraw/zinc/92/14/71/1129921471.db2.gz FVZGRWOOCVSSRC-VIFPVBQESA-N -1 1 295.791 3.940 20 0 CHADMM O=C(/C=C\c1ccccc1Cl)Nc1c([O-])cccc1F ZINC000770863590 1129960256 /nfs/dbraw/zinc/96/02/56/1129960256.db2.gz RXLHVVDTSRVRBD-HJWRWDBZSA-N -1 1 291.709 3.837 20 0 CHADMM CCc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000771223991 1129975161 /nfs/dbraw/zinc/97/51/61/1129975161.db2.gz NMAOQOWUJHRGDH-UHFFFAOYSA-N -1 1 290.319 3.872 20 0 CHADMM CC[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(C)cc1 ZINC000902214825 1129989580 /nfs/dbraw/zinc/98/95/80/1129989580.db2.gz SIKDVVRVIIHWPU-DVQDXYAYSA-N -1 1 299.370 3.927 20 0 CHADMM O=C([O-])c1coc(CN[C@H](CC2CCC2)c2ccccc2)c1 ZINC000902395957 1130006030 /nfs/dbraw/zinc/00/60/30/1130006030.db2.gz GYYRYRMEBVSNFD-QGZVFWFLSA-N -1 1 299.370 3.999 20 0 CHADMM c1ccc(-c2cccc(-c3ccc(-c4nnn[n-]4)nc3)c2)cc1 ZINC001239651684 1130033521 /nfs/dbraw/zinc/03/35/21/1130033521.db2.gz LRDDBEJCTHDIEN-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM c1ccc(-c2cccc(-c3ccc(-c4nn[n-]n4)nc3)c2)cc1 ZINC001239651684 1130033525 /nfs/dbraw/zinc/03/35/25/1130033525.db2.gz LRDDBEJCTHDIEN-UHFFFAOYSA-N -1 1 299.337 3.596 20 0 CHADMM CC(C)Oc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242799592 1130051342 /nfs/dbraw/zinc/05/13/42/1130051342.db2.gz TVJYTWMBFQNDSO-UHFFFAOYSA-N -1 1 263.724 3.895 20 0 CHADMM Nc1nc2ccc(-c3cccc([O-])c3Cl)cc2s1 ZINC001242802240 1130056105 /nfs/dbraw/zinc/05/61/05/1130056105.db2.gz CBEPGFBUBGDSGA-UHFFFAOYSA-N -1 1 276.748 3.905 20 0 CHADMM COC(OC)c1cc(C)cnc1-c1cccc([O-])c1Cl ZINC001242801866 1130057772 /nfs/dbraw/zinc/05/77/72/1130057772.db2.gz ZDZQPOHZDGGHII-UHFFFAOYSA-N -1 1 293.750 3.707 20 0 CHADMM COC(=O)c1cc(C)cc(-c2cccc([O-])c2Cl)c1 ZINC001242801290 1130058627 /nfs/dbraw/zinc/05/86/27/1130058627.db2.gz WTOPBGCEBKEADX-UHFFFAOYSA-N -1 1 276.719 3.808 20 0 CHADMM O=C(OCc1cccc(Cl)c1F)c1ccc([O-])cc1F ZINC000786303381 1130086366 /nfs/dbraw/zinc/08/63/66/1130086366.db2.gz LNQZFHXFDHQEOM-UHFFFAOYSA-N -1 1 298.672 3.681 20 0 CHADMM CSc1ccccc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789884685 1130279388 /nfs/dbraw/zinc/27/93/88/1130279388.db2.gz SRANGEHXKJJZOB-UHFFFAOYSA-N -1 1 284.793 3.771 20 0 CHADMM [O-]c1ccc(F)cc1-c1ccc(OCc2ccccc2)nn1 ZINC001240693828 1130421387 /nfs/dbraw/zinc/42/13/87/1130421387.db2.gz ZUIAONSUECZVHB-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM CC(C)(C)OC(=O)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240693131 1130421421 /nfs/dbraw/zinc/42/14/21/1130421421.db2.gz CNUPDLVHRWIGPK-UHFFFAOYSA-N -1 1 289.306 3.549 20 0 CHADMM Cc1cc(-c2cc(F)ccc2[O-])nc(C(C)(C)C)n1 ZINC001240695366 1130421922 /nfs/dbraw/zinc/42/19/22/1130421922.db2.gz IBXMKGAIWMQDML-UHFFFAOYSA-N -1 1 260.312 3.594 20 0 CHADMM CC(C)OCc1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240695740 1130422172 /nfs/dbraw/zinc/42/21/72/1130422172.db2.gz PKJCGBLICHYGMN-UHFFFAOYSA-N -1 1 261.296 3.518 20 0 CHADMM COc1cc2cnc(-c3cc(F)ccc3[O-])cc2cc1OC ZINC001240695408 1130422707 /nfs/dbraw/zinc/42/27/07/1130422707.db2.gz KKMQFAPPIVJNKV-UHFFFAOYSA-N -1 1 299.301 3.764 20 0 CHADMM [O-]c1ccc(F)cc1-c1cc(OCc2ccccc2)ncn1 ZINC001240696088 1130422954 /nfs/dbraw/zinc/42/29/54/1130422954.db2.gz ZTBOOTDKFMTNDD-UHFFFAOYSA-N -1 1 296.301 3.567 20 0 CHADMM [O-]c1ccc(F)cc1-c1nccc2c3c([nH]c21)CCC3 ZINC001240696778 1130423566 /nfs/dbraw/zinc/42/35/66/1130423566.db2.gz XBMWJAVYJUDPCM-UHFFFAOYSA-N -1 1 268.291 3.563 20 0 CHADMM [O-]c1ccc(-c2nnc(C3CC3)cc2C(F)(F)F)cc1F ZINC001240783519 1130468647 /nfs/dbraw/zinc/46/86/47/1130468647.db2.gz VKOFTRLKRXANIF-UHFFFAOYSA-N 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XPGWULDZCXOEKH-UHFFFAOYSA-N -1 1 286.718 3.670 20 0 CHADMM COC(=O)c1nc2ccc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC001236088989 1130856089 /nfs/dbraw/zinc/85/60/89/1130856089.db2.gz XPGWULDZCXOEKH-UHFFFAOYSA-N -1 1 286.718 3.670 20 0 CHADMM Cc1ccc(F)c(-c2ncnc3[nH]c4ccccc4c32)c1[O-] ZINC001236394582 1130926309 /nfs/dbraw/zinc/92/63/09/1130926309.db2.gz ZEUROGQJUXOEGI-UHFFFAOYSA-N -1 1 293.301 3.931 20 0 CHADMM CC(F)(F)C(=O)[N-]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000815138569 1130966009 /nfs/dbraw/zinc/96/60/09/1130966009.db2.gz WUIOWCVSIZJXHV-UHFFFAOYSA-N -1 1 294.128 3.754 20 0 CHADMM CSc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001135735850 1131131067 /nfs/dbraw/zinc/13/10/67/1131131067.db2.gz UFWWBYCBZLEJCT-UHFFFAOYSA-N -1 1 277.320 3.506 20 0 CHADMM [O-]c1c(F)cc(CN2CC3CCC2CC3)cc1Cl ZINC001237996659 1131159450 /nfs/dbraw/zinc/15/94/50/1131159450.db2.gz GWRQIFLEVJSXRB-UHFFFAOYSA-N -1 1 269.747 3.559 20 0 CHADMM CCCCCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001116753882 1131162273 /nfs/dbraw/zinc/16/22/73/1131162273.db2.gz 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ZINC001211352364 1134411222 /nfs/dbraw/zinc/41/12/22/1134411222.db2.gz LEGVEVRQCYTJRT-UHFFFAOYSA-N -1 1 287.265 3.894 20 0 CHADMM COC(=O)c1cc(F)cc(-c2cc(F)c([O-])cc2F)c1C ZINC001211360164 1134412639 /nfs/dbraw/zinc/41/26/39/1134412639.db2.gz PAPOSBNXJOJFER-UHFFFAOYSA-N -1 1 296.244 3.572 20 0 CHADMM Cc1noc2cc(-c3cc(F)c([O-])cc3F)ccc12 ZINC001211360244 1134412652 /nfs/dbraw/zinc/41/26/52/1134412652.db2.gz QENCVMHOVAXCIR-UHFFFAOYSA-N -1 1 261.227 3.787 20 0 CHADMM CCOCc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211359152 1134412878 /nfs/dbraw/zinc/41/28/78/1134412878.db2.gz BWMFHAPWSCUMDP-UHFFFAOYSA-N -1 1 264.271 3.874 20 0 CHADMM COc1cc(Nc2ccc3[nH]c(C)nc3c2)ccc1[S-] ZINC001213076761 1134423295 /nfs/dbraw/zinc/42/32/95/1134423295.db2.gz ZNWHMPNFZUVBKU-UHFFFAOYSA-N -1 1 285.372 3.912 20 0 CHADMM CCOc1ccc(Nc2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC001213118921 1134428897 /nfs/dbraw/zinc/42/88/97/1134428897.db2.gz DHMVNRPRCRRVBQ-UHFFFAOYSA-N -1 1 295.285 3.821 20 0 CHADMM COCc1ccc(C)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001213576028 1134464942 /nfs/dbraw/zinc/46/49/42/1134464942.db2.gz CFEWKDPKAFMNAN-UHFFFAOYSA-N -1 1 279.286 3.869 20 0 CHADMM Cc1nn(C)c2cc(Nc3c([O-])cc(F)cc3F)ccc12 ZINC001213759106 1134480750 /nfs/dbraw/zinc/48/07/50/1134480750.db2.gz SRBFEIOTKSBHPZ-UHFFFAOYSA-N -1 1 289.285 3.609 20 0 CHADMM COc1cccc([N-]c2nnc(C(C)(C)C)o2)c1C1CC1 ZINC001213797274 1134485039 /nfs/dbraw/zinc/48/50/39/1134485039.db2.gz VDDUIQGHOIJFHR-UHFFFAOYSA-N -1 1 287.363 3.997 20 0 CHADMM O=c1ccn(-c2ccc(Nc3cnccc3C3CC3)cc2)[n-]1 ZINC001213883762 1134494677 /nfs/dbraw/zinc/49/46/77/1134494677.db2.gz FCERKSKOBBWYKM-UHFFFAOYSA-N -1 1 292.342 3.594 20 0 CHADMM CCOc1cc(Nc2ccnc(Cl)c2[O-])ccc1C ZINC001214323080 1134528302 /nfs/dbraw/zinc/52/83/02/1134528302.db2.gz LVBAVYREVIDVKT-UHFFFAOYSA-N -1 1 278.739 3.891 20 0 CHADMM Cc1ccc(O)cc1Nc1cc([O-])c(Cl)cc1F ZINC001214348351 1134532132 /nfs/dbraw/zinc/53/21/32/1134532132.db2.gz VDNRFJBQQGJHJN-UHFFFAOYSA-N -1 1 267.687 3.942 20 0 CHADMM COCOc1ccc(C)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001214368827 1134533761 /nfs/dbraw/zinc/53/37/61/1134533761.db2.gz PWZULKYZFKSENW-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM CC(C)n1cc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482946 1134541852 /nfs/dbraw/zinc/54/18/52/1134541852.db2.gz WELXHHTYYYJRTE-UHFFFAOYSA-N -1 1 269.707 3.706 20 0 CHADMM Cc1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214479862 1134541872 /nfs/dbraw/zinc/54/18/72/1134541872.db2.gz HCPRUOSYGQKLOX-UHFFFAOYSA-N -1 1 252.676 3.632 20 0 CHADMM [O-]c1c(F)cc(Nc2ncc(F)s2)cc1Cl ZINC001214480519 1134542858 /nfs/dbraw/zinc/54/28/58/1134542858.db2.gz UHMOSGPIFHAJMO-UHFFFAOYSA-N -1 1 262.668 3.524 20 0 CHADMM Cn1ncc2cccc(Nc3cc(F)c([O-])c(Cl)c3)c21 ZINC001214488637 1134543150 /nfs/dbraw/zinc/54/31/50/1134543150.db2.gz IXQAJTUXAAMHPD-UHFFFAOYSA-N -1 1 291.713 3.815 20 0 CHADMM [O-]c1c(F)cc(Nc2ccc(F)c(CO)c2)cc1Cl ZINC001214489222 1134545045 /nfs/dbraw/zinc/54/50/45/1134545045.db2.gz YKZSEAZVBXUUFI-UHFFFAOYSA-N -1 1 285.677 3.560 20 0 CHADMM [O-]c1c(F)cc(Nc2cccc3c2COC3)cc1Cl ZINC001214492203 1134545316 /nfs/dbraw/zinc/54/53/16/1134545316.db2.gz SRZFDDWRNYHBIE-UHFFFAOYSA-N -1 1 279.698 3.959 20 0 CHADMM COCOc1c(C)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001214852923 1134577832 /nfs/dbraw/zinc/57/78/32/1134577832.db2.gz AQJUDSKJVBBZMB-UHFFFAOYSA-N -1 1 295.285 3.705 20 0 CHADMM Nc1cc(F)cc(Cl)c1Nc1cc(F)c([O-])cc1F ZINC001215576320 1134646220 /nfs/dbraw/zinc/64/62/20/1134646220.db2.gz VIRFSSDZLWKERD-UHFFFAOYSA-N -1 1 288.656 3.789 20 0 CHADMM Cc1cc(Nc2cc(F)c([O-])cc2F)cc2snnc21 ZINC001215575917 1134646225 /nfs/dbraw/zinc/64/62/25/1134646225.db2.gz GGJXEGNJVVGBFL-UHFFFAOYSA-N -1 1 293.298 3.727 20 0 CHADMM COc1c([N-]c2nnc(C(C)(C)C)o2)ccc(C)c1F ZINC001215599344 1134650129 /nfs/dbraw/zinc/65/01/29/1134650129.db2.gz BAFHWLUIWDCKQW-UHFFFAOYSA-N -1 1 279.315 3.567 20 0 CHADMM COc1cc(Nc2ccnc(Cl)c2[O-])cc(C)c1F ZINC001215701759 1134661789 /nfs/dbraw/zinc/66/17/89/1134661789.db2.gz PMHWQCQCKWQBDY-UHFFFAOYSA-N -1 1 282.702 3.640 20 0 CHADMM COc1cc(Nc2c([O-])cc(F)cc2F)cc(C)c1F ZINC001215703298 1134662474 /nfs/dbraw/zinc/66/24/74/1134662474.db2.gz WYCKHVXYKBOQKC-UHFFFAOYSA-N -1 1 283.249 3.870 20 0 CHADMM Cc1ccc(-c2noc(-c3ccc(F)c([O-])c3)n2)cc1C ZINC001215838623 1134698730 /nfs/dbraw/zinc/69/87/30/1134698730.db2.gz HTBVEFAACIBUNH-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM [O-]c1cc(-c2nc(-c3ncccc3C3CC3)no2)ccc1F ZINC001215842735 1134700856 /nfs/dbraw/zinc/70/08/56/1134700856.db2.gz SASAIRSJJQCRGW-UHFFFAOYSA-N -1 1 297.289 3.521 20 0 CHADMM Cc1ccc(F)cc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215984535 1134741448 /nfs/dbraw/zinc/74/14/48/1134741448.db2.gz UWNLXJHDUACFIM-UHFFFAOYSA-N -1 1 288.253 3.696 20 0 CHADMM [O-]c1cccc(-c2nc(-c3cccc4occc43)no2)c1F ZINC001215988823 1134742470 /nfs/dbraw/zinc/74/24/70/1134742470.db2.gz HOCZQPVXXKLLOA-UHFFFAOYSA-N -1 1 296.257 3.995 20 0 CHADMM Cc1cc(-c2ccccc2)ccc1[N-]c1nnco1 ZINC001216195981 1134807210 /nfs/dbraw/zinc/80/72/10/1134807210.db2.gz GOFIJKVMIWPRLL-UHFFFAOYSA-N -1 1 251.289 3.789 20 0 CHADMM [O-]c1c(Cl)nccc1Nc1c(Cl)ccnc1Cl ZINC001216301529 1134842853 /nfs/dbraw/zinc/84/28/53/1134842853.db2.gz RBRGXBSRMWRREC-UHFFFAOYSA-N -1 1 290.537 3.886 20 0 CHADMM [O-]c1cc(F)cnc1Nc1cc2c(cccc2F)o1 ZINC001216291204 1134837177 /nfs/dbraw/zinc/83/71/77/1134837177.db2.gz GQWHVSPKZQENIY-UHFFFAOYSA-N -1 1 262.215 3.555 20 0 CHADMM Cc1cccc(-c2noc(-c3cc([O-])cc(F)c3)n2)c1C ZINC001216339758 1134859706 /nfs/dbraw/zinc/85/97/06/1134859706.db2.gz LJIQWDVGLORODV-UHFFFAOYSA-N -1 1 284.290 3.865 20 0 CHADMM [O-]c1cc(F)c(Nc2ccc(O)cc2Cl)cc1F ZINC001216428462 1134894009 /nfs/dbraw/zinc/89/40/09/1134894009.db2.gz AGNZBSVSNSVKHD-UHFFFAOYSA-N -1 1 271.650 3.773 20 0 CHADMM COC(=O)[C@@H](C)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001222086773 1135190803 /nfs/dbraw/zinc/19/08/03/1135190803.db2.gz PEIUYQSJVZRPPP-VIFPVBQESA-N -1 1 292.281 3.614 20 0 CHADMM CCC[C@@H](Oc1cc([O-])ccc1C(C)=O)C(C)C ZINC001225615506 1135596069 /nfs/dbraw/zinc/59/60/69/1135596069.db2.gz BBQCRSNORNXTLN-CQSZACIVSA-N -1 1 250.338 3.798 20 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/nfs/dbraw/zinc/14/87/49/327148749.db2.gz WLLYCZWOSXWGGK-UHFFFAOYSA-N -1 1 299.345 3.689 20 0 CHADMM O=C([O-])c1coc(CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000518547161 327173334 /nfs/dbraw/zinc/17/33/34/327173334.db2.gz WWNCHDXJUHGIBT-FDMDGMSGSA-N -1 1 297.354 3.656 20 0 CHADMM CCN(Cc1cccs1)[C@H](C(=O)[O-])c1ccccc1C ZINC000584296851 327227862 /nfs/dbraw/zinc/22/78/62/327227862.db2.gz KWWJSSTWESOPKI-HNNXBMFYSA-N -1 1 289.400 3.704 20 0 CHADMM CC1CC(c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000559888509 327268281 /nfs/dbraw/zinc/26/82/81/327268281.db2.gz FRDUYOHJYRUAKI-UHFFFAOYSA-N -1 1 264.712 3.609 20 0 CHADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000358597276 328889107 /nfs/dbraw/zinc/88/91/07/328889107.db2.gz GHJKXLKYQQLKCL-CQSZACIVSA-N -1 1 298.386 3.537 20 0 CHADMM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000402663648 332850184 /nfs/dbraw/zinc/85/01/84/332850184.db2.gz XTKHIFBVIZLCAN-SSDOTTSWSA-N -1 1 295.688 3.963 20 0 CHADMM Oc1cc(F)cc(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000186179190 329338830 /nfs/dbraw/zinc/33/88/30/329338830.db2.gz DVHQMAZTFBCXCF-UHFFFAOYSA-N -1 1 277.364 3.757 20 0 CHADMM CCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000584432170 329468524 /nfs/dbraw/zinc/46/85/24/329468524.db2.gz UWMSKEVMFVTXHE-UHFFFAOYSA-N -1 1 292.560 3.547 20 0 CHADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C1CCC1 ZINC000420495490 329769280 /nfs/dbraw/zinc/76/92/80/329769280.db2.gz VRNWPGQDEGWRCT-QMMMGPOBSA-N -1 1 278.739 3.999 20 0 CHADMM O=C([O-])[C@H](NCc1cccc(C2CC2)c1)c1ccccc1F ZINC000421818128 330086002 /nfs/dbraw/zinc/08/60/02/330086002.db2.gz ZBZOMFABCCNMFC-QGZVFWFLSA-N -1 1 299.345 3.619 20 0 CHADMM Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000031665337 330221663 /nfs/dbraw/zinc/22/16/63/330221663.db2.gz SFYNOVWGLIVECH-UHFFFAOYSA-N -1 1 295.791 3.758 20 0 CHADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)[C@H]1C1CC1 ZINC000528170555 330311301 /nfs/dbraw/zinc/31/13/01/330311301.db2.gz ZMOCUZQIWVHPQM-HAGUPOPPSA-N -1 1 290.750 3.855 20 0 CHADMM C[C@@H]1CCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445443194 330353598 /nfs/dbraw/zinc/35/35/98/330353598.db2.gz BJACXYSBHMJDHK-PSASIEDQSA-N -1 1 278.739 3.999 20 0 CHADMM Cc1cccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000436563722 330680097 /nfs/dbraw/zinc/68/00/97/330680097.db2.gz PVJCQBOGANYXHH-MRXNPFEDSA-N -1 1 299.345 3.817 20 0 CHADMM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1ccccc1[O-] ZINC000436730903 330683805 /nfs/dbraw/zinc/68/38/05/330683805.db2.gz IRMUKBGLCMEPCY-UHFFFAOYSA-N -1 1 295.338 3.627 20 0 CHADMM CC(C)c1ccc(C(=O)Nc2ccnn2C(C)C)c([O-])c1 ZINC000436752557 330684345 /nfs/dbraw/zinc/68/43/45/330684345.db2.gz BGKVNKFVUBEWBR-UHFFFAOYSA-N -1 1 287.363 3.545 20 0 CHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000436827989 330686152 /nfs/dbraw/zinc/68/61/52/330686152.db2.gz WHMWYTVWQXEDSK-OLZOCXBDSA-N -1 1 293.382 3.866 20 0 CHADMM CCc1ccccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881326 330687513 /nfs/dbraw/zinc/68/75/13/330687513.db2.gz XAMOKDHFMORFIW-UHFFFAOYSA-N -1 1 298.317 3.735 20 0 CHADMM COc1ccc(-c2nc([C@H](C)C(C)(C)C)no2)c([O-])c1 ZINC000436934682 330689174 /nfs/dbraw/zinc/68/91/74/330689174.db2.gz YLRDMPZGRCVRRG-VIFPVBQESA-N -1 1 276.336 3.600 20 0 CHADMM O=C(NCCCC1CCCCC1)c1c(F)ccc([O-])c1F ZINC000438772709 330729262 /nfs/dbraw/zinc/72/92/62/330729262.db2.gz ARIWIEDSHLXJTQ-UHFFFAOYSA-N -1 1 297.345 3.761 20 0 CHADMM COc1cc(-c2nc([C@@H](C)C3CC3)no2)cc(Cl)c1[O-] ZINC000443226647 330797468 /nfs/dbraw/zinc/79/74/68/330797468.db2.gz QLEZFFJSBUVEQQ-ZETCQYMHSA-N -1 1 294.738 3.618 20 0 CHADMM Cc1cccc(C)c1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476692 330829401 /nfs/dbraw/zinc/82/94/01/330829401.db2.gz GZFLRRWJSQYQJN-UHFFFAOYSA-N -1 1 298.317 3.789 20 0 CHADMM C[C@@H]1CC/C(=C/c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000445484917 330829674 /nfs/dbraw/zinc/82/96/74/330829674.db2.gz XWYCHPVSLXDVSL-SBMLRHLQSA-N -1 1 274.295 3.785 20 0 CHADMM Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445486852 330829788 /nfs/dbraw/zinc/82/97/88/330829788.db2.gz 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/nfs/dbraw/zinc/27/89/00/331278900.db2.gz RLGHOHHWBUCOAR-UHFFFAOYSA-N -1 1 292.423 3.630 20 0 CHADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000164893894 331305308 /nfs/dbraw/zinc/30/53/08/331305308.db2.gz FKHPJMOFQCWCIE-UHFFFAOYSA-N -1 1 278.311 3.501 20 0 CHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000476251826 331658617 /nfs/dbraw/zinc/65/86/17/331658617.db2.gz QNZNOEOGCYPTPW-UHFFFAOYSA-N -1 1 299.754 3.588 20 0 CHADMM Cc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1Cl ZINC000489041259 332038985 /nfs/dbraw/zinc/03/89/85/332038985.db2.gz MGCGOKKVSWNOOE-UHFFFAOYSA-N -1 1 293.725 3.674 20 0 CHADMM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000489151111 332042435 /nfs/dbraw/zinc/04/24/35/332042435.db2.gz FAZWGGBIBHSOED-GFCCVEGCSA-N -1 1 287.334 3.657 20 0 CHADMM CC(C)(C)C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000336852195 335121428 /nfs/dbraw/zinc/12/14/28/335121428.db2.gz LMZCUJBFRNBWNW-INIZCTEOSA-N -1 1 298.386 3.695 20 0 CHADMM Cc1c(=O)[n-]c(S[C@@H]2C=CCCC2)nc1-c1ccccc1 ZINC000184876471 333132795 /nfs/dbraw/zinc/13/27/95/333132795.db2.gz BCSDBHHHBVJJAO-CQSZACIVSA-N -1 1 298.411 3.946 20 0 CHADMM Cc1c(=O)[n-]c(S[C@H]2C=CCCC2)nc1-c1ccccc1 ZINC000184876454 333132895 /nfs/dbraw/zinc/13/28/95/333132895.db2.gz BCSDBHHHBVJJAO-AWEZNQCLSA-N -1 1 298.411 3.946 20 0 CHADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000186565242 333163084 /nfs/dbraw/zinc/16/30/84/333163084.db2.gz IPTFSLZUGLPKGT-YGRLFVJLSA-N -1 1 267.756 3.666 20 0 CHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)s1 ZINC000228834834 333297680 /nfs/dbraw/zinc/29/76/80/333297680.db2.gz YWKFLWDYXKSSJO-ZETCQYMHSA-N -1 1 299.754 3.737 20 0 CHADMM CCCCN(C(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000316058717 333385284 /nfs/dbraw/zinc/38/52/84/333385284.db2.gz FMQMBUCIYBVWJR-UHFFFAOYSA-N -1 1 299.370 3.848 20 0 CHADMM CC1(C)CCC[C@@H]1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000529565744 333498054 /nfs/dbraw/zinc/49/80/54/333498054.db2.gz VRZXSYHVJOXIPL-SNVBAGLBSA-N -1 1 297.345 3.617 20 0 CHADMM [O-]c1cccc(CNc2cccc(-n3ccnc3)c2)c1Cl 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ZINC000082193144 334223170 /nfs/dbraw/zinc/22/31/70/334223170.db2.gz MJUWCOHUYGDQKX-UHFFFAOYSA-N -1 1 265.740 3.875 20 0 CHADMM [O-]c1ccc(-c2noc(C=C3CCCC3)n2)cc1F ZINC000555999348 334493071 /nfs/dbraw/zinc/49/30/71/334493071.db2.gz HNGYQFPPEHUDKU-UHFFFAOYSA-N -1 1 260.268 3.539 20 0 CHADMM Cc1c(CNC(=O)c2ccc([O-])cc2F)oc2ccccc12 ZINC000154896687 334706902 /nfs/dbraw/zinc/70/69/02/334706902.db2.gz YTMAZQKXDBQWLW-UHFFFAOYSA-N -1 1 299.301 3.516 20 0 CHADMM CO[C@@H](C)c1nc(=N[C@H]2CCCCC23CCCC3)s[n-]1 ZINC000383777771 336117750 /nfs/dbraw/zinc/11/77/50/336117750.db2.gz SNGYBFDYBQPTDE-RYUDHWBXSA-N -1 1 295.452 3.582 20 0 CHADMM CO[C@H](C)c1nc(=N[C@H]2CCCCC23CCCC3)s[n-]1 ZINC000383777765 336117799 /nfs/dbraw/zinc/11/77/99/336117799.db2.gz SNGYBFDYBQPTDE-NEPJUHHUSA-N -1 1 295.452 3.582 20 0 CHADMM CCCN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000384385919 336124221 /nfs/dbraw/zinc/12/42/21/336124221.db2.gz OGEKYFGARBWIEK-UHFFFAOYSA-N -1 1 287.334 3.584 20 0 CHADMM COc1ccc(-c2nc([C@@H]3CCCC[C@H]3C)no2)c([O-])c1 ZINC000385098608 336138040 /nfs/dbraw/zinc/13/80/40/336138040.db2.gz ZFGMJMDIUIUJTK-ZYHUDNBSSA-N -1 1 288.347 3.745 20 0 CHADMM [O-]c1ccc(-c2noc(C3(C4CCC4)CCC3)n2)cc1F ZINC000581866319 336154421 /nfs/dbraw/zinc/15/44/21/336154421.db2.gz JVXCLLVSWYEPLY-UHFFFAOYSA-N -1 1 288.322 3.803 20 0 CHADMM [O-]c1cccc(CNc2ccc(F)c(F)c2)c1Cl ZINC000385709905 336154781 /nfs/dbraw/zinc/15/47/81/336154781.db2.gz HGUDJTAYBIJFLG-UHFFFAOYSA-N -1 1 269.678 3.936 20 0 CHADMM CS[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000336214910 534061601 /nfs/dbraw/zinc/06/16/01/534061601.db2.gz MTQUXTHYNGHYSM-ZCFIWIBFSA-N -1 1 270.741 3.520 20 0 CHADMM COC[C@H]([N-]c1nc(C(C)C)no1)c1ccc(Cl)cc1 ZINC000278816483 522770746 /nfs/dbraw/zinc/77/07/46/522770746.db2.gz SSIOJQHSSWQBKI-LBPRGKRZSA-N -1 1 295.770 3.646 20 0 CHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000277545073 524594934 /nfs/dbraw/zinc/59/49/34/524594934.db2.gz ZVOAZADMHGVHLC-AWEZNQCLSA-N -1 1 293.750 3.547 20 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WQTQAXMTIOXUGB-UHFFFAOYSA-N -1 1 291.322 3.528 20 0 CHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000820147751 601850211 /nfs/dbraw/zinc/85/02/11/601850211.db2.gz CCNXKPSRMOPQGF-JTQLQIEISA-N -1 1 291.297 3.514 20 0 CHADMM CCc1ccc(C(C)(C)NCc2occc2C(=O)[O-])cc1 ZINC000833668775 605145877 /nfs/dbraw/zinc/14/58/77/605145877.db2.gz CHQDVWPBNKKHJZ-UHFFFAOYSA-N -1 1 287.359 3.565 20 0 CHADMM O=C([O-])Nc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000834267861 605600202 /nfs/dbraw/zinc/60/02/02/605600202.db2.gz CKRJQTPCLNNYHW-MRXNPFEDSA-N -1 1 297.358 3.509 20 0 CHADMM