smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)c(CN[C@@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000417533049 334954257 /nfs/dbraw/zinc/95/42/57/334954257.db2.gz LZRFYKYHPZVVHH-NEPJUHHUSA-N -1 3 315.816 4.157 20 0 DIADHM CC(C)(CCNCc1csc(Cl)c1Cl)CCC(=O)[O-] ZINC000417555440 334968735 /nfs/dbraw/zinc/96/87/35/334968735.db2.gz FJJCENWWPBERQB-UHFFFAOYSA-N -1 3 324.273 4.426 20 0 DIADHM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1sccc1Cl ZINC000417576298 334995309 /nfs/dbraw/zinc/99/53/09/334995309.db2.gz UWLUYEDQJHMALO-CYBMUJFWSA-N -1 3 309.818 4.016 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CN[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000417594764 335001367 /nfs/dbraw/zinc/00/13/67/335001367.db2.gz ASVVDDXZXCKZKY-MNOVXSKESA-N -1 3 315.866 4.039 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CN[C@H](C)[C@H](C)C(=O)[O-] ZINC000417594766 335001397 /nfs/dbraw/zinc/00/13/97/335001397.db2.gz ASVVDDXZXCKZKY-WDEREUQCSA-N -1 3 315.866 4.039 20 0 DIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000007402777 181462324 /nfs/dbraw/zinc/46/23/24/181462324.db2.gz BPOBDMUOGVYCOX-GFCCVEGCSA-N -1 3 307.390 4.140 20 0 DIADHM Cc1cc(C)cc(-c2ccc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)cc2)c1 ZINC000417627368 335016673 /nfs/dbraw/zinc/01/66/73/335016673.db2.gz UYNSWVCLGLLFCA-ICSRJNTNSA-N -1 3 321.420 4.089 20 0 DIADHM CC[C@@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417621164 335017364 /nfs/dbraw/zinc/01/73/64/335017364.db2.gz KPQXDBXQJFMYLK-NSHDSACASA-N -1 3 323.742 4.092 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Br)cc2C)c1[O-] ZINC000019807259 182152647 /nfs/dbraw/zinc/15/26/47/182152647.db2.gz IIDFWOWCTRQQDB-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1[O-] ZINC000320451811 335021599 /nfs/dbraw/zinc/02/15/99/335021599.db2.gz NTRGUSRDSZZVFD-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1cc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC000417638157 335022058 /nfs/dbraw/zinc/02/20/58/335022058.db2.gz ZVKUVTNMFQPZIC-WBVHZDCISA-N -1 3 315.800 4.051 20 0 DIADHM CCC[C@H](CCCCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417638082 335022188 /nfs/dbraw/zinc/02/21/88/335022188.db2.gz JDUNNTOXCIAROD-GFCCVEGCSA-N -1 3 315.816 4.240 20 0 DIADHM CCC[C@H](CCCCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417643082 335026787 /nfs/dbraw/zinc/02/67/87/335026787.db2.gz YRJXHESZEFVXPC-GFCCVEGCSA-N -1 3 315.816 4.240 20 0 DIADHM O=C([O-])CC1(CCNCc2ccsc2Cl)CCCCC1 ZINC000417653060 335028573 /nfs/dbraw/zinc/02/85/73/335028573.db2.gz RYWZEOBACNQKAU-UHFFFAOYSA-N -1 3 315.866 4.306 20 0 DIADHM COC(=O)c1ccc(-c2cc([O-])cc(C(F)(F)F)c2)c(F)c1 ZINC000065344353 184326066 /nfs/dbraw/zinc/32/60/66/184326066.db2.gz HPTAUQNMUAINIO-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]C(=NOC1CCCC1)Nc1ncc(C2CCCCC2)s1 ZINC000273087751 130088558 /nfs/dbraw/zinc/08/85/58/130088558.db2.gz QSZKKOJHDLLQCV-UHFFFAOYSA-N -1 3 309.435 4.187 20 0 DIADHM O=C([N-]OC1CCCC1)Nc1ncc(C2CCCCC2)s1 ZINC000273087751 130088562 /nfs/dbraw/zinc/08/85/62/130088562.db2.gz QSZKKOJHDLLQCV-UHFFFAOYSA-N -1 3 309.435 4.187 20 0 DIADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000283757753 131020111 /nfs/dbraw/zinc/02/01/11/131020111.db2.gz ADTREMWZBKITCW-SNVBAGLBSA-N -1 3 318.244 4.363 20 0 DIADHM CCOc1cc(CN(C)[C@@H](C)c2cccnc2)cc(Cl)c1[O-] ZINC000283835323 131028397 /nfs/dbraw/zinc/02/83/97/131028397.db2.gz CUPRIADAWZFSTJ-LBPRGKRZSA-N -1 3 320.820 4.032 20 0 DIADHM CCOc1cc(CN(C)[C@H](C)c2ccncc2)cc(Cl)c1[O-] ZINC000284032090 131042638 /nfs/dbraw/zinc/04/26/38/131042638.db2.gz LGKQXSCVJLUYTR-GFCCVEGCSA-N -1 3 320.820 4.032 20 0 DIADHM C[C@@H]1CCN(C(=O)c2sccc2Cl)c2c([O-])cccc21 ZINC000286037307 131217174 /nfs/dbraw/zinc/21/71/74/131217174.db2.gz KHYHWAAVADOBOX-SECBINFHSA-N -1 3 307.802 4.261 20 0 DIADHM CC[C@H](C)CON=C([O-])Nc1ccc(-c2ccccc2)c(C)n1 ZINC000297379369 132012862 /nfs/dbraw/zinc/01/28/62/132012862.db2.gz KUIQHLXUWKLZSL-ZDUSSCGKSA-N -1 3 313.401 4.156 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000297379369 132012864 /nfs/dbraw/zinc/01/28/64/132012864.db2.gz KUIQHLXUWKLZSL-ZDUSSCGKSA-N -1 3 313.401 4.156 20 0 DIADHM CCOc1cc(CN[C@H]2CCCc3occc32)cc(Cl)c1[O-] ZINC000298381062 132059566 /nfs/dbraw/zinc/05/95/66/132059566.db2.gz CLWICIMNEBVTIG-AWEZNQCLSA-N -1 3 321.804 4.205 20 0 DIADHM c1coc(-c2noc(-c3c[n-]nc3-c3cc4ccccc4o3)n2)c1 ZINC000340656518 132121431 /nfs/dbraw/zinc/12/14/31/132121431.db2.gz ACIBTQIUBLNMKI-UHFFFAOYSA-N -1 3 318.292 4.133 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncc(C(C)C)n2C(C)C)n1 ZINC000120878571 132147104 /nfs/dbraw/zinc/14/71/04/132147104.db2.gz SCBHSWQRHXYJCJ-LBPRGKRZSA-N -1 3 320.462 4.245 20 0 DIADHM Cc1nc(-c2cccc(C(=O)Nc3ccccc3[O-])c2)cs1 ZINC000175084875 332875424 /nfs/dbraw/zinc/87/54/24/332875424.db2.gz LOYVNQIURQUHKI-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1[O-] ZINC000318477523 332877690 /nfs/dbraw/zinc/87/76/90/332877690.db2.gz ZFYDBQAPPOYOCJ-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CC[C@H](C)c1cc(C(=O)[N-]c2cncc(Cl)c2Cl)on1 ZINC000180153934 331563493 /nfs/dbraw/zinc/56/34/93/331563493.db2.gz LSPBIPUFNIRSCM-ZETCQYMHSA-N -1 3 314.172 4.142 20 0 DIADHM CC[C@H](SCC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000180713921 331576223 /nfs/dbraw/zinc/57/62/23/331576223.db2.gz MSISWOWGFSXAMY-INIZCTEOSA-N -1 3 301.411 4.215 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cncc(-c2ccccc2)c1 ZINC000533615407 331607555 /nfs/dbraw/zinc/60/75/55/331607555.db2.gz MVLSILGLBUEDKF-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCS[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000530874666 331631788 /nfs/dbraw/zinc/63/17/88/331631788.db2.gz QKNGQUNFNQUHBS-CYBMUJFWSA-N -1 3 301.839 4.070 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc3[nH]ccc32)c2c([O-])cccc21 ZINC000186280169 332920800 /nfs/dbraw/zinc/92/08/00/332920800.db2.gz RXUKRJHTFZGSBE-LBPRGKRZSA-N -1 3 306.365 4.028 20 0 DIADHM Cc1cc(C)c(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])o1 ZINC000530918836 331635487 /nfs/dbraw/zinc/63/54/87/331635487.db2.gz DGBDFZVZXVNZPR-UHFFFAOYSA-N -1 3 321.376 4.445 20 0 DIADHM CC(C)CO[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000556423296 331703071 /nfs/dbraw/zinc/70/30/71/331703071.db2.gz INQOPSKEXCKGDV-LBPRGKRZSA-N -1 3 312.369 4.329 20 0 DIADHM CCc1ccc(C(C)(C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000556557935 331715503 /nfs/dbraw/zinc/71/55/03/331715503.db2.gz VNXVSPCKFXSOTC-UHFFFAOYSA-N -1 3 317.816 4.273 20 0 DIADHM O=C(/C=C\c1cncc([O-])c1)Nc1ccccc1-c1ccccc1 ZINC000255236409 331725808 /nfs/dbraw/zinc/72/58/08/331725808.db2.gz FBGLOSHCJWNKLB-KHPPLWFESA-N -1 3 316.360 4.106 20 0 DIADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000519992746 331737270 /nfs/dbraw/zinc/73/72/70/331737270.db2.gz LDCQLXKKTJRLHW-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000087678818 331764565 /nfs/dbraw/zinc/76/45/65/331764565.db2.gz NPCCNFGCJDAFBD-GHMZBOCLSA-N -1 3 318.244 4.363 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000087761661 331791732 /nfs/dbraw/zinc/79/17/32/331791732.db2.gz NUXJIWFZWYQNTC-GHMZBOCLSA-N -1 3 318.244 4.363 20 0 DIADHM CCc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000557481632 331793455 /nfs/dbraw/zinc/79/34/55/331793455.db2.gz OVPDAQNHOJJZSL-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000518414329 332029257 /nfs/dbraw/zinc/02/92/57/332029257.db2.gz HEULAZXWMRCYSI-UWVGGRQHSA-N -1 3 323.726 4.066 20 0 DIADHM [O-]c1cccc(CNC[C@H]2CSc3ccccc32)c1Cl ZINC000449364683 332075963 /nfs/dbraw/zinc/07/59/63/332075963.db2.gz ODGMBEZQELSFMB-LBPRGKRZSA-N -1 3 305.830 4.025 20 0 DIADHM CC(C)(NCc1ncccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000569410208 332078158 /nfs/dbraw/zinc/07/81/58/332078158.db2.gz MDTJUJQAVBYQDH-UHFFFAOYSA-N -1 3 311.212 4.119 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000518613342 332095581 /nfs/dbraw/zinc/09/55/81/332095581.db2.gz ZBDBXCXFBNICMM-SJORKVTESA-N -1 3 303.361 4.288 20 0 DIADHM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426809690 332151923 /nfs/dbraw/zinc/15/19/23/332151923.db2.gz WKXWRYFWOBDYIM-KRWDZBQOSA-N -1 3 317.816 4.208 20 0 DIADHM Cc1ccccc1[C@H](CC(=O)[O-])NCc1coc2ccccc12 ZINC000426790931 332153900 /nfs/dbraw/zinc/15/39/00/332153900.db2.gz CFYHDHHFSHWCJW-KRWDZBQOSA-N -1 3 309.365 4.047 20 0 DIADHM Cc1ccc(C)c(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426799664 332155133 /nfs/dbraw/zinc/15/51/33/332155133.db2.gz LPVINTQUMWKPCQ-QGZVFWFLSA-N -1 3 317.816 4.262 20 0 DIADHM CC(C)(C)C[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426830041 332156098 /nfs/dbraw/zinc/15/60/98/332156098.db2.gz UTMUQDNXDQGXMP-GFCCVEGCSA-N -1 3 309.793 4.065 20 0 DIADHM Cc1ccc2[nH]c(CN[C@@H](CC(=O)[O-])c3ccccc3)cc2c1C ZINC000426820874 332157499 /nfs/dbraw/zinc/15/74/99/332157499.db2.gz NXQOEXYENMAZSN-IBGZPJMESA-N -1 3 322.408 4.090 20 0 DIADHM Cc1ccc2[nH]c(CN[C@H](CC(=O)[O-])c3ccccc3)cc2c1C ZINC000426820875 332157619 /nfs/dbraw/zinc/15/76/19/332157619.db2.gz NXQOEXYENMAZSN-LJQANCHMSA-N -1 3 322.408 4.090 20 0 DIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000426824603 332157852 /nfs/dbraw/zinc/15/78/52/332157852.db2.gz IWCLNKLOGLBUNY-KRWDZBQOSA-N -1 3 317.816 4.262 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000569596553 332190757 /nfs/dbraw/zinc/19/07/57/332190757.db2.gz GXOQRLYRIQTQPS-AWEZNQCLSA-N -1 3 317.816 4.139 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c(Cl)cc1F ZINC000554363796 332207363 /nfs/dbraw/zinc/20/73/63/332207363.db2.gz KVDXLBAARJPANC-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM O=C(Nc1ccccc1[O-])C1(c2ccc(F)cc2F)CCCC1 ZINC000536370422 332233736 /nfs/dbraw/zinc/23/37/36/332233736.db2.gz XNYMACIPWDERMW-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM CSCc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[n-]1 ZINC000105653899 332253375 /nfs/dbraw/zinc/25/33/75/332253375.db2.gz QRFYZWDOEBDOFX-UHFFFAOYSA-N -1 3 316.451 4.131 20 0 DIADHM CC(C)c1ccoc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000559580196 332272902 /nfs/dbraw/zinc/27/29/02/332272902.db2.gz PDOPUVKXQKGQJO-UHFFFAOYSA-N -1 3 313.275 4.380 20 0 DIADHM Cc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000566299117 332321923 /nfs/dbraw/zinc/32/19/23/332321923.db2.gz QPUKLWZGGXRDQM-GUYCJALGSA-N -1 3 317.816 4.200 20 0 DIADHM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000560613972 332368672 /nfs/dbraw/zinc/36/86/72/332368672.db2.gz WGXGCFHSJYXXRL-CYBMUJFWSA-N -1 3 315.388 4.472 20 0 DIADHM CC(C)Oc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000261795732 332372480 /nfs/dbraw/zinc/37/24/80/332372480.db2.gz UJEGUBCAXSHUJY-CQSZACIVSA-N -1 3 313.397 4.023 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000531135465 332634501 /nfs/dbraw/zinc/63/45/01/332634501.db2.gz YVTFWCZTVAFCDJ-NXEZZACHSA-N -1 3 323.726 4.066 20 0 DIADHM CCc1ncsc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000178634690 333017720 /nfs/dbraw/zinc/01/77/20/333017720.db2.gz IYHRRTPTYMHBLM-UHFFFAOYSA-N -1 3 312.847 4.333 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3cnc4ccsc4c3)no2)c1 ZINC000387948126 333186498 /nfs/dbraw/zinc/18/64/98/333186498.db2.gz VJVHMZINBKQSRR-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000388026063 333195498 /nfs/dbraw/zinc/19/54/98/333195498.db2.gz CGVXJWXVZZBSQQ-QGZVFWFLSA-N -1 3 301.361 4.011 20 0 DIADHM COc1cc(Cl)ccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000318956430 333232667 /nfs/dbraw/zinc/23/26/67/333232667.db2.gz DJSIUULLZWJUMB-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000390239992 333251804 /nfs/dbraw/zinc/25/18/04/333251804.db2.gz URVMGYZSKOECDC-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM CCCC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000497498525 333257052 /nfs/dbraw/zinc/25/70/52/333257052.db2.gz WJVLGEFEVXJQIX-UHFFFAOYSA-N -1 3 324.273 4.159 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cccc(Cl)c3Cl)n2)cc1 ZINC000020432793 333322596 /nfs/dbraw/zinc/32/25/96/333322596.db2.gz YVFOSTHBIAGXQY-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM Cc1ccc(C)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531254020 333338332 /nfs/dbraw/zinc/33/83/32/333338332.db2.gz HNZAIZRRJRPUNW-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000531310893 333341769 /nfs/dbraw/zinc/34/17/69/333341769.db2.gz UIDZLIAQCZPBQF-VIFPVBQESA-N -1 3 310.180 4.441 20 0 DIADHM Cc1cc(N2CCCC2)ccc1NCc1cc([O-])cc(F)c1 ZINC000184136487 333342363 /nfs/dbraw/zinc/34/23/63/333342363.db2.gz FRTLVMCZIRJOQC-UHFFFAOYSA-N -1 3 300.377 4.052 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1Br ZINC000184136369 333342378 /nfs/dbraw/zinc/34/23/78/333342378.db2.gz KREBGAASNGTJNC-SNVBAGLBSA-N -1 3 324.193 4.145 20 0 DIADHM Cc1cccc(C)c1NCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531311424 333343537 /nfs/dbraw/zinc/34/35/37/333343537.db2.gz WYYZFCDPLONGFI-UHFFFAOYSA-N -1 3 318.804 4.021 20 0 DIADHM COc1ccc([C@@H](C)CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000531419040 333350821 /nfs/dbraw/zinc/35/08/21/333350821.db2.gz KXQNPXSBKXEJGB-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c([O-])c1 ZINC000122562592 333448126 /nfs/dbraw/zinc/44/81/26/333448126.db2.gz BIHWBNIRPYBABE-GHMZBOCLSA-N -1 3 301.308 4.008 20 0 DIADHM CC(C)(CNCc1ccc(-c2ccccc2)cc1F)CC(=O)[O-] ZINC000426642815 333511226 /nfs/dbraw/zinc/51/12/26/333511226.db2.gz LLFFDAKFLPKZDO-UHFFFAOYSA-N -1 3 315.388 4.083 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)CSc2ccc(F)cc2)c([O-])c1 ZINC000531538545 333534271 /nfs/dbraw/zinc/53/42/71/333534271.db2.gz FJVYZWJIZKYCGL-LBPRGKRZSA-N -1 3 319.401 4.207 20 0 DIADHM CCCc1nc(C)c(C(=O)[N-]c2cc(Cl)cc(F)c2F)o1 ZINC000410824528 333597636 /nfs/dbraw/zinc/59/76/36/333597636.db2.gz SZKBVMROGRIZBE-UHFFFAOYSA-N -1 3 314.719 4.119 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2sccc2C(C)=O)on1 ZINC000410901181 333607806 /nfs/dbraw/zinc/60/78/06/333607806.db2.gz SFJGSKGDFZLVDV-UHFFFAOYSA-N -1 3 306.387 4.095 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)ccc1[O-] ZINC000413985733 333886378 /nfs/dbraw/zinc/88/63/78/333886378.db2.gz MFWLIDJBKQSHAM-GOSISDBHSA-N -1 3 321.420 4.111 20 0 DIADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@@H](C)Cc1ccsc1 ZINC000436838784 334005317 /nfs/dbraw/zinc/00/53/17/334005317.db2.gz LHTZFEUNODXYRF-ZDUSSCGKSA-N -1 3 317.454 4.164 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cc(F)c(F)c(F)c3)n2)cc1 ZINC000436872678 334013907 /nfs/dbraw/zinc/01/39/07/334013907.db2.gz UWRGPAMCDFCGQL-BHQIHCQQSA-N -1 3 318.254 4.030 20 0 DIADHM CC[C@]1(C)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571648705 334017108 /nfs/dbraw/zinc/01/71/08/334017108.db2.gz CCTXZNSXWOCCTF-UKRRQHHQSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H]1C[C@@]1(NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000414634380 334048848 /nfs/dbraw/zinc/04/88/48/334048848.db2.gz BQKOGPATEWAAAI-XIKOKIGWSA-N -1 3 315.800 4.063 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CNCCCCC(=O)[O-] ZINC000414671504 334065196 /nfs/dbraw/zinc/06/51/96/334065196.db2.gz BBTABLLZAXUDNE-UHFFFAOYSA-N -1 3 315.866 4.185 20 0 DIADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)c2c([O-])cccc21 ZINC000282799771 334137085 /nfs/dbraw/zinc/13/70/85/334137085.db2.gz RVBRDFKFHKJOER-VXGBXAGGSA-N -1 3 309.356 4.058 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000467511163 334265780 /nfs/dbraw/zinc/26/57/80/334265780.db2.gz GLRBVLHVTPTEKU-NSHDSACASA-N -1 3 323.314 4.462 20 0 DIADHM O=C(Nc1ccccc1[O-])C1(c2cccc(F)c2)CCCCC1 ZINC000534622319 334303183 /nfs/dbraw/zinc/30/31/83/334303183.db2.gz CGDPLRVSMYBQPI-UHFFFAOYSA-N -1 3 313.372 4.372 20 0 DIADHM Cc1ccc2[nH]c(-c3cc([O-])ccc3Br)nc2c1 ZINC000534628928 334304903 /nfs/dbraw/zinc/30/49/03/334304903.db2.gz YLAIYYDITLFLIM-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM Cc1ccc2nc(-c3cc([O-])ccc3Br)[nH]c2c1 ZINC000534628928 334304904 /nfs/dbraw/zinc/30/49/04/334304904.db2.gz YLAIYYDITLFLIM-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCC2 ZINC000111164880 334305325 /nfs/dbraw/zinc/30/53/25/334305325.db2.gz GCTKOZIOAODDKM-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM CC(C)c1cccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000111210546 334306301 /nfs/dbraw/zinc/30/63/01/334306301.db2.gz IDDVQWJDTCIOIC-UHFFFAOYSA-N -1 3 319.788 4.187 20 0 DIADHM O=C(C/C=C\c1cccc(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000534728120 334332415 /nfs/dbraw/zinc/33/24/15/334332415.db2.gz CSDBGODKNXYLHI-RQOWECAXSA-N -1 3 305.736 4.227 20 0 DIADHM [O-]c1ccccc1-c1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000111687693 334353665 /nfs/dbraw/zinc/35/36/65/334353665.db2.gz XAOIHHDOPUJFRE-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H]2CCCc3ccc(C(C)C)cc32)n1 ZINC000342819862 334581014 /nfs/dbraw/zinc/58/10/14/334581014.db2.gz FBIBHZZDAVGRFA-GOSISDBHSA-N -1 3 310.441 4.386 20 0 DIADHM Cc1ccc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)nc1C ZINC000416410606 334666939 /nfs/dbraw/zinc/66/69/39/334666939.db2.gz GIEMGBFBNPMWST-UHFFFAOYSA-N -1 3 313.426 4.373 20 0 DIADHM CCC(CC)N(CC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000344044824 335211971 /nfs/dbraw/zinc/21/19/71/335211971.db2.gz XNMRRECPULNXDE-UHFFFAOYSA-N -1 3 313.401 4.092 20 0 DIADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000344511747 335257738 /nfs/dbraw/zinc/25/77/38/335257738.db2.gz JIIYUKSCHCAHOU-KRWDZBQOSA-N -1 3 315.388 4.122 20 0 DIADHM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345133844 335304478 /nfs/dbraw/zinc/30/44/78/335304478.db2.gz MSTUFSICWFKLOO-CABCVRRESA-N -1 3 319.445 4.074 20 0 DIADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccsc1 ZINC000345174340 335304868 /nfs/dbraw/zinc/30/48/68/335304868.db2.gz YSAJMKMPSRKDMK-NEPJUHHUSA-N -1 3 301.411 4.098 20 0 DIADHM CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000468625293 335357532 /nfs/dbraw/zinc/35/75/32/335357532.db2.gz MUYBLRIFEWBFJB-AWEZNQCLSA-N -1 3 321.417 4.183 20 0 DIADHM CCSc1ccc(Cl)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345982733 335367303 /nfs/dbraw/zinc/36/73/03/335367303.db2.gz LOSYHGZRBYQONQ-UHFFFAOYSA-N -1 3 322.817 4.113 20 0 DIADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])sc2cccc(F)c12 ZINC000345999377 335368739 /nfs/dbraw/zinc/36/87/39/335368739.db2.gz VOPUSYXCTBMNAP-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM Cc1ncc(CN[C@@H](CCCC(C)C)c2ccccc2)c(=O)[n-]1 ZINC000346809379 335442647 /nfs/dbraw/zinc/44/26/47/335442647.db2.gz PKEBDGWENYZZFZ-SFHVURJKSA-N -1 3 313.445 4.148 20 0 DIADHM CC1(C)CCC(c2noc(-c3n[n-]nc3-c3ccccc3)n2)CC1 ZINC000347471590 335502314 /nfs/dbraw/zinc/50/23/14/335502314.db2.gz QRHRMAUUKJAKQX-UHFFFAOYSA-N -1 3 323.400 4.206 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000518970822 335755634 /nfs/dbraw/zinc/75/56/34/335755634.db2.gz PISXVCMZFIKSEE-GHMZBOCLSA-N -1 3 322.191 4.441 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000518970823 335755656 /nfs/dbraw/zinc/75/56/56/335755656.db2.gz PISXVCMZFIKSEE-MNOVXSKESA-N -1 3 322.191 4.441 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c([O-])c1 ZINC000445577451 338500798 /nfs/dbraw/zinc/50/07/98/338500798.db2.gz QXAQYKXGSYJUGK-UHFFFAOYSA-N -1 3 320.352 4.109 20 0 DIADHM CCC[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922880 335888710 /nfs/dbraw/zinc/88/87/10/335888710.db2.gz HOJVVITZROEZJD-VIFPVBQESA-N -1 3 305.296 4.056 20 0 DIADHM CCCCCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H](C)CCC ZINC000442939619 335928047 /nfs/dbraw/zinc/92/80/47/335928047.db2.gz ACCKMAUOSPVKME-AWEZNQCLSA-N -1 3 307.434 4.222 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000182550771 335952683 /nfs/dbraw/zinc/95/26/83/335952683.db2.gz KQPDZXDSPHZFCM-QWHCGFSZSA-N -1 3 317.816 4.310 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1coc(C2CCCC2)n1 ZINC000331866035 336151081 /nfs/dbraw/zinc/15/10/81/336151081.db2.gz AQJKTSFXMLYBLV-UHFFFAOYSA-N -1 3 310.275 4.002 20 0 DIADHM [O-]c1cc2c(cc1-c1nc([C@@H]3CCC(F)(F)C3)no1)CCCC2 ZINC000333029197 336196898 /nfs/dbraw/zinc/19/68/98/336196898.db2.gz HCJVYYCOXIGYDD-GFCCVEGCSA-N -1 3 320.339 4.224 20 0 DIADHM [O-]c1cc2c(cc1-c1nc([C@@H]3CCCCS3)no1)CCCC2 ZINC000333090257 336197872 /nfs/dbraw/zinc/19/78/72/336197872.db2.gz SMRYAHUUYZXMAU-HNNXBMFYSA-N -1 3 316.426 4.279 20 0 DIADHM Cc1cccc2[nH]cc(CC(=O)Nc3cc(Cl)ccc3[O-])c21 ZINC000103520829 336242254 /nfs/dbraw/zinc/24/22/54/336242254.db2.gz AEVZMVHGMPAYQS-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM COCc1ccccc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000352807813 336243138 /nfs/dbraw/zinc/24/31/38/336243138.db2.gz AKDXCOQQIQGIHC-UHFFFAOYSA-N -1 3 311.303 4.170 20 0 DIADHM C[C@@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1cccc(F)c1 ZINC000532838693 336272695 /nfs/dbraw/zinc/27/26/95/336272695.db2.gz ACYJFQJHHQHZCV-JTQLQIEISA-N -1 3 307.752 4.317 20 0 DIADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)c(F)c1 ZINC000532839449 336272743 /nfs/dbraw/zinc/27/27/43/336272743.db2.gz IOJOITNYTPLFTJ-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM COc1cccc([C@@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532840395 336272825 /nfs/dbraw/zinc/27/28/25/336272825.db2.gz QUWQMPAFFBFLRC-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM CC[C@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000352838281 336273618 /nfs/dbraw/zinc/27/36/18/336273618.db2.gz LTEADRJZXITBLD-LBPRGKRZSA-N -1 3 316.348 4.108 20 0 DIADHM CC[C@@H](NCc1cc([O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000352838280 336273645 /nfs/dbraw/zinc/27/36/45/336273645.db2.gz LTEADRJZXITBLD-GFCCVEGCSA-N -1 3 316.348 4.108 20 0 DIADHM CCc1cnccc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000325260014 336282019 /nfs/dbraw/zinc/28/20/19/336282019.db2.gz NMMSKXZTCWROHY-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM c1csc([C@@H]([N-]c2nc3ccccc3o2)c2ccccc2)n1 ZINC000301202998 336294712 /nfs/dbraw/zinc/29/47/12/336294712.db2.gz QEGKLLPKUWMETP-HNNXBMFYSA-N -1 3 307.378 4.486 20 0 DIADHM CC(C)c1noc([N-][C@@H]2CCCc3cc(OC(F)F)ccc32)n1 ZINC000301331111 336300949 /nfs/dbraw/zinc/30/09/49/336300949.db2.gz LMQIZWPFFMECDE-CYBMUJFWSA-N -1 3 323.343 4.284 20 0 DIADHM CC(C)c1noc([N-][C@H]2CCc3c2cccc3Br)n1 ZINC000301353492 336302086 /nfs/dbraw/zinc/30/20/86/336302086.db2.gz WXZUNCGOWCKMOD-LBPRGKRZSA-N -1 3 322.206 4.055 20 0 DIADHM COc1cccc(-c2noc([N-][C@H](C)c3ccc(C)s3)n2)c1 ZINC000301384084 336303828 /nfs/dbraw/zinc/30/38/28/336303828.db2.gz WEALWKAYDPMAAO-LLVKDONJSA-N -1 3 315.398 4.288 20 0 DIADHM Cc1cccc([C@H]([N-]c2noc(C(C)(C)C)n2)c2ccccn2)c1 ZINC000302154494 336351190 /nfs/dbraw/zinc/35/11/90/336351190.db2.gz LYMYQZZURVYQNV-INIZCTEOSA-N -1 3 322.412 4.272 20 0 DIADHM CCC(C)(C)c1ccc(CN2CCC(CC(=O)[O-])CC2)cc1 ZINC000514608809 336386058 /nfs/dbraw/zinc/38/60/58/336386058.db2.gz AITFOJJIIAZIQT-UHFFFAOYSA-N -1 3 303.446 4.061 20 0 DIADHM C[C@@H]1C[C@@H](C)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000514609176 336386185 /nfs/dbraw/zinc/38/61/85/336386185.db2.gz IGVUJFUQXMZPAD-RULNRJAQSA-N -1 3 316.228 4.097 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000357446560 336585471 /nfs/dbraw/zinc/58/54/71/336585471.db2.gz XGUBSVGRVKDERE-GOSISDBHSA-N -1 3 309.409 4.020 20 0 DIADHM C[C@H]1CCCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582791066 337168502 /nfs/dbraw/zinc/16/85/02/337168502.db2.gz PBYMLRQRBDMCGL-HZMBPMFUSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1ccccc1-c1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000182407246 337188378 /nfs/dbraw/zinc/18/83/78/337188378.db2.gz WDAOMYUCWHYGMY-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000582910250 337216661 /nfs/dbraw/zinc/21/66/61/337216661.db2.gz GGLAPLNNNRYKFC-YCPHGPKFSA-N -1 3 313.397 4.164 20 0 DIADHM Cc1cc([C@H](C)N2CCC[C@@H]2c2ccsc2)oc1C(=O)[O-] ZINC000583029681 337230895 /nfs/dbraw/zinc/23/08/95/337230895.db2.gz ANLJWKSUABGOLO-WCQYABFASA-N -1 3 305.399 4.246 20 0 DIADHM CC1(C)CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000583029710 337230972 /nfs/dbraw/zinc/23/09/72/337230972.db2.gz BFQKDRYDKLKKMF-CQSZACIVSA-N -1 3 313.800 4.117 20 0 DIADHM Cc1cc([C@H](C)N2CCC[C@H]2c2ccsc2)oc1C(=O)[O-] ZINC000583029679 337231005 /nfs/dbraw/zinc/23/10/05/337231005.db2.gz ANLJWKSUABGOLO-AAEUAGOBSA-N -1 3 305.399 4.246 20 0 DIADHM O=C(C/C=C\c1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000583113047 337238515 /nfs/dbraw/zinc/23/85/15/337238515.db2.gz SIGAPGJCSJTJIN-IWQZZHSRSA-N -1 3 305.736 4.227 20 0 DIADHM CCSc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000583158318 337247842 /nfs/dbraw/zinc/24/78/42/337247842.db2.gz MRXAEWYJEYWOHX-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(-c2cccnc2)cc1 ZINC000185564312 337249026 /nfs/dbraw/zinc/24/90/26/337249026.db2.gz IEPGQMCHJGQKAJ-AWEZNQCLSA-N -1 3 322.383 4.444 20 0 DIADHM CCc1nc2c(s1)[C@H](N(C)Cc1cc([O-])cc(F)c1)CCC2 ZINC000186250791 337254985 /nfs/dbraw/zinc/25/49/85/337254985.db2.gz IGVUTDMDRDEFPC-OAHLLOKOSA-N -1 3 320.433 4.060 20 0 DIADHM CC(C)CSCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525928665 337277860 /nfs/dbraw/zinc/27/78/60/337277860.db2.gz LJEILEZRNAJISY-UHFFFAOYSA-N -1 3 317.454 4.055 20 0 DIADHM CCN(Cc1occc1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000584475122 337346323 /nfs/dbraw/zinc/34/63/23/337346323.db2.gz VIZBANPUVFIWLC-LBPRGKRZSA-N -1 3 313.353 4.307 20 0 DIADHM CC(C)CC1(C)CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000583883947 337380777 /nfs/dbraw/zinc/38/07/77/337380777.db2.gz NPDJSCIYTDEZOD-UHFFFAOYSA-N -1 3 307.409 4.172 20 0 DIADHM C[C@@H]1CCN(C(=O)CCc2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000425034743 337400647 /nfs/dbraw/zinc/40/06/47/337400647.db2.gz DOCJYDUCUJQZDW-HUUCEWRRSA-N -1 3 311.425 4.125 20 0 DIADHM Cc1ccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c(F)c1 ZINC000445387364 337523458 /nfs/dbraw/zinc/52/34/58/337523458.db2.gz VWADCVPGTCXUSP-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2CCc3sc(Cl)cc32)c1F ZINC000571946558 337583852 /nfs/dbraw/zinc/58/38/52/337583852.db2.gz BSRHJGGRLUVEGS-JTQLQIEISA-N -1 3 315.772 4.162 20 0 DIADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000263392239 337627545 /nfs/dbraw/zinc/62/75/45/337627545.db2.gz FPODNEOQZNFXHS-KRWDZBQOSA-N -1 3 319.351 4.150 20 0 DIADHM Cc1cc([C@@H](NCc2cccc(C(=O)[O-])c2)C2CC2)ccc1F ZINC000263399946 337627801 /nfs/dbraw/zinc/62/78/01/337627801.db2.gz HRTRFQOGKXNALB-SFHVURJKSA-N -1 3 313.372 4.073 20 0 DIADHM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000263410438 337628123 /nfs/dbraw/zinc/62/81/23/337628123.db2.gz LGADTMYFQDKECO-SFHVURJKSA-N -1 3 313.372 4.155 20 0 DIADHM CCOc1cc(-c2noc([C@@H]3CCC(C)(C)C3)n2)ccc1[O-] ZINC000445415090 337683082 /nfs/dbraw/zinc/68/30/82/337683082.db2.gz AINIVYYUDWZNCD-GFCCVEGCSA-N -1 3 302.374 4.135 20 0 DIADHM CCOc1cc(-c2noc(-c3csc(C)c3C)n2)ccc1[O-] ZINC000445427387 337727702 /nfs/dbraw/zinc/72/77/02/337727702.db2.gz OTIHOEIOENITAG-UHFFFAOYSA-N -1 3 316.382 4.186 20 0 DIADHM CCOc1cc(-c2noc(-c3cc4ccccc4o3)n2)ccc1[O-] ZINC000445430965 337730401 /nfs/dbraw/zinc/73/04/01/337730401.db2.gz MAOSHVSUFONTBL-UHFFFAOYSA-N -1 3 322.320 4.254 20 0 DIADHM CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159491 337832004 /nfs/dbraw/zinc/83/20/04/337832004.db2.gz DQLRMSCEYWHMHY-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM CC(C)(C)OCc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000536884215 337845713 /nfs/dbraw/zinc/84/57/13/337845713.db2.gz BTAOFBZSQSMTDZ-UHFFFAOYSA-N -1 3 317.360 4.099 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1[O-] ZINC000537639702 337954617 /nfs/dbraw/zinc/95/46/17/337954617.db2.gz DZIXVRBKUWMYIA-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM Cc1ccnc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)c1 ZINC000514820398 337971190 /nfs/dbraw/zinc/97/11/90/337971190.db2.gz LZNGJWBEQVWXFM-UHFFFAOYSA-N -1 3 316.773 4.303 20 0 DIADHM CC(C)(C)Oc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000514893999 337973470 /nfs/dbraw/zinc/97/34/70/337973470.db2.gz QIUFIVHCTBEOSI-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([O-])c1 ZINC000084831101 338005241 /nfs/dbraw/zinc/00/52/41/338005241.db2.gz ZLRNJCKHPHNUKZ-UHFFFAOYSA-N -1 3 305.333 4.437 20 0 DIADHM O=C([O-])C[C@H](NCc1ccc2ccccc2c1)c1ccsc1 ZINC000426686014 338038148 /nfs/dbraw/zinc/03/81/48/338038148.db2.gz BEZQJRFKEPUXCR-KRWDZBQOSA-N -1 3 311.406 4.207 20 0 DIADHM Cc1cccc([C@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])c1C ZINC000426716281 338038964 /nfs/dbraw/zinc/03/89/64/338038964.db2.gz LOTLITYLGVLQPO-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000426721696 338039277 /nfs/dbraw/zinc/03/92/77/338039277.db2.gz DAVFKXTXRXICMR-MEDUHNTESA-N -1 3 321.779 4.031 20 0 DIADHM Cc1cccc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1C ZINC000426726992 338039454 /nfs/dbraw/zinc/03/94/54/338039454.db2.gz LWXQPFZCHAAMJR-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc(Cl)cc2C)C(=O)[O-])c1C ZINC000426729138 338039554 /nfs/dbraw/zinc/03/95/54/338039554.db2.gz AGBTWOBHQOJZKB-QGZVFWFLSA-N -1 3 317.816 4.181 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc3ccccc3c2)C(=O)[O-])c1C ZINC000426731909 338039735 /nfs/dbraw/zinc/03/97/35/338039735.db2.gz QRWZJKPEXATQMQ-HXUWFJFHSA-N -1 3 319.404 4.372 20 0 DIADHM Cc1cccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1C ZINC000426742878 338040268 /nfs/dbraw/zinc/04/02/68/338040268.db2.gz RCYSRHHELWHNAX-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426744191 338040399 /nfs/dbraw/zinc/04/03/99/338040399.db2.gz WCKGPPWLIAEILL-CYBMUJFWSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cc(C)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000426751701 338040748 /nfs/dbraw/zinc/04/07/48/338040748.db2.gz XLBOBFMJLVKNRR-VQIMIIECSA-N -1 3 311.425 4.163 20 0 DIADHM C=Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC000430330746 338105136 /nfs/dbraw/zinc/10/51/36/338105136.db2.gz JTJPCZCEZXBQOU-UHFFFAOYSA-N -1 3 323.270 4.186 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC000430507237 338107936 /nfs/dbraw/zinc/10/79/36/338107936.db2.gz CJWIEBLTXHKDLU-UHFFFAOYSA-N -1 3 313.397 4.018 20 0 DIADHM Cc1ccc2c(c1)nc(-c1cc([O-])ccc1Br)n2C ZINC000431188378 338125401 /nfs/dbraw/zinc/12/54/01/338125401.db2.gz AZHRBZVYFQRGMI-UHFFFAOYSA-N -1 3 317.186 4.017 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ccccc1 ZINC000431523280 338133047 /nfs/dbraw/zinc/13/30/47/338133047.db2.gz KRSCOSQFQFRTEO-MRXNPFEDSA-N -1 3 301.773 4.023 20 0 DIADHM Cc1ccccc1C(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000431782845 338138694 /nfs/dbraw/zinc/13/86/94/338138694.db2.gz HDRMBQKAEXVEMJ-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM [O-]c1ccc(CNCc2csc(Cl)c2Cl)cc1F ZINC000432238645 338149794 /nfs/dbraw/zinc/14/97/94/338149794.db2.gz TUTAUNBOMMYIMH-UHFFFAOYSA-N -1 3 306.189 4.189 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1c(Cl)cc(F)cc1Cl ZINC000432998851 338175768 /nfs/dbraw/zinc/17/57/68/338175768.db2.gz JSRUZXVBUBETMO-UHFFFAOYSA-N -1 3 317.147 4.244 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(Cl)c2)CC)n1 ZINC000435335568 338237198 /nfs/dbraw/zinc/23/71/98/338237198.db2.gz JASXKOWYGLNNIM-UKTHLTGXSA-N -1 3 302.805 4.326 20 0 DIADHM C[C@@H]1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@H]1c1ccccc1 ZINC000435761465 338248164 /nfs/dbraw/zinc/24/81/64/338248164.db2.gz MXOYICVDOAPBTQ-JQAFLVLXSA-N -1 3 301.773 4.034 20 0 DIADHM Cc1ccc([C@H](C)c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435949773 338253921 /nfs/dbraw/zinc/25/39/21/338253921.db2.gz TWYDMCYLFFDQRO-ZHZWZMEUSA-N -1 3 306.365 4.406 20 0 DIADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000436481852 338273732 /nfs/dbraw/zinc/27/37/32/338273732.db2.gz BJXBHOTTXNSFDV-ZDUSSCGKSA-N -1 3 301.361 4.063 20 0 DIADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000436486259 338273903 /nfs/dbraw/zinc/27/39/03/338273903.db2.gz JEXUWTJIUWAQRF-CYBMUJFWSA-N -1 3 301.361 4.063 20 0 DIADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000436486263 338273942 /nfs/dbraw/zinc/27/39/42/338273942.db2.gz JEXUWTJIUWAQRF-ZDUSSCGKSA-N -1 3 301.361 4.063 20 0 DIADHM Cc1ccc(OCCCc2nc(-c3ccc([O-])cc3)no2)cc1C ZINC000436529877 338275312 /nfs/dbraw/zinc/27/53/12/338275312.db2.gz CPKUIKVVINHEQA-UHFFFAOYSA-N -1 3 324.380 4.071 20 0 DIADHM Cn1cc(/C=C\c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436530380 338275333 /nfs/dbraw/zinc/27/53/33/338275333.db2.gz DSLDZROHRZTIOU-FLIBITNWSA-N -1 3 317.348 4.104 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(Cl)cc3F)no2)c1[O-] ZINC000436535730 338275658 /nfs/dbraw/zinc/27/56/58/338275658.db2.gz SFSRXSLPWSGWEV-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1noc(C)c1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436537434 338275989 /nfs/dbraw/zinc/27/59/89/338275989.db2.gz HBXURLOJQWZMFP-UHFFFAOYSA-N -1 3 324.336 4.042 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c([O-])c1 ZINC000436541845 338276085 /nfs/dbraw/zinc/27/60/85/338276085.db2.gz ZFHDLGPRCOWQJF-KWOWKCNFSA-N -1 3 313.441 4.166 20 0 DIADHM CCCN(C(=O)c1ccccc1[O-])[C@H](C)c1ccccc1OC ZINC000436540257 338276131 /nfs/dbraw/zinc/27/61/31/338276131.db2.gz OUXZNGASXDKIDX-CQSZACIVSA-N -1 3 313.397 4.014 20 0 DIADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000436541025 338276157 /nfs/dbraw/zinc/27/61/57/338276157.db2.gz VJHVSNXTIJMRQI-QGZVFWFLSA-N -1 3 313.397 4.014 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c([O-])c1 ZINC000436542606 338276334 /nfs/dbraw/zinc/27/63/34/338276334.db2.gz AHIXXPNFHGRILT-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c([O-])c1C ZINC000436550500 338276762 /nfs/dbraw/zinc/27/67/62/338276762.db2.gz IUTMYGUVVGHCIO-QGZVFWFLSA-N -1 3 313.372 4.125 20 0 DIADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000436551756 338276785 /nfs/dbraw/zinc/27/67/85/338276785.db2.gz RZFRTKPDOFRWGB-FRFSOERESA-N -1 3 301.430 4.309 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436552787 338276811 /nfs/dbraw/zinc/27/68/11/338276811.db2.gz CWTOEBOZHAYIFZ-UHOSZYNNSA-N -1 3 321.420 4.109 20 0 DIADHM O=C(c1ccccc1[O-])N(Cc1cccc(F)c1)C1CCCC1 ZINC000436557098 338276829 /nfs/dbraw/zinc/27/68/29/338276829.db2.gz VFTTYMNTOPEWAX-UHFFFAOYSA-N -1 3 313.372 4.116 20 0 DIADHM Cc1ccc(C(=O)N2CCC(c3ccccc3C)CC2)c([O-])c1 ZINC000436559981 338277122 /nfs/dbraw/zinc/27/71/22/338277122.db2.gz ZKCIKKBGSBRGCL-UHFFFAOYSA-N -1 3 309.409 4.029 20 0 DIADHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C(C)C ZINC000436563924 338277188 /nfs/dbraw/zinc/27/71/88/338277188.db2.gz NFEXIKUNGYWFHU-UHFFFAOYSA-N -1 3 311.425 4.048 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3F)no2)c1 ZINC000436565136 338277262 /nfs/dbraw/zinc/27/72/62/338277262.db2.gz RYHABQPSDFVLKD-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1ccc(C(=O)N(C)CCCCc2ccccc2)c([O-])c1C ZINC000436567618 338277419 /nfs/dbraw/zinc/27/74/19/338277419.db2.gz YBRWPAGYBYRXGQ-UHFFFAOYSA-N -1 3 311.425 4.104 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(C)c2[O-])o1 ZINC000436571073 338277568 /nfs/dbraw/zinc/27/75/68/338277568.db2.gz BZYQPENVQPKEHO-BLLLJJGKSA-N -1 3 313.397 4.215 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436572527 338277741 /nfs/dbraw/zinc/27/77/41/338277741.db2.gz ZKRNAFKXEBSIRG-INIZCTEOSA-N -1 3 315.800 4.195 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1[O-] ZINC000436574469 338277751 /nfs/dbraw/zinc/27/77/51/338277751.db2.gz LZUAGFXQWXNJFB-SJKOYZFVSA-N -1 3 313.372 4.063 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000436580101 338278150 /nfs/dbraw/zinc/27/81/50/338278150.db2.gz FDVWWZFKNCNVMY-GASCZTMLSA-N -1 3 323.392 4.057 20 0 DIADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C)cc1[O-] ZINC000436583879 338278281 /nfs/dbraw/zinc/27/82/81/338278281.db2.gz KVMCHEUWXADVGZ-QGZVFWFLSA-N -1 3 311.425 4.184 20 0 DIADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cccc(C)c1[O-] ZINC000436581829 338278471 /nfs/dbraw/zinc/27/84/71/338278471.db2.gz GBFNHLSCNPVZKK-QGZVFWFLSA-N -1 3 311.425 4.184 20 0 DIADHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436588978 338278713 /nfs/dbraw/zinc/27/87/13/338278713.db2.gz JEIBPZDXYRCTOC-QGZVFWFLSA-N -1 3 311.425 4.102 20 0 DIADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436589126 338278806 /nfs/dbraw/zinc/27/88/06/338278806.db2.gz VKTHFLPBGBCUGI-RDJZCZTQSA-N -1 3 309.409 4.048 20 0 DIADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436590105 338278831 /nfs/dbraw/zinc/27/88/31/338278831.db2.gz RGHRLVYBCHLTBL-UHFFFAOYSA-N -1 3 311.425 4.059 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](CC)Cc2ccccc2)c1 ZINC000436590909 338278847 /nfs/dbraw/zinc/27/88/47/338278847.db2.gz ORIPRKMLXXENED-KRWDZBQOSA-N -1 3 311.425 4.048 20 0 DIADHM CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436594172 338279104 /nfs/dbraw/zinc/27/91/04/338279104.db2.gz FTNGTSYINREJJC-UHFFFAOYSA-N -1 3 323.436 4.050 20 0 DIADHM CCc1c(NC(=O)c2ccc([O-])c(C)c2)cnn1C(CC)CC ZINC000436598182 338279256 /nfs/dbraw/zinc/27/92/56/338279256.db2.gz YHMYZDFOCODIGI-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM CC[C@H](SC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436603313 338279410 /nfs/dbraw/zinc/27/94/10/338279410.db2.gz AQGBIEXBHIIZKW-AWEZNQCLSA-N -1 3 300.383 4.410 20 0 DIADHM CC(=O)CCC(C)(C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436607555 338279643 /nfs/dbraw/zinc/27/96/43/338279643.db2.gz GDFDSLIKXMMVPM-UHFFFAOYSA-N -1 3 324.380 4.242 20 0 DIADHM C[C@H](c1nc(-c2ccc([O-])c3ccccc23)no1)C(F)(F)F ZINC000436608079 338279718 /nfs/dbraw/zinc/27/97/18/338279718.db2.gz JNNGQEVTTRPUBI-MRVPVSSYSA-N -1 3 308.259 4.261 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1O ZINC000436613325 338279924 /nfs/dbraw/zinc/27/99/24/338279924.db2.gz PSGGLYBLLVRBEE-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc43)n2)c2ccccc12 ZINC000436613560 338280004 /nfs/dbraw/zinc/28/00/04/338280004.db2.gz RANHRVWRHAODJC-QGZVFWFLSA-N -1 3 314.344 4.283 20 0 DIADHM Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c([O-])c1C ZINC000436623782 338280480 /nfs/dbraw/zinc/28/04/80/338280480.db2.gz HOTDKAHMVAKCCC-UHFFFAOYSA-N -1 3 323.436 4.104 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c([O-])c1C ZINC000436637238 338280966 /nfs/dbraw/zinc/28/09/66/338280966.db2.gz UOAUEWZWLMUUKD-UHFFFAOYSA-N -1 3 311.425 4.405 20 0 DIADHM CCOc1cc(-c2nc3cc(F)c(F)cc3[nH]2)cc(Cl)c1[O-] ZINC000436656272 338281774 /nfs/dbraw/zinc/28/17/74/338281774.db2.gz MGGLZODTAKUKLT-UHFFFAOYSA-N -1 3 324.714 4.266 20 0 DIADHM CCCOc1cc(C)ccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436684077 338282633 /nfs/dbraw/zinc/28/26/33/338282633.db2.gz XIHKRRCOOBXHGC-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM 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CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@H]1CCCC[C@@H]1C ZINC000509321342 340266222 /nfs/dbraw/zinc/26/62/22/340266222.db2.gz JPOJMVOVGNSQHE-LRDDRELGSA-N -1 3 309.837 4.015 20 0 DIADHM CC(=O)c1ccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)cc1F ZINC000510091563 340288480 /nfs/dbraw/zinc/28/84/80/340288480.db2.gz ZNTMVVJKUHFRAY-UHFFFAOYSA-N -1 3 324.355 4.468 20 0 DIADHM CC(C)(C)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000510344766 340296529 /nfs/dbraw/zinc/29/65/29/340296529.db2.gz DPPPUOBOSDCGTM-UHFFFAOYSA-N -1 3 305.368 4.258 20 0 DIADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)c(OC(C)C)c1 ZINC000511673673 340334877 /nfs/dbraw/zinc/33/48/77/340334877.db2.gz VPLGNDNJYYKAQF-UHFFFAOYSA-N -1 3 321.367 4.056 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(C(F)(F)F)cc2)c1F ZINC000511993879 340344759 /nfs/dbraw/zinc/34/47/59/340344759.db2.gz YPHUDCFARYABGS-UHFFFAOYSA-N -1 3 303.230 4.301 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1[O-] ZINC000303760373 340344945 /nfs/dbraw/zinc/34/49/45/340344945.db2.gz OFYSBBVEZIZEJT-JKSUJKDBSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[O-] ZINC000303760369 340345000 /nfs/dbraw/zinc/34/50/00/340345000.db2.gz OFYSBBVEZIZEJT-HOTGVXAUSA-N -1 3 309.409 4.027 20 0 DIADHM [O-]c1cccc(/C=C/c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1 ZINC000512024637 340345708 /nfs/dbraw/zinc/34/57/08/340345708.db2.gz MUEAEGJPGAPBFM-YXWZHEERSA-N -1 3 304.349 4.217 20 0 DIADHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000512028097 340345922 /nfs/dbraw/zinc/34/59/22/340345922.db2.gz ZBKJNQZBXJRHBT-PSASIEDQSA-N -1 3 324.273 4.015 20 0 DIADHM Cc1oc2ccccc2c1CCNCc1c(F)ccc([O-])c1F ZINC000512591248 340368152 /nfs/dbraw/zinc/36/81/52/340368152.db2.gz VZHWQETUIDWMBK-UHFFFAOYSA-N -1 3 317.335 4.057 20 0 DIADHM [O-]c1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1Cl ZINC000512616325 340369215 /nfs/dbraw/zinc/36/92/15/340369215.db2.gz FCZDIEVSLGIWMK-NSHDSACASA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1Cl ZINC000512616324 340369242 /nfs/dbraw/zinc/36/92/42/340369242.db2.gz FCZDIEVSLGIWMK-LLVKDONJSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1c(F)cccc1F ZINC000174144624 340382926 /nfs/dbraw/zinc/38/29/26/340382926.db2.gz BYXMCHBGXCSVGY-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM Cc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1N1CCCC1 ZINC000516906170 340458438 /nfs/dbraw/zinc/45/84/38/340458438.db2.gz ANYZSFIXYPGLOW-UHFFFAOYSA-N -1 3 321.380 4.018 20 0 DIADHM CN(c1ccccc1NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000182810917 340485447 /nfs/dbraw/zinc/48/54/47/340485447.db2.gz VNNJLUMIEZKSCA-UHFFFAOYSA-N -1 3 310.397 4.023 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CSCc1ccccc1 ZINC000183028966 340486131 /nfs/dbraw/zinc/48/61/31/340486131.db2.gz ICBVHWSXHUOYLU-CQSZACIVSA-N -1 3 315.438 4.209 20 0 DIADHM Cc1ccc(Br)cc1C(=O)Nc1c(C)cccc1[O-] ZINC000183022123 340486192 /nfs/dbraw/zinc/48/61/92/340486192.db2.gz RAHWBBMDKAIEPF-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CCSc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000185513911 340502193 /nfs/dbraw/zinc/50/21/93/340502193.db2.gz OZDSXTMUBZWGNS-GFCCVEGCSA-N -1 3 305.418 4.494 20 0 DIADHM Cc1coc(-c2ccc(C)c(NCc3cc([O-])cc(F)c3)c2)n1 ZINC000185600865 340503408 /nfs/dbraw/zinc/50/34/08/340503408.db2.gz HZDVVWHICIYSLF-UHFFFAOYSA-N -1 3 312.344 4.415 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccccc2Cl)c2c([O-])cccc21 ZINC000186286635 340510659 /nfs/dbraw/zinc/51/06/59/340510659.db2.gz VVPYTFYOKKCDMZ-NSHDSACASA-N -1 3 301.773 4.200 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000522219883 340589343 /nfs/dbraw/zinc/58/93/43/340589343.db2.gz UONDZJAWDLZFKQ-UHFFFAOYSA-N -1 3 319.763 4.317 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H]2Cc3ccccc3S2)c1[O-] ZINC000522632088 340606144 /nfs/dbraw/zinc/60/61/44/340606144.db2.gz HPEXZRWGLZMPLW-CQSZACIVSA-N -1 3 319.813 4.010 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)Cc2ccccc2Cl)c1[O-] ZINC000522631730 340606158 /nfs/dbraw/zinc/60/61/58/340606158.db2.gz OUVXQVVBFPQXOK-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000235207119 340657710 /nfs/dbraw/zinc/65/77/10/340657710.db2.gz QAVLDSRZRIUHQG-SECBINFHSA-N -1 3 310.180 4.190 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1Cl ZINC000235207617 340657726 /nfs/dbraw/zinc/65/77/26/340657726.db2.gz SBRDCBQFBBKLDE-SECBINFHSA-N -1 3 310.180 4.190 20 0 DIADHM CCCOc1ccc(CCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000525237804 340696430 /nfs/dbraw/zinc/69/64/30/340696430.db2.gz RLVDSECIZSGXTP-UHFFFAOYSA-N -1 3 313.397 4.061 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c([O-])c1 ZINC000525237727 340696434 /nfs/dbraw/zinc/69/64/34/340696434.db2.gz BVDKRSVQENUUQM-ZDUSSCGKSA-N -1 3 301.361 4.047 20 0 DIADHM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)c2c([O-])cccc21 ZINC000529048751 340743581 /nfs/dbraw/zinc/74/35/81/340743581.db2.gz GJEPLIXEZYOBTQ-BYCMXARLSA-N -1 3 313.422 4.098 20 0 DIADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc([O-])c1F ZINC000128459195 340886979 /nfs/dbraw/zinc/88/69/79/340886979.db2.gz QAYPAIANLOUKDL-UHFFFAOYSA-N 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ZINC000552434305 341393494 /nfs/dbraw/zinc/39/34/94/341393494.db2.gz IVOCZRJPOJGMDI-RUDMXATFSA-N -1 3 301.773 4.478 20 0 DIADHM Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)c([O-])c1 ZINC000088239515 341398202 /nfs/dbraw/zinc/39/82/02/341398202.db2.gz GRBKBWGAPPDDLL-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCOc1cc(CNCc2ccc(F)c(C)c2)cc(Cl)c1[O-] ZINC000552695060 341402309 /nfs/dbraw/zinc/40/23/09/341402309.db2.gz UONHVMLLFXYEQB-UHFFFAOYSA-N -1 3 323.795 4.182 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)ccc1[O-] ZINC000553219761 341420477 /nfs/dbraw/zinc/42/04/77/341420477.db2.gz LGQBOZVKNBUEIE-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cc(Br)cs1 ZINC000145480288 341426358 /nfs/dbraw/zinc/42/63/58/341426358.db2.gz CIGIDZGPVSSHCR-UHFFFAOYSA-N -1 3 318.142 4.041 20 0 DIADHM Cc1ccc(C[C@@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000554954799 341470297 /nfs/dbraw/zinc/47/02/97/341470297.db2.gz RLJPAULUTLGWQN-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1c([N-]C(=O)[C@H](C)OCC(C)C)onc1C1CCCCC1 ZINC000565703174 341535672 /nfs/dbraw/zinc/53/56/72/341535672.db2.gz KEIBHTKXGZHQAM-ZDUSSCGKSA-N -1 3 308.422 4.030 20 0 DIADHM O=C([O-])CC1CCN(Cc2ccc(Cl)c3ccccc23)CC1 ZINC000565838782 341539774 /nfs/dbraw/zinc/53/97/74/341539774.db2.gz QOWNDNGOYMDEKP-UHFFFAOYSA-N -1 3 317.816 4.180 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(F)c1Cl ZINC000153590838 341575464 /nfs/dbraw/zinc/57/54/64/341575464.db2.gz HWXSVEIOBQTKNM-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153677049 341576860 /nfs/dbraw/zinc/57/68/60/341576860.db2.gz YZNGCIUVGAUVQP-RKDXNWHRSA-N -1 3 321.726 4.353 20 0 DIADHM Cc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c([O-])c1 ZINC000154887876 341597517 /nfs/dbraw/zinc/59/75/17/341597517.db2.gz YITIZTFUTJPDDN-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1c2cccc(C)c2oc1C(=O)N1CCCc2cccc([O-])c21 ZINC000155555445 341609208 /nfs/dbraw/zinc/60/92/08/341609208.db2.gz ZJSUMMGAADZCIY-UHFFFAOYSA-N -1 3 321.376 4.348 20 0 DIADHM C[C@H](NCC1CCC(C(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000567884833 341638655 /nfs/dbraw/zinc/63/86/55/341638655.db2.gz NTYCEZKJJDSSBL-HIFPTAJRSA-N -1 3 324.490 4.344 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)no1 ZINC000157947488 341648289 /nfs/dbraw/zinc/64/82/89/341648289.db2.gz BSFCLZNQEJCSIJ-UHFFFAOYSA-N -1 3 320.414 4.341 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)s1 ZINC000568150193 341654342 /nfs/dbraw/zinc/65/43/42/341654342.db2.gz XOANZNNXKAQEBP-UHFFFAOYSA-N -1 3 320.414 4.331 20 0 DIADHM CCc1cccc(-c2nc(Cc3cc4ccccc4o3)no2)c1[O-] ZINC000573392675 341727143 /nfs/dbraw/zinc/72/71/43/341727143.db2.gz YQUHNDNOEZLPTH-UHFFFAOYSA-N -1 3 320.348 4.342 20 0 DIADHM CSc1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000175838805 341847935 /nfs/dbraw/zinc/84/79/35/341847935.db2.gz NLQZWZNAGJYQKQ-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000283757752 534633916 /nfs/dbraw/zinc/63/39/16/534633916.db2.gz 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CC(C)[C@H]([N-]C(=O)C(C)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000815858364 1041998764 /nfs/dbraw/zinc/99/87/64/1041998764.db2.gz RKPAURWBROIWEU-NSHDSACASA-N -1 3 309.278 4.174 20 0 DIADHM CC(C)(F)c1cc([N-]C(=O)c2cc3cc(F)ccc3o2)no1 ZINC001135368822 1042019909 /nfs/dbraw/zinc/01/99/09/1042019909.db2.gz IFULXGGTHAGATI-UHFFFAOYSA-N -1 3 306.268 4.017 20 0 DIADHM CN(CCC1CCCCC1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652406717 1042038859 /nfs/dbraw/zinc/03/88/59/1042038859.db2.gz QRXQBDOOOPQLJU-UHFFFAOYSA-N -1 3 309.837 4.440 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(SC(F)F)cc1 ZINC001135601445 1042058355 /nfs/dbraw/zinc/05/83/55/1042058355.db2.gz JKJWZAJNMZFWLP-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM CCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1OCC ZINC000816522499 1042064630 /nfs/dbraw/zinc/06/46/30/1042064630.db2.gz BRVLKZYYVVDYBH-UHFFFAOYSA-N -1 3 323.339 4.080 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(OC(F)F)c(F)c2)c1F ZINC000816523153 1042065357 /nfs/dbraw/zinc/06/53/57/1042065357.db2.gz FGWSWUDCYKKKOF-UHFFFAOYSA-N -1 3 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[O-]c1ccc(Cl)c(F)c1CN[C@H]1CCCOc2ccccc21 ZINC000190915915 1045630723 /nfs/dbraw/zinc/63/07/23/1045630723.db2.gz PYCUCVSRMXMVGQ-AWEZNQCLSA-N -1 3 321.779 4.188 20 0 DIADHM C[C@H]1C[C@H](c2cccnc2)N(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191493155 1045716186 /nfs/dbraw/zinc/71/61/86/1045716186.db2.gz IZXJGTHESDNNLP-XHDPSFHLSA-N -1 3 320.795 4.163 20 0 DIADHM C/C=C\C[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000629873363 1045719087 /nfs/dbraw/zinc/71/90/87/1045719087.db2.gz RFOIRMWDUUZYTB-YPQKKHBXSA-N -1 3 319.420 4.059 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc3c2CCOC3)CC)n1 ZINC000901501232 1045752308 /nfs/dbraw/zinc/75/23/08/1045752308.db2.gz DUKQEIWIEOKFIC-SDNWHVSQSA-N -1 3 324.424 4.158 20 0 DIADHM CC(C)[C@H](CN1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901627423 1045779456 /nfs/dbraw/zinc/77/94/56/1045779456.db2.gz JIBMFOXDFUZPGJ-PMACEKPBSA-N -1 3 323.436 4.110 20 0 DIADHM CCCC1CCC(CN2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000901646857 1045785725 /nfs/dbraw/zinc/78/57/25/1045785725.db2.gz 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/nfs/dbraw/zinc/89/66/08/1045896608.db2.gz INOBMLHQVFKEDO-UHFFFAOYSA-N -1 3 319.401 4.215 20 0 DIADHM CCc1oc(CN[C@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000902081623 1045907397 /nfs/dbraw/zinc/90/73/97/1045907397.db2.gz JFVYISRFSRHUPD-KRWDZBQOSA-N -1 3 301.386 4.027 20 0 DIADHM C[C@@H](CCCC(C)(C)C(=O)[O-])NCc1c(F)cccc1Cl ZINC000902097536 1045911903 /nfs/dbraw/zinc/91/19/03/1045911903.db2.gz KAXKKBKVULPSJO-NSHDSACASA-N -1 3 315.816 4.238 20 0 DIADHM CCOc1ccccc1[C@@H](CC)NCc1cc(C(=O)[O-])cs1 ZINC000902118172 1045918134 /nfs/dbraw/zinc/91/81/34/1045918134.db2.gz IAEFZDRVXMRJJH-OAHLLOKOSA-N -1 3 319.426 4.086 20 0 DIADHM CC(C)Oc1ccc([C@@H](C)NCc2csc(C(=O)[O-])c2)cc1 ZINC000902174982 1045928928 /nfs/dbraw/zinc/92/89/28/1045928928.db2.gz CYSAZSDUILZSDM-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM Cc1oc(CN[C@@H](c2ccccc2C)C(C)C)cc1C(=O)[O-] ZINC000902250620 1045957524 /nfs/dbraw/zinc/95/75/24/1045957524.db2.gz QJJGBGVLXGKOGS-QGZVFWFLSA-N -1 3 301.386 4.082 20 0 DIADHM CC(C)Cc1ccc(CCCC(=O)[N-]OC2CCCC2)cc1 ZINC001137827788 1045975264 /nfs/dbraw/zinc/97/52/64/1045975264.db2.gz DNCBWBDRPFCXDH-UHFFFAOYSA-N -1 3 303.446 4.198 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c([O-])c1 ZINC001137826842 1045975767 /nfs/dbraw/zinc/97/57/67/1045975767.db2.gz ROHKFCNEQMTISO-UHFFFAOYSA-N -1 3 306.365 4.202 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c([O-])c1 ZINC001137834152 1045977720 /nfs/dbraw/zinc/97/77/20/1045977720.db2.gz XKLFGCVLKARHNX-DJJJIMSYSA-N -1 3 309.409 4.008 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c([O-])c1 ZINC001137834153 1045977805 /nfs/dbraw/zinc/97/78/05/1045977805.db2.gz XKLFGCVLKARHNX-ORAYPTAESA-N -1 3 309.409 4.008 20 0 DIADHM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@H]2C[C@@]2(F)c2ccccc2)C1 ZINC000902340431 1045980738 /nfs/dbraw/zinc/98/07/38/1045980738.db2.gz HMABTDRPNBVQRS-PCODUJHASA-N -1 3 319.420 4.027 20 0 DIADHM CC(C)CCC1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000902410559 1045992454 /nfs/dbraw/zinc/99/24/54/1045992454.db2.gz RSZIIVYNTNXGOW-FPLPWBNLSA-N -1 3 305.418 4.026 20 0 DIADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902530990 1046016311 /nfs/dbraw/zinc/01/63/11/1046016311.db2.gz BPQGESUACHTTEG-SNVBAGLBSA-N -1 3 315.335 4.024 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000756333478 1046065924 /nfs/dbraw/zinc/06/59/24/1046065924.db2.gz REKDAVDCOCNGFR-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c(C)o1 ZINC000756369496 1046071556 /nfs/dbraw/zinc/07/15/56/1046071556.db2.gz YRCHZFOWGPTFCR-GOSISDBHSA-N -1 3 315.413 4.325 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)c1[O-] ZINC001138084957 1046088294 /nfs/dbraw/zinc/08/82/94/1046088294.db2.gz PCMHBNUSCHPTAI-LIRRHRJNSA-N -1 3 323.436 4.398 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCC[C@H](C)c3ccccc32)cc1[O-] ZINC001138105965 1046092520 /nfs/dbraw/zinc/09/25/20/1046092520.db2.gz AEEYCAKKOJXXQT-ZDUSSCGKSA-N -1 3 323.392 4.139 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)c3ccccc32)c1 ZINC001138106240 1046093508 /nfs/dbraw/zinc/09/35/08/1046093508.db2.gz IGJKPYOFLPTUMF-CQSZACIVSA-N -1 3 309.409 4.499 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c([O-])c1 ZINC001138166006 1046111010 /nfs/dbraw/zinc/11/10/10/1046111010.db2.gz ZJVBTHMEFRHIMO-UHFFFAOYSA-N -1 3 321.323 4.018 20 0 DIADHM CCC(C)(C)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001138219115 1046121022 /nfs/dbraw/zinc/12/10/22/1046121022.db2.gz FVOLXDQAOVANMH-UHFFFAOYSA-N -1 3 313.397 4.351 20 0 DIADHM CCC1(C(=O)Nc2ccc(Br)cc2[O-])CCCC1 ZINC000532304263 1046131222 /nfs/dbraw/zinc/13/12/22/1046131222.db2.gz MSLGXJMRRNOUAT-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086784073 1046165241 /nfs/dbraw/zinc/16/52/41/1046165241.db2.gz WCNUUFSDNHIRKA-HNNXBMFYSA-N -1 3 316.228 4.070 20 0 DIADHM CC[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC001138452025 1046186681 /nfs/dbraw/zinc/18/66/81/1046186681.db2.gz LQTBBMWKKFDOSV-YJBOKZPZSA-N -1 3 323.436 4.244 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2cc(Cl)cs2)s1 ZINC000757820304 1046217985 /nfs/dbraw/zinc/21/79/85/1046217985.db2.gz WTWKKRXLIDRVME-UHFFFAOYSA-N -1 3 315.851 4.238 20 0 DIADHM CC[C@@H]1CCCCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903894246 1046337115 /nfs/dbraw/zinc/33/71/15/1046337115.db2.gz RLDOHSLBTFQZSJ-SNVBAGLBSA-N -1 3 319.323 4.151 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000666437720 1046344575 /nfs/dbraw/zinc/34/45/75/1046344575.db2.gz XONLOWUNRKIJCL-AWEZNQCLSA-N -1 3 319.451 4.153 20 0 DIADHM O=c1nc(-c2cc3cccnc3o2)[n-]c2sc3c(c21)CCCC3 ZINC000639412557 1046396417 /nfs/dbraw/zinc/39/64/17/1046396417.db2.gz IMMYPVJZSAGPIV-UHFFFAOYSA-N -1 3 323.377 4.084 20 0 DIADHM CCC[C@@H](C)[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096514 1046417392 /nfs/dbraw/zinc/41/73/92/1046417392.db2.gz DYXDALKRUZIFCF-SKDRFNHKSA-N -1 3 317.223 4.454 20 0 DIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1Cl ZINC000235902053 1046422618 /nfs/dbraw/zinc/42/26/18/1046422618.db2.gz BHUTVBHPEVVHMY-ZDUSSCGKSA-N -1 3 309.818 4.016 20 0 DIADHM COc1ccccc1CO[N-]C(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001139370574 1046440372 /nfs/dbraw/zinc/44/03/72/1046440372.db2.gz BRPPWXDTARJCDM-HUUCEWRRSA-N -1 3 319.445 4.096 20 0 DIADHM COc1ccccc1[C@H](C)Oc1cccc([O-])c1Br ZINC001229139884 1046453028 /nfs/dbraw/zinc/45/30/28/1046453028.db2.gz NCEXAZWHFUKBLJ-JTQLQIEISA-N -1 3 323.186 4.303 20 0 DIADHM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000677212449 1046474327 /nfs/dbraw/zinc/47/43/27/1046474327.db2.gz OTZXPIWZMSIDFI-UHFFFAOYSA-N -1 3 324.833 4.261 20 0 DIADHM COc1nccc([N-]c2nc3cc(Cl)ccc3o2)c1Cl ZINC001211940267 1046516589 /nfs/dbraw/zinc/51/65/89/1046516589.db2.gz HTVZOVKTDZHITN-UHFFFAOYSA-N -1 3 310.140 4.282 20 0 DIADHM CC(C)S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000133636845 1046541805 /nfs/dbraw/zinc/54/18/05/1046541805.db2.gz HABWOIYGFKHAIP-VIFPVBQESA-N -1 3 320.439 4.447 20 0 DIADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1ccc(C)o1 ZINC000642077886 1046558431 /nfs/dbraw/zinc/55/84/31/1046558431.db2.gz OUHFXLAYQLXYJR-ZDUSSCGKSA-N -1 3 317.385 4.003 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1 ZINC000642230642 1046582634 /nfs/dbraw/zinc/58/26/34/1046582634.db2.gz PWOPCCRCZZBXAY-UHFFFAOYSA-N -1 3 310.353 4.218 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000533159631 1046660197 /nfs/dbraw/zinc/66/01/97/1046660197.db2.gz MWNDJXXGRHPGGO-MNOVXSKESA-N -1 3 323.726 4.066 20 0 DIADHM O=C([N-]OC1CCCCC1)C1(Cc2ccccc2Cl)CC1 ZINC000784533494 1046695437 /nfs/dbraw/zinc/69/54/37/1046695437.db2.gz IDJFSPRWGXGKOR-UHFFFAOYSA-N -1 3 307.821 4.043 20 0 DIADHM Cc1[nH]c(CN(C)Cc2ccc3ccccc3c2)c(C)c1C(=O)[O-] ZINC001140496640 1046753060 /nfs/dbraw/zinc/75/30/60/1046753060.db2.gz LDDMOPNZWSITTF-UHFFFAOYSA-N -1 3 322.408 4.115 20 0 DIADHM Cc1[nH]c(CN(C)Cc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001140495548 1046753269 /nfs/dbraw/zinc/75/32/69/1046753269.db2.gz VVSXPGLREFKYNB-UHFFFAOYSA-N -1 3 322.408 4.115 20 0 DIADHM Cc1[nH]c(CN2CCCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140493571 1046753769 /nfs/dbraw/zinc/75/37/69/1046753769.db2.gz DCCMRWXTNWFZOM-QGZVFWFLSA-N -1 3 312.413 4.057 20 0 DIADHM O=C([O-])c1ccccc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC001140502916 1046755035 /nfs/dbraw/zinc/75/50/35/1046755035.db2.gz HELILVFHAUHDOL-QGZVFWFLSA-N -1 3 315.800 4.375 20 0 DIADHM CN(Cc1ccccc1C(=O)[O-])Cc1ccccc1C(F)(F)F ZINC001140503518 1046757288 /nfs/dbraw/zinc/75/72/88/1046757288.db2.gz AMOISJQCPJGARL-UHFFFAOYSA-N -1 3 323.314 4.036 20 0 DIADHM O=C([O-])c1ccccc1CN1CCCC[C@H]1c1ccccc1F ZINC001140506493 1046757553 /nfs/dbraw/zinc/75/75/53/1046757553.db2.gz OCKPLTNJAKNEGK-SFHVURJKSA-N -1 3 313.372 4.251 20 0 DIADHM CCCOc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000645145793 1046767776 /nfs/dbraw/zinc/76/77/76/1046767776.db2.gz YPMOZNCTTPPUJJ-UHFFFAOYSA-N -1 3 305.805 4.124 20 0 DIADHM [O-]c1cccc(CNC2(c3ccc(F)cc3)CCC2)c1Cl ZINC000645151594 1046769221 /nfs/dbraw/zinc/76/92/21/1046769221.db2.gz DGHCDVMQAMHHQL-UHFFFAOYSA-N -1 3 305.780 4.354 20 0 DIADHM [O-]c1cccc(CNC2(c3ccc(Cl)cc3)CC2)c1Cl ZINC000645155161 1046769484 /nfs/dbraw/zinc/76/94/84/1046769484.db2.gz GFSOWPWCRAWGKX-UHFFFAOYSA-N -1 3 308.208 4.478 20 0 DIADHM [O-]c1cccc(CNCc2ccccc2OC2CCC2)c1Cl ZINC000645156582 1046769964 /nfs/dbraw/zinc/76/99/64/1046769964.db2.gz QHFSTTWTIHCJQS-UHFFFAOYSA-N -1 3 317.816 4.267 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCc3c2cccc3Cl)c1Cl ZINC000645150757 1046771427 /nfs/dbraw/zinc/77/14/27/1046771427.db2.gz HPCOETDKFVFDIX-AWEZNQCLSA-N -1 3 308.208 4.476 20 0 DIADHM Cc1ccccc1CN(C)Cc1cccc([O-])c1Br ZINC001140548896 1046776473 /nfs/dbraw/zinc/77/64/73/1046776473.db2.gz XKFJPRXVRJRGJU-UHFFFAOYSA-N -1 3 320.230 4.095 20 0 DIADHM [O-]c1ccc(Nc2ccc(C(F)(F)F)cc2O)c(F)c1F ZINC001212008849 1046814388 /nfs/dbraw/zinc/81/43/88/1046814388.db2.gz FSMGXZGGCHZUNX-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1ccc(Br)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009251 1046814926 /nfs/dbraw/zinc/81/49/26/1046814926.db2.gz KXLDEFGADSXPNR-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1ccc(Nc2cc(OC(F)(F)F)ccc2F)c(F)c1F ZINC001212007519 1046815978 /nfs/dbraw/zinc/81/59/78/1046815978.db2.gz KYPVZVQJMPLERC-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(Nc2ccc(OC(F)(F)F)cc2F)c(F)c1F ZINC001212011122 1046817957 /nfs/dbraw/zinc/81/79/57/1046817957.db2.gz TWERPOLPOWFHKA-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001140763734 1046887871 /nfs/dbraw/zinc/88/78/71/1046887871.db2.gz RIUGXWHIYTXNGT-MRXNPFEDSA-N -1 3 315.800 4.413 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c([O-])c1 ZINC000614962146 1046892092 /nfs/dbraw/zinc/89/20/92/1046892092.db2.gz ZBLFXBDIWCPPCK-INIZCTEOSA-N -1 3 315.800 4.331 20 0 DIADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000646488044 1046905221 /nfs/dbraw/zinc/90/52/21/1046905221.db2.gz ULMYMELSWZIVDI-JTQLQIEISA-N -1 3 307.752 4.317 20 0 DIADHM [O-]c1c(Cl)cc(CN2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001140834595 1046923734 /nfs/dbraw/zinc/92/37/34/1046923734.db2.gz QTUOZLDYIOZVNN-SMDDNHRTSA-N -1 3 300.229 4.464 20 0 DIADHM Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001140854235 1046930703 /nfs/dbraw/zinc/93/07/03/1046930703.db2.gz PWQZHZCKEWQJCT-MSOLQXFVSA-N -1 3 323.436 4.404 20 0 DIADHM Cc1ccc(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001140854236 1046930974 /nfs/dbraw/zinc/93/09/74/1046930974.db2.gz PWQZHZCKEWQJCT-QZTJIDSGSA-N -1 3 323.436 4.404 20 0 DIADHM CC1(c2ccccc2)CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140892709 1046942476 /nfs/dbraw/zinc/94/24/76/1046942476.db2.gz XPHIQNODIJCSFL-UHFFFAOYSA-N -1 3 317.379 4.224 20 0 DIADHM Cc1cccc(CN(Cc2ccc([O-])c(F)c2F)C2CC2)c1C ZINC001140895366 1046946154 /nfs/dbraw/zinc/94/61/54/1046946154.db2.gz PECWXDZCAYCSCJ-UHFFFAOYSA-N -1 3 317.379 4.452 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@@H](c3ccccc3Cl)C2)cc1F ZINC001140990914 1046970649 /nfs/dbraw/zinc/97/06/49/1046970649.db2.gz CVBXRNHQZSYSLC-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1ccc(CN(Cc2cccc([O-])c2Cl)CC2CC2)cn1 ZINC000648058062 1047031844 /nfs/dbraw/zinc/03/18/44/1047031844.db2.gz MECFZPLEOXHRGE-UHFFFAOYSA-N -1 3 316.832 4.161 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1C(F)(F)F ZINC000799891992 1047068286 /nfs/dbraw/zinc/06/82/86/1047068286.db2.gz KVKHRLPXBCRPAW-JFEAUALZSA-N -1 3 306.287 4.318 20 0 DIADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1C ZINC000536685020 1047069742 /nfs/dbraw/zinc/06/97/42/1047069742.db2.gz HTGROTHBBXOBGL-UHFFFAOYSA-N -1 3 309.409 4.246 20 0 DIADHM O=C(NC1(c2ccccc2)CCC1)c1cc2sccc2c([O-])c1 ZINC001141505938 1047150489 /nfs/dbraw/zinc/15/04/89/1047150489.db2.gz IFLDEACRNVEPJZ-UHFFFAOYSA-N -1 3 323.417 4.416 20 0 DIADHM O=C(NC1(c2ccccc2)CCC1)c1cc([O-])c2ccccc2c1 ZINC001141506108 1047150794 /nfs/dbraw/zinc/15/07/94/1047150794.db2.gz OVEZJPNKTTZTAR-UHFFFAOYSA-N -1 3 317.388 4.355 20 0 DIADHM Cc1cccc(CN(C)C(=O)c2cc3sccc3c([O-])c2)c1 ZINC001141517654 1047155700 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Cc1cnn(-c2ccc(C)cc2)c1Nc1c(F)ccc([O-])c1F ZINC001175265635 1048246151 /nfs/dbraw/zinc/24/61/51/1048246151.db2.gz JROVCTORUDTISA-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM Cc1ccc(Br)cc1Nc1c(F)ccc([O-])c1F ZINC001175267926 1048246244 /nfs/dbraw/zinc/24/62/44/1048246244.db2.gz DFFFNJSVLZBOGA-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Nc1cc(Nc2c(F)ccc([O-])c2F)cc(C(F)(F)F)c1 ZINC001175266379 1048246531 /nfs/dbraw/zinc/24/65/31/1048246531.db2.gz ZDRBMHMOGQIKJJ-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccnn2-c2ccc(Cl)cc2)c1F ZINC001175265007 1048247214 /nfs/dbraw/zinc/24/72/14/1048247214.db2.gz ANNRCMFWMRDZRI-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM CC(C)Nc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001201487839 1048280221 /nfs/dbraw/zinc/28/02/21/1048280221.db2.gz KZKWWRQJLTZEFR-UHFFFAOYSA-N -1 3 322.206 4.114 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175385698 1048293672 /nfs/dbraw/zinc/29/36/72/1048293672.db2.gz ZRGXHAJGQOXYFC-UHFFFAOYSA-N -1 3 309.621 4.485 20 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GVHPMLSBQSINQT-UHFFFAOYSA-N -1 3 314.291 4.468 20 0 DIADHM O=C(Nc1cc2ccccc2cc1[O-])Nc1c(F)cccc1F ZINC001202041573 1048443133 /nfs/dbraw/zinc/44/31/33/1048443133.db2.gz CSDHFTAGVJDSMO-UHFFFAOYSA-N -1 3 314.291 4.468 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Nc1ccc(Cl)cc1Cl ZINC001202082965 1048444793 /nfs/dbraw/zinc/44/47/93/1048444793.db2.gz WLPRDGJOKCWSER-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM [O-]c1cccc(CNc2cccc3cc[nH]c32)c1Br ZINC001202102532 1048450876 /nfs/dbraw/zinc/45/08/76/1048450876.db2.gz RAIUPNARGLDNPR-UHFFFAOYSA-N -1 3 317.186 4.248 20 0 DIADHM CC(C)(C)c1nnc([N-]c2cnn(C3CCCCC3)c2)s1 ZINC001175877751 1048467866 /nfs/dbraw/zinc/46/78/66/1048467866.db2.gz ASNASHGXSCFLOA-UHFFFAOYSA-N -1 3 305.451 4.281 20 0 DIADHM O=C(Nc1cccc(F)c1)Nc1c([O-])cccc1C(F)(F)F ZINC001202230288 1048497954 /nfs/dbraw/zinc/49/79/54/1048497954.db2.gz QEFVJBLVPXSCIM-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001202315767 1048521248 /nfs/dbraw/zinc/52/12/48/1048521248.db2.gz KWXLFMDDJKTNAT-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM COc1ccc(NC(=O)[N-]c2cc(-c3cccs3)no2)cc1 ZINC001202386179 1048526559 /nfs/dbraw/zinc/52/65/59/1048526559.db2.gz OLTMBLQFXLUUCW-UHFFFAOYSA-N -1 3 315.354 4.056 20 0 DIADHM CCN(CC)c1ccc(NC(=O)c2c(C)cccc2[O-])c(C)c1 ZINC001188648741 1048534480 /nfs/dbraw/zinc/53/44/80/1048534480.db2.gz MOUKVMQOTGRWNV-UHFFFAOYSA-N -1 3 312.413 4.108 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cc(Cl)cc2[nH]ccc21 ZINC001188655765 1048536354 /nfs/dbraw/zinc/53/63/54/1048536354.db2.gz ZZTILUHJDVJVFB-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3c(C)cccc3[O-])c2)cs1 ZINC001188638834 1048539353 /nfs/dbraw/zinc/53/93/53/1048539353.db2.gz QQJJYPWQUFVISD-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(Nc2cnn(Cc3cccs3)c2)c(Cl)c1[O-] ZINC001176161522 1048599473 /nfs/dbraw/zinc/59/94/73/1048599473.db2.gz BMJSQPAZIQLDPI-UHFFFAOYSA-N -1 3 319.817 4.404 20 0 DIADHM [O-]c1cccc(Nc2cnn(Cc3cccs3)c2)c1Cl ZINC001176163158 1048601423 /nfs/dbraw/zinc/60/14/23/1048601423.db2.gz UYSISOOIWBCHRN-UHFFFAOYSA-N -1 3 305.790 4.096 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)c1 ZINC001176441432 1048675052 /nfs/dbraw/zinc/67/50/52/1048675052.db2.gz PYUWTYHERZLWHU-UHFFFAOYSA-N -1 3 317.360 4.090 20 0 DIADHM C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1F ZINC001165593161 1048700592 /nfs/dbraw/zinc/70/05/92/1048700592.db2.gz JEILBAHXKYBASJ-JTQLQIEISA-N -1 3 304.390 4.193 20 0 DIADHM Cc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)oc1C(=O)[O-] ZINC000902123984 1048704222 /nfs/dbraw/zinc/70/42/22/1048704222.db2.gz VWGCMTNXWBRPTM-INIZCTEOSA-N -1 3 301.386 4.163 20 0 DIADHM CC(C)Oc1c(Cl)cc(Nc2cnc[n-]c2=O)cc1Cl ZINC001176527158 1048708639 /nfs/dbraw/zinc/70/86/39/1048708639.db2.gz CRILCQHGTQVUIK-UHFFFAOYSA-N -1 3 314.172 4.020 20 0 DIADHM CCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1[O-] ZINC001165697765 1048709431 /nfs/dbraw/zinc/70/94/31/1048709431.db2.gz QVUFBRDPBHZRBR-UHFFFAOYSA-N -1 3 301.430 4.141 20 0 DIADHM Cc1ccccc1-c1cccc(C(=O)Nc2cncc([O-])c2)c1 ZINC001190291034 1048717366 /nfs/dbraw/zinc/71/73/66/1048717366.db2.gz TYZJQXXWMSWTKQ-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(C(C)(C)C)cc2)[n-]1 ZINC001166030958 1048730077 /nfs/dbraw/zinc/73/00/77/1048730077.db2.gz YGUADJMAKRZIFU-NSHDSACASA-N -1 3 318.442 4.347 20 0 DIADHM Cc1c([O-])ccc2c(CSc3cccs3)cc(=O)oc12 ZINC000109708028 1048734240 /nfs/dbraw/zinc/73/42/40/1048734240.db2.gz AIMZNDDVMBNQPS-UHFFFAOYSA-N -1 3 304.392 4.161 20 0 DIADHM C[C@H](CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001166130729 1048735373 /nfs/dbraw/zinc/73/53/73/1048735373.db2.gz IKZAIGHFNKRUCE-GFCCVEGCSA-N -1 3 300.427 4.097 20 0 DIADHM O=C(OC[C@@H]1CCC1(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000851321884 1048768126 /nfs/dbraw/zinc/76/81/26/1048768126.db2.gz MWDAIRAEBUDKSP-ZETCQYMHSA-N -1 3 305.733 4.085 20 0 DIADHM COCOc1ccc(F)cc1Nc1ccc(C)c([O-])c1Cl ZINC001176722359 1048768724 /nfs/dbraw/zinc/76/87/24/1048768724.db2.gz VDIJSSMCZSNKPB-UHFFFAOYSA-N -1 3 311.740 4.219 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)Cc2ccccc21 ZINC001177104990 1048831182 /nfs/dbraw/zinc/83/11/82/1048831182.db2.gz GKOVNZJMLRDNQW-GFCCVEGCSA-N -1 3 323.417 4.366 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001191153436 1048865734 /nfs/dbraw/zinc/86/57/34/1048865734.db2.gz ZSJBTJNFVYQMRE-UHFFFAOYSA-N -1 3 302.349 4.473 20 0 DIADHM CC[C@H](C)[C@H](C)N(C(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000668314313 1048901549 /nfs/dbraw/zinc/90/15/49/1048901549.db2.gz MIECKLUKPPBGFU-RYUDHWBXSA-N -1 3 307.459 4.153 20 0 DIADHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000668314314 1048902097 /nfs/dbraw/zinc/90/20/97/1048902097.db2.gz MIECKLUKPPBGFU-VXGBXAGGSA-N -1 3 307.459 4.153 20 0 DIADHM COc1ccc2c(c1)nccc2Nc1cc([O-])c(Cl)cc1F ZINC001203526344 1048922466 /nfs/dbraw/zinc/92/24/66/1048922466.db2.gz UBRKZHAQBNNONF-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2N(C)C2CCCC2)c1 ZINC001150734570 1048940821 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CCC1(CC)CN(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc21 ZINC001192411856 1049100966 /nfs/dbraw/zinc/10/09/66/1049100966.db2.gz CYEKSYCMAMRPLV-UHFFFAOYSA-N -1 3 323.440 4.138 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c([O-])c1 ZINC000904685967 1049127163 /nfs/dbraw/zinc/12/71/63/1049127163.db2.gz LBCZORASXDQOFU-UHFFFAOYSA-N -1 3 322.364 4.168 20 0 DIADHM O=C(NC1CCCCCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857430706 1049145313 /nfs/dbraw/zinc/14/53/13/1049145313.db2.gz VAQWRFDTOADUQD-UHFFFAOYSA-N -1 3 315.335 4.254 20 0 DIADHM CCCC[C@H](C)NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001193061381 1049177267 /nfs/dbraw/zinc/17/72/67/1049177267.db2.gz UZWGFSXBGWYDNK-VIFPVBQESA-N -1 3 304.312 4.111 20 0 DIADHM C[C@@H](NC(=O)Nc1cc([O-])cc(Cl)c1)c1ccc(F)cc1 ZINC001193143636 1049184907 /nfs/dbraw/zinc/18/49/07/1049184907.db2.gz QUCAXSJUIFGQLV-SECBINFHSA-N -1 3 308.740 4.067 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc(OC2CCC2)c1 ZINC001193187407 1049190091 /nfs/dbraw/zinc/19/00/91/1049190091.db2.gz ZGXMISQJVSOGQK-UHFFFAOYSA-N -1 3 317.772 4.229 20 0 DIADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000505703709 1049198540 /nfs/dbraw/zinc/19/85/40/1049198540.db2.gz UUHCJDMWBLLMLJ-GFCCVEGCSA-N -1 3 319.351 4.101 20 0 DIADHM CCCc1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000339007538 1049199203 /nfs/dbraw/zinc/19/92/03/1049199203.db2.gz VAORWDDYQMWUCL-UHFFFAOYSA-N -1 3 310.806 4.015 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCc3ccc(Cl)cc32)c1Cl ZINC000858320752 1049241394 /nfs/dbraw/zinc/24/13/94/1049241394.db2.gz HRTPUTPETCPDJV-CQSZACIVSA-N -1 3 308.208 4.476 20 0 DIADHM Cc1oc(C(=O)[O-])cc1CN1CCC(CC2CCCCC2)CC1 ZINC000905777732 1049246437 /nfs/dbraw/zinc/24/64/37/1049246437.db2.gz URLYXGUOBHRLTB-UHFFFAOYSA-N -1 3 319.445 4.469 20 0 DIADHM Cc1cccnc1[C@H](NCc1cc(C(=O)[O-])cs1)C(C)(C)C ZINC000905798060 1049254450 /nfs/dbraw/zinc/25/44/50/1049254450.db2.gz LYERZEUGNNFEHH-HNNXBMFYSA-N -1 3 318.442 4.027 20 0 DIADHM [O-]c1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)c(F)c1F ZINC001179966570 1049254462 /nfs/dbraw/zinc/25/44/62/1049254462.db2.gz OTUOYEIUDWTBJN-MRXNPFEDSA-N -1 3 315.363 4.322 20 0 DIADHM CC(C)CCC[C@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193757909 1049259134 /nfs/dbraw/zinc/25/91/34/1049259134.db2.gz HSGFFCKUUKMBHZ-NSHDSACASA-N -1 3 317.351 4.356 20 0 DIADHM CN(CC1CCCCC1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193746093 1049259208 /nfs/dbraw/zinc/25/92/08/1049259208.db2.gz PHFFJOQYXXKROS-UHFFFAOYSA-N -1 3 315.335 4.063 20 0 DIADHM O=C(Nc1cccc2cc[nH]c21)c1ccc([O-])cc1C(F)(F)F ZINC001193747892 1049259363 /nfs/dbraw/zinc/25/93/63/1049259363.db2.gz NNZTXPKKJZTHLY-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM CC(C)c1ccc(C(=O)NC2(C3CCCCC3)CC2)c([O-])c1 ZINC001180271497 1049323588 /nfs/dbraw/zinc/32/35/88/1049323588.db2.gz RUAVFBAAQIHGFF-UHFFFAOYSA-N -1 3 301.430 4.358 20 0 DIADHM CCCCCCOC(=O)Nc1cc(Br)ccc1[O-] ZINC001194181799 1049335412 /nfs/dbraw/zinc/33/54/12/1049335412.db2.gz UYAYCCXXOQGNBO-UHFFFAOYSA-N -1 3 316.195 4.284 20 0 DIADHM COc1nc(-c2ccc([O-])cc2C(F)(F)F)nc2ccccc21 ZINC001205073366 1049361961 /nfs/dbraw/zinc/36/19/61/1049361961.db2.gz KOMLDZBTCLSCQM-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM CN(Cc1ccc([O-])c(F)c1F)[C@@H]1CCCc2ccccc21 ZINC001205093415 1049374920 /nfs/dbraw/zinc/37/49/20/1049374920.db2.gz DQWRISSUYZGZSA-OAHLLOKOSA-N -1 3 303.352 4.180 20 0 DIADHM CC(C)c1ccc(OCC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001180544348 1049381346 /nfs/dbraw/zinc/38/13/46/1049381346.db2.gz BDWOFSXHWHTLKS-UHFFFAOYSA-N -1 3 319.788 4.187 20 0 DIADHM Cc1ccc(-c2nc(C=Cc3nc(C)cc(=O)[n-]3)cs2)cc1 ZINC000486175025 1049395671 /nfs/dbraw/zinc/39/56/71/1049395671.db2.gz RFOKFZDFNPIOBV-FPLPWBNLSA-N -1 3 309.394 4.093 20 0 DIADHM C[C@]1(NCc2ccc([O-])c(F)c2F)CCCc2ccccc21 ZINC001180778046 1049407020 /nfs/dbraw/zinc/40/70/20/1049407020.db2.gz BEZLZCUTEHMOAL-SFHVURJKSA-N -1 3 303.352 4.012 20 0 DIADHM [O-]c1ccc(CNc2ccc(Cl)cc2OC(F)F)cc1F ZINC001205232127 1049414464 /nfs/dbraw/zinc/41/44/64/1049414464.db2.gz ZOGPWVIGKBYZSG-UHFFFAOYSA-N -1 3 317.694 4.398 20 0 DIADHM CCC(CC)COC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001194708589 1049419247 /nfs/dbraw/zinc/41/92/47/1049419247.db2.gz DSPWBRURCXPYIF-UHFFFAOYSA-N -1 3 305.296 4.396 20 0 DIADHM CSCCCCCCC(=O)Nc1c([O-])cccc1Cl ZINC000861830115 1049463705 /nfs/dbraw/zinc/46/37/05/1049463705.db2.gz NMXUGLMXJZMGPI-UHFFFAOYSA-N -1 3 301.839 4.298 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)Oc1ccccc1C(F)(F)F ZINC001195197235 1049494512 /nfs/dbraw/zinc/49/45/12/1049494512.db2.gz UBTNFYMQUIRQQN-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM COc1ccccc1OC(=O)Nc1cc2ccccc2cc1[O-] ZINC001195264719 1049503648 /nfs/dbraw/zinc/50/36/48/1049503648.db2.gz IRQPKDWFXYLCOM-UHFFFAOYSA-N -1 3 309.321 4.165 20 0 DIADHM O=C([N-]c1cnoc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001195405418 1049522473 /nfs/dbraw/zinc/52/24/73/1049522473.db2.gz QBAKWUKJJDSXRT-UHFFFAOYSA-N -1 3 323.135 4.494 20 0 DIADHM CCC(F)(F)C(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000862944580 1049524545 /nfs/dbraw/zinc/52/45/45/1049524545.db2.gz SQNWUQAVMPGAJC-UHFFFAOYSA-N -1 3 321.367 4.347 20 0 DIADHM Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3[O-])c[nH]c2c1 ZINC000101949198 1049528447 /nfs/dbraw/zinc/52/84/47/1049528447.db2.gz QHTRWOHCKZPDQW-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccccc2F)c(Cl)c1[O-] ZINC001195776969 1049569001 /nfs/dbraw/zinc/56/90/01/1049569001.db2.gz RQRLMBNFUYIODJ-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CC(C)Cn1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001205870718 1049589014 /nfs/dbraw/zinc/58/90/14/1049589014.db2.gz YGYMEPXPWDUYDK-UHFFFAOYSA-N -1 3 300.189 4.295 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)C1(c2cccc(Cl)c2)CCC1 ZINC001182248807 1049593244 /nfs/dbraw/zinc/59/32/44/1049593244.db2.gz JCBSEXXEYAHAJR-UHFFFAOYSA-N -1 3 319.763 4.245 20 0 DIADHM C[C@@H]1CCc2c(sc3ncnc(-c4ccc([O-])cc4F)c23)C1 ZINC001206029729 1049634051 /nfs/dbraw/zinc/63/40/51/1049634051.db2.gz HGHTWQZOYAXFMB-SECBINFHSA-N -1 3 314.385 4.328 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccncc3)nc3ccccc32)c(F)c1 ZINC001206037162 1049636215 /nfs/dbraw/zinc/63/62/15/1049636215.db2.gz 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CC(C)C[C@@H](C)CC(=O)Nc1ccc(Br)cc1[O-] ZINC000589876676 1050061998 /nfs/dbraw/zinc/06/19/98/1050061998.db2.gz GGJXAFKWYZXVDL-SNVBAGLBSA-N -1 3 314.223 4.166 20 0 DIADHM CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)cc1 ZINC000057547084 1050097727 /nfs/dbraw/zinc/09/77/27/1050097727.db2.gz FKUYYXIZOFLNJK-VMOJBDSFSA-N -1 3 320.392 4.451 20 0 DIADHM CO[C@H](C)c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001209948841 1050110239 /nfs/dbraw/zinc/11/02/39/1050110239.db2.gz ASXIUPFQGIFIGY-CYBMUJFWSA-N -1 3 309.369 4.029 20 0 DIADHM CC(C)(C)CCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000590905823 1050113359 /nfs/dbraw/zinc/11/33/59/1050113359.db2.gz MKYCUQNYSGFGHF-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM O=C1c2ccccc2-c2ccc(Nc3cccc(F)c3[O-])cc21 ZINC001210199729 1050155380 /nfs/dbraw/zinc/15/53/80/1050155380.db2.gz NIFGRMZFSLODLI-UHFFFAOYSA-N -1 3 305.308 4.486 20 0 DIADHM CC(=O)c1cc(Nc2cccc(F)c2[O-])ccc1Br ZINC001210202941 1050156803 /nfs/dbraw/zinc/15/68/03/1050156803.db2.gz VJCZGSIRCWBOPN-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM COC(=O)c1ccc(Cl)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210220422 1050162921 /nfs/dbraw/zinc/16/29/21/1050162921.db2.gz VTLKZTWDUGKDCZ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccnn1-c1ccc(F)cc1 ZINC001210218889 1050163317 /nfs/dbraw/zinc/16/33/17/1050163317.db2.gz MZXVRZWPEMZDDX-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM COc1cnc2c(cccc2Nc2cccc(Cl)c2[O-])c1 ZINC001210223805 1050165211 /nfs/dbraw/zinc/16/52/11/1050165211.db2.gz WELNMADERCDUEI-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(O)cc1Br ZINC001210223178 1050166111 /nfs/dbraw/zinc/16/61/11/1050166111.db2.gz MXUDUFKWHLEPBZ-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Cc1cc(Nc2cc(Br)cc(F)c2[O-])c(C)o1 ZINC001210284993 1050189615 /nfs/dbraw/zinc/18/96/15/1050189615.db2.gz KJFWCGHJKLHUFB-UHFFFAOYSA-N -1 3 300.127 4.247 20 0 DIADHM Cc1ocnc1C(=O)[N-]c1cccc(Cl)c1SC(F)F ZINC000157440482 1050206089 /nfs/dbraw/zinc/20/60/89/1050206089.db2.gz UIZCFCJISZNZAU-UHFFFAOYSA-N -1 3 318.732 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DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC001148104927 1050916485 /nfs/dbraw/zinc/91/64/85/1050916485.db2.gz GDIDBWKCUPVSOO-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Nc1cc(Cl)cc2ccn(-c3cc(F)c([O-])c(Cl)c3)c21 ZINC001214493968 1050924641 /nfs/dbraw/zinc/92/46/41/1050924641.db2.gz FWNAXZDKZAIACO-UHFFFAOYSA-N -1 3 311.143 4.364 20 0 DIADHM Cc1cc2c(ncnc2Nc2c(Cl)ccc([O-])c2F)s1 ZINC001214554040 1050940453 /nfs/dbraw/zinc/94/04/53/1050940453.db2.gz HVYCOZYKWMDPIT-UHFFFAOYSA-N -1 3 309.753 4.241 20 0 DIADHM Cc1cc(Nc2c(Cl)ccc([O-])c2F)n(-c2ccccc2)n1 ZINC001214553871 1050940765 /nfs/dbraw/zinc/94/07/65/1050940765.db2.gz DOPFJIJQMVVMFE-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM Cc1cn(-c2ccc(Nc3c(Cl)ccc([O-])c3F)cc2)cn1 ZINC001214559422 1050941257 /nfs/dbraw/zinc/94/12/57/1050941257.db2.gz OZJRSGAIYLYIDD-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(-c3ccccc3O)no2)c1F ZINC001214557723 1050941913 /nfs/dbraw/zinc/94/19/13/1050941913.db2.gz HVARXRMXDKXABM-UHFFFAOYSA-N 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1051292674 /nfs/dbraw/zinc/29/26/74/1051292674.db2.gz OHPSCILFBOCGOK-UHFFFAOYSA-N -1 3 307.777 4.123 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000793441769 1051300004 /nfs/dbraw/zinc/30/00/04/1051300004.db2.gz AJZSNQNIYFOWDA-MRXNPFEDSA-N -1 3 313.422 4.012 20 0 DIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(Cl)cc1F ZINC000746013644 1051305893 /nfs/dbraw/zinc/30/58/93/1051305893.db2.gz HOOHVIVMYZLLIT-UHFFFAOYSA-N -1 3 322.645 4.047 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccnn2-c2cccc(F)c2)c1F ZINC001214558022 1051307116 /nfs/dbraw/zinc/30/71/16/1051307116.db2.gz OPBOJPNMCMDQJD-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Cc1ccccc1-n1nccc1Nc1c(Cl)ccc([O-])c1F ZINC001214558201 1051308853 /nfs/dbraw/zinc/30/88/53/1051308853.db2.gz SAELAZJNVLSQCT-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc(-c3ccccn3)nc2)c1F ZINC001214559127 1051336899 /nfs/dbraw/zinc/33/68/99/1051336899.db2.gz HPIZMZFTUFZKFK-UHFFFAOYSA-N -1 3 315.735 4.385 20 0 DIADHM CC(C)(C)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747163506 1051348820 /nfs/dbraw/zinc/34/88/20/1051348820.db2.gz YFWWBLUPXQDSAC-UHFFFAOYSA-N -1 3 303.324 4.080 20 0 DIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(Cl)ccc1F ZINC000746441248 1051417068 /nfs/dbraw/zinc/41/70/68/1051417068.db2.gz WCIHTGKGQQOQNV-UHFFFAOYSA-N -1 3 322.645 4.047 20 0 DIADHM O=c1ccnc(C=Cc2ccc(Oc3cccc(F)c3)cc2)[n-]1 ZINC000766492612 1051432035 /nfs/dbraw/zinc/43/20/35/1051432035.db2.gz ZXQMKVXHPQPSAI-RMKNXTFCSA-N -1 3 308.312 4.284 20 0 DIADHM CSc1cc(F)c(Nc2ccc([O-])c(F)c2F)cc1F ZINC001215968214 1051491650 /nfs/dbraw/zinc/49/16/50/1051491650.db2.gz NBMBYUNCOSTALP-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cc(-c2ccccc2)cnc1F ZINC001216070524 1051559486 /nfs/dbraw/zinc/55/94/86/1051559486.db2.gz QRXGGYWWDBDCKM-UHFFFAOYSA-N -1 3 315.735 4.385 20 0 DIADHM Cc1cc(Br)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212587355 1051576146 /nfs/dbraw/zinc/57/61/46/1051576146.db2.gz RFGYWBAMUKQPIY-UHFFFAOYSA-N -1 3 313.582 4.255 20 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310.319 4.399 20 0 DIADHM CSc1ncc(C)cc1Nc1nc2c(cccc2[O-])s1 ZINC001216239199 1051645532 /nfs/dbraw/zinc/64/55/32/1051645532.db2.gz HZCLVXOYZFTHAD-UHFFFAOYSA-N -1 3 303.412 4.171 20 0 DIADHM O=C(c1ccc(Nc2ccc(Cl)c([O-])c2)cc1)N1CCCC1 ZINC001212591564 1051645900 /nfs/dbraw/zinc/64/59/00/1051645900.db2.gz SGNJFANTACJAFQ-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM O=C1CCCc2ccc(Nc3ccc(Cl)c([O-])c3)cc2N1 ZINC001212593270 1051664990 /nfs/dbraw/zinc/66/49/90/1051664990.db2.gz ISFUJEZLCMMCSI-UHFFFAOYSA-N -1 3 302.761 4.064 20 0 DIADHM COC(=O)CCCc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593736 1051679289 /nfs/dbraw/zinc/67/92/89/1051679289.db2.gz HVSWRXVTTAREDE-UHFFFAOYSA-N -1 3 319.788 4.285 20 0 DIADHM COC(=O)c1c(Cl)cccc1Nc1ccc(Cl)c([O-])c1 ZINC001212593737 1051679701 /nfs/dbraw/zinc/67/97/01/1051679701.db2.gz HXDHNEQZTXHDID-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM COc1cc(Nc2ccc(Cl)c([O-])c2)cc2cccnc21 ZINC001212593937 1051681889 /nfs/dbraw/zinc/68/18/89/1051681889.db2.gz MGKUKTQSXZSQOS-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cc(Nc2ccc3ncnc(Cl)c3c2)ccc1Cl ZINC001212595455 1051702843 /nfs/dbraw/zinc/70/28/43/1051702843.db2.gz VDZFOQGONDLINM-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM CCOC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1F ZINC001212595295 1051708910 /nfs/dbraw/zinc/70/89/10/1051708910.db2.gz MLPHKIJCXKFWER-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)ccc(F)c1C ZINC001216341749 1051709334 /nfs/dbraw/zinc/70/93/34/1051709334.db2.gz OAEXCUWBYJLJMZ-UHFFFAOYSA-N -1 3 322.311 4.059 20 0 DIADHM CCOC(=O)CCc1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595298 1051710028 /nfs/dbraw/zinc/71/00/28/1051710028.db2.gz MPALYVGXOFYCSB-UHFFFAOYSA-N -1 3 319.788 4.285 20 0 DIADHM [O-]c1cc(F)c(Nc2c(Cl)cc(CO)cc2Cl)c(F)c1 ZINC001216364424 1051721583 /nfs/dbraw/zinc/72/15/83/1051721583.db2.gz KTAIWVDDWBNBML-UHFFFAOYSA-N -1 3 320.122 4.213 20 0 DIADHM Cc1cc(F)cc(Cl)c1[N-]c1nnc(Br)s1 ZINC001216401903 1051746552 /nfs/dbraw/zinc/74/65/52/1051746552.db2.gz RVDQUXAJOIOIKH-UHFFFAOYSA-N -1 3 322.590 4.145 20 0 DIADHM CC(=O)c1cc(Nc2cc(Cl)ccc2[O-])cc(C(C)=O)c1 ZINC001216402750 1051749483 /nfs/dbraw/zinc/74/94/83/1051749483.db2.gz GEVDGCMFCIZRQU-UHFFFAOYSA-N -1 3 303.745 4.194 20 0 DIADHM NC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1[O-] ZINC001173811529 1051789294 /nfs/dbraw/zinc/78/92/94/1051789294.db2.gz MRRUADCXGVESLR-UHFFFAOYSA-N -1 3 320.348 4.027 20 0 DIADHM CSc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001173811682 1051790491 /nfs/dbraw/zinc/79/04/91/1051790491.db2.gz KWDVVMRUKBXYJY-UHFFFAOYSA-N -1 3 311.204 4.015 20 0 DIADHM O=c1cc(Nc2cccc3ccccc32)[n-]n1-c1ccccc1 ZINC001173797125 1051804246 /nfs/dbraw/zinc/80/42/46/1051804246.db2.gz SXNYFTYHNJRAMC-UHFFFAOYSA-N -1 3 301.349 4.475 20 0 DIADHM CCN(CC)c1ccc(-c2noc(-c3c(C)cccc3[O-])n2)cc1 ZINC001216536295 1051809735 /nfs/dbraw/zinc/80/97/35/1051809735.db2.gz HHRBWXBQZHNJKO-UHFFFAOYSA-N -1 3 323.396 4.264 20 0 DIADHM Cc1cccc(-c2noc(-c3c(C)cccc3[O-])n2)c1Cl ZINC001216536296 1051810330 /nfs/dbraw/zinc/81/03/30/1051810330.db2.gz HIKXDIKTWFHDLH-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1ccc(-c2noc(-c3c(C)cccc3[O-])n2)c(F)c1F ZINC001216536541 1051810452 /nfs/dbraw/zinc/81/04/52/1051810452.db2.gz LXAXLPGOKFDOHL-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM O=c1cc(Nc2ccccc2C(F)(F)F)[n-]n1-c1ccccc1 ZINC001173842883 1051817663 /nfs/dbraw/zinc/81/76/63/1051817663.db2.gz ZEPQUSLDCIOTJK-UHFFFAOYSA-N -1 3 319.286 4.340 20 0 DIADHM COc1ccc(-c2nnsc2[N-]c2c(F)cccc2F)cc1 ZINC001173859429 1051832303 /nfs/dbraw/zinc/83/23/03/1051832303.db2.gz PTBSWESURBUYAI-UHFFFAOYSA-N -1 3 319.336 4.236 20 0 DIADHM [O-]c1cccc(Nc2ccc(F)c(F)c2)c1Br ZINC001173869830 1051840236 /nfs/dbraw/zinc/84/02/36/1051840236.db2.gz ZNDHFMLNSYJTDE-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM Cc1noc2ccc(Nc3cccc([O-])c3Br)cc12 ZINC001216643499 1051850696 /nfs/dbraw/zinc/85/06/96/1051850696.db2.gz ZPQUYRSLOCCCGT-UHFFFAOYSA-N -1 3 319.158 4.348 20 0 DIADHM COc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c(C)c1 ZINC001216701863 1051865664 /nfs/dbraw/zinc/86/56/64/1051865664.db2.gz FFYWPYKZKOGKJW-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COc1cc(C)ccc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702195 1051866233 /nfs/dbraw/zinc/86/62/33/1051866233.db2.gz LXIOZLPIXYYECP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCOc1cccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1 ZINC001216702316 1051866385 /nfs/dbraw/zinc/86/63/85/1051866385.db2.gz OXHYPPGFHGCXFL-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccnc4ccccc43)no2)c1 ZINC001216702271 1051866495 /nfs/dbraw/zinc/86/64/95/1051866495.db2.gz OADRHTHUIDRBRP-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM COc1cc(OC)c(Nc2ccc(C)c([O-])c2Cl)c(OC)c1 ZINC001173910261 1051870603 /nfs/dbraw/zinc/87/06/03/1051870603.db2.gz MPLBWXVTGAFMCS-UHFFFAOYSA-N -1 3 323.776 4.123 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccnc4ccccc43)no2)cc1F ZINC001216895402 1051903525 /nfs/dbraw/zinc/90/35/25/1051903525.db2.gz QBQBOKUHKHCIEX-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccccc3Cl)no2)cc1F ZINC001216895533 1051903629 /nfs/dbraw/zinc/90/36/29/1051903629.db2.gz CFXZQIIIUKOUTI-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc(Cl)c3)no2)cc1F ZINC001216895364 1051904510 /nfs/dbraw/zinc/90/45/10/1051904510.db2.gz OPBGGZFSXVBOCW-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM COc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)cc1 ZINC001216907070 1051905144 /nfs/dbraw/zinc/90/51/44/1051905144.db2.gz BIKNMTAQZYDAJQ-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM COc1cccc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)c1 ZINC001216907057 1051905971 /nfs/dbraw/zinc/90/59/71/1051905971.db2.gz AOVGXIQVCAKFEK-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM [O-]c1cccc(Nc2cccc(F)c2F)c1Br ZINC001173948414 1051913848 /nfs/dbraw/zinc/91/38/48/1051913848.db2.gz VGZPSIJJBHADMI-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccc(C)c(C)c3)no2)c1[O-] ZINC001216957516 1051917429 /nfs/dbraw/zinc/91/74/29/1051917429.db2.gz WEMDJNPENXMOLY-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM [O-]c1cccc(Nc2cnc3ccccc3c2)c1Br ZINC001174003413 1051927423 /nfs/dbraw/zinc/92/74/23/1051927423.db2.gz OJKYUCDKEGXQIY-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1cnc(CC(C)C)s1 ZINC001131059415 1051931542 /nfs/dbraw/zinc/93/15/42/1051931542.db2.gz RNFOFSVRIHEGLD-UHFFFAOYSA-N -1 3 324.446 4.455 20 0 DIADHM Fc1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1Cl ZINC001217136469 1051972220 /nfs/dbraw/zinc/97/22/20/1051972220.db2.gz ABTJSKYENQNQSP-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM c1cc2cc(-c3noc(-c4nc5ccccc5[n-]4)n3)ccc2o1 ZINC001217136509 1051973484 /nfs/dbraw/zinc/97/34/84/1051973484.db2.gz CEUKAOOPDKTZRJ-UHFFFAOYSA-N -1 3 302.293 4.026 20 0 DIADHM COCc1ccccc1Nc1cccc([O-])c1Br ZINC001174106708 1051980158 /nfs/dbraw/zinc/98/01/58/1051980158.db2.gz PFQRRVYLEPIULN-UHFFFAOYSA-N -1 3 308.175 4.045 20 0 DIADHM O=C(c1cccc(Nc2ccc([O-])c(Cl)c2)c1)N1CCCC1 ZINC001174171353 1052032295 /nfs/dbraw/zinc/03/22/95/1052032295.db2.gz QCMVVZBZNSYZTK-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM CC(C)CNC(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174194898 1052043868 /nfs/dbraw/zinc/04/38/68/1052043868.db2.gz OKPJTGKJSICJMU-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM Cc1cc(C)c(-c2noc(-c3c([O-])ccc4ccccc43)n2)cn1 ZINC001217412278 1052047768 /nfs/dbraw/zinc/04/77/68/1052047768.db2.gz TUDFNBCAJFTLSU-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)cc1F ZINC001217441891 1052057262 /nfs/dbraw/zinc/05/72/62/1052057262.db2.gz QIRPVJNLFHEDLB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cccc(-c2noc(-c3c([O-])cc4ccccc4c3O)n2)c1 ZINC001217452067 1052059834 /nfs/dbraw/zinc/05/98/34/1052059834.db2.gz BERZEMLQASUQJC-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM Nc1cc(F)cc(Nc2c(Cl)ccc([O-])c2F)c1Cl ZINC001214565109 1052067676 /nfs/dbraw/zinc/06/76/76/1052067676.db2.gz YHNRSXBKJNNFHL-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3)no2)c2cccnc12 ZINC001217491330 1052073833 /nfs/dbraw/zinc/07/38/33/1052073833.db2.gz ABJNWEHJKZTMQI-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1ccc(-c2noc(-c3c([O-])cnc4ccc(C)cc43)n2)cc1 ZINC001217501093 1052074056 /nfs/dbraw/zinc/07/40/56/1052074056.db2.gz RJJGJVDGTCRSJK-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(C(=O)N(C)c2ccc(C)c(Cl)c2)c([O-])c1C ZINC000769856432 1052112135 /nfs/dbraw/zinc/11/21/35/1052112135.db2.gz YZMZNJVXEPSHRH-UHFFFAOYSA-N -1 3 303.789 4.247 20 0 DIADHM [O-]c1cccc2sc(Nc3ccnc(C(F)(F)F)c3)nc21 ZINC001174360009 1052126611 /nfs/dbraw/zinc/12/66/11/1052126611.db2.gz PSTRYELVNQSMNG-UHFFFAOYSA-N -1 3 311.288 4.159 20 0 DIADHM CC(C)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194842811 1052131828 /nfs/dbraw/zinc/13/18/28/1052131828.db2.gz GYIWQZFYHWFLPS-UHFFFAOYSA-N -1 3 320.439 4.134 20 0 DIADHM Cn1cc(-c2ccc(Nc3nc4c(cccc4[O-])s3)cc2)cn1 ZINC001174376292 1052135607 /nfs/dbraw/zinc/13/56/07/1052135607.db2.gz QBERTXARSCZVOS-UHFFFAOYSA-N -1 3 322.393 4.146 20 0 DIADHM Cc1csc2nc([N-][C@H](c3ccccn3)C(F)(F)F)ncc12 ZINC001168477115 1052212218 /nfs/dbraw/zinc/21/22/18/1052212218.db2.gz IGZLDYFFUPYXIS-LLVKDONJSA-N -1 3 324.331 4.110 20 0 DIADHM Cc1cc(=O)[n-]c(CSc2ccc(Cl)c(Cl)c2)n1 ZINC000761866072 1052264542 /nfs/dbraw/zinc/26/45/42/1052264542.db2.gz QHLFMIVOMABXII-UHFFFAOYSA-N -1 3 301.198 4.090 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c([O-])c1 ZINC001219436024 1052287028 /nfs/dbraw/zinc/28/70/28/1052287028.db2.gz FVIGEHGSCFSKDI-UHFFFAOYSA-N -1 3 324.405 4.264 20 0 DIADHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C2CCCCC2)c1 ZINC001219598936 1052296068 /nfs/dbraw/zinc/29/60/68/1052296068.db2.gz MRTIZPIBRNELDP-QGZVFWFLSA-N -1 3 318.417 4.314 20 0 DIADHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C2CCCCC2)c1 ZINC001219598936 1052296072 /nfs/dbraw/zinc/29/60/72/1052296072.db2.gz MRTIZPIBRNELDP-QGZVFWFLSA-N -1 3 318.417 4.314 20 0 DIADHM CC(C)N(Cc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000232655574 1052321259 /nfs/dbraw/zinc/32/12/59/1052321259.db2.gz IBSPELNLLQLICG-UHFFFAOYSA-N -1 3 309.818 4.158 20 0 DIADHM C[C@@H](NCc1cccc([O-])c1Br)c1ccsc1 ZINC000315905897 1052357006 /nfs/dbraw/zinc/35/70/06/1052357006.db2.gz OEPQOHYSZGWBSV-SECBINFHSA-N -1 3 312.232 4.067 20 0 DIADHM Cc1cccc(N(C)Cc2cccc([O-])c2Br)c1 ZINC000316073129 1052361646 /nfs/dbraw/zinc/36/16/46/1052361646.db2.gz KVBVOKWQVFSCIF-UHFFFAOYSA-N -1 3 306.203 4.100 20 0 DIADHM Cc1cc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c(C)s1 ZINC000235206773 1052410238 /nfs/dbraw/zinc/41/02/38/1052410238.db2.gz IBLXBMINJFLAAB-SECBINFHSA-N -1 3 309.818 4.215 20 0 DIADHM O=C(Oc1ccc(Br)cc1)c1cc2ccsc2[n-]1 ZINC000916851165 1052657449 /nfs/dbraw/zinc/65/74/49/1052657449.db2.gz WJBIRWKBBGYGKP-UHFFFAOYSA-N -1 3 322.183 4.211 20 0 DIADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1cccc([O-])c1F ZINC000128586906 1052736749 /nfs/dbraw/zinc/73/67/49/1052736749.db2.gz HULZQRWKUQCCGV-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000128646057 1052739474 /nfs/dbraw/zinc/73/94/74/1052739474.db2.gz WIALVPBDZWRVFM-HZPDHXFCSA-N -1 3 321.351 4.427 20 0 DIADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cc(-c2ccccc2)no1 ZINC001225340441 1052776641 /nfs/dbraw/zinc/77/66/41/1052776641.db2.gz MZIWOXDWXVHLNO-LBPRGKRZSA-N -1 3 321.332 4.057 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(C2CC2)nc2ccccc21 ZINC000129242420 1052780986 /nfs/dbraw/zinc/78/09/86/1052780986.db2.gz UYYVONSBHPOPSD-UHFFFAOYSA-N -1 3 322.339 4.209 20 0 DIADHM CC(C)c1cc(C(=O)Nc2cccc([O-])c2F)c2ccccc2n1 ZINC000129461948 1052790608 /nfs/dbraw/zinc/79/06/08/1052790608.db2.gz HCICRGVQEDRUNR-UHFFFAOYSA-N -1 3 324.355 4.455 20 0 DIADHM CC(C)Sc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129519091 1052793527 /nfs/dbraw/zinc/79/35/27/1052793527.db2.gz YGSWINIXCWUDMN-UHFFFAOYSA-N -1 3 305.374 4.284 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)c(Cl)c1 ZINC000129634395 1052799725 /nfs/dbraw/zinc/79/97/25/1052799725.db2.gz XVWIZQZAZJGWDJ-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cc2ccccc2s1 ZINC001225743455 1052824269 /nfs/dbraw/zinc/82/42/69/1052824269.db2.gz XPPKUXIHLXJJGP-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM Cc1ccc([C@H](Oc2[n-]c(=S)ncc2C)C(F)(F)F)cc1 ZINC001225742607 1052824460 /nfs/dbraw/zinc/82/44/60/1052824460.db2.gz NPTHCUKLXNDYPF-NSHDSACASA-N -1 3 314.332 4.065 20 0 DIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(F)c1 ZINC000919047625 1052849290 /nfs/dbraw/zinc/84/92/90/1052849290.db2.gz YPPZDJUFEIZRNO-ZETCQYMHSA-N -1 3 302.132 4.379 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001226118058 1052870056 /nfs/dbraw/zinc/87/00/56/1052870056.db2.gz ZYQBIGSISDUOSA-MRXNPFEDSA-N -1 3 320.417 4.472 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1csc(Cl)c1 ZINC001226119947 1052870747 /nfs/dbraw/zinc/87/07/47/1052870747.db2.gz PYJDTYJFDCNBSV-ZETCQYMHSA-N -1 3 312.847 4.498 20 0 DIADHM CC(C)=CCC[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531329 1052907628 /nfs/dbraw/zinc/90/76/28/1052907628.db2.gz ACQSNFVVDBYTAH-ZDUSSCGKSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3cccc(F)c3)cc12 ZINC001226533870 1052908357 /nfs/dbraw/zinc/90/83/57/1052908357.db2.gz JNNGNOQPFLDRQE-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM Cc1ccc2c(c1)[C@@H](Oc1cc3c(C)cc(=O)oc3cc1[O-])CC2 ZINC001226536374 1052908966 /nfs/dbraw/zinc/90/89/66/1052908966.db2.gz WSOHCRIBKJHHOE-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCc4ccccc43)cc12 ZINC001226536385 1052909158 /nfs/dbraw/zinc/90/91/58/1052909158.db2.gz WWKFIYINWQFBCB-KRWDZBQOSA-N -1 3 322.360 4.263 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@@H]3CC[C@H]4CCCC[C@H]4C3)c2o1 ZINC001226594802 1052914006 /nfs/dbraw/zinc/91/40/06/1052914006.db2.gz BTFCRVWCGBDRHL-VHDGCEQUSA-N -1 3 314.381 4.236 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2o1 ZINC001226594801 1052914312 /nfs/dbraw/zinc/91/43/12/1052914312.db2.gz BTFCRVWCGBDRHL-NWANDNLSSA-N -1 3 314.381 4.236 20 0 DIADHM CC(C)[C@H]1CC[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226598614 1052914326 /nfs/dbraw/zinc/91/43/26/1052914326.db2.gz FOHUPLZWGLCOEZ-MQMHXKEQSA-N -1 3 302.370 4.092 20 0 DIADHM CCOC(=O)C[C@@H](Oc1cccc([O-])c1Cl)c1ccccc1 ZINC001226713058 1052924412 /nfs/dbraw/zinc/92/44/12/1052924412.db2.gz YCKDSRHKSHCEDQ-OAHLLOKOSA-N -1 3 320.772 4.119 20 0 DIADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccccc1Br ZINC000920497008 1052942465 /nfs/dbraw/zinc/94/24/65/1052942465.db2.gz IDCOELPYCJLOAH-SNVBAGLBSA-N -1 3 321.170 4.073 20 0 DIADHM O=c1cc(O[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc[n-]1 ZINC001226947372 1052946684 /nfs/dbraw/zinc/94/66/84/1052946684.db2.gz QFUIAMJIJHIBKU-KRWDZBQOSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccc(Cl)cc1Cl ZINC001226940371 1052946971 /nfs/dbraw/zinc/94/69/71/1052946971.db2.gz PWSMCMUKSCVYMV-ZETCQYMHSA-N -1 3 301.198 4.212 20 0 DIADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000921076350 1052961561 /nfs/dbraw/zinc/96/15/61/1052961561.db2.gz RSSMEGQBADJIQK-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM COCOc1cccc(Cl)c1Nc1cc([O-])c(F)cc1F ZINC001214311370 1052981432 /nfs/dbraw/zinc/98/14/32/1052981432.db2.gz GVGROGCXEJZHTJ-UHFFFAOYSA-N -1 3 315.703 4.050 20 0 DIADHM C[C@@H]1CCCC[C@H]1Oc1c([O-])cc(Br)cc1F ZINC001227588710 1053003012 /nfs/dbraw/zinc/00/30/12/1053003012.db2.gz URKJKBXGILRFRW-PRHODGIISA-N -1 3 303.171 4.251 20 0 DIADHM C[C@H](Oc1c([O-])cc(Br)cc1F)c1ccccc1 ZINC001227584416 1053002577 /nfs/dbraw/zinc/00/25/77/1053002577.db2.gz RIRBYWDLGRSBRH-VIFPVBQESA-N -1 3 311.150 4.434 20 0 DIADHM C[C@@H](Oc1c([O-])cc(Br)cc1F)C1CCCC1 ZINC001227586648 1053002588 /nfs/dbraw/zinc/00/25/88/1053002588.db2.gz CGQAJBCUVSHMQO-MRVPVSSYSA-N -1 3 303.171 4.251 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1c(F)cccc1F ZINC001227587604 1053003184 /nfs/dbraw/zinc/00/31/84/1053003184.db2.gz VONUPKPHDUSIKF-ZETCQYMHSA-N -1 3 319.229 4.224 20 0 DIADHM [O-]c1cc(Cl)cnc1O[C@@H](c1ccccc1)c1ccccn1 ZINC001227979596 1053033418 /nfs/dbraw/zinc/03/34/18/1053033418.db2.gz DWSVSVMEABOHOV-INIZCTEOSA-N -1 3 312.756 4.004 20 0 DIADHM COC(=O)c1c(C)cc(Nc2cccc([O-])c2Cl)cc1C ZINC001213123742 1053036840 /nfs/dbraw/zinc/03/68/40/1053036840.db2.gz GCKXROVXUKMAMJ-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])c1ccccn1 ZINC001228153072 1053047788 /nfs/dbraw/zinc/04/77/88/1053047788.db2.gz AGJXZBYGZRGCNP-CQSZACIVSA-N -1 3 319.360 4.158 20 0 DIADHM C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])c1ccncc1 ZINC001228152665 1053048074 /nfs/dbraw/zinc/04/80/74/1053048074.db2.gz RHEWMFQGCRKJEZ-CQSZACIVSA-N -1 3 319.360 4.158 20 0 DIADHM Cn1cccc1[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000180638491 1053076282 /nfs/dbraw/zinc/07/62/82/1053076282.db2.gz PAPRGCUTUUHXEP-MRXNPFEDSA-N -1 3 304.821 4.111 20 0 DIADHM CCCc1cc(C(=O)[N-]c2ccc(Cl)cc2SC)no1 ZINC000617253367 1053114634 /nfs/dbraw/zinc/11/46/34/1053114634.db2.gz OGTUMPDDTDYDFI-UHFFFAOYSA-N -1 3 310.806 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001228622035 1053147985 /nfs/dbraw/zinc/14/79/85/1053147985.db2.gz GUTBXYCWEDSHQQ-ZIBATOQPSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCCCCCC1 ZINC001228621928 1053148321 /nfs/dbraw/zinc/14/83/21/1053148321.db2.gz FKHDMTFUFZMKAP-UHFFFAOYSA-N -1 3 302.370 4.299 20 0 DIADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1cc2ccccc2s1 ZINC001228694968 1053161168 /nfs/dbraw/zinc/16/11/68/1053161168.db2.gz HPVNFPBVZIBNPB-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1cc2ccccc2s1 ZINC001228694968 1053161173 /nfs/dbraw/zinc/16/11/73/1053161173.db2.gz HPVNFPBVZIBNPB-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1cc2ccccc2s1 ZINC001228694968 1053161178 /nfs/dbraw/zinc/16/11/78/1053161178.db2.gz HPVNFPBVZIBNPB-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccc2ccccc2c1 ZINC001228697741 1053161406 /nfs/dbraw/zinc/16/14/06/1053161406.db2.gz OSWXNSZHNHPUCI-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc21 ZINC001228854267 1053194272 /nfs/dbraw/zinc/19/42/72/1053194272.db2.gz PXVLFJMXFVJXCG-KCQAQPDRSA-N -1 3 300.398 4.259 20 0 DIADHM COC(C)(C)C[C@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959528 1053213255 /nfs/dbraw/zinc/21/32/55/1053213255.db2.gz CQRVMCAWSFYEKP-LBPRGKRZSA-N -1 3 308.418 4.301 20 0 DIADHM CC(C)CC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229100698 1053245588 /nfs/dbraw/zinc/24/55/88/1053245588.db2.gz VFHAANZDLVTLJR-VIFPVBQESA-N -1 3 303.196 4.064 20 0 DIADHM CCC(CC)[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229100084 1053245713 /nfs/dbraw/zinc/24/57/13/1053245713.db2.gz OXKBEJFERHYPOK-GFCCVEGCSA-N -1 3 317.223 4.454 20 0 DIADHM CC1(C)CCC[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096311 1053246751 /nfs/dbraw/zinc/24/67/51/1053246751.db2.gz AXZRVBRQDWNLTK-SNVBAGLBSA-N -1 3 315.207 4.208 20 0 DIADHM CCCC/C=C/[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097556 1053246892 /nfs/dbraw/zinc/24/68/92/1053246892.db2.gz UCFWWGUDKYGWLN-VQCYPWCPSA-N -1 3 315.207 4.374 20 0 DIADHM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C2 ZINC001319571743 1053253420 /nfs/dbraw/zinc/25/34/20/1053253420.db2.gz KNWUAPPSASOSFI-OAHLLOKOSA-N -1 3 319.813 4.010 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H]3C[C@H]4C[C@H]4C3)c2)cc1 ZINC001229537565 1053348778 /nfs/dbraw/zinc/34/87/78/1053348778.db2.gz MMUWSDGCMGZFBF-BJWYYQGGSA-N -1 3 308.377 4.109 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(OC3CC(F)(F)C3)c2)cc1 ZINC001229541701 1053349571 /nfs/dbraw/zinc/34/95/71/1053349571.db2.gz HUXOUXYOPHDMKX-UHFFFAOYSA-N -1 3 318.319 4.108 20 0 DIADHM Cc1cccc([C@H](C)Oc2nc(=S)[n-]c3sccc32)c1 ZINC001229568913 1053355069 /nfs/dbraw/zinc/35/50/69/1053355069.db2.gz HHAOMDNANGNKPL-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)c1ccc(F)c(F)c1 ZINC001229571046 1053355578 /nfs/dbraw/zinc/35/55/78/1053355578.db2.gz ZFQIBDLDYBFOKQ-SSDOTTSWSA-N -1 3 324.377 4.398 20 0 DIADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)c1cccc(F)c1 ZINC001229570053 1053355966 /nfs/dbraw/zinc/35/59/66/1053355966.db2.gz NJGGDKZLAULQRC-MRVPVSSYSA-N -1 3 306.387 4.259 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC001545742366 1053362899 /nfs/dbraw/zinc/36/28/99/1053362899.db2.gz MCTAFNFAWXFDDH-UHFFFAOYSA-N -1 3 318.442 4.170 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC2CCCC2)c1 ZINC001229810054 1053408593 /nfs/dbraw/zinc/40/85/93/1053408593.db2.gz HNZRZECDBHTAOR-UHFFFAOYSA-N -1 3 314.381 4.386 20 0 DIADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(O[C@@H]2C=CCC2)c1 ZINC001230454109 1053541660 /nfs/dbraw/zinc/54/16/60/1053541660.db2.gz RANIKUYFNSADCY-OAHLLOKOSA-N -1 3 314.768 4.374 20 0 DIADHM Cc1ccc(CNC(=S)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001200317728 1053549773 /nfs/dbraw/zinc/54/97/73/1053549773.db2.gz JQZDUPNYQWOTNE-UHFFFAOYSA-N -1 3 320.845 4.149 20 0 DIADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC001231116883 1053676883 /nfs/dbraw/zinc/67/68/83/1053676883.db2.gz SNZGBJAYPICJAK-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC001231116883 1053676898 /nfs/dbraw/zinc/67/68/98/1053676898.db2.gz SNZGBJAYPICJAK-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM Cc1nn(C)cc1[C@@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231218427 1053703429 /nfs/dbraw/zinc/70/34/29/1053703429.db2.gz JTKLPVARLBVCKE-CQSZACIVSA-N -1 3 324.380 4.366 20 0 DIADHM CN(Cc1cc(C(F)(F)F)ccc1Cl)C(C)(C)CC(=O)[O-] ZINC001353915599 1053704727 /nfs/dbraw/zinc/70/47/27/1053704727.db2.gz LDHWYJVWCKZGRM-UHFFFAOYSA-N -1 3 323.742 4.044 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2c2ccccn2)cc1C(F)(F)F ZINC001231523939 1053779558 /nfs/dbraw/zinc/77/95/58/1053779558.db2.gz BUPYGPJSEWTYMV-HNNXBMFYSA-N -1 3 322.330 4.143 20 0 DIADHM Cc1cccc2c1CN(Cc1ccc([O-])c(C(F)(F)F)c1)C2 ZINC001231524564 1053780438 /nfs/dbraw/zinc/78/04/38/1053780438.db2.gz RIVGOHNWWBUICK-UHFFFAOYSA-N -1 3 307.315 4.235 20 0 DIADHM CCc1cccc(C(=O)N2CCC(C)(C)CC(C)(C)C2)c1[O-] ZINC001300580275 1053828506 /nfs/dbraw/zinc/82/85/06/1053828506.db2.gz FZQAMFVRZILKLO-UHFFFAOYSA-N -1 3 303.446 4.243 20 0 DIADHM COc1ccc2c(c1)CN(Cc1ccc(Cl)c([O-])c1)CCC2 ZINC001231735640 1053843501 /nfs/dbraw/zinc/84/35/01/1053843501.db2.gz RQSHDAUAQBYIJC-UHFFFAOYSA-N -1 3 317.816 4.003 20 0 DIADHM COc1ccccc1[C@@H]1CCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231734442 1053845405 /nfs/dbraw/zinc/84/54/05/1053845405.db2.gz ZHLKEZMXSFWPEQ-INIZCTEOSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1ccccc1O[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231738175 1053846987 /nfs/dbraw/zinc/84/69/87/1053846987.db2.gz NDOHJWLMWCYXME-OAHLLOKOSA-N -1 3 317.816 4.007 20 0 DIADHM [O-]c1cc(Cl)ccc1NC(=S)Nc1ccc(F)c(F)c1 ZINC001200699512 1053902796 /nfs/dbraw/zinc/90/27/96/1053902796.db2.gz PYGHAHJHKKJDQA-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)ccc1Cl ZINC000671162551 1054081363 /nfs/dbraw/zinc/08/13/63/1054081363.db2.gz KNPBVUWMPJAXJV-ZDUSSCGKSA-N -1 3 309.818 4.016 20 0 DIADHM [O-]c1c(Cl)ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC001232626417 1054089387 /nfs/dbraw/zinc/08/93/87/1054089387.db2.gz YEOPMTWLQWQWPW-PHIMTYICSA-N -1 3 300.229 4.321 20 0 DIADHM [O-]c1c(F)cc(CN2CCCCCCC2)cc1Br ZINC001232633285 1054092276 /nfs/dbraw/zinc/09/22/76/1054092276.db2.gz IZVWAHQLMQPKRN-UHFFFAOYSA-N -1 3 316.214 4.060 20 0 DIADHM C[C@H](NC1CC(CC(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ZINC001331943155 1054101341 /nfs/dbraw/zinc/10/13/41/1054101341.db2.gz HXINTDSZRRTHLM-UEJVZZJDSA-N -1 3 320.191 4.036 20 0 DIADHM [O-]c1c(F)ccc(CN(Cc2ccccc2)C2CCC2)c1F ZINC001232941078 1054152356 /nfs/dbraw/zinc/15/23/56/1054152356.db2.gz URBWQMJKCBNMIT-UHFFFAOYSA-N -1 3 303.352 4.225 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1 ZINC000622298709 1054157822 /nfs/dbraw/zinc/15/78/22/1054157822.db2.gz SPIXKPXBISTYAD-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000622298515 1054157975 /nfs/dbraw/zinc/15/79/75/1054157975.db2.gz LTUBYGGIINWDQH-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM CN(Cc1cc([O-])c(F)c(F)c1)Cc1cccc2ccccc21 ZINC001232971847 1054163670 /nfs/dbraw/zinc/16/36/70/1054163670.db2.gz QIRCDKXQYQTCDG-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM Cc1ccc([C@@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232970524 1054163932 /nfs/dbraw/zinc/16/39/32/1054163932.db2.gz FSBJXIBICROZBI-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM CCc1cccc(C)c1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000622322030 1054172464 /nfs/dbraw/zinc/17/24/64/1054172464.db2.gz YBOCCCKPEXFBGL-UHFFFAOYSA-N -1 3 309.409 4.394 20 0 DIADHM CCC1CCC(N(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)CC1 ZINC000622328224 1054174996 /nfs/dbraw/zinc/17/49/96/1054174996.db2.gz NHQWFYCAUJXHRE-UHFFFAOYSA-N -1 3 319.420 4.034 20 0 DIADHM [O-]c1cccc(CN2CCCC[C@@H]2c2ccccc2F)c1F ZINC001233052086 1054177762 /nfs/dbraw/zinc/17/77/62/1054177762.db2.gz FVRXVVHGFIOETG-MRXNPFEDSA-N -1 3 303.352 4.398 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1F ZINC001233054050 1054178354 /nfs/dbraw/zinc/17/83/54/1054178354.db2.gz YPFWVGZWQSIBNJ-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM CCc1ccc(C(=O)N(CC2CC2)C2CCCCC2)c([O-])c1 ZINC000622350630 1054185535 /nfs/dbraw/zinc/18/55/35/1054185535.db2.gz NGRBDOKIOUBBMV-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000622368155 1054191962 /nfs/dbraw/zinc/19/19/62/1054191962.db2.gz KRWJUKZDOARUDK-LJQANCHMSA-N -1 3 311.425 4.424 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1 ZINC000622368323 1054192942 /nfs/dbraw/zinc/19/29/42/1054192942.db2.gz ROYZYMVQKIBWRD-LJQANCHMSA-N -1 3 311.425 4.424 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)c([O-])c1 ZINC000622406514 1054205092 /nfs/dbraw/zinc/20/50/92/1054205092.db2.gz XXZKNOTUNBVNJI-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM C[C@@H](NCc1ccc([O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC001334952897 1054206875 /nfs/dbraw/zinc/20/68/75/1054206875.db2.gz QGEQMIBEXBALLN-SNVBAGLBSA-N -1 3 308.422 4.136 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2C)c1[O-] ZINC000622436526 1054227329 /nfs/dbraw/zinc/22/73/29/1054227329.db2.gz YCPAGLJWXSKFNU-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000622460147 1054234947 /nfs/dbraw/zinc/23/49/47/1054234947.db2.gz GDJDXJBVGZCOHK-UHFFFAOYSA-N -1 3 319.351 4.194 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c([O-])c1 ZINC000622447448 1054240566 /nfs/dbraw/zinc/24/05/66/1054240566.db2.gz ILUBSNHGDXNIPG-MRXNPFEDSA-N -1 3 301.430 4.276 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCCC23CCCCC3)c([O-])c1 ZINC000622468549 1054249384 /nfs/dbraw/zinc/24/93/84/1054249384.db2.gz IRLCYRHVOOZSCE-UHFFFAOYSA-N -1 3 301.430 4.455 20 0 DIADHM CCc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1C ZINC000622492903 1054257837 /nfs/dbraw/zinc/25/78/37/1054257837.db2.gz HYXHTQTWROEZRG-UHFFFAOYSA-N -1 3 315.388 4.364 20 0 DIADHM [O-]c1ccc(F)c(CN(Cc2ccccc2)C2CCC2)c1F ZINC001233397290 1054260544 /nfs/dbraw/zinc/26/05/44/1054260544.db2.gz SEIRSMGHZMTJGI-UHFFFAOYSA-N -1 3 303.352 4.225 20 0 DIADHM Cc1cccc(C(=O)N2CC(C)(C)c3c2cccc3Cl)c1[O-] ZINC001337188388 1054260736 /nfs/dbraw/zinc/26/07/36/1054260736.db2.gz CJJMTYPPJXICBX-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM CC1(c2ccccc2)CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001233397169 1054261036 /nfs/dbraw/zinc/26/10/36/1054261036.db2.gz NUHPYEDEJXTTJD-UHFFFAOYSA-N -1 3 317.379 4.224 20 0 DIADHM CC(C)(C)N(Cc1ccccc1)Cc1c(F)ccc([O-])c1F ZINC001233393107 1054261299 /nfs/dbraw/zinc/26/12/99/1054261299.db2.gz BKLGCVMLCALYCQ-UHFFFAOYSA-N -1 3 305.368 4.471 20 0 DIADHM C[C@@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622521042 1054272426 /nfs/dbraw/zinc/27/24/26/1054272426.db2.gz JIQBKYZSMNNJIK-MRXNPFEDSA-N -1 3 323.436 4.245 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c([O-])c1C ZINC000622563168 1054282208 /nfs/dbraw/zinc/28/22/08/1054282208.db2.gz ZEZMXONRTQVSQU-KRWDZBQOSA-N -1 3 309.409 4.409 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H](C(=O)OC(C)(C)C)C(C)C ZINC001233592324 1054306447 /nfs/dbraw/zinc/30/64/47/1054306447.db2.gz LJDYDINNCJBGGD-AWEZNQCLSA-N -1 3 314.809 4.099 20 0 DIADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1c(Cl)cncc1Cl ZINC001233680379 1054328825 /nfs/dbraw/zinc/32/88/25/1054328825.db2.gz IWIBNOWNUCMYEA-QMMMGPOBSA-N -1 3 324.163 4.104 20 0 DIADHM CC[C@@H](Oc1ccc2occ([O-])c2c1)c1cccc(F)c1C ZINC001233681033 1054332047 /nfs/dbraw/zinc/33/20/47/1054332047.db2.gz QAENOBUEGNSIJT-QGZVFWFLSA-N -1 3 300.329 4.239 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3c2cccc3Br)c1F ZINC001233871197 1054378290 /nfs/dbraw/zinc/37/82/90/1054378290.db2.gz MEBCAPZIFXDRFH-CYBMUJFWSA-N -1 3 323.161 4.360 20 0 DIADHM C[C@H](Oc1cccc([O-])c1F)c1ncc(C(F)(F)F)cc1F ZINC001233870698 1054379187 /nfs/dbraw/zinc/37/91/87/1054379187.db2.gz HNARRXGDQWBSHT-ZETCQYMHSA-N -1 3 319.229 4.224 20 0 DIADHM [O-]c1cccc(O[C@@H](c2ccccc2)C2CCOCC2)c1F ZINC001233873422 1054379541 /nfs/dbraw/zinc/37/95/41/1054379541.db2.gz YEKKSKDHWPUDEP-SFHVURJKSA-N -1 3 302.345 4.078 20 0 DIADHM CCCCC1(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC001441344374 1054388685 /nfs/dbraw/zinc/38/86/85/1054388685.db2.gz SEIKUGVREVMCET-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC001441822102 1054401354 /nfs/dbraw/zinc/40/13/54/1054401354.db2.gz URHHTYXPZMKAKM-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC001442331367 1054416163 /nfs/dbraw/zinc/41/61/63/1054416163.db2.gz RHAWFXDQLLHOIU-ZDUSSCGKSA-N -1 3 313.397 4.439 20 0 DIADHM CCCN(C(=O)c1ccc(CC)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001442387453 1054419721 /nfs/dbraw/zinc/41/97/21/1054419721.db2.gz AQVHHJDSRITPPQ-LJQANCHMSA-N -1 3 323.436 4.494 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c([O-])c1 ZINC001442551344 1054425130 /nfs/dbraw/zinc/42/51/30/1054425130.db2.gz WUEKNOVHQZJXCH-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM C[C@H](CNC(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC001442796312 1054433357 /nfs/dbraw/zinc/43/33/57/1054433357.db2.gz HBMHHMYVOQZBLY-SNVBAGLBSA-N -1 3 324.207 4.233 20 0 DIADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1cccc(N(C)C)c1 ZINC001234263017 1054477683 /nfs/dbraw/zinc/47/76/83/1054477683.db2.gz OIADWROPJPFKHC-SNVBAGLBSA-N -1 3 309.768 4.391 20 0 DIADHM C[C@@H](COCc1ccccc1)Oc1c(Cl)ccc([O-])c1F ZINC001234264691 1054479457 /nfs/dbraw/zinc/47/94/57/1054479457.db2.gz QZECGXSWZUHRAN-NSHDSACASA-N -1 3 310.752 4.169 20 0 DIADHM COC(=O)c1ccc([C@H](C)Oc2c(Cl)ccc([O-])c2F)cc1 ZINC001234263870 1054480075 /nfs/dbraw/zinc/48/00/75/1054480075.db2.gz JVWVVQAULXQZRQ-VIFPVBQESA-N -1 3 324.735 4.111 20 0 DIADHM CC(C)[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444715390 1054484832 /nfs/dbraw/zinc/48/48/32/1054484832.db2.gz BJVQTWCHJNCHKI-LJQANCHMSA-N -1 3 323.436 4.244 20 0 DIADHM CC(C)CC(C)(C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001445344909 1054505859 /nfs/dbraw/zinc/50/58/59/1054505859.db2.gz QNJRFQBPBMYCSX-UHFFFAOYSA-N -1 3 305.443 4.409 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC001445430411 1054507351 /nfs/dbraw/zinc/50/73/51/1054507351.db2.gz NBYHHVGKNMXTDW-HOTGVXAUSA-N -1 3 323.436 4.048 20 0 DIADHM CCCCCC(C)(C)CNC(=O)c1cc(SC)ccc1[O-] ZINC001445527195 1054509433 /nfs/dbraw/zinc/50/94/33/1054509433.db2.gz IFBKLBMQLAWMBF-UHFFFAOYSA-N -1 3 309.475 4.450 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)c(Cl)c1Cl ZINC001446243397 1054532157 /nfs/dbraw/zinc/53/21/57/1054532157.db2.gz YMFVQCGULGWAKV-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Cc2ccccc2)CCC1 ZINC001446527164 1054538006 /nfs/dbraw/zinc/53/80/06/1054538006.db2.gz PFDXFBOMXRVBDX-UHFFFAOYSA-N -1 3 315.800 4.397 20 0 DIADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446527706 1054538393 /nfs/dbraw/zinc/53/83/93/1054538393.db2.gz RMMXRDJJWQYNJE-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM Cc1cccc2c1[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)CC2 ZINC001234689394 1054577062 /nfs/dbraw/zinc/57/70/62/1054577062.db2.gz RFUOBXYUWBOKBD-INIZCTEOSA-N -1 3 318.376 4.224 20 0 DIADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448080403 1054588754 /nfs/dbraw/zinc/58/87/54/1054588754.db2.gz DGIMUSUBQLJLNX-KXBFYZLASA-N -1 3 323.436 4.244 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H]2CCC=CCCC2)c1C(C)=O ZINC001234792137 1054591341 /nfs/dbraw/zinc/59/13/41/1054591341.db2.gz WYSZPYJTVBOHPH-CQSZACIVSA-N -1 3 304.386 4.180 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2ccc(C)cc2)c1C(C)=O ZINC001234794073 1054593528 /nfs/dbraw/zinc/59/35/28/1054593528.db2.gz XZRVIDWYRFXQSO-AWEZNQCLSA-N -1 3 314.381 4.360 20 0 DIADHM O=C(Nc1ccc2cc[nH]c2c1)c1cc2c(cc1[O-])CCCC2 ZINC001448537476 1054599247 /nfs/dbraw/zinc/59/92/47/1054599247.db2.gz ICRATSPZVCJZGA-UHFFFAOYSA-N -1 3 306.365 4.005 20 0 DIADHM O=C(CCc1cc(Cl)cs1)Nc1c([O-])cccc1Cl ZINC001450262926 1054643158 /nfs/dbraw/zinc/64/31/58/1054643158.db2.gz QWWRTTFBTCVPJI-UHFFFAOYSA-N -1 3 316.209 4.332 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1csc(C(F)(F)F)c1 ZINC001450260118 1054644387 /nfs/dbraw/zinc/64/43/87/1054644387.db2.gz GTNIAGVCMDETHX-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM CCc1ccc([C@@H]2CCN(C(=O)c3cccc(CC)c3[O-])C2)cc1 ZINC001450401671 1054647590 /nfs/dbraw/zinc/64/75/90/1054647590.db2.gz TURRCGCVVJOZDB-GOSISDBHSA-N -1 3 323.436 4.147 20 0 DIADHM CC(C)(C)c1ccc(CCCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC001450772807 1054661438 /nfs/dbraw/zinc/66/14/38/1054661438.db2.gz HTJLOSUDWFLOPO-AWNIVKPZSA-N -1 3 323.864 4.497 20 0 DIADHM CC(C)(C)c1ccc(CCCCC(=O)[N-]OC/C=C\Cl)cc1 ZINC001450772809 1054662220 /nfs/dbraw/zinc/66/22/20/1054662220.db2.gz HTJLOSUDWFLOPO-MLPAPPSSSA-N -1 3 323.864 4.497 20 0 DIADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001450915075 1054663453 /nfs/dbraw/zinc/66/34/53/1054663453.db2.gz VZUPYQWQDMMDIP-DIFFPNOSSA-N -1 3 303.427 4.306 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c1 ZINC001451115145 1054667230 /nfs/dbraw/zinc/66/72/30/1054667230.db2.gz GKTKYMVJWQDYTP-SFHVURJKSA-N -1 3 315.457 4.386 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1c(Cl)cccc1Cl ZINC000179650569 1054692362 /nfs/dbraw/zinc/69/23/62/1054692362.db2.gz PUYXCEJAVZMKQQ-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001299248372 1054706057 /nfs/dbraw/zinc/70/60/57/1054706057.db2.gz JTBYHMSRJFVDCL-UONOGXRCSA-N -1 3 307.459 4.059 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3ccn(C(F)F)c3c2)c1[O-] ZINC001452987238 1054722560 /nfs/dbraw/zinc/72/25/60/1054722560.db2.gz PNRUHKTVOAQPSP-UHFFFAOYSA-N -1 3 316.307 4.303 20 0 DIADHM CCCC[C@H](CC)CCCN(C)C(=O)c1c([O-])cccc1OC ZINC001453703462 1054746256 /nfs/dbraw/zinc/74/62/56/1054746256.db2.gz VASFDZDEPLVWCN-HNNXBMFYSA-N -1 3 321.461 4.469 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc(F)ccc1F ZINC000180331810 1054747806 /nfs/dbraw/zinc/74/78/06/1054747806.db2.gz CNSUSAYITYUPAL-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM CC1(C)C[C@]1(C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001453888115 1054751069 /nfs/dbraw/zinc/75/10/69/1054751069.db2.gz IXBCEYBAFLKNKL-NRFANRHFSA-N -1 3 323.436 4.096 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)c([O-])c1 ZINC001454298240 1054761221 /nfs/dbraw/zinc/76/12/21/1054761221.db2.gz TXAYYHKXMAUMJJ-GOSISDBHSA-N -1 3 312.413 4.038 20 0 DIADHM CC1(c2cc(NC(=O)c3cc([O-])ccc3Cl)no2)CCCC1 ZINC000518848684 1054765646 /nfs/dbraw/zinc/76/56/46/1054765646.db2.gz UGGUCJYUOYEXSZ-UHFFFAOYSA-N -1 3 320.776 4.118 20 0 DIADHM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]c1cnoc1 ZINC000623939774 1054827006 /nfs/dbraw/zinc/82/70/06/1054827006.db2.gz DFGBNOVOOBOGKC-UHFFFAOYSA-N -1 3 314.366 4.054 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nccc(-c3ccc(F)cc3)n2)c1 ZINC001235899504 1054836777 /nfs/dbraw/zinc/83/67/77/1054836777.db2.gz GJEJIBUSDBAWES-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM COc1cc2ccc(-c3cc([O-])cc(Cl)c3)nc2cc1OC ZINC001235898488 1054836969 /nfs/dbraw/zinc/83/69/69/1054836969.db2.gz JFIRQNLKJDESJE-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM Cc1nc(-c2ccncc2)nc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235898794 1054836998 /nfs/dbraw/zinc/83/69/98/1054836998.db2.gz DDAFQZUGJBBISN-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM COC(=O)c1cccc2cnc(-c3cc([O-])cc(Cl)c3)cc21 ZINC001235898995 1054837497 /nfs/dbraw/zinc/83/74/97/1054837497.db2.gz PDOMFBIYQWYVCY-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM COC(=O)c1cc(-c2cc([O-])cc(Cl)c2)nc2ccccc21 ZINC001235898133 1054837510 /nfs/dbraw/zinc/83/75/10/1054837510.db2.gz AWESDLZEMVUNTG-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccc(-c3ccc(F)cc3)nn2)c1 ZINC001235898748 1054837675 /nfs/dbraw/zinc/83/76/75/1054837675.db2.gz CIIKRARRBAJAPQ-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nccc(Oc3cccc(F)c3)n2)c1 ZINC001235899790 1054839874 /nfs/dbraw/zinc/83/98/74/1054839874.db2.gz UFGOPVJDLBYIHD-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncncc2OCc2ccccc2)c1 ZINC001235900362 1054840484 /nfs/dbraw/zinc/84/04/84/1054840484.db2.gz MUFHMCDWUOAUMA-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM CC(C)(C)c1nc2[nH]ccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900619 1054840745 /nfs/dbraw/zinc/84/07/45/1054840745.db2.gz ZDUFIABHNKNWSD-UHFFFAOYSA-N -1 3 301.777 4.233 20 0 DIADHM O=C(Nc1ccccc1)c1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235900521 1054840973 /nfs/dbraw/zinc/84/09/73/1054840973.db2.gz OLBXECCKXAGVCV-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(Cl)cc1Cl ZINC001235968113 1054876334 /nfs/dbraw/zinc/87/63/34/1054876334.db2.gz LUPXANGIGJBBPQ-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(Cl)cc1Cl ZINC001235968113 1054876345 /nfs/dbraw/zinc/87/63/45/1054876345.db2.gz LUPXANGIGJBBPQ-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM CC(C)(/C=C/Cl)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001535353745 1054907636 /nfs/dbraw/zinc/90/76/36/1054907636.db2.gz XTUWERQJZIZZNJ-BQYQJAHWSA-N -1 3 308.155 4.079 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c(C)o1 ZINC000182766254 1055007840 /nfs/dbraw/zinc/00/78/40/1055007840.db2.gz ALMUFOYDMULEHN-UHFFFAOYSA-N -1 3 320.197 4.004 20 0 DIADHM O=c1ccnc(C=Cc2ccc(OCc3cccc(F)c3)cc2)[n-]1 ZINC000764434363 1055185547 /nfs/dbraw/zinc/18/55/47/1055185547.db2.gz JNGIBEAUHPAFLQ-RMKNXTFCSA-N -1 3 322.339 4.071 20 0 DIADHM [O-]c1cc(CN2CCC3(CCCC3)CC2)ccc1Br ZINC001236684091 1055230179 /nfs/dbraw/zinc/23/01/79/1055230179.db2.gz NLFKEBAKICFDND-UHFFFAOYSA-N -1 3 324.262 4.311 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001587477805 1055308885 /nfs/dbraw/zinc/30/88/85/1055308885.db2.gz HMVVNKAXDLICNO-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC001587618911 1055337460 /nfs/dbraw/zinc/33/74/60/1055337460.db2.gz JRWWPDRDDLEATP-NSHDSACASA-N -1 3 319.351 4.285 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]1Cc1ccccc1 ZINC001587727259 1055351680 /nfs/dbraw/zinc/35/16/80/1055351680.db2.gz PFKARISAVGIFLX-OAHLLOKOSA-N -1 3 323.417 4.064 20 0 DIADHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001587739211 1055354841 /nfs/dbraw/zinc/35/48/41/1055354841.db2.gz CFRUVSLVPBXQPB-DOTOQJQBSA-N -1 3 321.486 4.310 20 0 DIADHM FC(F)(F)c1cccc2c1CCN(Cc1occc1[S-])C2 ZINC001237183923 1055395084 /nfs/dbraw/zinc/39/50/84/1055395084.db2.gz MULMFLCYPHDSCC-UHFFFAOYSA-N -1 3 313.344 4.145 20 0 DIADHM [O-]c1cc(F)cc(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)c1 ZINC001237287593 1055418024 /nfs/dbraw/zinc/41/80/24/1055418024.db2.gz SBSNUNUZQMNBCC-KRWDZBQOSA-N -1 3 321.342 4.156 20 0 DIADHM CC(C)C1CCC(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001588130730 1055433928 /nfs/dbraw/zinc/43/39/28/1055433928.db2.gz XMCLKXGTFAUBDF-UHFFFAOYSA-N -1 3 311.425 4.490 20 0 DIADHM O=C(N[C@H](c1cccs1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000471620450 1055451824 /nfs/dbraw/zinc/45/18/24/1055451824.db2.gz JMKZOJOPXLNWAT-SFHVURJKSA-N -1 3 323.417 4.488 20 0 DIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)s1 ZINC000018702571 1055472127 /nfs/dbraw/zinc/47/21/27/1055472127.db2.gz SSAAJYMMFUEDMV-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM CCC1(CC)CCCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001564135554 1055473658 /nfs/dbraw/zinc/47/36/58/1055473658.db2.gz DSXBDBZMPLUIQV-UHFFFAOYSA-N -1 3 322.424 4.033 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000023537228 1055502585 /nfs/dbraw/zinc/50/25/85/1055502585.db2.gz HPGPBXWGMBXSHT-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM Cc1ccc(CCC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000029422961 1055617805 /nfs/dbraw/zinc/61/78/05/1055617805.db2.gz ZDIAJUPGVBGULZ-UHFFFAOYSA-N -1 3 323.436 4.186 20 0 DIADHM CCc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC001595768128 1055629758 /nfs/dbraw/zinc/62/97/58/1055629758.db2.gz PKDFJAOKWAWAMK-UHFFFAOYSA-N -1 3 303.427 4.070 20 0 DIADHM C[C@H]1CCCCCN1Cc1c(Br)ccc([O-])c1F ZINC001238305101 1055636269 /nfs/dbraw/zinc/63/62/69/1055636269.db2.gz FNVUDOGWAFXOCO-JTQLQIEISA-N -1 3 316.214 4.058 20 0 DIADHM CC(C)(C)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC001596123435 1055672047 /nfs/dbraw/zinc/67/20/47/1055672047.db2.gz ITWGUJCCCVUIMJ-INIZCTEOSA-N -1 3 301.361 4.049 20 0 DIADHM O=C(Nc1cc(F)c(F)cc1F)c1cc([O-])c2ccccc2c1 ZINC000472024876 1055687305 /nfs/dbraw/zinc/68/73/05/1055687305.db2.gz KJMXULCGNVAUDE-UHFFFAOYSA-N -1 3 317.266 4.215 20 0 DIADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc([O-])c2ccccc2c1 ZINC000472206798 1055701435 /nfs/dbraw/zinc/70/14/35/1055701435.db2.gz OKBDUWBYWVXWTP-UHFFFAOYSA-N -1 3 317.266 4.215 20 0 DIADHM Cc1cccc2c1N(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000472268660 1055705797 /nfs/dbraw/zinc/70/57/97/1055705797.db2.gz IMDDMRNMPXDVHY-UHFFFAOYSA-N -1 3 303.361 4.057 20 0 DIADHM CCCC[C@H]1CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565558266 1055710332 /nfs/dbraw/zinc/71/03/32/1055710332.db2.gz VPESXKLFLBAHIO-RDJZCZTQSA-N -1 3 321.436 4.329 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC001565592570 1055713162 /nfs/dbraw/zinc/71/31/62/1055713162.db2.gz FQKUHCBRSLVECY-UHFFFAOYSA-N -1 3 316.407 4.138 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c1 ZINC001565659662 1055716219 /nfs/dbraw/zinc/71/62/19/1055716219.db2.gz AHMOJIKOVBTMTL-CHWSQXEVSA-N -1 3 307.459 4.059 20 0 DIADHM CCc1ccc(O)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000472433693 1055722607 /nfs/dbraw/zinc/72/26/07/1055722607.db2.gz UARQTESMVDTTRZ-UHFFFAOYSA-N -1 3 307.349 4.066 20 0 DIADHM C[C@@H]1CC[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H](C)C1 ZINC001565759353 1055727900 /nfs/dbraw/zinc/72/79/00/1055727900.db2.gz YJVJOOXEXZSLEI-SUNKGSAMSA-N -1 3 303.427 4.161 20 0 DIADHM CCSc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001565781251 1055728438 /nfs/dbraw/zinc/72/84/38/1055728438.db2.gz LLCQWRDBHAANAF-UHFFFAOYSA-N -1 3 301.411 4.373 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1[O-] ZINC001566017514 1055741193 /nfs/dbraw/zinc/74/11/93/1055741193.db2.gz FMVSBYKQVNOBHW-CJNGLKHVSA-N -1 3 313.397 4.161 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1[O-] ZINC001566017515 1055741626 /nfs/dbraw/zinc/74/16/26/1055741626.db2.gz FMVSBYKQVNOBHW-CZUORRHYSA-N -1 3 313.397 4.161 20 0 DIADHM O=C([N-]c1cscc1Cl)c1occc1Br ZINC001596887923 1055756062 /nfs/dbraw/zinc/75/60/62/1055756062.db2.gz FJPVLLKGSYIYOL-UHFFFAOYSA-N -1 3 306.568 4.009 20 0 DIADHM O=C(NCCCc1cccs1)c1cc2sccc2c([O-])c1 ZINC001566420083 1055771394 /nfs/dbraw/zinc/77/13/94/1055771394.db2.gz IWYBFZJXPCZCLW-UHFFFAOYSA-N -1 3 317.435 4.031 20 0 DIADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC001566743619 1055779267 /nfs/dbraw/zinc/77/92/67/1055779267.db2.gz HACFWZPYJQRPNM-OAHLLOKOSA-N -1 3 307.752 4.066 20 0 DIADHM CC(C)[C@@H]1CCCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001566936367 1055787233 /nfs/dbraw/zinc/78/72/33/1055787233.db2.gz UJERZZCXPXKXED-KRWDZBQOSA-N -1 3 321.436 4.281 20 0 DIADHM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001567234314 1055795945 /nfs/dbraw/zinc/79/59/45/1055795945.db2.gz FTHLWPIMLVXWGF-UHFFFAOYSA-N -1 3 303.789 4.253 20 0 DIADHM CCC(CC)(CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC001567237549 1055796039 /nfs/dbraw/zinc/79/60/39/1055796039.db2.gz WLTVPDVWDBMGBH-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC001567231691 1055796129 /nfs/dbraw/zinc/79/61/29/1055796129.db2.gz FMOKUBTXWFQRQJ-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001567235215 1055796353 /nfs/dbraw/zinc/79/63/53/1055796353.db2.gz WDUOJVWFQSRKIC-KGLIPLIRSA-N -1 3 315.800 4.253 20 0 DIADHM Cc1ccc(NC2CC2)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001567234363 1055796469 /nfs/dbraw/zinc/79/64/69/1055796469.db2.gz IFAPHMBDLUODQE-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM CSc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1F ZINC001238953380 1055799788 /nfs/dbraw/zinc/79/97/88/1055799788.db2.gz HWNVGJXCSSKXCY-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)c([O-])c1 ZINC001567368757 1055802083 /nfs/dbraw/zinc/80/20/83/1055802083.db2.gz DJVUFNMDIYLUGF-OXQOHEQNSA-N -1 3 323.436 4.390 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC(C(C)(C)C)CC2)c1 ZINC001567635660 1055810687 /nfs/dbraw/zinc/81/06/87/1055810687.db2.gz VFWFQRNVJIMZMH-UHFFFAOYSA-N -1 3 307.459 4.012 20 0 DIADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001567648471 1055811651 /nfs/dbraw/zinc/81/16/51/1055811651.db2.gz VYULPVCOTGNQMM-UHFFFAOYSA-N -1 3 320.392 4.313 20 0 DIADHM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001567682520 1055811693 /nfs/dbraw/zinc/81/16/93/1055811693.db2.gz FKGDWUCAMITGIO-LSDHHAIUSA-N -1 3 321.436 4.185 20 0 DIADHM Cc1cccc(-c2cnc(NC(=O)c3ccc(C)cc3[O-])s2)c1 ZINC001568737561 1055843834 /nfs/dbraw/zinc/84/38/34/1055843834.db2.gz DCGPMXVTIYNSOZ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001569670722 1055867749 /nfs/dbraw/zinc/86/77/49/1055867749.db2.gz WRGQZHMWLVKIDP-IBGZPJMESA-N -1 3 323.436 4.439 20 0 DIADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(F)c2ccccc21 ZINC001569964143 1055879379 /nfs/dbraw/zinc/87/93/79/1055879379.db2.gz CURSADDZYUXYEL-GFCCVEGCSA-N -1 3 309.340 4.176 20 0 DIADHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc2sccc2c([O-])c1 ZINC001570329248 1055896910 /nfs/dbraw/zinc/89/69/10/1055896910.db2.gz QGWMHTCYHSHFOB-JSGCOSHPSA-N -1 3 315.438 4.163 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC001597966484 1055899220 /nfs/dbraw/zinc/89/92/20/1055899220.db2.gz RKFNMNTWGKVLPD-SFHVURJKSA-N -1 3 323.436 4.497 20 0 DIADHM Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CCC2)c([O-])c1 ZINC001570646085 1055910795 /nfs/dbraw/zinc/91/07/95/1055910795.db2.gz HRHQIOQQYVAETR-UHFFFAOYSA-N -1 3 315.800 4.163 20 0 DIADHM CCCN(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000064040011 1055911721 /nfs/dbraw/zinc/91/17/21/1055911721.db2.gz VVRVJHMDVICNGS-UHFFFAOYSA-N -1 3 318.804 4.144 20 0 DIADHM Fc1ccc(-c2ccccc2-c2ccccc2)cc1-c1nnn[n-]1 ZINC001239506566 1055918087 /nfs/dbraw/zinc/91/80/87/1055918087.db2.gz FWAWKKVRKSMMMM-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1ccc(-c2ccccc2-c2ccccc2)cc1-c1nn[n-]n1 ZINC001239506566 1055918095 /nfs/dbraw/zinc/91/80/95/1055918095.db2.gz FWAWKKVRKSMMMM-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM C/C(=C/c1ccccc1)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001621025862 1055990876 /nfs/dbraw/zinc/99/08/76/1055990876.db2.gz KIBJQSAXRZBPIU-SQFISAMPSA-N -1 3 305.381 4.093 20 0 DIADHM C[C@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540295616 1056011763 /nfs/dbraw/zinc/01/17/63/1056011763.db2.gz HIQQEOSXNXJNGI-HNAYVOBHSA-N -1 3 323.436 4.292 20 0 DIADHM CCCCOc1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC001583078802 1056018592 /nfs/dbraw/zinc/01/85/92/1056018592.db2.gz YASHXORMQMXSHY-UHFFFAOYSA-N -1 3 313.397 4.440 20 0 DIADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001603395909 1056024506 /nfs/dbraw/zinc/02/45/06/1056024506.db2.gz VEVUYNUNIZFPHE-SFHVURJKSA-N -1 3 309.409 4.458 20 0 DIADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001603395908 1056024900 /nfs/dbraw/zinc/02/49/00/1056024900.db2.gz VEVUYNUNIZFPHE-GOSISDBHSA-N -1 3 309.409 4.458 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c1C ZINC001540481799 1056035960 /nfs/dbraw/zinc/03/59/60/1056035960.db2.gz DAEHRNCNVHIWLZ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc(Oc2ccccc2)ccc1[O-] ZINC001606729955 1056038711 /nfs/dbraw/zinc/03/87/11/1056038711.db2.gz KICLDFHNMSMJQO-QANKJYHBSA-N -1 3 323.392 4.103 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1[O-] ZINC001540558799 1056042648 /nfs/dbraw/zinc/04/26/48/1056042648.db2.gz BKIGYEJMTIJUPC-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1[O-] ZINC001540601793 1056049162 /nfs/dbraw/zinc/04/91/62/1056049162.db2.gz OYFSAKVLDDCHSA-UHFFFAOYSA-N -1 3 324.163 4.154 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC001583298594 1056059585 /nfs/dbraw/zinc/05/95/85/1056059585.db2.gz NDCUDWUZSLIJBR-UHFFFAOYSA-N -1 3 316.426 4.068 20 0 DIADHM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000007057648 1056062970 /nfs/dbraw/zinc/06/29/70/1056062970.db2.gz MJUBEYCZEOELFY-CYBMUJFWSA-N -1 3 319.426 4.010 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c([O-])c1 ZINC001610892821 1056076513 /nfs/dbraw/zinc/07/65/13/1056076513.db2.gz XNCDQNMWULZDQX-UHFFFAOYSA-N -1 3 321.779 4.238 20 0 DIADHM C/C(=C\C(=O)Nc1ccc(Cl)cc1[O-])c1cccc(F)c1 ZINC001610900627 1056076582 /nfs/dbraw/zinc/07/65/82/1056076582.db2.gz UPNQGZFYVWZHHN-JXMROGBWSA-N -1 3 305.736 4.227 20 0 DIADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001583401956 1056076830 /nfs/dbraw/zinc/07/68/30/1056076830.db2.gz MWVOXMOZVAAAAY-NEPJUHHUSA-N -1 3 303.427 4.163 20 0 DIADHM CCCC[C@](C)(F)C(=O)Nc1cc(Br)ccc1[O-] ZINC001610906494 1056077749 /nfs/dbraw/zinc/07/77/49/1056077749.db2.gz XEQCJYBZFNHAPL-ZDUSSCGKSA-N -1 3 318.186 4.012 20 0 DIADHM CCc1cccc(C(=O)N[C@H](CC)c2cccc(Cl)c2)c1[O-] ZINC001540797416 1056079617 /nfs/dbraw/zinc/07/96/17/1056079617.db2.gz XUAVFQHZDDOPCY-MRXNPFEDSA-N -1 3 317.816 4.489 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)c3ccc(F)cc32)c1 ZINC001583450135 1056084774 /nfs/dbraw/zinc/08/47/74/1056084774.db2.gz LGBGGLXZXAAWSD-UHFFFAOYSA-N -1 3 313.372 4.032 20 0 DIADHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCC=CCCC1 ZINC001540971743 1056086950 /nfs/dbraw/zinc/08/69/50/1056086950.db2.gz PJXZDNCUFINHIE-NSHDSACASA-N -1 3 324.218 4.230 20 0 DIADHM CC[C@H](C)c1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC001611005527 1056093244 /nfs/dbraw/zinc/09/32/44/1056093244.db2.gz RAJZTNFEQPVBMF-NSHDSACASA-N -1 3 324.384 4.139 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC001583582320 1056108898 /nfs/dbraw/zinc/10/88/98/1056108898.db2.gz QCKXCQUSGFDVNY-UHFFFAOYSA-N -1 3 318.398 4.410 20 0 DIADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCc2ccccc21 ZINC001583619467 1056120244 /nfs/dbraw/zinc/12/02/44/1056120244.db2.gz ZVGJOXQCOHMFNO-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2c(Cl)oc3ccccc32)n1 ZINC001611212352 1056126930 /nfs/dbraw/zinc/12/69/30/1056126930.db2.gz FYNBTNOEMWQGAP-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM CC1(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCCC1 ZINC001611263766 1056132999 /nfs/dbraw/zinc/13/29/99/1056132999.db2.gz PLHSYBLVSBNATK-UHFFFAOYSA-N -1 3 324.384 4.127 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)CCc1cccc2ccccc21 ZINC001542570015 1056137389 /nfs/dbraw/zinc/13/73/89/1056137389.db2.gz GNSVPVOLNYELJF-UHFFFAOYSA-N -1 3 319.404 4.169 20 0 DIADHM Cc1ccccc1C1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC001611321205 1056141658 /nfs/dbraw/zinc/14/16/58/1056141658.db2.gz XEZGCZPLPPKQCB-UHFFFAOYSA-N -1 3 309.409 4.029 20 0 DIADHM O=C(Oc1cccc2sccc21)c1cccc(Cl)c1[O-] ZINC001611328328 1056143300 /nfs/dbraw/zinc/14/33/00/1056143300.db2.gz ASFAJPHTMRTPNU-UHFFFAOYSA-N -1 3 304.754 4.480 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1c[nH]c2cc(Cl)ccc12 ZINC001611380376 1056149700 /nfs/dbraw/zinc/14/97/00/1056149700.db2.gz SDTFNQHUTQYOFC-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM CCCC[C@@H](NC(=O)c1ccccc1[O-])c1ccc(OC)cc1 ZINC001542919248 1056162316 /nfs/dbraw/zinc/16/23/16/1056162316.db2.gz DURSYMJYFDSIEA-QGZVFWFLSA-N -1 3 313.397 4.062 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2ncccc2[O-])CC1 ZINC001611466898 1056163898 /nfs/dbraw/zinc/16/38/98/1056163898.db2.gz DLJYCBGCUFOWQK-SHYRYGCCSA-N -1 3 316.445 4.358 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC001583937464 1056209174 /nfs/dbraw/zinc/20/91/74/1056209174.db2.gz ZFAXBTVOEIBNAV-UHFFFAOYSA-N -1 3 323.417 4.359 20 0 DIADHM C[C@@H]1CC(CNC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC001584053390 1056248055 /nfs/dbraw/zinc/24/80/55/1056248055.db2.gz YAYUKHUPAUFQBO-KBPBESRZSA-N -1 3 321.436 4.043 20 0 DIADHM Fc1cc2[nH]ccc2c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001240029096 1056266141 /nfs/dbraw/zinc/26/61/41/1056266141.db2.gz SVOKUNZILKRVPY-UHFFFAOYSA-N -1 3 313.279 4.072 20 0 DIADHM COc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1Cl ZINC001240029908 1056266392 /nfs/dbraw/zinc/26/63/92/1056266392.db2.gz PFTKFBPVPXHPNJ-UHFFFAOYSA-N -1 3 320.723 4.113 20 0 DIADHM CC(C)CNC(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240093775 1056319778 /nfs/dbraw/zinc/31/97/78/1056319778.db2.gz DKJITPASNPJLHB-UHFFFAOYSA-N -1 3 324.449 4.035 20 0 DIADHM COc1ccc([C@H](C)S[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC001613501779 1056384765 /nfs/dbraw/zinc/38/47/65/1056384765.db2.gz PYEWBYXRLNRNDE-RYUDHWBXSA-N -1 3 304.415 4.055 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC001544367877 1056415016 /nfs/dbraw/zinc/41/50/16/1056415016.db2.gz MMPGHPVKBJROGO-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)c([O-])c1 ZINC001544879768 1056519980 /nfs/dbraw/zinc/51/99/80/1056519980.db2.gz IJHOUFWLARZLMB-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001585305378 1056526702 /nfs/dbraw/zinc/52/67/02/1056526702.db2.gz WSRBQOQYCANIFZ-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM CCc1ccc(C(=O)NCc2ccccc2CC(C)C)c([O-])c1 ZINC001585445000 1056557418 /nfs/dbraw/zinc/55/74/18/1056557418.db2.gz MBISLIPDUPITCH-UHFFFAOYSA-N -1 3 311.425 4.083 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cc(F)c(OC(F)F)c(F)c1 ZINC001212444606 1056562447 /nfs/dbraw/zinc/56/24/47/1056562447.db2.gz CFKIURFUPSXJNT-UHFFFAOYSA-N -1 3 322.645 4.064 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001615710637 1056565200 /nfs/dbraw/zinc/56/52/00/1056565200.db2.gz GMPMPKAMFXWALK-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc([O-])c4ccccc4c3)C2)C1 ZINC000355589433 1056626700 /nfs/dbraw/zinc/62/67/00/1056626700.db2.gz OPPZGFOZSASMGQ-JLTOFOAXSA-N -1 3 309.409 4.198 20 0 DIADHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc([O-])c4ccccc4c3)C2)C1 ZINC000355589435 1056627108 /nfs/dbraw/zinc/62/71/08/1056627108.db2.gz OPPZGFOZSASMGQ-VLIAUNLRSA-N -1 3 309.409 4.198 20 0 DIADHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc([O-])c4ccccc4c3)C2)C1 ZINC000355589436 1056627614 /nfs/dbraw/zinc/62/76/14/1056627614.db2.gz OPPZGFOZSASMGQ-XOBRGWDASA-N -1 3 309.409 4.198 20 0 DIADHM CC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001585898353 1056637152 /nfs/dbraw/zinc/63/71/52/1056637152.db2.gz FRGRHADZMBSWGP-LBPRGKRZSA-N -1 3 303.427 4.259 20 0 DIADHM Cc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c([O-])c1C ZINC001585931758 1056643325 /nfs/dbraw/zinc/64/33/25/1056643325.db2.gz CLTYTFWJTJANIC-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM [O-]c1ccc(-c2cnc(F)c(OCc3ccccc3)c2)cc1F ZINC001240786276 1056697007 /nfs/dbraw/zinc/69/70/07/1056697007.db2.gz DPHXOAKLMLDGJP-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c([O-])c1 ZINC001586239701 1056697788 /nfs/dbraw/zinc/69/77/88/1056697788.db2.gz DYZJQYICJKEWMR-UHFFFAOYSA-N -1 3 309.365 4.137 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3ccc([O-])c(F)c3)cc12 ZINC001240787068 1056698328 /nfs/dbraw/zinc/69/83/28/1056698328.db2.gz JWXZGXMVULYHHT-UHFFFAOYSA-N -1 3 314.312 4.050 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc([O-])c(F)c1 ZINC001240786769 1056698543 /nfs/dbraw/zinc/69/85/43/1056698543.db2.gz UFLPZQPDOIRURF-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240789051 1056699601 /nfs/dbraw/zinc/69/96/01/1056699601.db2.gz ROMFSODYTFVSPQ-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM COc1c(F)cc(-c2ccc([O-])c(F)c2)cc1C(F)(F)F ZINC001240790507 1056701281 /nfs/dbraw/zinc/70/12/81/1056701281.db2.gz MWKYOSSUUFWFJL-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1ccc(-c2ccc(O[C@@H]3CCCCO3)cc2F)cc1F ZINC001240791231 1056701881 /nfs/dbraw/zinc/70/18/81/1056701881.db2.gz VTZVXBMIHPFORS-QGZVFWFLSA-N -1 3 306.308 4.243 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC001586420318 1056733154 /nfs/dbraw/zinc/73/31/54/1056733154.db2.gz IPMPZKBPEINGDR-MRXNPFEDSA-N -1 3 313.397 4.305 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(COC(C)(C)C)cc1 ZINC001240943683 1056772375 /nfs/dbraw/zinc/77/23/75/1056772375.db2.gz CJJVRWJYCMEAJV-UHFFFAOYSA-N -1 3 322.412 4.157 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(COC(C)(C)C)cc1 ZINC001240943683 1056772388 /nfs/dbraw/zinc/77/23/88/1056772388.db2.gz CJJVRWJYCMEAJV-UHFFFAOYSA-N -1 3 322.412 4.157 20 0 DIADHM CC(C)OC(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240948097 1056776847 /nfs/dbraw/zinc/77/68/47/1056776847.db2.gz HYAMPLXQZBROSO-UHFFFAOYSA-N -1 3 311.406 4.214 20 0 DIADHM COc1ccc(-c2cc(Nc3cc(F)cc(F)c3[O-])on2)cc1 ZINC001212478123 1056777600 /nfs/dbraw/zinc/77/76/00/1056777600.db2.gz WNIDLKKVEWHEQG-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC001617185962 1056788970 /nfs/dbraw/zinc/78/89/70/1056788970.db2.gz ICJATSWVRVYEMQ-KRWDZBQOSA-N -1 3 309.409 4.241 20 0 DIADHM O=C(c1ccccc1)n1ccc2ccc(-c3ccccc3[O-])nc21 ZINC001241007637 1056812271 /nfs/dbraw/zinc/81/22/71/1056812271.db2.gz GCDPVFWARVMSTR-UHFFFAOYSA-N -1 3 314.344 4.097 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1csc(CC(C)C)n1 ZINC001617330459 1056815104 /nfs/dbraw/zinc/81/51/04/1056815104.db2.gz YRWOAFRBVUTANF-UHFFFAOYSA-N -1 3 324.446 4.455 20 0 DIADHM Cc1ccc(-c2cnc3ccc(C(F)(F)F)cc3n2)c([O-])c1 ZINC001241028928 1056828551 /nfs/dbraw/zinc/82/85/51/1056828551.db2.gz YZYXKGRCTXMBAN-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc2sccc2c([O-])c1 ZINC001617425182 1056830730 /nfs/dbraw/zinc/83/07/30/1056830730.db2.gz GDVDEFCTLIEQGP-SGMGOOAPSA-N -1 3 315.438 4.306 20 0 DIADHM CCCSc1cccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001586955816 1056838737 /nfs/dbraw/zinc/83/87/37/1056838737.db2.gz DSXKBBAIAQWXJH-UHFFFAOYSA-N -1 3 322.817 4.195 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1[O-] ZINC001586984953 1056844216 /nfs/dbraw/zinc/84/42/16/1056844216.db2.gz BOTSNFSJPJJOEK-UHFFFAOYSA-N -1 3 311.381 4.145 20 0 DIADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)s1 ZINC001617608701 1056858177 /nfs/dbraw/zinc/85/81/77/1056858177.db2.gz VLFTUCKVAIHLIY-NSHDSACASA-N -1 3 309.818 4.297 20 0 DIADHM Cc1cc(N2CCCCC2)ncc1-c1c(F)cc([O-])cc1F ZINC001241122499 1056907613 /nfs/dbraw/zinc/90/76/13/1056907613.db2.gz QAZQEJRSXHBDNR-UHFFFAOYSA-N -1 3 304.340 4.031 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000067145651 1056924239 /nfs/dbraw/zinc/92/42/39/1056924239.db2.gz AEUOQTBTNNANHL-BDAKNGLRSA-N -1 3 321.726 4.353 20 0 DIADHM [O-]c1cc(F)cc(-c2cncc(SCc3ccccc3)n2)c1 ZINC001241261344 1056984694 /nfs/dbraw/zinc/98/46/94/1056984694.db2.gz KIBCRQUUVQBKTH-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM [O-]c1cc(F)cc(-c2ncnc3cc(OC(F)(F)F)ccc32)c1 ZINC001241261562 1056984829 /nfs/dbraw/zinc/98/48/29/1056984829.db2.gz BERVXWXZVAZUOP-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM CC(C)(C)[C@H]1CCc2nnc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241261335 1056985122 /nfs/dbraw/zinc/98/51/22/1056985122.db2.gz JZAFDEGZUPFFEA-ZDUSSCGKSA-N -1 3 300.377 4.139 20 0 DIADHM [O-]c1cc(F)cc(-c2ncccc2OCc2ccc(F)cc2)c1 ZINC001241262363 1056986123 /nfs/dbraw/zinc/98/61/23/1056986123.db2.gz ZZGKHSQKPPAWSC-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc3nnc(-c4ccccc4F)n3c2)c1 ZINC001241280916 1056994584 /nfs/dbraw/zinc/99/45/84/1056994584.db2.gz YSLXMHWQVKYKJD-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM [O-]c1ccc(F)c(-c2ccc(OCc3ccccc3)nc2)c1F ZINC001241292662 1056999563 /nfs/dbraw/zinc/99/95/63/1056999563.db2.gz GQHWRUJPCYZZOW-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CCOC(=O)/C=C/c1ccc(-c2c(F)ccc([O-])c2F)c(F)c1 ZINC001241293077 1057000031 /nfs/dbraw/zinc/00/00/31/1057000031.db2.gz AJGQIODZVPXAFT-XBXARRHUSA-N -1 3 322.282 4.053 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241292832 1057000144 /nfs/dbraw/zinc/00/01/44/1057000144.db2.gz JTVUXVWVIXVIJY-UHFFFAOYSA-N -1 3 324.298 4.432 20 0 DIADHM [O-]c1ccc(F)c(-c2ccnc(OCc3ccccc3)c2)c1F ZINC001241291070 1057000368 /nfs/dbraw/zinc/00/03/68/1057000368.db2.gz IMWCBYFETASKPX-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COc1ccc(-c2cccnc2)cc1-c1c(F)ccc([O-])c1F ZINC001241293419 1057000898 /nfs/dbraw/zinc/00/08/98/1057000898.db2.gz WGPSUIZVZCHKRS-UHFFFAOYSA-N -1 3 313.303 4.408 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1c(F)ccc([O-])c1F ZINC001241293862 1057001190 /nfs/dbraw/zinc/00/11/90/1057001190.db2.gz DHADCKPQUGBWDU-UHFFFAOYSA-N -1 3 320.213 4.245 20 0 DIADHM COc1cccc(-c2c(F)ccc([O-])c2F)c1C(F)(F)F ZINC001241295548 1057002151 /nfs/dbraw/zinc/00/21/51/1057002151.db2.gz UITLWVBBLWEQMY-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCOc1ccc2ccccc2c1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444909 1057050041 /nfs/dbraw/zinc/05/00/41/1057050041.db2.gz JBEKUSAZTKXOCH-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM CCOc1ccc2ccccc2c1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444909 1057050043 /nfs/dbraw/zinc/05/00/43/1057050043.db2.gz JBEKUSAZTKXOCH-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccc(F)cc2)CCC1 ZINC000674134262 1057212197 /nfs/dbraw/zinc/21/21/97/1057212197.db2.gz OUGCOFNVMXVERG-UHFFFAOYSA-N -1 3 319.763 4.245 20 0 DIADHM COc1ccc(-c2ccc(C)c(-c3nnn[n-]3)c2)c2ccccc12 ZINC001241980058 1057229817 /nfs/dbraw/zinc/22/98/17/1057229817.db2.gz VERWYBGKBIILBO-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc(-c2ccc(C)c(-c3nn[n-]n3)c2)c2ccccc12 ZINC001241980058 1057229819 /nfs/dbraw/zinc/22/98/19/1057229819.db2.gz VERWYBGKBIILBO-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1c(F)cc(F)cc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157593 1057283560 /nfs/dbraw/zinc/28/35/60/1057283560.db2.gz JTYJLSQSXHIXKI-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM COc1ncnc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242157797 1057283681 /nfs/dbraw/zinc/28/36/81/1057283681.db2.gz MSGCXEVHGOHBLO-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM CC(=O)Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(F)c1 ZINC001242162037 1057284626 /nfs/dbraw/zinc/28/46/26/1057284626.db2.gz JVDCEEQSXZSYTG-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM CC(=O)Nc1ccc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242166309 1057285355 /nfs/dbraw/zinc/28/53/55/1057285355.db2.gz OJDJZJXFDWLXTO-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM CC(C)c1nnc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cn21 ZINC001242166798 1057285537 /nfs/dbraw/zinc/28/55/37/1057285537.db2.gz YSGMJISYBSEAIS-UHFFFAOYSA-N -1 3 321.302 4.244 20 0 DIADHM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)c(OC)c1F ZINC001242167744 1057285814 /nfs/dbraw/zinc/28/58/14/1057285814.db2.gz CVJJJFVESRNAHL-UHFFFAOYSA-N -1 3 316.250 4.234 20 0 DIADHM COC(OC)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242168948 1057285868 /nfs/dbraw/zinc/28/58/68/1057285868.db2.gz XIQWTPONEPIPMK-UHFFFAOYSA-N -1 3 312.287 4.369 20 0 DIADHM O=C1Nc2c(cccc2-c2ccc([O-])c(C(F)(F)F)c2)C12CC2 ZINC001242162781 1057286031 /nfs/dbraw/zinc/28/60/31/1057286031.db2.gz RXEOHXIMBXXXGR-UHFFFAOYSA-N -1 3 319.282 4.062 20 0 DIADHM [O-]c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1C(F)(F)F ZINC001242163097 1057286105 /nfs/dbraw/zinc/28/61/05/1057286105.db2.gz XHZYVWJLOABJDM-UHFFFAOYSA-N -1 3 318.298 4.323 20 0 DIADHM COC(=O)C1(c2ccc(-c3ccc(F)cc3[O-])cc2)CCCC1 ZINC001242218411 1057296413 /nfs/dbraw/zinc/29/64/13/1057296413.db2.gz DAUMGGJVHMYQPW-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2ccc(F)cc2[O-])cc1)C(C)C ZINC001242218698 1057297530 /nfs/dbraw/zinc/29/75/30/1057297530.db2.gz LNYKCYCWZSKCPK-KRWDZBQOSA-N -1 3 302.345 4.111 20 0 DIADHM CCOC(=O)[C@H](CC)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219104 1057298133 /nfs/dbraw/zinc/29/81/33/1057298133.db2.gz XKBYKCAEYCVSJT-OAHLLOKOSA-N -1 3 302.345 4.255 20 0 DIADHM [O-]c1c(F)cccc1-c1ccc(OCc2cccc(F)c2)nc1 ZINC001242352971 1057342263 /nfs/dbraw/zinc/34/22/63/1057342263.db2.gz IWBNQDVQMXYAFU-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM Cc1cc(C(F)(F)F)nc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242780273 1057473400 /nfs/dbraw/zinc/47/34/00/1057473400.db2.gz MFVXKFGUMFTUSZ-UHFFFAOYSA-N -1 3 322.208 4.195 20 0 DIADHM CCCc1ccc([C@H]([N-]c2nnc(C)o2)c2cccs2)cc1 ZINC000553248366 1057530850 /nfs/dbraw/zinc/53/08/50/1057530850.db2.gz QXXIYUPZCZQWQP-INIZCTEOSA-N -1 3 313.426 4.594 20 0 DIADHM FC(F)(F)c1ccc(C(F)(F)F)c(-c2ccc(=S)[n-]n2)c1 ZINC001243032408 1057552141 /nfs/dbraw/zinc/55/21/41/1057552141.db2.gz LBNLVBNNLGDIDL-UHFFFAOYSA-N -1 3 324.249 4.470 20 0 DIADHM [O-]c1cc(-c2cc3c(nn2)-c2ccccc2CCC3)ccc1F ZINC001243046372 1057557539 /nfs/dbraw/zinc/55/75/39/1057557539.db2.gz DTRDUEQRXLPIDQ-UHFFFAOYSA-N -1 3 306.340 4.144 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C)c(C(=O)[O-])c2)c1F ZINC001243198892 1057601703 /nfs/dbraw/zinc/60/17/03/1057601703.db2.gz MOECMAGLDKTFLC-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM Cc1cc(C(=O)[O-])ccc1-c1ccc(CN2CCCC2)c(F)c1 ZINC001243213518 1057607042 /nfs/dbraw/zinc/60/70/42/1057607042.db2.gz SXUNUUIVCKOWBD-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM O=C([O-])c1cc(Cl)cc(-c2cc(N3CCCCC3)ccn2)c1 ZINC001243323939 1057646280 /nfs/dbraw/zinc/64/62/80/1057646280.db2.gz JYRFDEFKOSTWAB-UHFFFAOYSA-N -1 3 316.788 4.091 20 0 DIADHM COc1cccc(OC)c1-c1ccccc1-c1ccc(=S)[n-]n1 ZINC001243337657 1057651231 /nfs/dbraw/zinc/65/12/31/1057651231.db2.gz ZJVNFESOSRCZSA-UHFFFAOYSA-N -1 3 324.405 4.117 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(SC(F)F)c2)c([O-])c1 ZINC000727347677 1057651686 /nfs/dbraw/zinc/65/16/86/1057651686.db2.gz ODVPKGRNHAFGJK-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM Fc1cccc(-c2ccc(=S)[n-]n2)c1OCc1ccccc1 ZINC001243345354 1057654893 /nfs/dbraw/zinc/65/48/93/1057654893.db2.gz APETVYXYJUOOFM-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM O=C(N[C@H](c1ccccc1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000525914664 1057656624 /nfs/dbraw/zinc/65/66/24/1057656624.db2.gz YJABHNAVJFNOSF-HXUWFJFHSA-N -1 3 317.388 4.427 20 0 DIADHM O=C(NCc1ccc(Cl)s1)c1cc([O-])c2ccccc2c1 ZINC000525924688 1057657169 /nfs/dbraw/zinc/65/71/69/1057657169.db2.gz ONFLHDGSGVGEEF-UHFFFAOYSA-N -1 3 317.797 4.190 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(O)c2ccccc2c1 ZINC000525928957 1057657469 /nfs/dbraw/zinc/65/74/69/1057657469.db2.gz XIFKZELWPLXYND-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc([O-])c2ccccc2c1 ZINC000525920222 1057657481 /nfs/dbraw/zinc/65/74/81/1057657481.db2.gz RKWOSBOOOFPSPX-SFHVURJKSA-N -1 3 321.351 4.102 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCCC[C@H]12 ZINC000525930752 1057657643 /nfs/dbraw/zinc/65/76/43/1057657643.db2.gz VEVZSFGPDUPBNV-QBIMZIAESA-N -1 3 309.409 4.196 20 0 DIADHM CCCCn1ncc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000526918191 1057659274 /nfs/dbraw/zinc/65/92/74/1057659274.db2.gz APPPGKAYCJELQU-UHFFFAOYSA-N -1 3 323.396 4.103 20 0 DIADHM O=C(NC1(c2cccc(F)c2)CC1)c1cc([O-])c2ccccc2c1 ZINC000526927406 1057660048 /nfs/dbraw/zinc/66/00/48/1057660048.db2.gz OTXPMHIHHTUAGF-UHFFFAOYSA-N -1 3 321.351 4.104 20 0 DIADHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527159639 1057660805 /nfs/dbraw/zinc/66/08/05/1057660805.db2.gz NDEKDODNVMKLSN-SJCJKPOMSA-N -1 3 321.376 4.192 20 0 DIADHM O=C(Nc1ccc2ncsc2c1)c1cc([O-])c2ccccc2c1 ZINC000527160421 1057660913 /nfs/dbraw/zinc/66/09/13/1057660913.db2.gz HGRSUPZXSQYYSY-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM O=C(Nc1ccc2c(c1)CCCO2)c1cc([O-])c2ccccc2c1 ZINC000527454276 1057664107 /nfs/dbraw/zinc/66/41/07/1057664107.db2.gz JSEPTQLRRRGNDM-UHFFFAOYSA-N -1 3 319.360 4.123 20 0 DIADHM O=C(NC1(c2ccc(F)cc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000527457838 1057664120 /nfs/dbraw/zinc/66/41/20/1057664120.db2.gz TVMQFMQPWAERDF-UHFFFAOYSA-N -1 3 321.351 4.104 20 0 DIADHM CCOc1cc(C)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243394420 1057669718 /nfs/dbraw/zinc/66/97/18/1057669718.db2.gz BQGHPFOCRDLFGW-UHFFFAOYSA-N -1 3 314.332 4.158 20 0 DIADHM [O-]c1cccc(-c2nc(-c3ccccc3)nc3[nH]ccc32)c1F ZINC001243540981 1057708506 /nfs/dbraw/zinc/70/85/06/1057708506.db2.gz BEAKNNCBJRXJKX-UHFFFAOYSA-N -1 3 305.312 4.088 20 0 DIADHM [O-]c1cccc(-c2nc(C(F)(F)F)nc3ccccc32)c1F ZINC001243542163 1057708663 /nfs/dbraw/zinc/70/86/63/1057708663.db2.gz ICHGRFHQWRPFNA-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1cccc(-c2ncnc3c2cccc3C(F)(F)F)c1F ZINC001243544246 1057709156 /nfs/dbraw/zinc/70/91/56/1057709156.db2.gz ONQHFDYNWYZSTK-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM Cc1ccc(-c2nc3c(ncnc3-c3cccc([O-])c3F)o2)cc1 ZINC001243543855 1057709605 /nfs/dbraw/zinc/70/96/05/1057709605.db2.gz JCMBZBBVOMBNGJ-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM [O-]c1cccc(-c2nc(-c3cccnc3)nc3ccccc32)c1F ZINC001243543687 1057709719 /nfs/dbraw/zinc/70/97/19/1057709719.db2.gz HXQLIRFNHJNQPR-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2cccc([O-])c2F)c(F)c1 ZINC001243547397 1057710455 /nfs/dbraw/zinc/71/04/55/1057710455.db2.gz RIRDAQNJEQLIMA-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2cccc([O-])c2F)c1 ZINC001243546745 1057710542 /nfs/dbraw/zinc/71/05/42/1057710542.db2.gz DZCPUAMIPZZWQH-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243547188 1057710566 /nfs/dbraw/zinc/71/05/66/1057710566.db2.gz LZCURHYMPIRIJO-AWEZNQCLSA-N -1 3 302.345 4.255 20 0 DIADHM CCOC(=O)CCCc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243548072 1057710616 /nfs/dbraw/zinc/71/06/16/1057710616.db2.gz ZAMDMTZKWMPDAW-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM CSc1ccc(Cl)cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001243608244 1057731377 /nfs/dbraw/zinc/73/13/77/1057731377.db2.gz ACLWYMUZJITLKJ-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(Cl)cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001243608244 1057731379 /nfs/dbraw/zinc/73/13/79/1057731379.db2.gz ACLWYMUZJITLKJ-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM COCc1ccc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243611624 1057733138 /nfs/dbraw/zinc/73/31/38/1057733138.db2.gz KRZAQIZFOVQSRL-UHFFFAOYSA-N -1 3 300.251 4.364 20 0 DIADHM CSc1ncc(Cl)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243640339 1057740975 /nfs/dbraw/zinc/74/09/75/1057740975.db2.gz MHVREJNEVONZED-UHFFFAOYSA-N -1 3 306.843 4.419 20 0 DIADHM Cc1nc(OCC(C)C)ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243795417 1057781639 /nfs/dbraw/zinc/78/16/39/1057781639.db2.gz TWHANFDJCYIUPZ-UHFFFAOYSA-N -1 3 312.438 4.387 20 0 DIADHM COC(=O)c1ccc2ncc(-c3c([O-])cccc3Cl)cc2c1 ZINC001244043637 1057846562 /nfs/dbraw/zinc/84/65/62/1057846562.db2.gz BYMGOQVCXGKEGS-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM COc1ncc(C(F)(F)F)cc1-c1c([O-])cccc1Cl ZINC001244044553 1057847669 /nfs/dbraw/zinc/84/76/69/1057847669.db2.gz MXPBMHPZYQDKAF-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM COC(=O)c1nc2c(cccc2-c2c([O-])cccc2Cl)s1 ZINC001244047863 1057848826 /nfs/dbraw/zinc/84/88/26/1057848826.db2.gz KXWODNMRSXJBPB-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM COC(=O)c1ccc(-c2c([O-])cccc2Cl)c2cccnc12 ZINC001244049168 1057849678 /nfs/dbraw/zinc/84/96/78/1057849678.db2.gz UZMKDOHJTAXDOD-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CCOc1ccc(C(=O)[O-])cc1-c1ccc(C2=NCCC2)cc1 ZINC001244420892 1057955226 /nfs/dbraw/zinc/95/52/26/1057955226.db2.gz TXSQTLDXQQZAII-UHFFFAOYSA-N -1 3 309.365 4.033 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cccc(C(F)(F)F)n1 ZINC001244456269 1057963102 /nfs/dbraw/zinc/96/31/02/1057963102.db2.gz NQZDHSCQBRFBIB-UHFFFAOYSA-N -1 3 323.192 4.372 20 0 DIADHM Cc1ccc2ncc(-c3cc(OC(F)(F)F)ccc3[O-])nc2c1 ZINC001244456944 1057963309 /nfs/dbraw/zinc/96/33/09/1057963309.db2.gz VUADMROTVFMAFW-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM Cc1ccc2nc(-c3cc(OC(F)(F)F)ccc3[O-])ccc2n1 ZINC001244456312 1057963332 /nfs/dbraw/zinc/96/33/32/1057963332.db2.gz DDINCYUFZTUBEX-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM CSc1cccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244458447 1057963633 /nfs/dbraw/zinc/96/36/33/1057963633.db2.gz MSIPAIVZAYMTHL-UHFFFAOYSA-N -1 3 301.289 4.075 20 0 DIADHM CSc1ccnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244458210 1057963887 /nfs/dbraw/zinc/96/38/87/1057963887.db2.gz CVCBFIROCOXIFM-UHFFFAOYSA-N -1 3 301.289 4.075 20 0 DIADHM CC(C)(C)OC(=O)Nc1cc(-c2ccc(Cl)cc2[O-])ccn1 ZINC001244469683 1057968170 /nfs/dbraw/zinc/96/81/70/1057968170.db2.gz PYWIKOTZSHOHLV-UHFFFAOYSA-N -1 3 320.776 4.455 20 0 DIADHM CNC(=O)c1ccc2cc(-c3ccc(Cl)cc3[O-])ccc2c1 ZINC001244474147 1057970061 /nfs/dbraw/zinc/97/00/61/1057970061.db2.gz WZSXWUGVSPHTTJ-UHFFFAOYSA-N -1 3 311.768 4.225 20 0 DIADHM CC1(C)NC(=O)Nc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244473615 1057970128 /nfs/dbraw/zinc/97/01/28/1057970128.db2.gz YTUABLKBZWTOBK-UHFFFAOYSA-N -1 3 302.761 4.083 20 0 DIADHM CSc1ccc(-c2ccc(=S)[n-]n2)cc1C(F)(F)F ZINC001244493555 1057974990 /nfs/dbraw/zinc/97/49/90/1057974990.db2.gz VYSFTUCLKJSZOT-UHFFFAOYSA-N -1 3 302.346 4.173 20 0 DIADHM Cc1cc(-c2nc3ccccc3nc2N2CCCC2)cc([O-])c1F ZINC001244506285 1057979381 /nfs/dbraw/zinc/97/93/81/1057979381.db2.gz FMDZQAJIBVFDMT-UHFFFAOYSA-N -1 3 323.371 4.050 20 0 DIADHM Cc1cc(-c2nccc(Oc3ccc(F)cc3)n2)cc([O-])c1F ZINC001244505849 1057979867 /nfs/dbraw/zinc/97/98/67/1057979867.db2.gz CXQVOZZBUGHMND-UHFFFAOYSA-N -1 3 314.291 4.228 20 0 DIADHM Cc1cc(-c2nc(-c3ccccc3)nc3[nH]ccc32)cc([O-])c1F ZINC001244507938 1057980191 /nfs/dbraw/zinc/98/01/91/1057980191.db2.gz QVBDKPVIUZBDRV-UHFFFAOYSA-N -1 3 319.339 4.397 20 0 DIADHM Cc1cc(-c2cc3c(nn2)-c2ccccc2CCC3)cc([O-])c1F ZINC001244506548 1057980443 /nfs/dbraw/zinc/98/04/43/1057980443.db2.gz GMEOPZCLIQHQCH-UHFFFAOYSA-N -1 3 320.367 4.452 20 0 DIADHM Cc1cc(-c2ccc(-c3c(F)cccc3F)nn2)cc([O-])c1F ZINC001244506606 1057980522 /nfs/dbraw/zinc/98/05/22/1057980522.db2.gz HMJKMLVEHIDVBG-UHFFFAOYSA-N -1 3 316.282 4.242 20 0 DIADHM Cc1cc(-c2nc3ccccc3nc2C(F)(F)F)cc([O-])c1F ZINC001244508054 1057980602 /nfs/dbraw/zinc/98/06/02/1057980602.db2.gz SSKRAOIDCKPELP-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1cc(-c2nnc(C3CC3)cc2C(F)(F)F)cc([O-])c1F ZINC001244508893 1057981047 /nfs/dbraw/zinc/98/10/47/1057981047.db2.gz TZCVQOQMOPTMCV-UHFFFAOYSA-N -1 3 312.266 4.193 20 0 DIADHM Cc1cc(-c2cc(-c3nc(C(C)C)no3)ccn2)cc([O-])c1F ZINC001244508907 1057981148 /nfs/dbraw/zinc/98/11/48/1057981148.db2.gz UHTXIKHQGCYAHZ-UHFFFAOYSA-N -1 3 313.332 4.075 20 0 DIADHM COc1cc2nccc(-c3cc(C)c(F)c([O-])c3)c2cc1OC ZINC001244515712 1057983071 /nfs/dbraw/zinc/98/30/71/1057983071.db2.gz KXONXIFXWBNNDQ-UHFFFAOYSA-N -1 3 313.328 4.072 20 0 DIADHM Cc1cc(-c2cnc3[nH]c(-c4ccccc4)nc3c2)cc([O-])c1F ZINC001244514808 1057983372 /nfs/dbraw/zinc/98/33/72/1057983372.db2.gz DIGKRYOVEGOBNW-UHFFFAOYSA-N -1 3 319.339 4.445 20 0 DIADHM COC(=O)C1(c2ccc(-c3cc(C)c(F)c([O-])c3)cc2)CCC1 ZINC001244521209 1057984247 /nfs/dbraw/zinc/98/42/47/1057984247.db2.gz QFAOCDWVPHDPIH-UHFFFAOYSA-N -1 3 314.356 4.101 20 0 DIADHM CNC(=O)c1ccc2cc(-c3cc(C)c(F)c([O-])c3)ccc2c1 ZINC001244520768 1057984517 /nfs/dbraw/zinc/98/45/17/1057984517.db2.gz MENKWJYKIJAKIV-UHFFFAOYSA-N -1 3 309.340 4.020 20 0 DIADHM Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)cc([O-])c1F ZINC001244521004 1057984557 /nfs/dbraw/zinc/98/45/57/1057984557.db2.gz PVQMXOGZKGJARF-UHFFFAOYSA-N -1 3 313.372 4.133 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C(C)(C)CC(=O)N3C)cc([O-])c1F ZINC001244524839 1057985334 /nfs/dbraw/zinc/98/53/34/1057985334.db2.gz HTKIYLNESDUCOZ-UHFFFAOYSA-N -1 3 313.372 4.151 20 0 DIADHM Cc1nc(-c2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2)no1 ZINC001244537635 1057988824 /nfs/dbraw/zinc/98/88/24/1057988824.db2.gz OACUFNJTEQKODA-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM COC(=O)c1cc2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2[nH]1 ZINC001244537194 1057989073 /nfs/dbraw/zinc/98/90/73/1057989073.db2.gz JCUHWDZSTDYWFF-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM COC(=O)c1cc2cc(-c3cc(C)c([O-])c(Cl)c3)ccc2[nH]1 ZINC001244538881 1057989711 /nfs/dbraw/zinc/98/97/11/1057989711.db2.gz ZPGHTBTVXCWJKP-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM CCC(=O)NCc1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244538824 1057989997 /nfs/dbraw/zinc/98/99/97/1057989997.db2.gz XIDCSKORKJNBNF-UHFFFAOYSA-N -1 3 303.789 4.047 20 0 DIADHM COC(=O)c1cc2cc[nH]c2c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244548230 1057992713 /nfs/dbraw/zinc/99/27/13/1057992713.db2.gz YNVULLQXEAMFKL-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM CCOC(=O)c1c(F)cccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244547970 1057992746 /nfs/dbraw/zinc/99/27/46/1057992746.db2.gz QFDKFQWUVUOISD-UHFFFAOYSA-N -1 3 308.736 4.337 20 0 DIADHM Cc1cc(-c2ccccc2-c2nnn[n-]2)c(Cl)cc1Cl ZINC001244749996 1058041559 /nfs/dbraw/zinc/04/15/59/1058041559.db2.gz HGOGGPNGLSMMBE-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2ccccc2-c2nn[n-]n2)c(Cl)cc1Cl ZINC001244749996 1058041561 /nfs/dbraw/zinc/04/15/61/1058041561.db2.gz HGOGGPNGLSMMBE-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM COC(=O)c1cc2c(cncc2-c2cc(Cl)ccc2[O-])s1 ZINC001245051035 1058103235 /nfs/dbraw/zinc/10/32/35/1058103235.db2.gz RJTQYWJQMCPZOQ-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM CCc1cc(-c2ccc([O-])cc2Cl)nc(-c2ccncc2)n1 ZINC001245078964 1058107528 /nfs/dbraw/zinc/10/75/28/1058107528.db2.gz NWRIGKAKUFBHIX-UHFFFAOYSA-N -1 3 311.772 4.127 20 0 DIADHM [O-]c1ccc(-c2nc(-c3cccnc3)nc3c2CCC3)c(Cl)c1 ZINC001245078758 1058107902 /nfs/dbraw/zinc/10/79/02/1058107902.db2.gz GEZYDPAREBOMLJ-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM [O-]c1ccc(-c2ncc3c(n2)-c2ccccc2CC3)c(Cl)c1 ZINC001245080202 1058108240 /nfs/dbraw/zinc/10/82/40/1058108240.db2.gz VGVLCACSSKHRTB-UHFFFAOYSA-N -1 3 308.768 4.268 20 0 DIADHM [O-]c1ccc(-c2cc(-c3nc(C4CC4)no3)ccn2)c(Cl)c1 ZINC001245080742 1058108399 /nfs/dbraw/zinc/10/83/99/1058108399.db2.gz WGJSMOXKHIKUBE-UHFFFAOYSA-N -1 3 313.744 4.035 20 0 DIADHM [O-]c1ccc(-c2ccnc(CCc3ccccc3)n2)c(Cl)c1 ZINC001245080776 1058108427 /nfs/dbraw/zinc/10/84/27/1058108427.db2.gz XZWCYRRBNUPNBB-UHFFFAOYSA-N -1 3 310.784 4.288 20 0 DIADHM [O-]c1ccc(-c2ncc(OCc3ccccc3)cn2)c(Cl)c1 ZINC001245082059 1058108436 /nfs/dbraw/zinc/10/84/36/1058108436.db2.gz RDNFXKMVUYSXHC-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1ccc(-c2nccnc2C2SCCCS2)c(Cl)c1 ZINC001245081989 1058108440 /nfs/dbraw/zinc/10/84/40/1058108440.db2.gz PCPAJMNWJNIHGJ-UHFFFAOYSA-N -1 3 324.858 4.371 20 0 DIADHM O=C(N[C@H]1CCc2c1cccc2F)c1cc([O-])c2ccccc2c1 ZINC000527451250 1058130974 /nfs/dbraw/zinc/13/09/74/1058130974.db2.gz AYSHUERJGAKJQD-SFHVURJKSA-N -1 3 321.351 4.102 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCCC2(C1)CCCCCC2 ZINC001545108201 1058182623 /nfs/dbraw/zinc/18/26/23/1058182623.db2.gz ABVGSFITBXFSJV-UHFFFAOYSA-N -1 3 301.430 4.277 20 0 DIADHM CCC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001545286907 1058191095 /nfs/dbraw/zinc/19/10/95/1058191095.db2.gz BIEBLXRBMOZZIW-UHFFFAOYSA-N -1 3 323.436 4.293 20 0 DIADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001545245861 1058191656 /nfs/dbraw/zinc/19/16/56/1058191656.db2.gz YYPNWBHQWQYRJX-CJNGLKHVSA-N -1 3 321.436 4.185 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001545652352 1058217076 /nfs/dbraw/zinc/21/70/76/1058217076.db2.gz USQPEPYELAXYMU-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1c([O-])cccc1F ZINC001245656173 1058312832 /nfs/dbraw/zinc/31/28/32/1058312832.db2.gz MSCALYMMJZUHNH-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656858 1058313150 /nfs/dbraw/zinc/31/31/50/1058313150.db2.gz VYXFRSQHHZRWPN-AWEZNQCLSA-N -1 3 302.345 4.255 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1c([O-])cccc1F ZINC001245654680 1058313462 /nfs/dbraw/zinc/31/34/62/1058313462.db2.gz GQIIPIDSBMWTGF-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM COc1cc(-c2c([O-])cccc2F)ccc1OC(F)(F)F ZINC001245657998 1058314916 /nfs/dbraw/zinc/31/49/16/1058314916.db2.gz WRPHXDHJBGBMER-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(O[C@@H]2CCCCO2)cc1F ZINC001245658052 1058315033 /nfs/dbraw/zinc/31/50/33/1058315033.db2.gz YCOPPYLQTYBCPN-MRXNPFEDSA-N -1 3 306.308 4.243 20 0 DIADHM FC(F)(F)c1cccc(-c2ccccc2-c2nnn[n-]2)c1Cl ZINC001245711371 1058386275 /nfs/dbraw/zinc/38/62/75/1058386275.db2.gz PBSIVIZUZCKAKU-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cccc(-c2ccccc2-c2nn[n-]n2)c1Cl ZINC001245711371 1058386294 /nfs/dbraw/zinc/38/62/94/1058386294.db2.gz PBSIVIZUZCKAKU-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CSc1c(Cl)cccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001245777285 1058462139 /nfs/dbraw/zinc/46/21/39/1058462139.db2.gz MFMHZQBHCWPDFF-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1c(Cl)cccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001245777285 1058462152 /nfs/dbraw/zinc/46/21/52/1058462152.db2.gz MFMHZQBHCWPDFF-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CCc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1OC ZINC001245792038 1058476583 /nfs/dbraw/zinc/47/65/83/1058476583.db2.gz QLYVSBPMKRMLSM-UHFFFAOYSA-N -1 3 314.332 4.022 20 0 DIADHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081979 1058540364 /nfs/dbraw/zinc/54/03/64/1058540364.db2.gz UPGQTBFAURTYCM-NSHDSACASA-N -1 3 319.788 4.475 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c2ncccc12 ZINC001556081640 1058541270 /nfs/dbraw/zinc/54/12/70/1058541270.db2.gz GCCGICVHICUNEK-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1Cl ZINC001245848365 1058554787 /nfs/dbraw/zinc/55/47/87/1058554787.db2.gz XYKJXJRBTBFYDK-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001556254916 1058569294 /nfs/dbraw/zinc/56/92/94/1058569294.db2.gz HETCWBWLAXPVLG-MSOLQXFVSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c([O-])c1 ZINC001556415825 1058589381 /nfs/dbraw/zinc/58/93/81/1058589381.db2.gz DRRGLSWYTMNBGQ-INIZCTEOSA-N -1 3 309.409 4.491 20 0 DIADHM CCc1ccccc1OCCC(=O)Nc1c([O-])cccc1Cl ZINC001556783991 1058642265 /nfs/dbraw/zinc/64/22/65/1058642265.db2.gz HXORVMOWQKWJMD-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001556804322 1058645370 /nfs/dbraw/zinc/64/53/70/1058645370.db2.gz YNXCLEICZKVTED-ZDUSSCGKSA-N -1 3 311.853 4.393 20 0 DIADHM CC(=O)c1cccc(NC(=O)C=Cc2cc(C)c(C)cc2C)c1[O-] ZINC001556853508 1058655302 /nfs/dbraw/zinc/65/53/02/1058655302.db2.gz KLHZCNYZKQFVRK-CMDGGOBGSA-N -1 3 323.392 4.172 20 0 DIADHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556847909 1058656245 /nfs/dbraw/zinc/65/62/45/1058656245.db2.gz QYFAETPFKBRTOO-LSDHHAIUSA-N -1 3 319.445 4.346 20 0 DIADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC001557027849 1058687198 /nfs/dbraw/zinc/68/71/98/1058687198.db2.gz BNXWPNYYDMPGCU-HZPDHXFCSA-N -1 3 303.446 4.291 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC2(C)CCC(C)(C)CC2)c1 ZINC001557041621 1058689609 /nfs/dbraw/zinc/68/96/09/1058689609.db2.gz HVWYIHHDSRBPTH-UHFFFAOYSA-N -1 3 321.486 4.450 20 0 DIADHM CN(C)c1cc(F)cc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001557343937 1058737283 /nfs/dbraw/zinc/73/72/83/1058737283.db2.gz XMJBFRDBFMTHAU-UHFFFAOYSA-N -1 3 324.355 4.003 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC001557559095 1058766278 /nfs/dbraw/zinc/76/62/78/1058766278.db2.gz SFKDEIUCHNCQSP-ZDUSSCGKSA-N -1 3 315.438 4.259 20 0 DIADHM O=C(NCC[C@@H]1CC=CCC1)c1cc2sccc2c([O-])c1 ZINC001557944580 1058814429 /nfs/dbraw/zinc/81/44/29/1058814429.db2.gz FJYNMIWTADIBOZ-GFCCVEGCSA-N -1 3 301.411 4.083 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)c1 ZINC001558221121 1058850678 /nfs/dbraw/zinc/85/06/78/1058850678.db2.gz FAZUSINYMUZEAB-KZULUSFZSA-N -1 3 321.486 4.449 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@H](C)c2ccccc2)c([O-])c1 ZINC001558901016 1058922590 /nfs/dbraw/zinc/92/25/90/1058922590.db2.gz SNVVTYWNCCABJU-CQSZACIVSA-N -1 3 313.397 4.062 20 0 DIADHM Cc1ccc(-c2nc(NC(=O)CCC3CCCCCC3)n[n-]2)o1 ZINC001558948163 1058926400 /nfs/dbraw/zinc/92/64/00/1058926400.db2.gz ULAMGQKMZFKPGU-UHFFFAOYSA-N -1 3 316.405 4.062 20 0 DIADHM [O-]c1ccc(Cc2nc(-c3cccc4c3CCCC4)no2)cc1F ZINC001247565336 1059549655 /nfs/dbraw/zinc/54/96/55/1059549655.db2.gz TWASPCMRACIXKR-UHFFFAOYSA-N -1 3 324.355 4.051 20 0 DIADHM Cc1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)cc1Cl ZINC001247565375 1059550769 /nfs/dbraw/zinc/55/07/69/1059550769.db2.gz VYXLOHSPKOOXMI-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1cc(Cl)ccc1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001248415212 1059821306 /nfs/dbraw/zinc/82/13/06/1059821306.db2.gz IXPZOMZHLXXOEE-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CC(=O)OCc1cc(Nc2cccc(Cl)c2[O-])ccc1C ZINC001248578419 1059899378 /nfs/dbraw/zinc/89/93/78/1059899378.db2.gz HGBIXZYNTGYZII-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM CC(=O)OCc1cc(Nc2ccc(C)c([O-])c2Cl)ccc1C ZINC001248583539 1059899965 /nfs/dbraw/zinc/89/99/65/1059899965.db2.gz WUFMCQHPNQGAGM-UHFFFAOYSA-N -1 3 319.788 4.469 20 0 DIADHM COc1ccc(C)cc1NC(=S)Nc1c([O-])cccc1Cl ZINC001249669482 1060340816 /nfs/dbraw/zinc/34/08/16/1060340816.db2.gz XFVQKXQJFNKATF-UHFFFAOYSA-N -1 3 322.817 4.172 20 0 DIADHM Cc1cc(C)c(NC(=S)Nc2ncc([O-])cc2Cl)c(C)c1 ZINC001249726781 1060372246 /nfs/dbraw/zinc/37/22/46/1060372246.db2.gz YQPJLHBEYWIILL-UHFFFAOYSA-N -1 3 321.833 4.175 20 0 DIADHM Cc1cc(C)c(NC(=S)Nc2c([O-])cccc2F)c(C)c1 ZINC001249733267 1060379548 /nfs/dbraw/zinc/37/95/48/1060379548.db2.gz PFNICXFKJGPFDG-UHFFFAOYSA-N -1 3 304.390 4.265 20 0 DIADHM Nc1ccc(Nc2cccc([O-])c2Br)c(Cl)c1 ZINC001249743475 1060383607 /nfs/dbraw/zinc/38/36/07/1060383607.db2.gz WTYLBZHWARPJNS-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)[N-]c1c(F)ccnc1F ZINC001527209866 1060466189 /nfs/dbraw/zinc/46/61/89/1060466189.db2.gz HZKMMDMFNQMROJ-UHFFFAOYSA-N -1 3 323.368 4.035 20 0 DIADHM CC(C)c1scnc1[N-]C(=O)c1ocnc1-c1ccccc1 ZINC001527307218 1060482062 /nfs/dbraw/zinc/48/20/62/1060482062.db2.gz GBXGXYNHVWGPOB-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(N3CCCCC3)nc2)cc1Cl ZINC001250020847 1060543174 /nfs/dbraw/zinc/54/31/74/1060543174.db2.gz TVEPQTCHCQTMKH-UHFFFAOYSA-N -1 3 321.783 4.314 20 0 DIADHM CCOC(=O)c1nc(C)oc1[N-]c1c(Cl)cccc1Cl ZINC001250029510 1060556580 /nfs/dbraw/zinc/55/65/80/1060556580.db2.gz OXZOYOMGWMVOMZ-UHFFFAOYSA-N -1 3 315.156 4.210 20 0 DIADHM Cc1c(F)ccc(Nc2cccc([O-])c2Br)c1F ZINC001250053569 1060571210 /nfs/dbraw/zinc/57/12/10/1060571210.db2.gz HKRPUZQKKVNWGJ-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM COc1c(Cl)ccc(F)c1Nc1cc([O-])c(F)cc1F ZINC001250106174 1060614004 /nfs/dbraw/zinc/61/40/04/1060614004.db2.gz QXIPOXMHFJQENK-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM O=c1cc(Nc2ccc(Cl)c(F)c2F)[n-]n1-c1ccccc1 ZINC001250112213 1060618770 /nfs/dbraw/zinc/61/87/70/1060618770.db2.gz BMDFZNOWOJMSKX-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM CCOc1c(F)cc([N-]c2nnc(-c3ccco3)o2)cc1Cl ZINC001250219841 1060698655 /nfs/dbraw/zinc/69/86/55/1060698655.db2.gz SVFCQIMGHILGBF-UHFFFAOYSA-N -1 3 323.711 4.264 20 0 DIADHM [O-]c1ccc(CN2CCCSc3ccc(F)cc32)cc1F ZINC001560865752 1060724549 /nfs/dbraw/zinc/72/45/49/1060724549.db2.gz JTBXTAYXLCLWBB-UHFFFAOYSA-N -1 3 307.365 4.173 20 0 DIADHM [O-]C(=Cc1c(F)c(F)ccc1Cl)c1ccc(F)cc1F ZINC001250250525 1060729603 /nfs/dbraw/zinc/72/96/03/1060729603.db2.gz JUYMIGUIEMEXJD-UHFFFAOYSA-N -1 3 302.654 4.322 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2c2ccc(F)cc2F)cc1F ZINC001560885141 1060746710 /nfs/dbraw/zinc/74/67/10/1060746710.db2.gz TVPUYGJTQCHAJJ-INIZCTEOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cccc(Nc2ccc(CO)c(F)c2Cl)c1Cl ZINC001250301760 1060769336 /nfs/dbraw/zinc/76/93/36/1060769336.db2.gz GTSUVSOHZUQICY-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3cc(-c4ccccc4)on3)[n-]c21 ZINC001250521321 1060867432 /nfs/dbraw/zinc/86/74/32/1060867432.db2.gz AFRFAGYOSUBMCE-UHFFFAOYSA-N -1 3 315.254 4.302 20 0 DIADHM Fc1cc(F)c(F)c2[n-]c(-c3nc4ccccc4s3)nc21 ZINC001250633551 1060964417 /nfs/dbraw/zinc/96/44/17/1060964417.db2.gz GBNVRJWOYTYDLW-UHFFFAOYSA-N -1 3 305.284 4.257 20 0 DIADHM [O-]c1cccnc1-c1nc2ccccc2n1-c1c(F)cccc1F ZINC001250695644 1061025357 /nfs/dbraw/zinc/02/53/57/1061025357.db2.gz JQRFNMLHROVGNI-UHFFFAOYSA-N -1 3 323.302 4.071 20 0 DIADHM Cc1cc2[nH]c(-c3cc(F)ccc3[O-])nc2cc1C(F)(F)F ZINC001250837092 1061088962 /nfs/dbraw/zinc/08/89/62/1061088962.db2.gz CQWLZNBWUVFVAK-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM CCCCn1c2cc(F)ccc2nc1-c1cc(F)ccc1[O-] ZINC001250837530 1061089492 /nfs/dbraw/zinc/08/94/92/1061089492.db2.gz GZJXCKWPITVIOQ-UHFFFAOYSA-N -1 3 302.324 4.487 20 0 DIADHM CCCCn1c2ccc(Cl)cc2nc1-c1ccncc1[O-] ZINC001250858254 1061097386 /nfs/dbraw/zinc/09/73/86/1061097386.db2.gz SCZQPDGCNGQFFR-UHFFFAOYSA-N -1 3 301.777 4.257 20 0 DIADHM [O-]c1cnccc1-c1nc2cc(Oc3ccccc3)ccc2[nH]1 ZINC001250858680 1061097592 /nfs/dbraw/zinc/09/75/92/1061097592.db2.gz FTHKXSKMXZRACK-UHFFFAOYSA-N -1 3 303.321 4.123 20 0 DIADHM [O-]c1cnccc1-c1nc2ccccc2n1-c1c(F)cccc1F ZINC001250861095 1061099629 /nfs/dbraw/zinc/09/96/29/1061099629.db2.gz ZGIKPKUUMPEOLC-UHFFFAOYSA-N -1 3 323.302 4.071 20 0 DIADHM COc1cc2nc(-c3ccc(Cl)cc3[O-])[nH]c2cc1Cl ZINC001250872522 1061103898 /nfs/dbraw/zinc/10/38/98/1061103898.db2.gz SPFFJZXVPAKHOW-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc2[nH]c(-c3ccc(Cl)cc3[O-])nc2cc1Cl ZINC001250872522 1061103906 /nfs/dbraw/zinc/10/39/06/1061103906.db2.gz SPFFJZXVPAKHOW-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM CC(C)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1O ZINC001455163087 1061211301 /nfs/dbraw/zinc/21/13/01/1061211301.db2.gz SKKFJQHEJOAPIB-UHFFFAOYSA-N -1 3 305.761 4.127 20 0 DIADHM COc1cc([O-])c(-c2nc3c(cc(C)cc3C)[nH]2)cc1Cl ZINC001251083189 1061227217 /nfs/dbraw/zinc/22/72/17/1061227217.db2.gz QTBVWOIZNQFIOW-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM Fc1cc2[n-]c(-c3nc4ccccc4o3)nc2c(F)c1Cl ZINC001251155169 1061253102 /nfs/dbraw/zinc/25/31/02/1061253102.db2.gz UATDTYDTGQDMMD-UHFFFAOYSA-N -1 3 305.671 4.303 20 0 DIADHM CCCn1c(-c2cccc([O-])c2F)nc2ccc(F)c(F)c21 ZINC001251255746 1061292410 /nfs/dbraw/zinc/29/24/10/1061292410.db2.gz WZFOSYFNJGWXPG-UHFFFAOYSA-N -1 3 306.287 4.236 20 0 DIADHM [O-]c1cccc(-c2nc3c(ccc4ncccc34)n2C2CC2)c1F ZINC001251255293 1061292572 /nfs/dbraw/zinc/29/25/72/1061292572.db2.gz LICATMNHJAWQNR-UHFFFAOYSA-N -1 3 319.339 4.431 20 0 DIADHM COc1ccc(-c2nc3c(ccc(F)c3C)[nH]2)c(Cl)c1[O-] ZINC001251335679 1061319413 /nfs/dbraw/zinc/31/94/13/1061319413.db2.gz LXRPAUZGWXVURO-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM COc1ccc(-c2nc3cc(Cl)ccc3n2C)c(Cl)c1[O-] ZINC001251335989 1061321725 /nfs/dbraw/zinc/32/17/25/1061321725.db2.gz XIVIEIAVGYTCJF-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM COc1ccc(-c2nc3cc(SC)ccc3[nH]2)c(Cl)c1[O-] ZINC001251335876 1061321959 /nfs/dbraw/zinc/32/19/59/1061321959.db2.gz TXZWPDJUSWRHJO-UHFFFAOYSA-N -1 3 320.801 4.319 20 0 DIADHM Cc1cc2nc(-c3cccc(C(F)(F)F)c3[O-])[nH]c2cc1F ZINC001251340961 1061324130 /nfs/dbraw/zinc/32/41/30/1061324130.db2.gz CLLSUBBINLUBOC-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM COc1cc2nc(-c3ccc(C(F)(F)F)cc3[O-])[nH]c2cc1C ZINC001251349165 1061329556 /nfs/dbraw/zinc/32/95/56/1061329556.db2.gz LPDZTUNHVUMONJ-UHFFFAOYSA-N -1 3 322.286 4.271 20 0 DIADHM Cc1ccc(F)c2nc(-c3ccc(C(F)(F)F)cc3[O-])[nH]c21 ZINC001251349820 1061330550 /nfs/dbraw/zinc/33/05/50/1061330550.db2.gz VZKWHRGSOYNACZ-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM CC[C@H]1CCCc2sc(NC(=O)c3cccc(C)c3[O-])nc21 ZINC001456725202 1061363214 /nfs/dbraw/zinc/36/32/14/1061363214.db2.gz RQTKZEYVPYGBJL-NSHDSACASA-N -1 3 316.426 4.239 20 0 DIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C2CC2)c(C)c1 ZINC001251451854 1061363984 /nfs/dbraw/zinc/36/39/84/1061363984.db2.gz DOYRQJJUVGGBEQ-UHFFFAOYSA-N -1 3 315.438 4.290 20 0 DIADHM COc1ccc2nc(-c3cc(Cl)c(Cl)cc3[O-])[nH]c2c1 ZINC001251491043 1061377763 /nfs/dbraw/zinc/37/77/63/1061377763.db2.gz FRLOLZFPIUPOEX-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc([O-])c(-c2nc3c([nH]2)c(C)ccc3F)c(Cl)c1 ZINC001251491207 1061379508 /nfs/dbraw/zinc/37/95/08/1061379508.db2.gz IJMMBWMTXYWUIE-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3ccc(F)c(F)c3n2C2CC2)c1 ZINC001251570080 1061404001 /nfs/dbraw/zinc/40/40/01/1061404001.db2.gz RLPVORWRSGQRNM-UHFFFAOYSA-N -1 3 304.271 4.161 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]1C1CCCC1 ZINC001457175579 1061414277 /nfs/dbraw/zinc/41/42/77/1061414277.db2.gz JQGSHKMXGANJBZ-CQSZACIVSA-N -1 3 301.411 4.012 20 0 DIADHM Cc1coc(-c2nc3c(cc(C(F)(F)F)cc3Cl)[n-]2)n1 ZINC001251638742 1061426605 /nfs/dbraw/zinc/42/66/05/1061426605.db2.gz PCJDGYBSMVDAOL-UHFFFAOYSA-N -1 3 301.655 4.199 20 0 DIADHM [O-]c1cc(F)c(-c2nc3ccc4ncccc4c3[nH]2)cc1Cl ZINC001251710981 1061453911 /nfs/dbraw/zinc/45/39/11/1061453911.db2.gz VVWUEIWYBNMUJL-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM [O-]c1cc(F)c(-c2nc3c([nH]2)c(F)c(F)cc3F)cc1Cl ZINC001251714356 1061454346 /nfs/dbraw/zinc/45/43/46/1061454346.db2.gz WZOCWXRXPWJSTD-UHFFFAOYSA-N -1 3 316.641 4.145 20 0 DIADHM Cn1c2cc(F)ccc2nc1-c1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001251812572 1061496496 /nfs/dbraw/zinc/49/64/96/1061496496.db2.gz VNKZFVUGTOYCNY-UHFFFAOYSA-N -1 3 324.355 4.269 20 0 DIADHM O=C(CCc1c(Cl)cccc1Cl)[N-]OCc1ccccc1 ZINC001463936318 1061536158 /nfs/dbraw/zinc/53/61/58/1061536158.db2.gz WMFIGXVXNKAZAT-UHFFFAOYSA-N -1 3 324.207 4.174 20 0 DIADHM Cc1c(Cl)cc(NC[C@H](O)c2ccccc2)c([O-])c1Cl ZINC001251999906 1061552792 /nfs/dbraw/zinc/55/27/92/1061552792.db2.gz XPPCFKSCUZUBAF-ZDUSSCGKSA-N -1 3 312.196 4.153 20 0 DIADHM CCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC001464277511 1061570556 /nfs/dbraw/zinc/57/05/56/1061570556.db2.gz DIUWYFFQSVFIKV-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC001464320821 1061576543 /nfs/dbraw/zinc/57/65/43/1061576543.db2.gz NLBXBIVVUKSQFR-UHFFFAOYSA-N -1 3 319.788 4.395 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC001464361363 1061581444 /nfs/dbraw/zinc/58/14/44/1061581444.db2.gz KOHTYOJXLWCEPT-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C)cc1 ZINC001252198051 1061606176 /nfs/dbraw/zinc/60/61/76/1061606176.db2.gz IMOOKRCGULFPRI-UHFFFAOYSA-N -1 3 311.406 4.257 20 0 DIADHM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001252190159 1061606847 /nfs/dbraw/zinc/60/68/47/1061606847.db2.gz LMFHAMOZHHDYDA-UHFFFAOYSA-N -1 3 309.818 4.012 20 0 DIADHM CCC[C@H](CC)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464640296 1061617396 /nfs/dbraw/zinc/61/73/96/1061617396.db2.gz GCFGRUNJHDWJJA-KRWDZBQOSA-N -1 3 311.425 4.292 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(CCSC)cc2)c1[O-] ZINC001464766516 1061630950 /nfs/dbraw/zinc/63/09/50/1061630950.db2.gz FABWXFMQBGITLY-UHFFFAOYSA-N -1 3 315.438 4.112 20 0 DIADHM Cc1ccc(-c2csc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC001464857160 1061640601 /nfs/dbraw/zinc/64/06/01/1061640601.db2.gz RVFHRLDWAJDZKB-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1coc(C=O)c1 ZINC001464991400 1061659705 /nfs/dbraw/zinc/65/97/05/1061659705.db2.gz JYPHBIVUQCKRNB-UHFFFAOYSA-N -1 3 309.774 4.110 20 0 DIADHM Cc1ccc(-c2nnc(-c3c([O-])cc4ccccc4c3O)o2)cc1 ZINC001252624654 1061683147 /nfs/dbraw/zinc/68/31/47/1061683147.db2.gz HXCPRYVHAPZEST-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CC(C)(NC(=O)c1cc2sccc2c([O-])c1)c1cccs1 ZINC001465185819 1061701909 /nfs/dbraw/zinc/70/19/09/1061701909.db2.gz JULIIZGZTXZBPH-UHFFFAOYSA-N -1 3 317.435 4.334 20 0 DIADHM O=C(N[C@@H]1CC=CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001465270674 1061723514 /nfs/dbraw/zinc/72/35/14/1061723514.db2.gz OXVMQJJJHADEPV-GOSISDBHSA-N -1 3 321.420 4.016 20 0 DIADHM CC(C)(C)c1ccc(-c2nnc(-c3c([O-])cccc3O)o2)cc1 ZINC001252802980 1061724337 /nfs/dbraw/zinc/72/43/37/1061724337.db2.gz HFIMNBGSGHQHRY-UHFFFAOYSA-N -1 3 310.353 4.112 20 0 DIADHM CCC(CC)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001465324854 1061732967 /nfs/dbraw/zinc/73/29/67/1061732967.db2.gz JLZPXRCYTXPOAO-GOSISDBHSA-N -1 3 313.397 4.005 20 0 DIADHM CC[C@H](CNc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001474229462 1061792915 /nfs/dbraw/zinc/79/29/15/1061792915.db2.gz VKLXBOQYAGLBQU-OAHLLOKOSA-N -1 3 307.397 4.184 20 0 DIADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001465949571 1061850331 /nfs/dbraw/zinc/85/03/31/1061850331.db2.gz PDRYMCRVYSYWLD-WFASDCNBSA-N -1 3 307.459 4.155 20 0 DIADHM CCC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCC1 ZINC001466065850 1061868128 /nfs/dbraw/zinc/86/81/28/1061868128.db2.gz CGYPQRUYIAFJRK-UHFFFAOYSA-N -1 3 303.427 4.307 20 0 DIADHM Cc1ccc(-c2cccc(CNC(=O)c3ccccc3[O-])c2)cc1 ZINC001466070821 1061869415 /nfs/dbraw/zinc/86/94/15/1061869415.db2.gz OKRHIBMMBHAXAD-UHFFFAOYSA-N -1 3 317.388 4.298 20 0 DIADHM Cc1c2ccccc2sc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC001458696991 1061877267 /nfs/dbraw/zinc/87/72/67/1061877267.db2.gz MSWLPFMTQZWHGJ-MRVPVSSYSA-N -1 3 319.323 4.287 20 0 DIADHM COc1cccc(-c2nnc(-c3ccc(C(C)(C)C)cc3[O-])o2)c1 ZINC001253356673 1061878421 /nfs/dbraw/zinc/87/84/21/1061878421.db2.gz QLJCFPUBYSMRSC-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM COc1ccc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1 ZINC001458771914 1061895902 /nfs/dbraw/zinc/89/59/02/1061895902.db2.gz RVPCVVKTXXUJKU-UHFFFAOYSA-N -1 3 324.405 4.150 20 0 DIADHM CC1(C)Cc2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2O1 ZINC001466257705 1061906138 /nfs/dbraw/zinc/90/61/38/1061906138.db2.gz JEYRCBQEXOWJRI-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM CCSc1ccccc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC001466261005 1061906502 /nfs/dbraw/zinc/90/65/02/1061906502.db2.gz AENAMQABYQJZGL-UHFFFAOYSA-N -1 3 321.829 4.339 20 0 DIADHM O=C(Cc1ccc(C2CCCCC2)cc1)[N-]OC1CCCC1 ZINC001466410088 1061937150 /nfs/dbraw/zinc/93/71/50/1061937150.db2.gz CPTJAWFKQJDUDV-UHFFFAOYSA-N -1 3 301.430 4.267 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c([O-])c1 ZINC001466500446 1061954148 /nfs/dbraw/zinc/95/41/48/1061954148.db2.gz PPQYAYFLNCZQRB-SFHVURJKSA-N -1 3 309.409 4.362 20 0 DIADHM CCCCC[C@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466542373 1061959436 /nfs/dbraw/zinc/95/94/36/1061959436.db2.gz RVPNKPUDRXIUQO-ZDUSSCGKSA-N -1 3 321.417 4.114 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])C1CCCCCC1 ZINC001466632710 1061977817 /nfs/dbraw/zinc/97/78/17/1061977817.db2.gz PBHZBMHZMQVHNL-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM C[C@@H]1C[C@@H](CC(=O)[N-]OCc2ccc(F)cc2)CC(C)(C)C1 ZINC001466782021 1062005824 /nfs/dbraw/zinc/00/58/24/1062005824.db2.gz QPOOUOOMDQFSJB-HIFRSBDPSA-N -1 3 307.409 4.226 20 0 DIADHM Fc1cccc(-c2nnc(-c3nc4cc(Cl)ccc4[n-]3)o2)c1 ZINC001254143824 1062033397 /nfs/dbraw/zinc/03/33/97/1062033397.db2.gz BSKQOMLSARSTBT-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM C[C@H](c1ccccc1)N(C)Cc1cccc([O-])c1Br ZINC001474410296 1062074187 /nfs/dbraw/zinc/07/41/87/1062074187.db2.gz PKIKFKOUYNCJJH-GFCCVEGCSA-N -1 3 320.230 4.348 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC001467626083 1062161969 /nfs/dbraw/zinc/16/19/69/1062161969.db2.gz NYFSOAQVKZIARA-SNVBAGLBSA-N -1 3 324.207 4.498 20 0 DIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccccc1C ZINC001254610716 1062200340 /nfs/dbraw/zinc/20/03/40/1062200340.db2.gz BBAKDYCSCRJNOI-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM CCc1ccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)c([O-])c1 ZINC001467859952 1062224004 /nfs/dbraw/zinc/22/40/04/1062224004.db2.gz LGVUQQCVWFOKSK-UHFFFAOYSA-N -1 3 313.397 4.141 20 0 DIADHM Cc1nc2c(cccc2NC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC001468006961 1062247848 /nfs/dbraw/zinc/24/78/48/1062247848.db2.gz BNSCQUDSKGRMPR-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM O=C(NCc1ccc(C2CCCCC2)cc1)c1ccccc1[O-] ZINC001468351342 1062305646 /nfs/dbraw/zinc/30/56/46/1062305646.db2.gz OEXINSUFJKAWHW-UHFFFAOYSA-N -1 3 309.409 4.370 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)cc1 ZINC001255089760 1062309776 /nfs/dbraw/zinc/30/97/76/1062309776.db2.gz FTUQDQSFIJQQSW-UHFFFAOYSA-N -1 3 315.438 4.236 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1 ZINC001255090117 1062311489 /nfs/dbraw/zinc/31/14/89/1062311489.db2.gz ORFYNGMCZHMZKV-UHFFFAOYSA-N -1 3 319.401 4.066 20 0 DIADHM Cc1ccccc1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001468425291 1062317200 /nfs/dbraw/zinc/31/72/00/1062317200.db2.gz MHLREMPTTRJTPZ-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC001468499191 1062332454 /nfs/dbraw/zinc/33/24/54/1062332454.db2.gz XWGAZPGMTRRFIE-ZDUSSCGKSA-N -1 3 319.445 4.059 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC001468498965 1062334627 /nfs/dbraw/zinc/33/46/27/1062334627.db2.gz WMBJVJQUFVCIJN-NWDGAFQWSA-N -1 3 317.351 4.293 20 0 DIADHM CC(C)[C@H](NCc1ccc([O-])c(F)c1F)c1ccccc1F ZINC001474619567 1062343010 /nfs/dbraw/zinc/34/30/10/1062343010.db2.gz YNGFBDDPUNTZCP-KRWDZBQOSA-N -1 3 309.331 4.296 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1[O-] ZINC001468602487 1062360677 /nfs/dbraw/zinc/36/06/77/1062360677.db2.gz ZYIZUFMJGDYIIK-JSGCOSHPSA-N -1 3 317.429 4.386 20 0 DIADHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]OC/C=C\Cl)(C2)C3 ZINC001468686329 1062380793 /nfs/dbraw/zinc/38/07/93/1062380793.db2.gz MNLWISMFRKPMIQ-PLNGDYQASA-N -1 3 311.853 4.173 20 0 DIADHM [O-]c1cccc(CN2CCO[C@H](c3ccccc3)CC2)c1Cl ZINC001474751994 1062463743 /nfs/dbraw/zinc/46/37/43/1062463743.db2.gz HYYLFOSCKLBEHV-KRWDZBQOSA-N -1 3 317.816 4.009 20 0 DIADHM O=S(=O)([N-]CCCCC1CCCC1)c1ccc(Cl)s1 ZINC001475023755 1062488381 /nfs/dbraw/zinc/48/83/81/1062488381.db2.gz VBSMPMLGGJSLOQ-UHFFFAOYSA-N -1 3 321.895 4.040 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC001469279499 1062517169 /nfs/dbraw/zinc/51/71/69/1062517169.db2.gz OAYWAVWZXPXYSZ-QGZVFWFLSA-N -1 3 309.409 4.314 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC2CCCC2)c1 ZINC001469660472 1062600297 /nfs/dbraw/zinc/60/02/97/1062600297.db2.gz GPFSPHWWENMAIK-MRXNPFEDSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1ccc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)c([O-])c1 ZINC001470491974 1062797435 /nfs/dbraw/zinc/79/74/35/1062797435.db2.gz RFZNWNSAWOFPAL-HXUWFJFHSA-N -1 3 309.409 4.010 20 0 DIADHM Cc1ccc(-c2nnc(-c3c([O-])cnc4ccccc43)o2)cc1C ZINC001256548024 1062869666 /nfs/dbraw/zinc/86/96/66/1062869666.db2.gz YVQWAQKYZTVAKI-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCOc1cccc(-c2nnc(CCC3CCCCC3)o2)c1[O-] ZINC001256854848 1063019179 /nfs/dbraw/zinc/01/91/79/1063019179.db2.gz WOBPMSVCCQTUTC-UHFFFAOYSA-N -1 3 316.401 4.354 20 0 DIADHM O=C(NC1(C2CC2)CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471808000 1063023386 /nfs/dbraw/zinc/02/33/86/1063023386.db2.gz UKBGCQFWAWWQJJ-UHFFFAOYSA-N -1 3 323.392 4.247 20 0 DIADHM [O-]c1ccc(-c2nnc(CC3CCCCC3)o2)c2cccnc12 ZINC001257008655 1063074931 /nfs/dbraw/zinc/07/49/31/1063074931.db2.gz QTSZHMGXQAJEOT-UHFFFAOYSA-N -1 3 309.369 4.113 20 0 DIADHM Cc1c([N-]c2nc3cccc(F)c3o2)cnn1C1CCCC1 ZINC001472771317 1063220395 /nfs/dbraw/zinc/22/03/95/1063220395.db2.gz VFZGDQWMEUTSIA-UHFFFAOYSA-N -1 3 300.337 4.331 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(F)cc2OC(C)C)c1[O-] ZINC001546254901 1063454664 /nfs/dbraw/zinc/45/46/64/1063454664.db2.gz VCNTYWVNCGAJBX-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM [O-]c1cccc(CNCc2csc(C(F)(F)F)c2)c1Cl ZINC001461677648 1063652927 /nfs/dbraw/zinc/65/29/27/1063652927.db2.gz TZFGCVWGMYNTEX-UHFFFAOYSA-N -1 3 321.751 4.416 20 0 DIADHM COc1ccc2cc([O-])c(-c3nnc(CC4CCCC4)o3)cc2c1 ZINC001258618513 1063713732 /nfs/dbraw/zinc/71/37/32/1063713732.db2.gz VPQMVDJTXIQJCE-UHFFFAOYSA-N -1 3 324.380 4.337 20 0 DIADHM CC(C)[C@@H](c1ccccc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001461855832 1063752470 /nfs/dbraw/zinc/75/24/70/1063752470.db2.gz XHHQYBCKZPNHIR-SFHVURJKSA-N -1 3 305.368 4.500 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(C)c1 ZINC001259103728 1063883377 /nfs/dbraw/zinc/88/33/77/1063883377.db2.gz SVSZHBNJRWCJPX-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C ZINC001259168202 1063884655 /nfs/dbraw/zinc/88/46/55/1063884655.db2.gz VCIBLBUBYFIDHB-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259484710 1063889884 /nfs/dbraw/zinc/88/98/84/1063889884.db2.gz YBIFFDVGLDIIPQ-LBPRGKRZSA-N -1 3 321.417 4.448 20 0 DIADHM C=Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC001260981860 1063905859 /nfs/dbraw/zinc/90/58/59/1063905859.db2.gz HERQHTWHNHDHOO-UHFFFAOYSA-N -1 3 313.422 4.009 20 0 DIADHM Cc1ccc2snc(C(=O)[N-]c3c(F)cc(F)cc3F)c2c1 ZINC001265601643 1064250370 /nfs/dbraw/zinc/25/03/70/1064250370.db2.gz BRROAUKCTWNKOH-UHFFFAOYSA-N -1 3 322.311 4.274 20 0 DIADHM CCc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1[O-] ZINC001290072179 1064678013 /nfs/dbraw/zinc/67/80/13/1064678013.db2.gz DINRBVQLFXIWFV-UHFFFAOYSA-N -1 3 324.424 4.197 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c([O-])c1C ZINC001290334994 1064690136 /nfs/dbraw/zinc/69/01/36/1064690136.db2.gz XNFJHMZMQKUKMU-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)(C)CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001290781551 1064712891 /nfs/dbraw/zinc/71/28/91/1064712891.db2.gz DXRWJCAEDOGWBH-UHFFFAOYSA-N -1 3 311.425 4.149 20 0 DIADHM Cc1csc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC001291730503 1064742963 /nfs/dbraw/zinc/74/29/63/1064742963.db2.gz SBHHPHDKOSSOBZ-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCCCOc1ccccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001291981639 1064752987 /nfs/dbraw/zinc/75/29/87/1064752987.db2.gz XYOHGAIBZSYGHF-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001292480790 1064776425 /nfs/dbraw/zinc/77/64/25/1064776425.db2.gz DRWDWYISLYKVMM-LSDHHAIUSA-N -1 3 303.446 4.283 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1[O-] ZINC001293420197 1064813779 /nfs/dbraw/zinc/81/37/79/1064813779.db2.gz GTVDXOQJTJNCTA-UHFFFAOYSA-N -1 3 324.424 4.189 20 0 DIADHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc2sccc2c([O-])c1 ZINC001294139391 1064848354 /nfs/dbraw/zinc/84/83/54/1064848354.db2.gz NQJXXGYSZWGMBY-CABCVRRESA-N -1 3 315.438 4.306 20 0 DIADHM CC[C@@H](C)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001295409877 1064911345 /nfs/dbraw/zinc/91/13/45/1064911345.db2.gz ARQHPXLWDGMBGV-LLVKDONJSA-N -1 3 303.324 4.080 20 0 DIADHM CCn1ncc([N-]c2nc3cc(Cl)cc(Cl)c3o2)c1C ZINC001307200451 1064930514 /nfs/dbraw/zinc/93/05/14/1064930514.db2.gz MZDUUJWGHQHILC-UHFFFAOYSA-N -1 3 311.172 4.403 20 0 DIADHM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1[O-] ZINC001296932193 1064963791 /nfs/dbraw/zinc/96/37/91/1064963791.db2.gz IUXNXVVVKIOURZ-UHFFFAOYSA-N -1 3 322.191 4.118 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001297232849 1064975155 /nfs/dbraw/zinc/97/51/55/1064975155.db2.gz PCXZHCDRVMECEC-ZFWWWQNUSA-N -1 3 303.446 4.283 20 0 DIADHM CCCC1CCC(N(C)C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC001297421964 1064978731 /nfs/dbraw/zinc/97/87/31/1064978731.db2.gz JTRHYKGZRDVFOT-UHFFFAOYSA-N -1 3 317.429 4.026 20 0 DIADHM CC1(C)CC[C@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001297583751 1064985145 /nfs/dbraw/zinc/98/51/45/1064985145.db2.gz DLBIQJYDCRZDLH-LJQANCHMSA-N -1 3 323.436 4.096 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC001297813058 1064991360 /nfs/dbraw/zinc/99/13/60/1064991360.db2.gz UBNAIKFBTVECPP-SJLPKXTDSA-N -1 3 303.446 4.268 20 0 DIADHM C[C@H]1C[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(C)(C)C1 ZINC001298307226 1065001790 /nfs/dbraw/zinc/00/17/90/1065001790.db2.gz YOTTZXMPQRPUEZ-RYUDHWBXSA-N -1 3 315.417 4.060 20 0 DIADHM CC(C)(CCNC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001298449416 1065005786 /nfs/dbraw/zinc/00/57/86/1065005786.db2.gz CVQRNIXYUJITFK-UHFFFAOYSA-N -1 3 303.427 4.163 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C1/CC[C@H](C)C1 ZINC001298513982 1065007181 /nfs/dbraw/zinc/00/71/81/1065007181.db2.gz QDZQNMRQMJTVIS-ANHFWZFOSA-N -1 3 324.218 4.148 20 0 DIADHM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC001301082022 1065052304 /nfs/dbraw/zinc/05/23/04/1065052304.db2.gz VZNQXOVPYHUJOO-AWEZNQCLSA-N -1 3 307.434 4.166 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c([O-])c1 ZINC001301128423 1065053510 /nfs/dbraw/zinc/05/35/10/1065053510.db2.gz MFDHMIYNNWRVPJ-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C)c(N3CCCC3)c2)c1[O-] ZINC001303364783 1065115146 /nfs/dbraw/zinc/11/51/46/1065115146.db2.gz DJAGQDIRSXLEGC-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2Oc2ccccn2)c1[O-] ZINC001304256449 1065135473 /nfs/dbraw/zinc/13/54/73/1065135473.db2.gz QCWXSJVZZBRNLG-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001306825434 1065194141 /nfs/dbraw/zinc/19/41/41/1065194141.db2.gz AVMTWFNAMPRBPJ-HNNXBMFYSA-N -1 3 319.445 4.079 20 0 DIADHM [O-]c1ccc(CN(CCc2cccc(F)c2)C2CC2)c(F)c1F ZINC001308574595 1066088099 /nfs/dbraw/zinc/08/80/99/1066088099.db2.gz QZFLCVGVMQHZBC-UHFFFAOYSA-N -1 3 321.342 4.017 20 0 DIADHM CCOc1cc(CN2CCc3ccc(C)cc32)cc(Cl)c1[O-] ZINC001308675551 1066149590 /nfs/dbraw/zinc/14/95/90/1066149590.db2.gz IVHKFQXXSUKAPJ-UHFFFAOYSA-N -1 3 317.816 4.315 20 0 DIADHM CCOc1cc(CN2CCc3cccc(C)c32)cc(Cl)c1[O-] ZINC001308677687 1066151741 /nfs/dbraw/zinc/15/17/41/1066151741.db2.gz QCAJYIPYQRWWMG-UHFFFAOYSA-N -1 3 317.816 4.315 20 0 DIADHM CC(C)[C@@H]1N(Cc2cccc([O-])c2Br)CC12CCC2 ZINC001308789857 1066263452 /nfs/dbraw/zinc/26/34/52/1066263452.db2.gz BMVLYDMAGTVBEB-HNNXBMFYSA-N -1 3 324.262 4.165 20 0 DIADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001309037554 1066440710 /nfs/dbraw/zinc/44/07/10/1066440710.db2.gz ZEEZKAZRYMQYCV-NSHDSACASA-N -1 3 321.845 4.116 20 0 DIADHM O=C([O-])C[C@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000417538964 334958754 /nfs/dbraw/zinc/95/87/54/334958754.db2.gz UZLYHNPFIMDIOG-KRWDZBQOSA-N -1 3 315.438 4.321 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C ZINC000006316082 181328930 /nfs/dbraw/zinc/32/89/30/181328930.db2.gz ADNJVCYDTICHGB-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000006316777 181329046 /nfs/dbraw/zinc/32/90/46/181329046.db2.gz VXMXURXBVXHXDO-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM C[C@]1(C(=O)[O-])CCCC[C@@H]1NCc1cc(Cl)sc1Cl ZINC000417578689 334995887 /nfs/dbraw/zinc/99/58/87/334995887.db2.gz NVORBPAITMAVLL-ZANVPECISA-N -1 3 322.257 4.178 20 0 DIADHM O=C([O-])CC[C@@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417598989 335002667 /nfs/dbraw/zinc/00/26/67/335002667.db2.gz GVLSEQFARBXIKP-CQSZACIVSA-N -1 3 309.818 4.097 20 0 DIADHM CSc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417600192 335002904 /nfs/dbraw/zinc/00/29/04/335002904.db2.gz JEKLOQINSFBVLK-AWEZNQCLSA-N -1 3 321.467 4.166 20 0 DIADHM O=C([O-])CC[C@@H](NCc1ccc(Cl)s1)c1ccccc1 ZINC000417603572 335003661 /nfs/dbraw/zinc/00/36/61/335003661.db2.gz RYFYXPZULZXUME-CYBMUJFWSA-N -1 3 309.818 4.097 20 0 DIADHM CCCc1cccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618945 335013022 /nfs/dbraw/zinc/01/30/22/335013022.db2.gz DSMMGIDIHKDYRR-RTBURBONSA-N -1 3 309.409 4.042 20 0 DIADHM Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)c([O-])c1 ZINC000015922886 182024266 /nfs/dbraw/zinc/02/42/66/182024266.db2.gz PESMFBXRTRMVNT-UHFFFAOYSA-N -1 3 321.829 4.226 20 0 DIADHM CCC[C@@H](CCCCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417640790 335025872 /nfs/dbraw/zinc/02/58/72/335025872.db2.gz NAKRETSCYQHHLG-LBPRGKRZSA-N -1 3 315.816 4.240 20 0 DIADHM Cc1ocnc1C(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000104484385 194009607 /nfs/dbraw/zinc/00/96/07/194009607.db2.gz HOMHKSCQBKKEJW-UHFFFAOYSA-N -1 3 310.806 4.389 20 0 DIADHM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000088718999 257137418 /nfs/dbraw/zinc/13/74/18/257137418.db2.gz UTLTWXAQWPHBQT-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cn1 ZINC000274403961 130232824 /nfs/dbraw/zinc/23/28/24/130232824.db2.gz SWBAVHZMSYXKOG-ZDUSSCGKSA-N -1 3 310.397 4.065 20 0 DIADHM CCOc1cc(CN[C@@H](C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000298184003 132049635 /nfs/dbraw/zinc/04/96/35/132049635.db2.gz VYPNTLBREKDHOV-NSHDSACASA-N -1 3 321.804 4.001 20 0 DIADHM CC[C@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccccc1 ZINC000299433376 132105725 /nfs/dbraw/zinc/10/57/25/132105725.db2.gz VOIHKKRNJJHEOR-KRWDZBQOSA-N -1 3 323.392 4.048 20 0 DIADHM O=C([O-])C[C@@H](NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000340672468 132140601 /nfs/dbraw/zinc/14/06/01/132140601.db2.gz BVFLHLOPAZMBGS-OAHLLOKOSA-N -1 3 323.314 4.011 20 0 DIADHM CCc1nc([C@@H](C)[N-]c2nc(-c3ccc(F)cc3)no2)cs1 ZINC000623962412 435381192 /nfs/dbraw/zinc/38/11/92/435381192.db2.gz GFOBPUKXRNQHKN-SECBINFHSA-N -1 3 318.377 4.068 20 0 DIADHM CCCn1c2ccccc2nc1NCc1c(F)ccc([O-])c1F ZINC000519593301 435691274 /nfs/dbraw/zinc/69/12/74/435691274.db2.gz QBRMSIMPVBZSPM-UHFFFAOYSA-N -1 3 317.339 4.042 20 0 DIADHM CC1(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)CCCCCC1 ZINC000570695063 332802060 /nfs/dbraw/zinc/80/20/60/332802060.db2.gz LKVCNFZESUHNGW-UHFFFAOYSA-N -1 3 316.445 4.107 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1[O-] ZINC000174441340 332855511 /nfs/dbraw/zinc/85/55/11/332855511.db2.gz XXHWLNSOPYLHIS-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM [O-]c1cccnc1CN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000574948817 332858825 /nfs/dbraw/zinc/85/88/25/332858825.db2.gz STPGTCHLNJGKMQ-INIZCTEOSA-N -1 3 323.223 4.335 20 0 DIADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccccc1-c1ccccc1 ZINC000179398326 331523407 /nfs/dbraw/zinc/52/34/07/331523407.db2.gz FBGLOSHCJWNKLB-ZHACJKMWSA-N -1 3 316.360 4.106 20 0 DIADHM CCN(c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1)C(C)C ZINC000530658108 331616065 /nfs/dbraw/zinc/61/60/65/331616065.db2.gz QZRQOCYAWHSGEL-UHFFFAOYSA-N -1 3 316.376 4.018 20 0 DIADHM O=C(Cc1c(F)cccc1Cl)Nc1c([O-])cccc1Cl ZINC000552783345 331621041 /nfs/dbraw/zinc/62/10/41/331621041.db2.gz QBMHWYFOBPKDRQ-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCOc1cc(-c2noc(C(F)=C3CCCC3)n2)ccc1[O-] ZINC000556320170 331664460 /nfs/dbraw/zinc/66/44/60/331664460.db2.gz CXQCIZMVKVYEEI-UHFFFAOYSA-N -1 3 304.321 4.096 20 0 DIADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])C1(CF)CCC1 ZINC000565546431 331721425 /nfs/dbraw/zinc/72/14/25/331721425.db2.gz XGOXUGKLZCGBBD-UHFFFAOYSA-N -1 3 313.372 4.061 20 0 DIADHM Cc1oc([C@H](C)N2CCC(CCC(C)C)CC2)cc1C(=O)[O-] ZINC000580085753 332932941 /nfs/dbraw/zinc/93/29/41/332932941.db2.gz RQASMRVZQAYFOQ-ZDUSSCGKSA-N -1 3 307.434 4.495 20 0 DIADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)s1 ZINC000518387069 332023911 /nfs/dbraw/zinc/02/39/11/332023911.db2.gz WZEJYOCUZDWXRN-AWEZNQCLSA-N -1 3 323.845 4.092 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000518414331 332029328 /nfs/dbraw/zinc/02/93/28/332029328.db2.gz HEULAZXWMRCYSI-ZJUUUORDSA-N -1 3 323.726 4.066 20 0 DIADHM COc1cc(C)cc(C(=O)Nc2c(C)cccc2C(C)C)c1[O-] ZINC000092225969 332118614 /nfs/dbraw/zinc/11/86/14/332118614.db2.gz LPYBBQWIIAQVFF-UHFFFAOYSA-N -1 3 313.397 4.393 20 0 DIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000426808828 332152093 /nfs/dbraw/zinc/15/20/93/332152093.db2.gz OHIYTTWOMSFCCN-KRWDZBQOSA-N -1 3 317.454 4.486 20 0 DIADHM O=C([O-])C[C@@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000426791650 332153873 /nfs/dbraw/zinc/15/38/73/332153873.db2.gz JIEWYHCVKOVEQU-OAHLLOKOSA-N -1 3 324.207 4.299 20 0 DIADHM Cc1ccccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426828074 332155942 /nfs/dbraw/zinc/15/59/42/332155942.db2.gz XZTHGTQDHAMRFT-IBGZPJMESA-N -1 3 311.425 4.424 20 0 DIADHM CCC[C@H](C)C[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426823565 332157917 /nfs/dbraw/zinc/15/79/17/332157917.db2.gz JKEUYUZFYLCTCD-FZMZJTMJSA-N -1 3 323.820 4.455 20 0 DIADHM CCC(C)(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000536462824 332249724 /nfs/dbraw/zinc/24/97/24/332249724.db2.gz GVYPKIVSTSQMHS-UHFFFAOYSA-N -1 3 301.361 4.471 20 0 DIADHM C[C@@H]1CC(C)(C)CN1[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566360440 332378246 /nfs/dbraw/zinc/37/82/46/332378246.db2.gz ZKXKLYPTJDHAKN-RNCFNFMXSA-N -1 3 316.228 4.240 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000566367294 332382222 /nfs/dbraw/zinc/38/22/22/332382222.db2.gz OVLRDXFTUJFYCQ-FCHSOHFDSA-N -1 3 316.228 4.097 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(F)c(Cl)c1 ZINC000560820521 332388631 /nfs/dbraw/zinc/38/86/31/332388631.db2.gz VUXFQVSBFGXAOD-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000448819709 332515222 /nfs/dbraw/zinc/51/52/22/332515222.db2.gz XOMBKTZDUPIBAE-OAHLLOKOSA-N -1 3 311.425 4.127 20 0 DIADHM CCc1cccc(C(=O)N(C)C/C(C)=C/c2ccccc2)c1[O-] ZINC000562372501 332586432 /nfs/dbraw/zinc/58/64/32/332586432.db2.gz BHAPDRMJIZXPCH-FYWRMAATSA-N -1 3 309.409 4.130 20 0 DIADHM Cc1oc([C@H](C)N2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000565103862 332593211 /nfs/dbraw/zinc/59/32/11/332593211.db2.gz BUHYPSIXYHBLBL-NSHDSACASA-N -1 3 319.426 4.288 20 0 DIADHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)cc1[O-] ZINC000531136174 332643657 /nfs/dbraw/zinc/64/36/57/332643657.db2.gz DLQMIGRARKIASP-OAHLLOKOSA-N -1 3 319.788 4.150 20 0 DIADHM Cc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccc1O ZINC000562939704 332648711 /nfs/dbraw/zinc/64/87/11/332648711.db2.gz WXJHUHPCIQIYLH-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1SCCc2ccccc21 ZINC000580261484 333044828 /nfs/dbraw/zinc/04/48/28/333044828.db2.gz JLRUWXOKLJDZTB-HNNXBMFYSA-N -1 3 319.813 4.015 20 0 DIADHM Cc1cccc([O-])c1NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000497157614 333181962 /nfs/dbraw/zinc/18/19/62/333181962.db2.gz OVTIXBFPLBDWCU-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccc1[O-] ZINC000499841522 333315935 /nfs/dbraw/zinc/31/59/35/333315935.db2.gz PURWIZAZYVWROF-GOSISDBHSA-N -1 3 313.372 4.111 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(Br)cc1 ZINC000184141400 333342531 /nfs/dbraw/zinc/34/25/31/333342531.db2.gz HEILFABSNOCWHG-JTQLQIEISA-N -1 3 324.193 4.145 20 0 DIADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])oc2c1c(C)ccc2C ZINC000531373777 333347183 /nfs/dbraw/zinc/34/71/83/333347183.db2.gz ODZLIEMNUAOKGI-UHFFFAOYSA-N -1 3 313.328 4.455 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c(F)cc1F ZINC000531373065 333347219 /nfs/dbraw/zinc/34/72/19/333347219.db2.gz GLDFWXASMINZQE-UHFFFAOYSA-N -1 3 311.715 4.193 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c(F)c1 ZINC000188477874 333367524 /nfs/dbraw/zinc/36/75/24/333367524.db2.gz RRVSYBFKTRZFRT-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM Cc1ccc(F)c(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188478314 333368124 /nfs/dbraw/zinc/36/81/24/333368124.db2.gz WZRZVZJHCASMGG-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C([O-])c1ccccc1CCNCc1cc(Cl)ccc1Cl ZINC000228492836 333387212 /nfs/dbraw/zinc/38/72/12/333387212.db2.gz UQWDILHNOVJUKW-UHFFFAOYSA-N -1 3 324.207 4.024 20 0 DIADHM O=C(c1cccc(Cl)c1Cl)N1CCCc2cccc([O-])c21 ZINC000063063789 333389952 /nfs/dbraw/zinc/38/99/52/333389952.db2.gz NFNHIULFCAXDDW-UHFFFAOYSA-N -1 3 322.191 4.292 20 0 DIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000516657209 333393736 /nfs/dbraw/zinc/39/37/36/333393736.db2.gz WGLLDINMRNQBST-KUHUBIRLSA-N -1 3 313.397 4.093 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000426640096 333510725 /nfs/dbraw/zinc/51/07/25/333510725.db2.gz ZUCNOLLPUQTUNW-NSHDSACASA-N -1 3 309.793 4.209 20 0 DIADHM O=C(CCc1cc(Cl)cc(Cl)c1)Nc1ccccc1[O-] ZINC000531750072 333553027 /nfs/dbraw/zinc/55/30/27/333553027.db2.gz LHTRMJDCRBIZAN-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM O=C(C/C=C/c1ccccc1F)Nc1cc(Cl)ccc1[O-] ZINC000533993301 333554281 /nfs/dbraw/zinc/55/42/81/333554281.db2.gz UDGATVFCGZPMOD-HWKANZROSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1nc2ccc(-c3nc4ccc(F)cc4c(=O)[n-]3)cc2s1 ZINC000534264801 333569265 /nfs/dbraw/zinc/56/92/65/333569265.db2.gz QRNJSYFBAFNMDF-UHFFFAOYSA-N -1 3 311.341 4.060 20 0 DIADHM COc1cc(-c2noc(-c3sccc3C3CC3)n2)ccc1[O-] ZINC000571337736 333757947 /nfs/dbraw/zinc/75/79/47/333757947.db2.gz SEWJUMZDMDTBHC-UHFFFAOYSA-N -1 3 314.366 4.057 20 0 DIADHM CC[C@@]1(C)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571648704 334016844 /nfs/dbraw/zinc/01/68/44/334016844.db2.gz CCTXZNSXWOCCTF-HIFRSBDPSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@H]1C[C@]1(NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000414634372 334048731 /nfs/dbraw/zinc/04/87/31/334048731.db2.gz BQKOGPATEWAAAI-KPZWWZAWSA-N -1 3 315.800 4.063 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000414646156 334053390 /nfs/dbraw/zinc/05/33/90/334053390.db2.gz ARDYKZPSZXDZOB-SECBINFHSA-N -1 3 324.273 4.424 20 0 DIADHM CCc1ccc(CC(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000439396363 334175588 /nfs/dbraw/zinc/17/55/88/334175588.db2.gz JWQJTEITVPFEBU-UHFFFAOYSA-N -1 3 303.789 4.098 20 0 DIADHM Cc1nc(C2CC2)ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000295139846 334219502 /nfs/dbraw/zinc/21/95/02/334219502.db2.gz DQRDWOVPLLZXDH-GFCCVEGCSA-N -1 3 322.408 4.127 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2nc3ccccc3s2)on1 ZINC000303841251 334334643 /nfs/dbraw/zinc/33/46/43/334334643.db2.gz ILNKRCYZBCXUNS-UHFFFAOYSA-N -1 3 315.398 4.440 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000111546542 334338590 /nfs/dbraw/zinc/33/85/90/334338590.db2.gz KUULZJGPRABIBF-OLZOCXBDSA-N -1 3 321.298 4.153 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1c(C)onc1C1CC1 ZINC000415887114 334630690 /nfs/dbraw/zinc/63/06/90/334630690.db2.gz WTFKOFICFQKEQJ-UHFFFAOYSA-N -1 3 302.399 4.143 20 0 DIADHM CC(C)(C)Nc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000343799496 335193744 /nfs/dbraw/zinc/19/37/44/335193744.db2.gz SZERFAACAVCFDG-UHFFFAOYSA-N -1 3 324.384 4.132 20 0 DIADHM CC(C)(C)Nc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000343799496 335193746 /nfs/dbraw/zinc/19/37/46/335193746.db2.gz SZERFAACAVCFDG-UHFFFAOYSA-N -1 3 324.384 4.132 20 0 DIADHM Cc1ccccc1NCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345125310 335303423 /nfs/dbraw/zinc/30/34/23/335303423.db2.gz HHTKHBOQEFXVMD-CQSZACIVSA-N -1 3 324.424 4.043 20 0 DIADHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)c(C)s2)on1 ZINC000349169716 335639506 /nfs/dbraw/zinc/63/95/06/335639506.db2.gz DAFQQZOPLWOXEG-UHFFFAOYSA-N -1 3 319.411 4.037 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000520397849 335973278 /nfs/dbraw/zinc/97/32/78/335973278.db2.gz TWMBHHWBZQNPER-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM CCC[C@H](C)[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468792328 336030088 /nfs/dbraw/zinc/03/00/88/336030088.db2.gz CFBLZWSPNBSROO-YOEHRIQHSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cn2)c2c([O-])cccc21 ZINC000332232764 336164104 /nfs/dbraw/zinc/16/41/04/336164104.db2.gz QXIXECQPTAXFMA-CYBMUJFWSA-N -1 3 324.424 4.239 20 0 DIADHM Cc1cc(NC(=O)c2cccc([O-])c2)ccc1Oc1ccncc1 ZINC000192588815 336164918 /nfs/dbraw/zinc/16/49/18/336164918.db2.gz NBOFEVXGXOCCMF-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCCN(C(=O)c1cc(C)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000332285537 336166607 /nfs/dbraw/zinc/16/66/07/336166607.db2.gz BUTDEHUNGIDRJM-KRWDZBQOSA-N -1 3 324.424 4.025 20 0 DIADHM Cc1csc([C@H]2CCCCN2Cc2cc([O-])cc(F)c2)n1 ZINC000352001443 336187474 /nfs/dbraw/zinc/18/74/74/336187474.db2.gz GBIOTCLVZGVVLV-OAHLLOKOSA-N -1 3 306.406 4.023 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)c(Cl)c1 ZINC000532618637 336257049 /nfs/dbraw/zinc/25/70/49/336257049.db2.gz FERFXKBEHVMQKT-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CCCCS[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000468841587 336257863 /nfs/dbraw/zinc/25/78/63/336257863.db2.gz DXFKIIZAJXKTNQ-STQMWFEESA-N -1 3 307.459 4.154 20 0 DIADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532700300 336267043 /nfs/dbraw/zinc/26/70/43/336267043.db2.gz AFZNKNPZHUOWIJ-GHMZBOCLSA-N -1 3 307.802 4.158 20 0 DIADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532700302 336267115 /nfs/dbraw/zinc/26/71/15/336267115.db2.gz AFZNKNPZHUOWIJ-QWRGUYRKSA-N -1 3 307.802 4.158 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(Cc2ccccc2)CC1 ZINC000532840224 336272643 /nfs/dbraw/zinc/27/26/43/336272643.db2.gz OYXQBEQQMYGETA-UHFFFAOYSA-N -1 3 301.773 4.007 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccc(Cl)c2)CC1 ZINC000532839523 336272740 /nfs/dbraw/zinc/27/27/40/336272740.db2.gz KDWHTACQACDWKJ-UHFFFAOYSA-N -1 3 322.191 4.369 20 0 DIADHM CC(C)COC[C@H]([N-]c1nc2ccccc2o1)c1ccco1 ZINC000301137268 336291772 /nfs/dbraw/zinc/29/17/72/336291772.db2.gz BUOJQEFKRSCVKV-AWEZNQCLSA-N -1 3 300.358 4.247 20 0 DIADHM Cc1noc(C)c1[C@@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301299769 336299601 /nfs/dbraw/zinc/29/96/01/336299601.db2.gz UJAQVXQFNHTPFV-MRVPVSSYSA-N -1 3 318.764 4.168 20 0 DIADHM [O-]c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC000301365484 336302694 /nfs/dbraw/zinc/30/26/94/336302694.db2.gz NRGLDSZLNLUDKY-UHFFFAOYSA-N -1 3 320.673 4.211 20 0 DIADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3ccco3)n2)c1 ZINC000301541149 336313416 /nfs/dbraw/zinc/31/34/16/336313416.db2.gz OBNZJLCNTFBNAC-UHFFFAOYSA-N -1 3 310.140 4.249 20 0 DIADHM CC(C)c1noc([N-][C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000302023332 336343851 /nfs/dbraw/zinc/34/38/51/336343851.db2.gz OXZPKEUFRYZCJK-LBPRGKRZSA-N -1 3 307.781 4.172 20 0 DIADHM Cc1nc(C)c(C[N-]c2nc(-c3cccc(Cl)c3)no2)s1 ZINC000302674228 336364411 /nfs/dbraw/zinc/36/44/11/336364411.db2.gz PCYQWKUVOVYASV-UHFFFAOYSA-N -1 3 320.805 4.075 20 0 DIADHM C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc([O-])c2Cl)C1 ZINC000352897458 336373897 /nfs/dbraw/zinc/37/38/97/336373897.db2.gz NALUBHWGWXDXCE-WFASDCNBSA-N -1 3 302.805 4.024 20 0 DIADHM O=C(Nc1cccc(C2CC2)n1)c1cc([O-])c2ccccc2c1 ZINC000353688188 336434866 /nfs/dbraw/zinc/43/48/66/336434866.db2.gz KMQBJUITERZTDK-UHFFFAOYSA-N -1 3 304.349 4.070 20 0 DIADHM C[C@@H]1CCN(C(=O)C[C@@H]2C[C@@H]2c2ccccc2)c2c([O-])cccc21 ZINC000354769385 336481620 /nfs/dbraw/zinc/48/16/20/336481620.db2.gz LKWMSCYKGDGWQB-UWWQBHOKSA-N -1 3 321.420 4.426 20 0 DIADHM Cc1ccc2cccc(C(=O)Nc3cc(Cl)ccc3[O-])c2n1 ZINC000355823280 336523622 /nfs/dbraw/zinc/52/36/22/336523622.db2.gz KGTIMDSMKCFCDW-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM COc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000582519442 337100171 /nfs/dbraw/zinc/10/01/71/337100171.db2.gz METZRQAUCYTKBI-UHFFFAOYSA-N -1 3 306.774 4.144 20 0 DIADHM Cc1cccc(O)c1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000486957396 337138370 /nfs/dbraw/zinc/13/83/70/337138370.db2.gz PWKWLMDDZUVCFE-UHFFFAOYSA-N -1 3 306.774 4.149 20 0 DIADHM CO[C@@H](C)c1nc(C)c(C(=O)[N-]c2ccccc2SC)s1 ZINC000175243333 337146442 /nfs/dbraw/zinc/14/64/42/337146442.db2.gz DSKICVPBFBFKDU-JTQLQIEISA-N -1 3 322.455 4.133 20 0 DIADHM Cc1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)sn1 ZINC000176837901 337153425 /nfs/dbraw/zinc/15/34/25/337153425.db2.gz DJXHNAQWZHHLSX-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM Cc1ccc(-c2nnc([N-]Cc3ncc(C(C)C)s3)o2)s1 ZINC000185906836 337251459 /nfs/dbraw/zinc/25/14/59/337251459.db2.gz GLORFGHHBDPTLZ-UHFFFAOYSA-N -1 3 320.443 4.299 20 0 DIADHM O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc([O-])c1 ZINC000321571001 337277547 /nfs/dbraw/zinc/27/75/47/337277547.db2.gz NUOWTXLNCUFOEG-UHFFFAOYSA-N -1 3 305.333 4.437 20 0 DIADHM CS[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000525930712 337280194 /nfs/dbraw/zinc/28/01/94/337280194.db2.gz MKRQPIIDWVIOGY-INIZCTEOSA-N -1 3 317.454 4.053 20 0 DIADHM C[C@@H]1CCCCN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000037336433 337364756 /nfs/dbraw/zinc/36/47/56/337364756.db2.gz XSVAWFZQUGAXOE-SNVBAGLBSA-N -1 3 307.390 4.113 20 0 DIADHM CCCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263433175 337628935 /nfs/dbraw/zinc/62/89/35/337628935.db2.gz SUMPVAXXVNMOOF-AWEZNQCLSA-N -1 3 313.397 4.024 20 0 DIADHM Cc1ccc(-c2ccc(CNC[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000263494697 337630582 /nfs/dbraw/zinc/63/05/82/337630582.db2.gz QFXOSGNZPSMZIA-INIZCTEOSA-N -1 3 315.413 4.092 20 0 DIADHM CCOc1cc(-c2noc(-c3cc(C)ccc3C)n2)ccc1[O-] ZINC000445428311 337728558 /nfs/dbraw/zinc/72/85/58/337728558.db2.gz UBXASVWRXXNWRF-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM CCOc1cc(-c2noc(Cc3cc(C)ccc3C)n2)ccc1[O-] ZINC000445429852 337730031 /nfs/dbraw/zinc/73/00/31/337730031.db2.gz GKVRTDYEMQPEMD-UHFFFAOYSA-N -1 3 324.380 4.049 20 0 DIADHM CCOc1cc(-c2noc([C@@H](C)c3cccs3)n2)ccc1[O-] ZINC000445429837 337730391 /nfs/dbraw/zinc/73/03/91/337730391.db2.gz GIEFGCOZOXDWLT-JTQLQIEISA-N -1 3 316.382 4.054 20 0 DIADHM CCSc1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1 ZINC000446143015 338521760 /nfs/dbraw/zinc/52/17/60/338521760.db2.gz BCYCNTLINBGAPM-UHFFFAOYSA-N -1 3 316.813 4.356 20 0 DIADHM CC(C)c1ccccc1OCCC(=O)Nc1ccc([O-])cc1F ZINC000119546840 337862789 /nfs/dbraw/zinc/86/27/89/337862789.db2.gz AUBDQLAAANWMQH-UHFFFAOYSA-N -1 3 317.360 4.062 20 0 DIADHM CCC[C@@H](CCCCNCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC000424624875 337926241 /nfs/dbraw/zinc/92/62/41/337926241.db2.gz SEKYVILZVHCRHZ-ZDUSSCGKSA-N -1 3 313.388 4.034 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC000537644545 337955095 /nfs/dbraw/zinc/95/50/95/337955095.db2.gz NJGYXQURWYXZTQ-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM Cc1ccccc1[C@@H](C)NCc1cccc([O-])c1Br ZINC000315076319 337980438 /nfs/dbraw/zinc/98/04/38/337980438.db2.gz XVMGHVXGKFXWCC-GFCCVEGCSA-N -1 3 320.230 4.314 20 0 DIADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000426206546 338022841 /nfs/dbraw/zinc/02/28/41/338022841.db2.gz QHLMPQHCFXGHET-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM CC(C)(C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000426206508 338022847 /nfs/dbraw/zinc/02/28/47/338022847.db2.gz QADMMPSLESWSDT-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000426543174 338034502 /nfs/dbraw/zinc/03/45/02/338034502.db2.gz WZXXUAFPZVTIAM-KRWDZBQOSA-N -1 3 323.795 4.004 20 0 DIADHM CCc1cccc(Cl)c1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000426684646 338038155 /nfs/dbraw/zinc/03/81/55/338038155.db2.gz ALYCXRVQOGFKPV-QWHCGFSZSA-N -1 3 311.853 4.272 20 0 DIADHM CC(C)Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426693437 338038400 /nfs/dbraw/zinc/03/84/00/338038400.db2.gz ZYLYBPAZIVOHHO-QGZVFWFLSA-N -1 3 317.454 4.252 20 0 DIADHM Cc1cccc([C@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])c1C ZINC000426742407 338040227 /nfs/dbraw/zinc/04/02/27/338040227.db2.gz JMHDLQUSIDNNAQ-KRWDZBQOSA-N -1 3 317.816 4.181 20 0 DIADHM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426756134 338040943 /nfs/dbraw/zinc/04/09/43/338040943.db2.gz IEZVMOPCIHIINB-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cc(C)cc([C@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000426760070 338041123 /nfs/dbraw/zinc/04/11/23/338041123.db2.gz YSKMSTNRKFJURO-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM CC(C)(C)CC[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426759248 338041148 /nfs/dbraw/zinc/04/11/48/338041148.db2.gz LPAZJQSOPVLIAJ-ZDUSSCGKSA-N -1 3 323.820 4.455 20 0 DIADHM O=C([O-])[C@H](NC[C@@H]1CC=CCC1)c1c(Cl)cccc1Cl ZINC000426763992 338041373 /nfs/dbraw/zinc/04/13/73/338041373.db2.gz VCGCSEQLJINYIL-QMTHXVAHSA-N -1 3 314.212 4.065 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1 ZINC000431890685 338141066 /nfs/dbraw/zinc/14/10/66/338141066.db2.gz SQIRGMZDZOJYCX-UHFFFAOYSA-N -1 3 310.180 4.366 20 0 DIADHM Cc1cc2cc(NC(=O)c3cc([O-])ccc3Cl)ccc2[nH]1 ZINC000431905941 338141450 /nfs/dbraw/zinc/14/14/50/338141450.db2.gz DNBVVOHBYYVTLK-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(SC)cc2)CC)n1 ZINC000435335279 338237139 /nfs/dbraw/zinc/23/71/39/338237139.db2.gz HCCCOIFHVZDSOQ-KAMYIIQDSA-N -1 3 314.454 4.395 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(COC)c2)CC)n1 ZINC000435337409 338237297 /nfs/dbraw/zinc/23/72/97/338237297.db2.gz VUNGSMPWTZUVHT-WJDWOHSUSA-N -1 3 312.413 4.232 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)cc2)CC)n1 ZINC000435339578 338237463 /nfs/dbraw/zinc/23/74/63/338237463.db2.gz VPUMTPOJGIXKMB-JLHYYAGUSA-N -1 3 302.805 4.326 20 0 DIADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1 ZINC000435761463 338248214 /nfs/dbraw/zinc/24/82/14/338248214.db2.gz MXOYICVDOAPBTQ-CIISACIHSA-N -1 3 301.773 4.034 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cccc4cnccc43)no2)c1 ZINC000435941779 338253825 /nfs/dbraw/zinc/25/38/25/338253825.db2.gz AQYUCIMNZXZETJ-BQYQJAHWSA-N -1 3 315.332 4.161 20 0 DIADHM CC(C)Oc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435954796 338254088 /nfs/dbraw/zinc/25/40/88/338254088.db2.gz DDCNZHVVIAPKDN-IZZDOVSWSA-N -1 3 322.364 4.400 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(Cc3cccc(Cl)c3)no2)c1 ZINC000435962419 338254408 /nfs/dbraw/zinc/25/44/08/338254408.db2.gz SPSSRBKVMBGWQE-BQYQJAHWSA-N -1 3 312.756 4.190 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c([O-])c1 ZINC000436486083 338273778 /nfs/dbraw/zinc/27/37/78/338273778.db2.gz IEUYXNAFQHAIPU-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000436484590 338273823 /nfs/dbraw/zinc/27/38/23/338273823.db2.gz HFHQECCRJVBDOO-CYBMUJFWSA-N -1 3 301.361 4.063 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)c([O-])c1 ZINC000436489287 338274052 /nfs/dbraw/zinc/27/40/52/338274052.db2.gz NFJBBWCAUFOBFD-UHFFFAOYSA-N -1 3 310.397 4.307 20 0 DIADHM COc1cc(-c2noc(/C(F)=C/C3CCCCC3)n2)ccc1[O-] ZINC000436523063 338275064 /nfs/dbraw/zinc/27/50/64/338275064.db2.gz ZCXZPROVHWNRDY-LCYFTJDESA-N -1 3 318.348 4.342 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1C ZINC000436525952 338275132 /nfs/dbraw/zinc/27/51/32/338275132.db2.gz HRNSKUGCOWNGQN-HNNXBMFYSA-N -1 3 301.411 4.048 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436526155 338275151 /nfs/dbraw/zinc/27/51/51/338275151.db2.gz DYNGTRNOXLFDCN-ZDUSSCGKSA-N -1 3 317.816 4.057 20 0 DIADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(F)cc1F ZINC000436530803 338275327 /nfs/dbraw/zinc/27/53/27/338275327.db2.gz GDAPTTVASFVGAQ-JTQLQIEISA-N -1 3 316.307 4.067 20 0 DIADHM CC[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(OC)cc1 ZINC000436535741 338275696 /nfs/dbraw/zinc/27/56/96/338275696.db2.gz SJGKWKDHWBBJDR-CYBMUJFWSA-N -1 3 324.380 4.187 20 0 DIADHM C[C@@H](CCc1cccc(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533828 338275803 /nfs/dbraw/zinc/27/58/03/338275803.db2.gz NTVDUCPDAFFVFT-LBPRGKRZSA-N -1 3 312.344 4.318 20 0 DIADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000436538518 338276114 /nfs/dbraw/zinc/27/61/14/338276114.db2.gz JVNHGPGXOIMBET-QGZVFWFLSA-N -1 3 313.397 4.014 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(-c3nccs3)c2)c1[O-] ZINC000436559647 338277126 /nfs/dbraw/zinc/27/71/26/338277126.db2.gz AUELTBPUEIEFPI-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1[O-] ZINC000436558404 338277154 /nfs/dbraw/zinc/27/71/54/338277154.db2.gz XQCIZKIMGYDPDC-BHIYHBOVSA-N -1 3 321.420 4.109 20 0 DIADHM CSCCc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436563338 338277306 /nfs/dbraw/zinc/27/73/06/338277306.db2.gz LJDZHMBZVWYDJG-UHFFFAOYSA-N -1 3 315.438 4.167 20 0 DIADHM C[C@H]1C[C@H](C)N(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436567022 338277425 /nfs/dbraw/zinc/27/74/25/338277425.db2.gz WMNGDYCZNTVPLX-KBPBESRZSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c([O-])c1C ZINC000436572175 338277908 /nfs/dbraw/zinc/27/79/08/338277908.db2.gz DJURWSCBODIGLM-SJLPKXTDSA-N -1 3 323.436 4.102 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c1[O-] ZINC000436578039 338277934 /nfs/dbraw/zinc/27/79/34/338277934.db2.gz VQAWEGOMXDVPCA-PXAZEXFGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1[O-] ZINC000436575294 338277976 /nfs/dbraw/zinc/27/79/76/338277976.db2.gz NJGBLWMQBFBZOY-KRWDZBQOSA-N -1 3 313.372 4.207 20 0 DIADHM Cc1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1[O-] ZINC000436581315 338278148 /nfs/dbraw/zinc/27/81/48/338278148.db2.gz ANWMGHPEAUCSDL-UHFFFAOYSA-N -1 3 307.393 4.173 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000436582334 338278363 /nfs/dbraw/zinc/27/83/63/338278363.db2.gz HHLRDMCPQWSOHJ-NVXWUHKLSA-N -1 3 319.470 4.016 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)c([O-])c1 ZINC000436585926 338278561 /nfs/dbraw/zinc/27/85/61/338278561.db2.gz ADLIOMDYEPXEHA-UHFFFAOYSA-N -1 3 313.397 4.269 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c([O-])c1C ZINC000436589207 338278700 /nfs/dbraw/zinc/27/87/00/338278700.db2.gz PBNDTQUUHHCLTE-QAPCUYQASA-N -1 3 323.436 4.275 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c([O-])c1C ZINC000436589854 338278723 /nfs/dbraw/zinc/27/87/23/338278723.db2.gz QACIVRVGCVRYQJ-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1[O-] ZINC000436592099 338278879 /nfs/dbraw/zinc/27/88/79/338278879.db2.gz SLGOMNBVZJOAFX-SJKOYZFVSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1[O-] ZINC000436592095 338278931 /nfs/dbraw/zinc/27/89/31/338278931.db2.gz SLGOMNBVZJOAFX-PXAZEXFGSA-N -1 3 313.372 4.063 20 0 DIADHM O=C(CC1CC1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436599017 338279252 /nfs/dbraw/zinc/27/92/52/338279252.db2.gz BPIXDXAQIWYMPG-UHFFFAOYSA-N -1 3 324.405 4.408 20 0 DIADHM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436604462 338279566 /nfs/dbraw/zinc/27/95/66/338279566.db2.gz AORGJHPLAARXRJ-MEDUHNTESA-N -1 3 312.369 4.329 20 0 DIADHM CC[C@@H](C)[C@H](OC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436604460 338279633 /nfs/dbraw/zinc/27/96/33/338279633.db2.gz AORGJHPLAARXRJ-BZNIZROVSA-N -1 3 312.369 4.329 20 0 DIADHM CCCCO[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436609235 338279780 /nfs/dbraw/zinc/27/97/80/338279780.db2.gz IEHZZIFZMFHFDT-GFCCVEGCSA-N -1 3 312.369 4.473 20 0 DIADHM Cn1ccc(/C=C/c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436610868 338279868 /nfs/dbraw/zinc/27/98/68/338279868.db2.gz KHMNJHUFZSPNJM-RMKNXTFCSA-N -1 3 317.348 4.104 20 0 DIADHM C[C@]1(c2nc(-c3ccc([O-])c4ccccc34)no2)C[C@H]2C[C@H]2C1 ZINC000436612769 338279947 /nfs/dbraw/zinc/27/99/47/338279947.db2.gz NWRYKDFCUJADPK-ZUSKZHGZSA-N -1 3 306.365 4.283 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)c2ccccc12 ZINC000436613603 338279953 /nfs/dbraw/zinc/27/99/53/338279953.db2.gz RGMRYBFMGDAHPQ-HALDLXJZSA-N -1 3 306.365 4.499 20 0 DIADHM CC(C)n1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)n1 ZINC000436612407 338279956 /nfs/dbraw/zinc/27/99/56/338279956.db2.gz NBGTWCGKWKGIKL-UHFFFAOYSA-N -1 3 320.352 4.040 20 0 DIADHM Cc1ccc(CCc2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000436611703 338279963 /nfs/dbraw/zinc/27/99/63/338279963.db2.gz LNFHNCACKHGFLT-UHFFFAOYSA-N -1 3 320.348 4.282 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccsc3)n2)c2ccccc12 ZINC000436617369 338280168 /nfs/dbraw/zinc/28/01/68/338280168.db2.gz KNDYFYFBDQMDPL-UHFFFAOYSA-N -1 3 308.362 4.248 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)c2ccccc12 ZINC000436619331 338280263 /nfs/dbraw/zinc/28/02/63/338280263.db2.gz RCUSHOBHSNUIFB-SNVBAGLBSA-N -1 3 316.307 4.498 20 0 DIADHM [O-]c1ccc(-c2noc(-c3conc3C3CC3)n2)c2ccccc12 ZINC000436618693 338280272 /nfs/dbraw/zinc/28/02/72/338280272.db2.gz OPIYDHCGVHRBHZ-UHFFFAOYSA-N -1 3 319.320 4.128 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c([O-])c1C ZINC000436625317 338280426 /nfs/dbraw/zinc/28/04/26/338280426.db2.gz DNANJFQDBWQURU-IENJSVCTSA-N -1 3 321.420 4.327 20 0 DIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@@H]1CCC1CCCCC1 ZINC000436631253 338280616 /nfs/dbraw/zinc/28/06/16/338280616.db2.gz TXMIYJYCUMKBDB-OAHLLOKOSA-N -1 3 317.429 4.063 20 0 DIADHM Cc1csc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)n1 ZINC000436634823 338280780 /nfs/dbraw/zinc/28/07/80/338280780.db2.gz LYNVQPKWYWACHG-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)c([O-])c1 ZINC000436651266 338281515 /nfs/dbraw/zinc/28/15/15/338281515.db2.gz UYNVKECOUDUCGA-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCOc1cc(-c2nc3ccccc3n2CC)cc(Cl)c1[O-] ZINC000436654137 338281586 /nfs/dbraw/zinc/28/15/86/338281586.db2.gz DWUKWUZTOFMLCI-UHFFFAOYSA-N -1 3 316.788 4.481 20 0 DIADHM CCC1(CC)CCCN(C(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC000436670464 338282362 /nfs/dbraw/zinc/28/23/62/338282362.db2.gz GAUYVIOFABALQB-UHFFFAOYSA-N -1 3 317.429 4.027 20 0 DIADHM Cc1ccc(C)c(SCc2noc(-c3ccccc3[O-])n2)c1 ZINC000436702422 338283331 /nfs/dbraw/zinc/28/33/31/338283331.db2.gz CXNKCGYQWPIECN-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM CCCCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000436708114 338283555 /nfs/dbraw/zinc/28/35/55/338283555.db2.gz ULNFORMMEDLXJG-HUUCEWRRSA-N -1 3 319.445 4.222 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000436726794 338284430 /nfs/dbraw/zinc/28/44/30/338284430.db2.gz ZIUAIWDHJFOGTC-AUUYWEPGSA-N -1 3 301.430 4.168 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c1 ZINC000436727697 338284480 /nfs/dbraw/zinc/28/44/80/338284480.db2.gz BPAXZQPHNWXHHI-UGSOOPFHSA-N -1 3 313.372 4.063 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000436732336 338284657 /nfs/dbraw/zinc/28/46/57/338284657.db2.gz CRRXHFLIZVAMJI-HZPDHXFCSA-N -1 3 301.430 4.166 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000436731655 338284697 /nfs/dbraw/zinc/28/46/97/338284697.db2.gz QHVWJTYIXKFZCY-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cccc3ccccc32)c([O-])c1C ZINC000436750929 338285374 /nfs/dbraw/zinc/28/53/74/338285374.db2.gz PLHJPCSLTOUNAO-UHFFFAOYSA-N -1 3 319.404 4.434 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000436750026 338285376 /nfs/dbraw/zinc/28/53/76/338285376.db2.gz LSWFHUPJZPRKFO-RDJZCZTQSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c([O-])c1C ZINC000436757509 338285818 /nfs/dbraw/zinc/28/58/18/338285818.db2.gz HZMDWTITZMEUOA-GFCCVEGCSA-N -1 3 319.351 4.120 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1C ZINC000436756526 338285846 /nfs/dbraw/zinc/28/58/46/338285846.db2.gz RURZMEPLXSZVNG-CQSZACIVSA-N -1 3 301.411 4.048 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(C)c1[O-] ZINC000436760867 338286129 /nfs/dbraw/zinc/28/61/29/338286129.db2.gz SZENNKDSBHRQEI-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CCOc1ccccc1/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436769216 338286515 /nfs/dbraw/zinc/28/65/15/338286515.db2.gz JSZRUKSYACGGTN-XFXZXTDPSA-N -1 3 308.337 4.011 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436771267 338286798 /nfs/dbraw/zinc/28/67/98/338286798.db2.gz ZAKYZJXCOVLASE-AQNFWKISSA-N -1 3 322.364 4.430 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436771271 338286802 /nfs/dbraw/zinc/28/68/02/338286802.db2.gz ZAKYZJXCOVLASE-KAOXEZKKSA-N -1 3 322.364 4.430 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3Cl)n2)cc1 ZINC000436774131 338287026 /nfs/dbraw/zinc/28/70/26/338287026.db2.gz VQBGRQOSPAAKDL-KBPBESRZSA-N -1 3 312.756 4.367 20 0 DIADHM COc1cc(C)cc(C(=O)N(C)c2ccccc2C(C)C)c1[O-] ZINC000436779405 338287153 /nfs/dbraw/zinc/28/71/53/338287153.db2.gz KUJWVTSJYMNBBZ-UHFFFAOYSA-N -1 3 313.397 4.109 20 0 DIADHM 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QBMJOASZATUETA-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM CC(C)CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000469151555 339281563 /nfs/dbraw/zinc/28/15/63/339281563.db2.gz GAZZICJZZOKTSD-UHFFFAOYSA-N -1 3 321.436 4.187 20 0 DIADHM Cc1ccc(CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000469175197 339282096 /nfs/dbraw/zinc/28/20/96/339282096.db2.gz YOKIXYYFIFZMIV-OAHLLOKOSA-N -1 3 309.409 4.174 20 0 DIADHM Cc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc(C)c1F ZINC000469181417 339282312 /nfs/dbraw/zinc/28/23/12/339282312.db2.gz JEDYUXVZBHVANX-NSHDSACASA-N -1 3 313.372 4.302 20 0 DIADHM C[C@@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469296397 339285372 /nfs/dbraw/zinc/28/53/72/339285372.db2.gz QKHQYDPTLTZULI-GJZGRUSLSA-N -1 3 309.409 4.426 20 0 DIADHM CCCc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000469309762 339285798 /nfs/dbraw/zinc/28/57/98/339285798.db2.gz VIUPEHRSYJIUKF-AWEZNQCLSA-N -1 3 309.409 4.499 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)c2c([O-])cccc21 ZINC000469314510 339285903 /nfs/dbraw/zinc/28/59/03/339285903.db2.gz WVIDXEMUVSILAO-CQSZACIVSA-N -1 3 321.420 4.425 20 0 DIADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469369466 339287027 /nfs/dbraw/zinc/28/70/27/339287027.db2.gz NGRQWXSUTBELMC-UNEWFSDZSA-N -1 3 319.420 4.034 20 0 DIADHM CCC[C@]1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469399633 339287985 /nfs/dbraw/zinc/28/79/85/339287985.db2.gz KEOVTDWOMITRSK-LJQANCHMSA-N -1 3 321.436 4.283 20 0 DIADHM CCCn1c(C(=O)Nc2c(C)cccc2[O-])cc2ccccc21 ZINC000469802137 339301162 /nfs/dbraw/zinc/30/11/62/339301162.db2.gz SCXXLKMUTOKNMM-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000471405074 339344213 /nfs/dbraw/zinc/34/42/13/339344213.db2.gz KJSYPICUZGOPGJ-LBPRGKRZSA-N -1 3 324.405 4.007 20 0 DIADHM C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000472046481 339360557 /nfs/dbraw/zinc/36/05/57/339360557.db2.gz DYHKSEUUKXROAF-BBATYDOGSA-N -1 3 303.352 4.084 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000472080010 339363073 /nfs/dbraw/zinc/36/30/73/339363073.db2.gz YOSUOCMPTUSYSI-UHFFFAOYSA-N -1 3 317.694 4.398 20 0 DIADHM CCSCc1cc(C(=O)[N-]c2csc3ccccc23)no1 ZINC000472384290 339371337 /nfs/dbraw/zinc/37/13/37/339371337.db2.gz REIOPFPAFQIZBD-UHFFFAOYSA-N -1 3 318.423 4.395 20 0 DIADHM O=C(Nc1ccccc1N1CCCCCC1)c1cccc([O-])c1 ZINC000476125336 339470011 /nfs/dbraw/zinc/47/00/11/339470011.db2.gz AGDWAKFOSKTRRK-UHFFFAOYSA-N -1 3 310.397 4.025 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1coc2cc(F)ccc21 ZINC000476393628 339475739 /nfs/dbraw/zinc/47/57/39/339475739.db2.gz ALUJWJIOKAHCMG-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000477099740 339486941 /nfs/dbraw/zinc/48/69/41/339486941.db2.gz LBNKSFLXFUZNQR-SNVBAGLBSA-N -1 3 309.287 4.153 20 0 DIADHM CCc1c(NCc2cc([O-])cc(F)c2)cnn1C(CC)CC ZINC000480483661 339574526 /nfs/dbraw/zinc/57/45/26/339574526.db2.gz WSCCOSOXGHYGFG-UHFFFAOYSA-N -1 3 305.397 4.263 20 0 DIADHM O=C(C[C@H]1CCc2ccccc2C1)Nc1cc(Cl)ccc1[O-] ZINC000481643242 339608445 /nfs/dbraw/zinc/60/84/45/339608445.db2.gz VGTWKEALDHVWIL-LBPRGKRZSA-N -1 3 315.800 4.179 20 0 DIADHM CC1(C)C[C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000482729401 339641111 /nfs/dbraw/zinc/64/11/11/339641111.db2.gz BQBVRGPWHKWROF-MRXNPFEDSA-N -1 3 315.800 4.198 20 0 DIADHM Cc1cscc1-c1nc2cc(Cl)c(Cl)cc2c(=O)[n-]1 ZINC000485344286 339701637 /nfs/dbraw/zinc/70/16/37/339701637.db2.gz AVPBNJPVICKTCU-UHFFFAOYSA-N -1 3 311.193 4.267 20 0 DIADHM CCCc1nc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])o1 ZINC000485533333 339705053 /nfs/dbraw/zinc/70/50/53/339705053.db2.gz PTECVYOFILFIRC-UHFFFAOYSA-N -1 3 316.401 4.191 20 0 DIADHM Cc1ccc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)s1 ZINC000487200727 339746146 /nfs/dbraw/zinc/74/61/46/339746146.db2.gz NXWPHQNKSXRGGJ-LBPRGKRZSA-N -1 3 315.438 4.235 20 0 DIADHM CCc1cc(C(=O)N2CC3(CCC3)c3ccccc32)ccc1[O-] ZINC000487315847 339750918 /nfs/dbraw/zinc/75/09/18/339750918.db2.gz ZCSBSXWWGMDMBR-UHFFFAOYSA-N -1 3 307.393 4.037 20 0 DIADHM CCc1cc(C(=O)N(CC)[C@H](C)Cc2ccsc2)ccc1[O-] ZINC000487458680 339754535 /nfs/dbraw/zinc/75/45/35/339754535.db2.gz BZECBUPMINLFMK-CYBMUJFWSA-N -1 3 317.454 4.109 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1[O-] ZINC000498547324 339789967 /nfs/dbraw/zinc/78/99/67/339789967.db2.gz FOBRAKDKXANLNT-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000490163935 339827413 /nfs/dbraw/zinc/82/74/13/339827413.db2.gz LMECFFWFVDFENA-AEFFLSMTSA-N -1 3 309.409 4.157 20 0 DIADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)ccc1[O-] ZINC000490163936 339827435 /nfs/dbraw/zinc/82/74/35/339827435.db2.gz LMECFFWFVDFENA-FUHWJXTLSA-N -1 3 309.409 4.157 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000490640465 339836245 /nfs/dbraw/zinc/83/62/45/339836245.db2.gz RSZGOJYWVZEJSK-UHFFFAOYSA-N -1 3 313.397 4.378 20 0 DIADHM O=C(CCSc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000490672900 339837229 /nfs/dbraw/zinc/83/72/29/339837229.db2.gz KCAWTWIITSZAAC-UHFFFAOYSA-N -1 3 307.802 4.167 20 0 DIADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(F)cccc1F ZINC000495370654 339981775 /nfs/dbraw/zinc/98/17/75/339981775.db2.gz NCLGILYHJLVOQR-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H](c1ccccc1)C1CC1 ZINC000498645981 340021453 /nfs/dbraw/zinc/02/14/53/340021453.db2.gz DYVPHLQNVXEJHU-MRXNPFEDSA-N -1 3 301.773 4.178 20 0 DIADHM CCn1c(=O)[n-]nc1S[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000499365193 340035346 /nfs/dbraw/zinc/03/53/46/340035346.db2.gz WYLCFLOYSXWGLW-NSHDSACASA-N -1 3 305.447 4.154 20 0 DIADHM Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccc1[O-] ZINC000499531131 340038852 /nfs/dbraw/zinc/03/88/52/340038852.db2.gz DNYYOMPOQQFPFX-QGZVFWFLSA-N -1 3 315.800 4.235 20 0 DIADHM Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1[O-] ZINC000499615589 340041060 /nfs/dbraw/zinc/04/10/60/340041060.db2.gz KZZLORUJUYTGOU-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1[O-] ZINC000499647940 340042192 /nfs/dbraw/zinc/04/21/92/340042192.db2.gz HTAQTSIAVDPWHU-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2N2CCCCCC2)ccc1[O-] ZINC000499750603 340044012 /nfs/dbraw/zinc/04/40/12/340044012.db2.gz PGFABNJWKOHCEC-UHFFFAOYSA-N -1 3 324.424 4.333 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)ccc1[O-] ZINC000499835550 340045555 /nfs/dbraw/zinc/04/55/55/340045555.db2.gz DOEFLUSOVFOSJQ-UHFFFAOYSA-N -1 3 315.344 4.023 20 0 DIADHM Cc1cc(C(=O)Nc2cnccc2Oc2ccccc2)ccc1[O-] ZINC000499953632 340047644 /nfs/dbraw/zinc/04/76/44/340047644.db2.gz BNNUMNJHQSBJOA-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM C[C@@H]1C[C@@]1(NCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000500431001 340058562 /nfs/dbraw/zinc/05/85/62/340058562.db2.gz WKIGTMNFXHXUQX-DIFFPNOSSA-N -1 3 305.780 4.210 20 0 DIADHM C[C@@H]1C[C@]1(NCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000500431003 340058566 /nfs/dbraw/zinc/05/85/66/340058566.db2.gz WKIGTMNFXHXUQX-PIGZYNQJSA-N -1 3 305.780 4.210 20 0 DIADHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000500534478 340061749 /nfs/dbraw/zinc/06/17/49/340061749.db2.gz HKEAJWJCOYBSKV-LLVKDONJSA-N -1 3 323.314 4.228 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2CC(F)(F)F)ccc1[O-] ZINC000500643465 340064412 /nfs/dbraw/zinc/06/44/12/340064412.db2.gz NDXKSDOFKMIWJE-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2ccc3cc[nH]c3c2)c([O-])c1 ZINC000501947808 340091294 /nfs/dbraw/zinc/09/12/94/340091294.db2.gz OYBNYUNLWSYGFP-UHFFFAOYSA-N -1 3 308.381 4.423 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000501972950 340091795 /nfs/dbraw/zinc/09/17/95/340091795.db2.gz HLBFXTSKIAJXLG-UHFFFAOYSA-N -1 3 317.410 4.206 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2ccnc(C3CC3)c2)c([O-])c1 ZINC000501977755 340091842 /nfs/dbraw/zinc/09/18/42/340091842.db2.gz NVPSMCQUZUCNIJ-UHFFFAOYSA-N -1 3 310.397 4.214 20 0 DIADHM C[C@@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cccnc1 ZINC000501982871 340092041 /nfs/dbraw/zinc/09/20/41/340092041.db2.gz WEBZAHSWLHNUNE-ZDUSSCGKSA-N -1 3 312.413 4.217 20 0 DIADHM Cc1ccccc1[C@@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000501988274 340092177 /nfs/dbraw/zinc/09/21/77/340092177.db2.gz YWAQJRRYIOVLFK-HNNXBMFYSA-N -1 3 309.409 4.174 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000502665933 340109878 /nfs/dbraw/zinc/10/98/78/340109878.db2.gz IRQXVUDUFCIWGP-NEPJUHHUSA-N -1 3 322.191 4.441 20 0 DIADHM Cc1ccc(-c2csc([N-]c3ncnc4ccncc43)n2)cc1 ZINC000502739875 340112669 /nfs/dbraw/zinc/11/26/69/340112669.db2.gz KJJPMFIXRCZFQP-UHFFFAOYSA-N -1 3 319.393 4.200 20 0 DIADHM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506231306 340189467 /nfs/dbraw/zinc/18/94/67/340189467.db2.gz NOFINCBMVDYNJY-ZDUSSCGKSA-N -1 3 307.434 4.079 20 0 DIADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cccs1 ZINC000506250987 340189964 /nfs/dbraw/zinc/18/99/64/340189964.db2.gz UMAMDYPAHNMRTP-LLVKDONJSA-N -1 3 303.427 4.493 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(Br)cc2)c1F ZINC000506852622 340202741 /nfs/dbraw/zinc/20/27/41/340202741.db2.gz YFIZBFVZDNVWGO-UHFFFAOYSA-N -1 3 314.129 4.045 20 0 DIADHM COc1cccc([C@H]2CCCN2Cc2cccc([O-])c2Cl)c1 ZINC000507076913 340206597 /nfs/dbraw/zinc/20/65/97/340206597.db2.gz IHMAFFSSXAIJDX-MRXNPFEDSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2cccc(Cl)c2)n1 ZINC000507112360 340207692 /nfs/dbraw/zinc/20/76/92/340207692.db2.gz UYVJVFWHZJLYHS-INIZCTEOSA-N -1 3 302.805 4.086 20 0 DIADHM [O-]c1ccc(F)c(CN(Cc2ccco2)C2CCCC2)c1F ZINC000507205311 340213180 /nfs/dbraw/zinc/21/31/80/340213180.db2.gz VNAHWFDZOWLZJT-UHFFFAOYSA-N -1 3 307.340 4.208 20 0 DIADHM CCN(Cc1cccc([O-])c1Cl)[C@H](C)c1cccc(O)c1 ZINC000507561391 340225143 /nfs/dbraw/zinc/22/51/43/340225143.db2.gz ASQKVMXVZHSHGD-GFCCVEGCSA-N -1 3 305.805 4.334 20 0 DIADHM COc1ccccc1[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000508187086 340240151 /nfs/dbraw/zinc/24/01/51/340240151.db2.gz JZVCUJCZTHNWSP-OAHLLOKOSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000508278141 340241829 /nfs/dbraw/zinc/24/18/29/340241829.db2.gz BNDBOIUGQOWZIG-ZDUSSCGKSA-N -1 3 317.816 4.057 20 0 DIADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1Cl ZINC000508522273 340245757 /nfs/dbraw/zinc/24/57/57/340245757.db2.gz QESHLWJCAXDKFE-JTQLQIEISA-N -1 3 324.207 4.119 20 0 DIADHM CCCN(Cc1cccc([O-])c1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000508718440 340251419 /nfs/dbraw/zinc/25/14/19/340251419.db2.gz LEMLAULSOYEAEN-XKQJLSEDSA-N -1 3 323.864 4.071 20 0 DIADHM CC(C)COc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509170248 340262864 /nfs/dbraw/zinc/26/28/64/340262864.db2.gz SCMOYMLGLYORQG-UHFFFAOYSA-N -1 3 307.340 4.317 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccccc2Br)c1F ZINC000509259844 340264772 /nfs/dbraw/zinc/26/47/72/340264772.db2.gz IYUUOMFRFFAOQF-UHFFFAOYSA-N -1 3 314.129 4.045 20 0 DIADHM CN(CCC1CCCCC1)C(=O)Cc1ccc([O-])cc1Cl ZINC000509352969 340266975 /nfs/dbraw/zinc/26/69/75/340266975.db2.gz GGJPWKGGTPBMPW-UHFFFAOYSA-N -1 3 309.837 4.017 20 0 DIADHM CCCCc1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000509582378 340274071 /nfs/dbraw/zinc/27/40/71/340274071.db2.gz HLCBLRPMQXMEQV-UHFFFAOYSA-N -1 3 301.361 4.055 20 0 DIADHM [O-]c1ccc(F)c(CNCc2ccc(Cl)cc2Cl)c1F ZINC000509621986 340274917 /nfs/dbraw/zinc/27/49/17/340274917.db2.gz NJZPFMKPBDBCDD-UHFFFAOYSA-N -1 3 318.150 4.267 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000303532818 340331505 /nfs/dbraw/zinc/33/15/05/340331505.db2.gz FDHYZJNYVZWEAG-NWDGAFQWSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c1[O-] ZINC000303938365 340354966 /nfs/dbraw/zinc/35/49/66/340354966.db2.gz YGNAPQBCIBDNIZ-CYBMUJFWSA-N -1 3 317.816 4.057 20 0 DIADHM CSc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000512345739 340358335 /nfs/dbraw/zinc/35/83/35/340358335.db2.gz IRLOEVKFLUQWDX-SNVBAGLBSA-N -1 3 321.829 4.259 20 0 DIADHM Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c([O-])c1 ZINC000512424864 340361384 /nfs/dbraw/zinc/36/13/84/340361384.db2.gz UXRLFQGVTKZOBC-AWEZNQCLSA-N -1 3 313.397 4.230 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c([O-])c1 ZINC000512424865 340361419 /nfs/dbraw/zinc/36/14/19/340361419.db2.gz UXRLFQGVTKZOBC-CQSZACIVSA-N -1 3 313.397 4.230 20 0 DIADHM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512909201 340383700 /nfs/dbraw/zinc/38/37/00/340383700.db2.gz UOMGKESXTUSINM-UHFFFAOYSA-N -1 3 316.401 4.362 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)CC[C@H]1C(F)(F)F ZINC000513183375 340396046 /nfs/dbraw/zinc/39/60/46/340396046.db2.gz KWYNZWYTLDOEEQ-GFCCVEGCSA-N -1 3 323.305 4.081 20 0 DIADHM CN(Cc1ccc(F)c(Cl)c1)Cc1c(F)ccc([O-])c1F ZINC000513247360 340399231 /nfs/dbraw/zinc/39/92/31/340399231.db2.gz NTPNVTYLDXENLB-UHFFFAOYSA-N -1 3 315.722 4.095 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000183074117 340486449 /nfs/dbraw/zinc/48/64/49/340486449.db2.gz DFKVNADYCRUTEH-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1ccc2nc([N-]C(=O)c3c(F)ccc(F)c3F)sc2c1 ZINC000185080912 340497882 /nfs/dbraw/zinc/49/78/82/340497882.db2.gz CZKHCHYVZIJYLZ-UHFFFAOYSA-N -1 3 322.311 4.274 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)c2c([O-])cccc21 ZINC000186277636 340510401 /nfs/dbraw/zinc/51/04/01/340510401.db2.gz XKKLKBNPIZNAKL-NSHDSACASA-N -1 3 313.422 4.096 20 0 DIADHM C[C@@H]1CCN(C(=O)CSc2ccccc2)c2c([O-])cccc21 ZINC000186299246 340510851 /nfs/dbraw/zinc/51/08/51/340510851.db2.gz VUKRHKIWTXWZMG-CYBMUJFWSA-N -1 3 313.422 4.025 20 0 DIADHM CSc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000186299841 340510996 /nfs/dbraw/zinc/51/09/96/340510996.db2.gz GRMNNNZERIVLGG-GFCCVEGCSA-N -1 3 313.422 4.268 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)c2c([O-])cccc21 ZINC000186316076 340511255 /nfs/dbraw/zinc/51/12/55/340511255.db2.gz KHGXQXFOWQAVOG-LBPRGKRZSA-N -1 3 306.365 4.028 20 0 DIADHM Cc1scc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1C ZINC000186343264 340511456 /nfs/dbraw/zinc/51/14/56/340511456.db2.gz OBOQWMQVWWFUTF-JTQLQIEISA-N -1 3 301.411 4.225 20 0 DIADHM [O-]c1cc(F)cc(CNc2cccc(-c3nccs3)c2)c1 ZINC000223115266 340543736 /nfs/dbraw/zinc/54/37/36/340543736.db2.gz KAHBTBNOCADLLN-UHFFFAOYSA-N -1 3 300.358 4.267 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1[O-] ZINC000226715148 340590512 /nfs/dbraw/zinc/59/05/12/340590512.db2.gz GYZRFWJYLPUQSS-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc2nc(NC(=O)c3cc([O-])ccc3Cl)sc2c1 ZINC000236001131 340662171 /nfs/dbraw/zinc/66/21/71/340662171.db2.gz BOXWDMSKVISRMW-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C)cc1[O-] ZINC000525238136 340696561 /nfs/dbraw/zinc/69/65/61/340696561.db2.gz QPSKKHVVGUBZEB-JDFRZJQESA-N -1 3 305.418 4.013 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1Cl ZINC000525309744 340699720 /nfs/dbraw/zinc/69/97/20/340699720.db2.gz BKZIMPFDEAONGI-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM CCC(CC)(OC)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000322541702 340705067 /nfs/dbraw/zinc/70/50/67/340705067.db2.gz ZEYMHJCELGXKHB-UHFFFAOYSA-N -1 3 312.369 4.257 20 0 DIADHM CCC(CC)(CC)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000526008199 340708427 /nfs/dbraw/zinc/70/84/27/340708427.db2.gz LXKMQEDAECIIOL-UHFFFAOYSA-N -1 3 317.351 4.357 20 0 DIADHM O=C(CCc1ccccc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000069693428 340710824 /nfs/dbraw/zinc/71/08/24/340710824.db2.gz OKFDXKGYEAQSES-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM O=C(Nc1ccc([O-])cc1Cl)C1CCc2ccccc2CC1 ZINC000529517597 340758687 /nfs/dbraw/zinc/75/86/87/340758687.db2.gz JFJOLUVTCHADOJ-UHFFFAOYSA-N -1 3 315.800 4.179 20 0 DIADHM CC1(C(=O)Nc2ccc([O-])cc2Cl)CCC(F)(F)CC1 ZINC000529520189 340758796 /nfs/dbraw/zinc/75/87/96/340758796.db2.gz STMXZFVJPRKJTF-UHFFFAOYSA-N -1 3 303.736 4.200 20 0 DIADHM COC(C)(C)CN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000538783266 340851303 /nfs/dbraw/zinc/85/13/03/340851303.db2.gz HSKJDKRAHMOLQF-UHFFFAOYSA-N -1 3 321.461 4.136 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2ccc(F)cc2)o1 ZINC000128288179 340865591 /nfs/dbraw/zinc/86/55/91/340865591.db2.gz BJMHYQCPTMIUDH-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM CCCN(CC)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128819881 340916185 /nfs/dbraw/zinc/91/61/85/340916185.db2.gz PKLYFZNDZKATJH-UHFFFAOYSA-N -1 3 316.376 4.020 20 0 DIADHM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129604804 340975474 /nfs/dbraw/zinc/97/54/74/340975474.db2.gz UFSOYHDUKWFBKX-SNVBAGLBSA-N -1 3 323.364 4.037 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccccc1Cc1ccccc1 ZINC000129693372 340981982 /nfs/dbraw/zinc/98/19/82/340981982.db2.gz YPUQIAWSEXMGET-UHFFFAOYSA-N -1 3 321.351 4.374 20 0 DIADHM O=[S@](Cc1ccccc1Oc1ccccc1)c1cccc([O-])c1 ZINC000541761934 340982707 /nfs/dbraw/zinc/98/27/07/340982707.db2.gz CHTRDXSIMQSCCR-HSZRJFAPSA-N -1 3 324.401 4.492 20 0 DIADHM Cc1cccc(OCCCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129721081 340984386 /nfs/dbraw/zinc/98/43/86/340984386.db2.gz RCJYNEFLXRESIC-UHFFFAOYSA-N -1 3 317.360 4.028 20 0 DIADHM O=S(=O)([N-]c1cccc(C(F)F)c1Cl)c1ccccc1 ZINC000543664255 341053367 /nfs/dbraw/zinc/05/33/67/341053367.db2.gz QBCLZALPXGZRCZ-UHFFFAOYSA-N -1 3 317.744 4.078 20 0 DIADHM COc1ccc2oc(C(=O)Nc3c(C)cccc3[O-])c(C)c2c1 ZINC000543702920 341054028 /nfs/dbraw/zinc/05/40/28/341054028.db2.gz KTXLZJZHGCYEMN-UHFFFAOYSA-N -1 3 311.337 4.016 20 0 DIADHM Cc1ccc(-c2ccc(C(=O)Nc3cc(F)ccc3[O-])s2)o1 ZINC000543820395 341060385 /nfs/dbraw/zinc/06/03/85/341060385.db2.gz PQIAFJJETVMJKV-UHFFFAOYSA-N -1 3 317.341 4.414 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cccc(F)c1Cl ZINC000072506676 341087642 /nfs/dbraw/zinc/08/76/42/341087642.db2.gz YRTBGKHUIZTZLW-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)c([O-])c1 ZINC000131776533 341111485 /nfs/dbraw/zinc/11/14/85/341111485.db2.gz LDOIXZKZSKVUIQ-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC(c3ccccc3F)CC2)c1 ZINC000546741546 341181167 /nfs/dbraw/zinc/18/11/67/341181167.db2.gz FLYBMXVTUZOUAJ-UHFFFAOYSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1cc2c(cc1-c1nc([C@@H]3Cc4ccccc43)no1)CCCC2 ZINC000546993406 341190371 /nfs/dbraw/zinc/19/03/71/341190371.db2.gz DTDNDUOSBYVEQM-MRXNPFEDSA-N -1 3 318.376 4.009 20 0 DIADHM O=C([N-]c1nc(-c2ccccc2)cs1)c1sccc1F ZINC000549073636 341285402 /nfs/dbraw/zinc/28/54/02/341285402.db2.gz ICXXRFMVMLFNTK-UHFFFAOYSA-N -1 3 304.371 4.263 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(Cl)cc1F ZINC000138058751 341289824 /nfs/dbraw/zinc/28/98/24/341289824.db2.gz WZAQAVNKCYVAAQ-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(F)cccc1F ZINC000138060193 341290489 /nfs/dbraw/zinc/29/04/89/341290489.db2.gz GZHIJIOCUOQWBV-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)C1CCCCC1 ZINC000551702662 341349396 /nfs/dbraw/zinc/34/93/96/341349396.db2.gz BOJPMAKTMQHNAQ-NEPJUHHUSA-N -1 3 309.837 4.380 20 0 DIADHM CCc1[nH]ccc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000552401029 341391332 /nfs/dbraw/zinc/39/13/32/341391332.db2.gz ZEQYTNSMKVEDEX-UHFFFAOYSA-N -1 3 320.392 4.126 20 0 DIADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1c(F)cccc1F ZINC000552433182 341393609 /nfs/dbraw/zinc/39/36/09/341393609.db2.gz BIABWAPWPBVUGH-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000552781718 341404128 /nfs/dbraw/zinc/40/41/28/341404128.db2.gz UONGFTDYZOHXEF-IUCAKERBSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)c(F)c1 ZINC000552779790 341404141 /nfs/dbraw/zinc/40/41/41/341404141.db2.gz FORRYSWUZMNVIC-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552781648 341404153 /nfs/dbraw/zinc/40/41/53/341404153.db2.gz PZSWZFMIHMGRGE-UHFFFAOYSA-N -1 3 303.789 4.315 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089686778 341407087 /nfs/dbraw/zinc/40/70/87/341407087.db2.gz WGKLGBYTLLPRCJ-UHFFFAOYSA-N -1 3 322.459 4.028 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc(F)c(Cl)c1F ZINC000554061656 341442074 /nfs/dbraw/zinc/44/20/74/341442074.db2.gz OIVZKUWKKNJBHE-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM Cc1ccc(C(C)(C)CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000555841858 341490719 /nfs/dbraw/zinc/49/07/19/341490719.db2.gz UJHOEQOOOXAGID-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM Cc1ccc(/C=C/CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000155591202 341610066 /nfs/dbraw/zinc/61/00/66/341610066.db2.gz ZBOOUNUXZAHELR-GORDUTHDSA-N -1 3 307.393 4.083 20 0 DIADHM COC1(c2noc(-c3cc4ccccc4cc3[O-])n2)CCCC1 ZINC000273972455 341639507 /nfs/dbraw/zinc/63/95/07/341639507.db2.gz SEZMULKKYMKYHE-UHFFFAOYSA-N -1 3 310.353 4.011 20 0 DIADHM Cc1ccc(NC(=O)c2nc3ccccc3cc2Cl)c([O-])c1 ZINC000573047619 341714787 /nfs/dbraw/zinc/71/47/87/341714787.db2.gz UGEQYUIZQACVFK-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000573511623 341730448 /nfs/dbraw/zinc/73/04/48/341730448.db2.gz FMJMPIQNMAPVPA-HNNXBMFYSA-N -1 3 315.388 4.375 20 0 DIADHM CC(C)CCC1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000576352838 341842101 /nfs/dbraw/zinc/84/21/01/341842101.db2.gz FLSXZPHDGYSIAG-UHFFFAOYSA-N -1 3 307.409 4.172 20 0 DIADHM CCc1oc(C(=O)[O-])cc1CN1CCC(CCC(C)C)CC1 ZINC000577226711 341898800 /nfs/dbraw/zinc/89/88/00/341898800.db2.gz NVVBIOPBIPFFGZ-UHFFFAOYSA-N -1 3 307.434 4.188 20 0 DIADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000284366770 534634851 /nfs/dbraw/zinc/63/48/51/534634851.db2.gz XDTWABQYDWRRTN-NSHDSACASA-N -1 3 323.820 4.455 20 0 DIADHM Cc1ccc2cccc(C(=O)Nc3ccc(Cl)cc3[O-])c2n1 ZINC000339007239 526235991 /nfs/dbraw/zinc/23/59/91/526235991.db2.gz DEAMTFAUGIRBLK-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC[C@@H](NCc1cc(=O)oc2c(C)c([O-])ccc12)c1ccccc1 ZINC000299433384 535805305 /nfs/dbraw/zinc/80/53/05/535805305.db2.gz VOIHKKRNJJHEOR-QGZVFWFLSA-N -1 3 323.392 4.048 20 0 DIADHM Cc1ccc(S[C@@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000579744653 1035545799 /nfs/dbraw/zinc/54/57/99/1035545799.db2.gz SVZUBRHUVXFTOQ-NSHDSACASA-N -1 3 321.829 4.473 20 0 DIADHM CC/C(C)=C(/C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000833833574 1035585291 /nfs/dbraw/zinc/58/52/91/1035585291.db2.gz MZIUMPNAFXDWGG-HJWRWDBZSA-N -1 3 312.207 4.148 20 0 DIADHM CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000007684365 1035733102 /nfs/dbraw/zinc/73/31/02/1035733102.db2.gz AMNIRFCAHTVBPZ-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722634224 1035745765 /nfs/dbraw/zinc/74/57/65/1035745765.db2.gz GIMSQBJHPFXYIB-GMTAPVOTSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1[O-] ZINC000683224883 1035782250 /nfs/dbraw/zinc/78/22/50/1035782250.db2.gz SNTAPPBRWCQKFI-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(F)c1Cl ZINC000175613349 1036241603 /nfs/dbraw/zinc/24/16/03/1036241603.db2.gz BFNGRQQCASOBLL-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cccc(Nc2cc(Br)cc(F)c2[O-])c1F ZINC001210037155 1036359538 /nfs/dbraw/zinc/35/95/38/1036359538.db2.gz IEFMBRAGPHVWMW-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1nc(Cl)c(Nc2cccc(Cl)c2[O-])c(Cl)n1 ZINC001210215635 1036531118 /nfs/dbraw/zinc/53/11/18/1036531118.db2.gz KNTWUCZKWOAVRA-UHFFFAOYSA-N -1 3 304.564 4.194 20 0 DIADHM CCc1noc(C)c1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000683607723 1036556903 /nfs/dbraw/zinc/55/69/03/1036556903.db2.gz ZEZNHMVRWFYSST-UHFFFAOYSA-N -1 3 313.357 4.091 20 0 DIADHM Cc1ccc(Br)nc1Nc1cccc([O-])c1Cl ZINC001210855430 1037017486 /nfs/dbraw/zinc/01/74/86/1037017486.db2.gz NAIPWZSTRIYGCN-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1ccnc(Br)c1Nc1cccc([O-])c1Cl ZINC001210851542 1037012252 /nfs/dbraw/zinc/01/22/52/1037012252.db2.gz BLHMRQASXCAQAG-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1Cl ZINC001210855462 1037014703 /nfs/dbraw/zinc/01/47/03/1037014703.db2.gz OPWCTQJQVBKYOM-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM COC(=O)c1cc(C)c(Nc2cccc([O-])c2Cl)c(C)c1 ZINC001210854912 1037015159 /nfs/dbraw/zinc/01/51/59/1037015159.db2.gz NANRMROKNZCUSK-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM [O-]c1cccc(Nc2nc(F)c(F)c(Cl)c2F)c1Cl ZINC001210855496 1037018194 /nfs/dbraw/zinc/01/81/94/1037018194.db2.gz RCSDWYCPRGMDOT-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM Cc1ccccc1-c1cc(Nc2cccc([O-])c2Cl)n(C)n1 ZINC001210855777 1037018418 /nfs/dbraw/zinc/01/84/18/1037018418.db2.gz WMKWJCTXEUDHTK-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ncc(CC)s2)CC)n1 ZINC000581049794 1037419613 /nfs/dbraw/zinc/41/96/13/1037419613.db2.gz PMXBFZVGZHUCPG-DHZHZOJOSA-N -1 3 303.431 4.104 20 0 DIADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000581301765 1037521315 /nfs/dbraw/zinc/52/13/15/1037521315.db2.gz DSIPOKFJJVFGQS-SECBINFHSA-N -1 3 310.180 4.441 20 0 DIADHM O=C([O-])c1cccc(CN2CCC(C3CCC3)CC2)c1Cl ZINC000656759914 1037840095 /nfs/dbraw/zinc/84/00/95/1037840095.db2.gz LOYBDESVXRHGSE-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM Cc1cc(Cl)cc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000395160045 1037852834 /nfs/dbraw/zinc/85/28/34/1037852834.db2.gz SPEBNDQHTAZISD-CYBMUJFWSA-N -1 3 309.818 4.016 20 0 DIADHM COc1cc(Cl)c(F)c(C(=O)[N-]c2c(F)cccc2F)c1 ZINC001348539175 1037920049 /nfs/dbraw/zinc/92/00/49/1037920049.db2.gz JFHMBMVTVGLBCP-UHFFFAOYSA-N -1 3 315.678 4.018 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)cc2cccnc21 ZINC000341364835 1037923950 /nfs/dbraw/zinc/92/39/50/1037923950.db2.gz MSLSUSYIHREDES-UHFFFAOYSA-N -1 3 320.245 4.044 20 0 DIADHM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000602324876 1037981163 /nfs/dbraw/zinc/98/11/63/1037981163.db2.gz IFSKHKFFHQMVEF-CYBMUJFWSA-N -1 3 303.789 4.253 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/Cc1nc2ccccc2s1 ZINC000060805138 1038028134 /nfs/dbraw/zinc/02/81/34/1038028134.db2.gz NVRFJLDDGLCQFK-CAOOACKPSA-N -1 3 302.786 4.274 20 0 DIADHM CC1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000602949755 1038116961 /nfs/dbraw/zinc/11/69/61/1038116961.db2.gz GALGXZLVAIZCCC-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761599 1038502105 /nfs/dbraw/zinc/50/21/05/1038502105.db2.gz GOFDPSJIMXGCHC-HNNXBMFYSA-N -1 3 316.228 4.070 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(Oc3cccnc3)cc2)c1 ZINC000342426186 1038591742 /nfs/dbraw/zinc/59/17/42/1038591742.db2.gz VZEDGIPVUIIDAG-UHFFFAOYSA-N -1 3 310.328 4.331 20 0 DIADHM CC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC000582153520 1038601851 /nfs/dbraw/zinc/60/18/51/1038601851.db2.gz XQZJNCAWDQLQAP-UHFFFAOYSA-N -1 3 319.360 4.309 20 0 DIADHM CCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000606669823 1038619251 /nfs/dbraw/zinc/61/92/51/1038619251.db2.gz JBFVQNSAIIZJCP-MRXNPFEDSA-N -1 3 322.424 4.080 20 0 DIADHM Cc1oc([C@H](C)N2CCC[C@@H]2c2ccsc2)cc1C(=O)[O-] ZINC000517035448 1038983024 /nfs/dbraw/zinc/98/30/24/1038983024.db2.gz IYKSHIHJHAPUBY-IINYFYTJSA-N -1 3 305.399 4.246 20 0 DIADHM [O-]c1c(F)cc(Nc2nc(C(F)(F)F)ccc2Cl)cc1F ZINC001213377438 1039145660 /nfs/dbraw/zinc/14/56/60/1039145660.db2.gz PAKMETRMMYHTOZ-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)C2)c([O-])c1 ZINC000622574022 1039453611 /nfs/dbraw/zinc/45/36/11/1039453611.db2.gz BSSYNJQCHZZZNF-OAHLLOKOSA-N -1 3 303.446 4.414 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H](CC(C)C)C(=O)OC(C)C ZINC001233592437 1039566682 /nfs/dbraw/zinc/56/66/82/1039566682.db2.gz MYCJQZFNXGZZLZ-HNNXBMFYSA-N -1 3 314.809 4.099 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H](CC(C)C)C(=O)OC(C)C ZINC001233592438 1039568008 /nfs/dbraw/zinc/56/80/08/1039568008.db2.gz MYCJQZFNXGZZLZ-OAHLLOKOSA-N -1 3 314.809 4.099 20 0 DIADHM CCOc1ccc([C@H](C)NCc2cccc([O-])c2Cl)cc1 ZINC000328202240 1039831695 /nfs/dbraw/zinc/83/16/95/1039831695.db2.gz GMWYQSRCDVVZTJ-LBPRGKRZSA-N -1 3 305.805 4.295 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c1 ZINC000491562396 1039856133 /nfs/dbraw/zinc/85/61/33/1039856133.db2.gz WNDFVYYHZLEQEO-INIZCTEOSA-N -1 3 315.438 4.239 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)c(C)c1O ZINC000503331082 1040007015 /nfs/dbraw/zinc/00/70/15/1040007015.db2.gz JEHJSZFCZUWXBD-UHFFFAOYSA-N -1 3 307.349 4.120 20 0 DIADHM Cc1cc2cc(Nc3ncc(Br)cc3[O-])ccc2[nH]1 ZINC001213785007 1040100685 /nfs/dbraw/zinc/10/06/85/1040100685.db2.gz MGGGIGKWMVYKGA-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM CCSCc1cc(C(=O)[N-]c2ccc(C)cc2SC)no1 ZINC000413913785 1040703045 /nfs/dbraw/zinc/70/30/45/1040703045.db2.gz XLRKGGIRNWQCLQ-UHFFFAOYSA-N -1 3 322.455 4.210 20 0 DIADHM O=C1CCCc2cc(Nc3nc4c(cccc4[O-])s3)ccc21 ZINC001213101278 1041118459 /nfs/dbraw/zinc/11/84/59/1041118459.db2.gz QGKMHEPHASMNPO-UHFFFAOYSA-N -1 3 310.378 4.265 20 0 DIADHM O=C(OC[C@@H]1CC1(Cl)Cl)c1cc2cc(Cl)sc2[n-]1 ZINC000810608550 1041415474 /nfs/dbraw/zinc/41/54/74/1041415474.db2.gz TZZADTKEQHBAOG-LURJTMIESA-N -1 3 324.616 4.233 20 0 DIADHM CS[C@@H](C)[C@@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810810649 1041444706 /nfs/dbraw/zinc/44/47/06/1041444706.db2.gz VKHAODWUKLSHRH-RQJHMYQMSA-N -1 3 303.836 4.180 20 0 DIADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cc(Cl)cs1 ZINC001132720116 1041499770 /nfs/dbraw/zinc/49/97/70/1041499770.db2.gz NEMYYGVMPGTNQM-UHFFFAOYSA-N -1 3 309.671 4.210 20 0 DIADHM C[C@@H](O[N-]C(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000811020081 1041476844 /nfs/dbraw/zinc/47/68/44/1041476844.db2.gz PMTMDADGMHNBPA-OAHLLOKOSA-N -1 3 305.377 4.191 20 0 DIADHM Cc1ccc(CC(C)(C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000416280393 1041555240 /nfs/dbraw/zinc/55/52/40/1041555240.db2.gz XZYDNYHDZVTMCA-UHFFFAOYSA-N -1 3 317.816 4.105 20 0 DIADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)[N-]OC1CCC1 ZINC000812796121 1041652347 /nfs/dbraw/zinc/65/23/47/1041652347.db2.gz JOVYZHPTCYNVNT-UHFFFAOYSA-N -1 3 316.228 4.307 20 0 DIADHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCCOc2ccccc21 ZINC000190915897 1041720249 /nfs/dbraw/zinc/72/02/49/1041720249.db2.gz PYCUCVSRMXMVGQ-CQSZACIVSA-N -1 3 321.779 4.188 20 0 DIADHM CC(C)(/C=C/Cl)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001133964005 1041742260 /nfs/dbraw/zinc/74/22/60/1041742260.db2.gz WGTCWIWZOKKHAM-VOTSOKGWSA-N -1 3 308.155 4.079 20 0 DIADHM Cc1cccc2c1[C@H](OC(=O)c1cc3ccsc3[n-]1)CCO2 ZINC000814034831 1041758008 /nfs/dbraw/zinc/75/80/08/1041758008.db2.gz VIFZHAZRHFMMCP-CQSZACIVSA-N -1 3 313.378 4.218 20 0 DIADHM CCc1nc(C)c(COC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000814066810 1041764266 /nfs/dbraw/zinc/76/42/66/1041764266.db2.gz PDJAWPGFTDUGCP-UHFFFAOYSA-N -1 3 324.789 4.099 20 0 DIADHM CC(=O)Nc1cccc([C@H](C)/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000026431677 1041842147 /nfs/dbraw/zinc/84/21/47/1041842147.db2.gz KLBRHRNYFBKIIV-VSMYLPJWSA-N -1 3 316.788 4.184 20 0 DIADHM CC(F)(F)C(=O)[N-][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000815107546 1041919924 /nfs/dbraw/zinc/91/99/24/1041919924.db2.gz BIPSSCBYCBDGGH-GFCCVEGCSA-N -1 3 315.772 4.262 20 0 DIADHM CCCCN(CC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001135338416 1042013919 /nfs/dbraw/zinc/01/39/19/1042013919.db2.gz FUJOGSOQBXFDSD-UHFFFAOYSA-N -1 3 313.397 4.447 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000048652268 1042018369 /nfs/dbraw/zinc/01/83/69/1042018369.db2.gz FYGFONDPDLEABF-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CCn1c2ccccc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000048879692 1042028842 /nfs/dbraw/zinc/02/88/42/1042028842.db2.gz JQUGOXYBRSKZTH-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCc2cscn2)s1 ZINC000748053313 1042034797 /nfs/dbraw/zinc/03/47/97/1042034797.db2.gz CZRKFVAQHARXBA-UHFFFAOYSA-N -1 3 324.431 4.170 20 0 DIADHM C[C@H](CN(C)Cc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC000652409140 1042039725 /nfs/dbraw/zinc/03/97/25/1042039725.db2.gz OOIDFHRCPMNMGA-CYBMUJFWSA-N -1 3 317.816 4.274 20 0 DIADHM CCC(CC)CCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000662038012 1042046515 /nfs/dbraw/zinc/04/65/15/1042046515.db2.gz KOLOVYNXCHIHAA-UHFFFAOYSA-N -1 3 307.463 4.045 20 0 DIADHM CCCN(CCC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001135574826 1042054605 /nfs/dbraw/zinc/05/46/05/1042054605.db2.gz NSRAWCFWCJTWCT-UHFFFAOYSA-N -1 3 313.397 4.447 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(N3CCCC3)c(F)c2)c1F ZINC000816523192 1042064724 /nfs/dbraw/zinc/06/47/24/1042064724.db2.gz GWGZMJQPFXOHGK-UHFFFAOYSA-N -1 3 322.330 4.022 20 0 DIADHM CCc1nc(NC(=O)c2cc3sccc3c([O-])c2)sc1C ZINC001135685118 1042080149 /nfs/dbraw/zinc/08/01/49/1042080149.db2.gz DJAZHYFOUJLQLM-UHFFFAOYSA-N -1 3 318.423 4.187 20 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303.427 4.161 20 0 DIADHM CCc1cccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001170913708 1042157220 /nfs/dbraw/zinc/15/72/20/1042157220.db2.gz AKGQKJNTEKOVRS-UHFFFAOYSA-N -1 3 319.408 4.048 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC(C2CCCCC2)C1 ZINC000819009544 1042164882 /nfs/dbraw/zinc/16/48/82/1042164882.db2.gz MCNQCTACEUGZST-UHFFFAOYSA-N -1 3 315.438 4.259 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2C)C2CC2)c1 ZINC001136180560 1042168211 /nfs/dbraw/zinc/16/82/11/1042168211.db2.gz DEWXWLPOOVQWNR-UHFFFAOYSA-N -1 3 309.409 4.068 20 0 DIADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219251 1042183482 /nfs/dbraw/zinc/18/34/82/1042183482.db2.gz NWONTJNERPOVGR-SECBINFHSA-N -1 3 314.223 4.166 20 0 DIADHM CC(C)(C)C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(F)cc1 ZINC000432334263 1042218069 /nfs/dbraw/zinc/21/80/69/1042218069.db2.gz FXQYQCFBWPODOH-LLVKDONJSA-N -1 3 313.323 4.736 20 0 DIADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(C)cc2[O-])c1C ZINC001136440170 1042247807 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DIADHM O=C(CCCCc1cccc(O)c1)Nc1cc(Cl)ccc1[O-] ZINC001151768115 1047601784 /nfs/dbraw/zinc/60/17/84/1047601784.db2.gz FISITUHWISFDOT-UHFFFAOYSA-N -1 3 319.788 4.103 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(C(F)F)c2)c1 ZINC001152259298 1047609240 /nfs/dbraw/zinc/60/92/40/1047609240.db2.gz YNOSHFROYXUWDB-UHFFFAOYSA-N -1 3 309.287 4.284 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001152806451 1047615627 /nfs/dbraw/zinc/61/56/27/1047615627.db2.gz RGCLWHQWMOBKAD-ZDUSSCGKSA-N -1 3 317.351 4.052 20 0 DIADHM CC(C)c1cccc(NC(=O)c2c([O-])cc3ccccc3c2O)n1 ZINC001154023273 1047638132 /nfs/dbraw/zinc/63/81/32/1047638132.db2.gz RPRFASCVNAHUFR-UHFFFAOYSA-N -1 3 322.364 4.022 20 0 DIADHM Cc1ccc(C(=O)Nc2ncc(C3CCCCC3)s2)c([O-])c1 ZINC001154054519 1047638774 /nfs/dbraw/zinc/63/87/74/1047638774.db2.gz UUTMKKJFACXHSP-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM CCc1cccc(C(=O)N(CC)c2ccc(F)c(C)c2)c1[O-] ZINC001154296286 1047644805 /nfs/dbraw/zinc/64/48/05/1047644805.db2.gz RAZUCNYTGIBEIP-UHFFFAOYSA-N -1 3 301.361 4.069 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]c2c1cccc2Cl ZINC001154981834 1047663618 /nfs/dbraw/zinc/66/36/18/1047663618.db2.gz AVHGVANURMPQRD-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccco3)cc2F)c([O-])c1 ZINC001155585956 1047684730 /nfs/dbraw/zinc/68/47/30/1047684730.db2.gz YDUSFFLYNHSYMM-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(F)c(Cl)c2)c1 ZINC000538517098 1047685094 /nfs/dbraw/zinc/68/50/94/1047685094.db2.gz HLGPPFHDYHVQNT-UHFFFAOYSA-N -1 3 307.752 4.024 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)CC2CCCCC2)c1 ZINC001156033652 1047697190 /nfs/dbraw/zinc/69/71/90/1047697190.db2.gz RSRHGCSYYWVHEF-GFCCVEGCSA-N -1 3 307.459 4.203 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c1[O-] ZINC001156353252 1047707839 /nfs/dbraw/zinc/70/78/39/1047707839.db2.gz QXCYCSBJGCOPBE-KXBFYZLASA-N -1 3 323.436 4.363 20 0 DIADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001156698618 1047720375 /nfs/dbraw/zinc/72/03/75/1047720375.db2.gz LCNNYHBUWPTXBD-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM CC(C)(C)c1nsc([N-]c2cc(F)nc(C(F)(F)F)c2)n1 ZINC001213006262 1047732459 /nfs/dbraw/zinc/73/24/59/1047732459.db2.gz XCJDNDLPXBZPLA-UHFFFAOYSA-N -1 3 320.315 4.132 20 0 DIADHM COc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1[O-] ZINC001157039269 1047733084 /nfs/dbraw/zinc/73/30/84/1047733084.db2.gz NHANOGQKGGIEBN-UHFFFAOYSA-N -1 3 319.360 4.320 20 0 DIADHM C[C@H](CCOc1ccccc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552781577 1047794394 /nfs/dbraw/zinc/79/43/94/1047794394.db2.gz MNXJVJIFANNHBC-GFCCVEGCSA-N -1 3 319.788 4.089 20 0 DIADHM Cc1ccc(SCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552780799 1047794876 /nfs/dbraw/zinc/79/48/76/1047794876.db2.gz PSSWAWLMYPZELT-UHFFFAOYSA-N -1 3 307.802 4.085 20 0 DIADHM CCOc1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000552783240 1047795219 /nfs/dbraw/zinc/79/52/19/1047795219.db2.gz JQMWQVVWYQAGNH-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM [O-]c1cccnc1CNc1cc(Cl)nc2cc(Cl)ccc21 ZINC001158774529 1047798176 /nfs/dbraw/zinc/79/81/76/1047798176.db2.gz MGHBSABPSAWGGU-UHFFFAOYSA-N -1 3 320.179 4.254 20 0 DIADHM CNc1ncc2cc(Nc3ccc(C)c([O-])c3Cl)ccc2n1 ZINC001174534963 1047863109 /nfs/dbraw/zinc/86/31/09/1047863109.db2.gz FYOLFPVNAYCFCM-UHFFFAOYSA-N -1 3 314.776 4.083 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)CC1=CCCCC1 ZINC001159552118 1047868236 /nfs/dbraw/zinc/86/82/36/1047868236.db2.gz WMJBMCUBOPRRFA-UHFFFAOYSA-N -1 3 324.218 4.292 20 0 DIADHM [O-]c1ccc(CNc2ccc(Nc3ccccc3)cn2)cc1F ZINC001182979318 1047877447 /nfs/dbraw/zinc/87/74/47/1047877447.db2.gz UWDPTLJZDCARDV-UHFFFAOYSA-N -1 3 309.344 4.282 20 0 DIADHM COc1cc(Nc2nc3c(cccc3[O-])s2)cc(F)c1F ZINC001174583072 1047894524 /nfs/dbraw/zinc/89/45/24/1047894524.db2.gz KLCFDEJDUMSNRX-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1c([O-])cccc1Cl ZINC001159658140 1047894932 /nfs/dbraw/zinc/89/49/32/1047894932.db2.gz QOIPBJPATVWEIH-ALCCZGGFSA-N -1 3 312.756 4.179 20 0 DIADHM CCC(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1F ZINC001159656529 1047895321 /nfs/dbraw/zinc/89/53/21/1047895321.db2.gz ALJHKDYZGLHOHO-UHFFFAOYSA-N -1 3 321.735 4.030 20 0 DIADHM O=C(CCCCc1cccc(O)c1)Nc1c([O-])cccc1Cl ZINC001159658133 1047895991 /nfs/dbraw/zinc/89/59/91/1047895991.db2.gz QLKXGXGEJKIHNU-UHFFFAOYSA-N -1 3 319.788 4.103 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001198083124 1047924496 /nfs/dbraw/zinc/92/44/96/1047924496.db2.gz MSTQCFIVLJNCIV-UHFFFAOYSA-N -1 3 306.312 4.009 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1ccc(C(F)F)cc1 ZINC001174711679 1047949857 /nfs/dbraw/zinc/94/98/57/1047949857.db2.gz ZTDVTTNMNAFVCV-UHFFFAOYSA-N -1 3 315.117 4.231 20 0 DIADHM CCOc1cc(CNc2cncc(Cl)c2)cc(Cl)c1[O-] ZINC001183834391 1047969860 /nfs/dbraw/zinc/96/98/60/1047969860.db2.gz UPVAJTHXRGHTHI-UHFFFAOYSA-N -1 3 313.184 4.105 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])C1CCC2(CC2)CC1 ZINC001183882595 1047975462 /nfs/dbraw/zinc/97/54/62/1047975462.db2.gz XUNCLBAQAHKYRN-UHFFFAOYSA-N -1 3 324.218 4.064 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC001160127201 1047983469 /nfs/dbraw/zinc/98/34/69/1047983469.db2.gz ZOJLPJKEIIVEBH-IBGZPJMESA-N -1 3 321.420 4.322 20 0 DIADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)nc2ccccc12 ZINC001198604916 1047983681 /nfs/dbraw/zinc/98/36/81/1047983681.db2.gz YGHCDQSNSOQEAN-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM COc1ccc(Nc2cccc([O-])c2Br)cc1C ZINC001174835794 1047988564 /nfs/dbraw/zinc/98/85/64/1047988564.db2.gz VQIOIQPZEXIQOQ-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM O=C([O-])c1ccc(Nc2ccccc2CN2CCCCC2)s1 ZINC001174810082 1047991185 /nfs/dbraw/zinc/99/11/85/1047991185.db2.gz FJNDOIRDJSTTAA-UHFFFAOYSA-N -1 3 316.426 4.176 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@]2(C)CCC(C)=C(C)C2)c1[O-] ZINC001160321316 1048032462 /nfs/dbraw/zinc/03/24/62/1048032462.db2.gz OXFOQHBGGHRECU-GOSISDBHSA-N -1 3 301.386 4.060 20 0 DIADHM Cc1cc2sc(NC(=O)c3c(C)cccc3[O-])nc2c(C)c1 ZINC001160431942 1048049938 /nfs/dbraw/zinc/04/99/38/1048049938.db2.gz IWPAQCROVWJWQW-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2c(C)cccc2C(C)(C)C)n1 ZINC001184573538 1048060027 /nfs/dbraw/zinc/06/00/27/1048060027.db2.gz IGVONHVZHAGDPW-UHFFFAOYSA-N -1 3 313.401 4.346 20 0 DIADHM CCCCOc1ccc(C(=O)NCC(C)(C)CC(C)C)c([O-])c1 ZINC001160928175 1048097225 /nfs/dbraw/zinc/09/72/25/1048097225.db2.gz HUKBAFYMWYTBOD-UHFFFAOYSA-N -1 3 321.461 4.373 20 0 DIADHM Cc1ccc(-c2nc(NC(=O)C(CC(C)C)CC(C)C)n[n-]2)o1 ZINC001160947557 1048099328 /nfs/dbraw/zinc/09/93/28/1048099328.db2.gz CPNZURMAAFGZGO-UHFFFAOYSA-N -1 3 318.421 4.020 20 0 DIADHM O=C(CC1(c2ccc(F)cc2)CCC1)Nc1ccc(F)c([O-])c1 ZINC001184879671 1048100139 /nfs/dbraw/zinc/10/01/39/1048100139.db2.gz KRLSLEMWSRJDPG-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM CCOc1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1F ZINC001175040006 1048103788 /nfs/dbraw/zinc/10/37/88/1048103788.db2.gz YZNGZNNLFOKJFI-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM [O-]c1cc(Cl)c(Nc2cccnc2N2CCCC2)cc1Cl ZINC001184969182 1048107270 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ZINC001175100363 1048116809 /nfs/dbraw/zinc/11/68/09/1048116809.db2.gz QXQMISINMZXKGT-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM COc1ccc(F)c([N-]c2cc(-c3ccccc3)no2)c1F ZINC001175116600 1048124353 /nfs/dbraw/zinc/12/43/53/1048124353.db2.gz XQBUOYYJCZJOFN-UHFFFAOYSA-N -1 3 302.280 4.372 20 0 DIADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001175072256 1048127588 /nfs/dbraw/zinc/12/75/88/1048127588.db2.gz CPQIUGWWCSDEJU-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OC1CCCC1 ZINC000774864027 1048168810 /nfs/dbraw/zinc/16/88/10/1048168810.db2.gz MAMYXKUKEXLLSR-UHFFFAOYSA-N -1 3 322.257 4.368 20 0 DIADHM CCCCCCNC(=S)Nc1ccc(C)c([O-])c1Cl ZINC001200956478 1048170486 /nfs/dbraw/zinc/17/04/86/1048170486.db2.gz DYGBHEYPJDITCD-UHFFFAOYSA-N -1 3 300.855 4.221 20 0 DIADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1OC(C)C ZINC001175191970 1048171313 /nfs/dbraw/zinc/17/13/13/1048171313.db2.gz IDQSRQALPWSBCX-UHFFFAOYSA-N -1 3 323.396 4.417 20 0 DIADHM O=c1cc(Nc2ccc(Cl)c(F)c2)[n-]n1-c1ccccc1 ZINC001175205164 1048176661 /nfs/dbraw/zinc/17/66/61/1048176661.db2.gz BRXXBEZGFHMQAT-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM Cc1ccc(CNC(=O)Nc2c([O-])cccc2C(F)(F)F)cc1 ZINC001185406838 1048179477 /nfs/dbraw/zinc/17/94/77/1048179477.db2.gz ODBVUTSPACJXKQ-UHFFFAOYSA-N -1 3 324.302 4.041 20 0 DIADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C ZINC001175166563 1048179753 /nfs/dbraw/zinc/17/97/53/1048179753.db2.gz IDYRZLWMDKQHGR-UHFFFAOYSA-N -1 3 309.369 4.029 20 0 DIADHM Cc1cc(NC(=S)Nc2ccc(Cl)cc2[O-])ccc1F ZINC001201038423 1048184812 /nfs/dbraw/zinc/18/48/12/1048184812.db2.gz QEZLDKQSPNSTMX-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1C(F)(F)F ZINC000773470260 1048185333 /nfs/dbraw/zinc/18/53/33/1048185333.db2.gz NVZCIEHNRWTDRI-GFCCVEGCSA-N -1 3 323.314 4.309 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1coc2ccccc12 ZINC001203147169 1048188613 /nfs/dbraw/zinc/18/86/13/1048188613.db2.gz NVRNMEYJARFXEP-UHFFFAOYSA-N -1 3 305.131 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3 318.092 4.316 20 0 DIADHM [O-]c1ccc(F)c(Nc2cnc(Cl)c(C(F)(F)F)c2)c1F ZINC001175264008 1048244216 /nfs/dbraw/zinc/24/42/16/1048244216.db2.gz PKLSXSOTVYJTFZ-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccnc3ccc(Cl)cc32)c1F ZINC001175263295 1048244271 /nfs/dbraw/zinc/24/42/71/1048244271.db2.gz RSPLRJIYYBXKHJ-UHFFFAOYSA-N -1 3 306.699 4.038 20 0 DIADHM [O-]c1ccc(F)c(Nc2cnc3c(ccc(F)c3F)c2)c1F ZINC001175266684 1048245910 /nfs/dbraw/zinc/24/59/10/1048245910.db2.gz WWEKSVQTMVAORP-UHFFFAOYSA-N -1 3 308.234 4.240 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(Br)c2)c1F ZINC001175265308 1048246308 /nfs/dbraw/zinc/24/63/08/1048246308.db2.gz KYOQTRUXFWZPMJ-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM [O-]c1ccc(F)c(Nc2c3nsnc3ccc2Cl)c1F ZINC001175268174 1048246572 /nfs/dbraw/zinc/24/65/72/1048246572.db2.gz JIMNXCOGAJQVOA-UHFFFAOYSA-N -1 3 313.716 4.072 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(C(F)(F)F)cc2O)c1F ZINC001175268976 1048247002 /nfs/dbraw/zinc/24/70/02/1048247002.db2.gz 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ZINC001202081612 1048445045 /nfs/dbraw/zinc/44/50/45/1048445045.db2.gz GAWKTDUZQLLSBS-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000555820026 1048448787 /nfs/dbraw/zinc/44/87/87/1048448787.db2.gz GVEGVWSFQAXXRA-AWEZNQCLSA-N -1 3 317.816 4.187 20 0 DIADHM Cc1ccc2c(c1)scc2C(=O)Nc1cccc([O-])c1F ZINC000555859013 1048460745 /nfs/dbraw/zinc/46/07/45/1048460745.db2.gz ALWIOCADWJSOPX-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM CSc1cccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001188019217 1048467207 /nfs/dbraw/zinc/46/72/07/1048467207.db2.gz BGALORHMJXHDGC-UHFFFAOYSA-N -1 3 317.292 4.059 20 0 DIADHM CSc1cccc(NC(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001188024180 1048468992 /nfs/dbraw/zinc/46/89/92/1048468992.db2.gz SXZLPNPSMGCYEY-UHFFFAOYSA-N -1 3 315.354 4.301 20 0 DIADHM Cc1ccccc1NC(=O)Nc1ccc([O-])c(Br)c1 ZINC001202186339 1048475002 /nfs/dbraw/zinc/47/50/02/1048475002.db2.gz ZQLKZWHHBSJWNM-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1c1cccs1 ZINC001142657253 1048497931 /nfs/dbraw/zinc/49/79/31/1048497931.db2.gz SFBVPNAXKNVKFD-CQSZACIVSA-N -1 3 321.829 4.437 20 0 DIADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1cccc(Cl)c1 ZINC001202237104 1048499620 /nfs/dbraw/zinc/49/96/20/1048499620.db2.gz AEUWLLWTIPIVCO-UHFFFAOYSA-N -1 3 319.773 4.299 20 0 DIADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc2ccccc2c1 ZINC001188580972 1048531079 /nfs/dbraw/zinc/53/10/79/1048531079.db2.gz BKAAGVYVSZIXGO-UHFFFAOYSA-N -1 3 321.258 4.491 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1c(Cl)ccc2ncccc21 ZINC001188649298 1048533599 /nfs/dbraw/zinc/53/35/99/1048533599.db2.gz WZYIPFKKHJBZGB-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001188638896 1048540857 /nfs/dbraw/zinc/54/08/57/1048540857.db2.gz RYNOVNIIMYINOU-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM COc1ccc(NC(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001202392833 1048547520 /nfs/dbraw/zinc/54/75/20/1048547520.db2.gz OZGQIWUMZVGUMN-UHFFFAOYSA-N -1 3 306.749 4.007 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001202431957 1048559011 /nfs/dbraw/zinc/55/90/11/1048559011.db2.gz MNXCLRGIJBIXLO-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM Cc1ccccc1OCCCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001163978282 1048562955 /nfs/dbraw/zinc/56/29/55/1048562955.db2.gz WCAFUIWJWQLVJC-UHFFFAOYSA-N -1 3 312.438 4.171 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(-c2ccccc2)[nH]1 ZINC001189020261 1048581973 /nfs/dbraw/zinc/58/19/73/1048581973.db2.gz HWWUEQIHVZBXCV-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM Fc1ccc2nc([N-]c3cnn(Cc4cccs4)c3)oc2c1 ZINC001176157397 1048595077 /nfs/dbraw/zinc/59/50/77/1048595077.db2.gz MQFMWLICHHCLGW-UHFFFAOYSA-N -1 3 314.345 4.017 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)SCc2ccccc2C2CC2)n1 ZINC001189145878 1048595548 /nfs/dbraw/zinc/59/55/48/1048595548.db2.gz KTDUKRJVOPPAKX-LBPRGKRZSA-N -1 3 300.427 4.362 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnn(Cc2cccs2)c1 ZINC001176160838 1048598869 /nfs/dbraw/zinc/59/88/69/1048598869.db2.gz 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/nfs/dbraw/zinc/64/92/87/1048649287.db2.gz KFHXKEKHPZYCQL-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM Oc1ccccc1-c1cc([N-]c2c(F)cc(F)c(F)c2F)on1 ZINC001176349522 1048655832 /nfs/dbraw/zinc/65/58/32/1048655832.db2.gz JNQNHQWTECSSLC-UHFFFAOYSA-N -1 3 324.233 4.347 20 0 DIADHM CCc1cccc(C)c1NC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001189982181 1048685151 /nfs/dbraw/zinc/68/51/51/1048685151.db2.gz QOUDWJAQHNIFCW-UHFFFAOYSA-N -1 3 312.369 4.110 20 0 DIADHM Cc1ccccc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001165562980 1048698035 /nfs/dbraw/zinc/69/80/35/1048698035.db2.gz XBDPSKMHTZEENF-UHFFFAOYSA-N -1 3 308.406 4.450 20 0 DIADHM [O-]c1c(F)cc(Nc2cccc(OC(F)(F)F)c2)cc1F ZINC001176541426 1048714334 /nfs/dbraw/zinc/71/43/34/1048714334.db2.gz YFWAJJXCSCSSGI-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500730 1048742863 /nfs/dbraw/zinc/74/28/63/1048742863.db2.gz YDKZTXUXYYTQBV-UHFFFAOYSA-N -1 3 315.438 4.317 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C 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Cc1ccc(Cl)c(NC(=O)Nc2ncc([O-])cc2Cl)c1 ZINC001191682976 1048983700 /nfs/dbraw/zinc/98/37/00/1048983700.db2.gz HXFOZPSSNITKBS-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2ccccc2C(C)C)c1[O-] ZINC001192259083 1049069008 /nfs/dbraw/zinc/06/90/08/1049069008.db2.gz COOVOJXQLSJTRK-UHFFFAOYSA-N -1 3 312.369 4.362 20 0 DIADHM O=C([O-])c1ccc(CN2CCCC[C@H]2c2ccccc2F)cc1 ZINC001204154385 1049097420 /nfs/dbraw/zinc/09/74/20/1049097420.db2.gz HHSTVHMBNXANTI-SFHVURJKSA-N -1 3 313.372 4.251 20 0 DIADHM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccc2Cl)cc1 ZINC001204154575 1049098392 /nfs/dbraw/zinc/09/83/92/1049098392.db2.gz LQSIJKMNPJIWCU-KRWDZBQOSA-N -1 3 315.800 4.375 20 0 DIADHM CCCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000857433204 1049146459 /nfs/dbraw/zinc/14/64/59/1049146459.db2.gz XYSZZFHLXIMVTK-UHFFFAOYSA-N -1 3 315.388 4.445 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1ncoc1C(C)C ZINC000857638120 1049186277 /nfs/dbraw/zinc/18/62/77/1049186277.db2.gz PJAXOAVAILPKBX-UHFFFAOYSA-N -1 3 310.806 4.426 20 0 DIADHM Cc1cnc([N-]c2c(F)c(F)c(OC(C)C)c(F)c2F)o1 ZINC001193292541 1049194232 /nfs/dbraw/zinc/19/42/32/1049194232.db2.gz WSHYGFDKWKSDFQ-UHFFFAOYSA-N -1 3 304.243 4.070 20 0 DIADHM [O-]c1ccc(CN(Cc2ccc(F)cc2)CC2CC2)c(F)c1F ZINC001204651226 1049211732 /nfs/dbraw/zinc/21/17/32/1049211732.db2.gz MRKRRCLFGAVNHC-UHFFFAOYSA-N -1 3 321.342 4.222 20 0 DIADHM Cc1cccc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)c1 ZINC001204657379 1049213223 /nfs/dbraw/zinc/21/32/23/1049213223.db2.gz DSQXVFJPCJHVIX-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM C[C@@H](CC(=O)[O-])NCc1c(Cl)cccc1Oc1ccccc1 ZINC000485380622 1049232448 /nfs/dbraw/zinc/23/24/48/1049232448.db2.gz IPZSVSYOVMPGMQ-LBPRGKRZSA-N -1 3 319.788 4.085 20 0 DIADHM CC1(C)CN(Cc2cccc([O-])c2Cl)Cc2ccccc21 ZINC001179957402 1049248786 /nfs/dbraw/zinc/24/87/86/1049248786.db2.gz NOSOPTRJEVJZFW-UHFFFAOYSA-N -1 3 301.817 4.339 20 0 DIADHM O=C(OCc1ccc(CF)cc1)c1cc(Cl)c(Cl)[n-]1 ZINC000777058343 1049292619 /nfs/dbraw/zinc/29/26/19/1049292619.db2.gz CWNMEMYSEAIRTM-UHFFFAOYSA-N -1 3 302.132 4.148 20 0 DIADHM Cc1nc(-c2ccc([O-])cc2C(F)(F)F)nc2ccccc12 ZINC001205066316 1049361202 /nfs/dbraw/zinc/36/12/02/1049361202.db2.gz KYILZNCQABZXLS-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM Cc1nc(C2CC2)nc(-c2ccc([O-])cc2C(F)(F)F)c1F ZINC001205080446 1049366797 /nfs/dbraw/zinc/36/67/97/1049366797.db2.gz ZTUSWHISUUBLMZ-UHFFFAOYSA-N -1 3 312.266 4.193 20 0 DIADHM Cc1ccc(OC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001194457694 1049374224 /nfs/dbraw/zinc/37/42/24/1049374224.db2.gz AIIGRWFTHSGYTM-UHFFFAOYSA-N -1 3 322.158 4.074 20 0 DIADHM CC(C)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486000880 1049374342 /nfs/dbraw/zinc/37/43/42/1049374342.db2.gz NINXCGBSTWQWCW-YVMONPNESA-N -1 3 317.392 4.126 20 0 DIADHM CC(C)(C)c1coc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001180596448 1049388156 /nfs/dbraw/zinc/38/81/56/1049388156.db2.gz QXVZVMUWKWVPSS-UHFFFAOYSA-N -1 3 316.382 4.145 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1C ZINC000907437163 1049410213 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C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000774091457 1049596238 /nfs/dbraw/zinc/59/62/38/1049596238.db2.gz VJASXONKSFTEJD-GFCCVEGCSA-N -1 3 311.406 4.140 20 0 DIADHM CCOc1ccc(Cl)c(NCc2c(F)ccc([O-])c2F)c1 ZINC001205907529 1049598255 /nfs/dbraw/zinc/59/82/55/1049598255.db2.gz IYTJRTBYWGNXIG-UHFFFAOYSA-N -1 3 313.731 4.335 20 0 DIADHM CCOc1ccc(-c2ccc(-c3ccc([O-])cc3F)nn2)cc1 ZINC001206044661 1049639141 /nfs/dbraw/zinc/63/91/41/1049639141.db2.gz RCWIDQIKPWUHBZ-UHFFFAOYSA-N -1 3 310.328 4.054 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc([O-])cc1F ZINC001206073347 1049647463 /nfs/dbraw/zinc/64/74/63/1049647463.db2.gz VJTOASYROPGJCD-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1ccc(-c2ccc(O[C@@H]3CCCCO3)cc2F)c(F)c1 ZINC001206089070 1049650499 /nfs/dbraw/zinc/65/04/99/1049650499.db2.gz UMOTUTADIMLTOZ-QGZVFWFLSA-N -1 3 306.308 4.243 20 0 DIADHM CCN(CC)Cc1ccc(-c2csc(C(=O)[O-])c2)cc1F ZINC001206302848 1049704716 /nfs/dbraw/zinc/70/47/16/1049704716.db2.gz CXLFLBQIQQMPLR-UHFFFAOYSA-N -1 3 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[O-]c1ccc(Nc2cc(O)cc(C(F)(F)F)c2)c(F)c1F ZINC001210825392 1050382461 /nfs/dbraw/zinc/38/24/61/1050382461.db2.gz HBYJTVTYJWUSFK-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1nccc(Br)c1Nc1cccc([O-])c1Cl ZINC001210852028 1050390702 /nfs/dbraw/zinc/39/07/02/1050390702.db2.gz SHPUJPLZCXIZMJ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc(Nc2cc(F)cnc2Br)c1Cl ZINC001210851852 1050389984 /nfs/dbraw/zinc/38/99/84/1050389984.db2.gz NXJRTQYJPTTXIH-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Cl)n(C(=O)OC(C)(C)C)n1 ZINC001210844297 1050390517 /nfs/dbraw/zinc/39/05/17/1050390517.db2.gz CNYOYQZAIURWGP-UHFFFAOYSA-N -1 3 323.780 4.077 20 0 DIADHM [O-]c1cccc(Nc2ccnn2Cc2cccc(F)c2)c1Cl ZINC001210851704 1050390592 /nfs/dbraw/zinc/39/05/92/1050390592.db2.gz GTVDXLLEXGYDAF-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM Cc1ccc(Br)c(Nc2cccc([O-])c2Cl)n1 ZINC001210844312 1050391408 /nfs/dbraw/zinc/39/14/08/1050391408.db2.gz DAGLCXAAFLYXHQ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COC(=O)c1ccc(Cl)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854983 1050392429 /nfs/dbraw/zinc/39/24/29/1050392429.db2.gz GVKUUIPNLNEPAZ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc([O-])c1Cl ZINC001210855424 1050392551 /nfs/dbraw/zinc/39/25/51/1050392551.db2.gz MOIRINIYTVMSHI-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM [O-]c1cccc(Nc2ccc(Oc3ncccn3)cc2)c1Cl ZINC001210854264 1050393389 /nfs/dbraw/zinc/39/33/89/1050393389.db2.gz LETILGSOMQLNIQ-UHFFFAOYSA-N -1 3 313.744 4.372 20 0 DIADHM Nc1ccc(OC(F)(F)F)c(Nc2cccc([O-])c2Cl)c1 ZINC001210860539 1050395413 /nfs/dbraw/zinc/39/54/13/1050395413.db2.gz XGOROHWBOKFRBI-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM CC1(C)CC(=O)Nc2c(Nc3cccc([O-])c3Cl)cccc21 ZINC001210859788 1050395738 /nfs/dbraw/zinc/39/57/38/1050395738.db2.gz OKYPMHXKCUHOGG-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM O=C(/C=C\C1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000735463130 1050399381 /nfs/dbraw/zinc/39/93/81/1050399381.db2.gz CKVQJYGOHFUUMC-TWGQIWQCSA-N -1 3 324.218 4.230 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(N(C)C(C)C)c2)c([O-])c1 ZINC001143980854 1050426735 /nfs/dbraw/zinc/42/67/35/1050426735.db2.gz KTPSXWZHJAHUFT-UHFFFAOYSA-N -1 3 312.413 4.052 20 0 DIADHM CC[C@@]1(C)CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000574331592 1050440641 /nfs/dbraw/zinc/44/06/41/1050440641.db2.gz GWRVIXNWRLGLJJ-ZBFHGGJFSA-N -1 3 313.800 4.117 20 0 DIADHM O=C(OCc1cccnc1Cl)c1cc2sccc2c([O-])c1 ZINC000786132946 1050456291 /nfs/dbraw/zinc/45/62/91/1050456291.db2.gz YIPGRBSJWAWUNP-UHFFFAOYSA-N -1 3 319.769 4.012 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)NC1CCCCCCC1 ZINC000786686600 1050505840 /nfs/dbraw/zinc/50/58/40/1050505840.db2.gz DUQDTWYRUCEZTK-UHFFFAOYSA-N -1 3 307.409 4.083 20 0 DIADHM Cc1ccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000786802641 1050521221 /nfs/dbraw/zinc/52/12/21/1050521221.db2.gz YSBKWXQUFOXOPR-UHFFFAOYSA-N -1 3 315.388 4.134 20 0 DIADHM Clc1ccc2oc([N-]c3cnccc3Br)nc2c1 ZINC001211221187 1050524391 /nfs/dbraw/zinc/52/43/91/1050524391.db2.gz 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/nfs/dbraw/zinc/69/08/75/1051690875.db2.gz ZAHNQMUZOVUYSH-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM COC(=O)[C@H](C)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212595064 1051704746 /nfs/dbraw/zinc/70/47/46/1051704746.db2.gz FPLRVTULUCNISM-SNVBAGLBSA-N -1 3 305.761 4.066 20 0 DIADHM CCOc1cc(C)c(C)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216376281 1051730400 /nfs/dbraw/zinc/73/04/00/1051730400.db2.gz MXMNASMVYUWJAS-UHFFFAOYSA-N -1 3 323.396 4.337 20 0 DIADHM CC(=O)c1cc(Nc2ccc([O-])cc2Cl)cc(C(C)=O)c1 ZINC001216430628 1051762535 /nfs/dbraw/zinc/76/25/35/1051762535.db2.gz RPOHRBGGKJGMKD-UHFFFAOYSA-N -1 3 303.745 4.194 20 0 DIADHM Cc1ccc2cccc(-c3noc(-c4c(C)cccc4[O-])n3)c2n1 ZINC001216536821 1051810557 /nfs/dbraw/zinc/81/05/57/1051810557.db2.gz QWKWSUXILXXIDK-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001216536298 1051811136 /nfs/dbraw/zinc/81/11/36/1051811136.db2.gz HKXXCGBKFSRJER-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001216536645 1051811732 /nfs/dbraw/zinc/81/17/32/1051811732.db2.gz OVRPDNFMMKATHR-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1nnc([N-]c2cccc(OCc3cccc(Cl)c3)c2)o1 ZINC001216572258 1051821082 /nfs/dbraw/zinc/82/10/82/1051821082.db2.gz GJRZVOHMISJOGC-UHFFFAOYSA-N -1 3 315.760 4.354 20 0 DIADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C)cc1[O-] ZINC000220095972 1051823254 /nfs/dbraw/zinc/82/32/54/1051823254.db2.gz YXNDVZBMLCQYGX-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CCn1ncc2cc(Nc3nc4c(cccc4[O-])s3)ccc21 ZINC001216588135 1051827862 /nfs/dbraw/zinc/82/78/62/1051827862.db2.gz APXGZMXZAZMNNF-UHFFFAOYSA-N -1 3 310.382 4.115 20 0 DIADHM COc1ccc(Nc2cccc([O-])c2Br)cc1F ZINC001173865539 1051837521 /nfs/dbraw/zinc/83/75/21/1051837521.db2.gz POWYEVGCDSDONH-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(Cl)cc1 ZINC000187583713 1051851137 /nfs/dbraw/zinc/85/11/37/1051851137.db2.gz QFCREZIQWKYYDE-GFCCVEGCSA-N -1 3 310.806 4.093 20 0 DIADHM Cc1ccc(Nc2ccn(C(=O)OC(C)(C)C)n2)c(Cl)c1[O-] ZINC001216674201 1051858863 /nfs/dbraw/zinc/85/88/63/1051858863.db2.gz KGZAHADAYCNHCE-UHFFFAOYSA-N -1 3 323.780 4.077 20 0 DIADHM CCOc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1 ZINC001216702604 1051865870 /nfs/dbraw/zinc/86/58/70/1051865870.db2.gz XITIKMVCFSRTFS-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1F ZINC001216895306 1051902186 /nfs/dbraw/zinc/90/21/86/1051902186.db2.gz LTEMSXBLCRYCQM-UHFFFAOYSA-N -1 3 320.270 4.143 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4occc4c3)no2)cc1F ZINC001216895664 1051904046 /nfs/dbraw/zinc/90/40/46/1051904046.db2.gz YDFIUVNIBDTQHI-UHFFFAOYSA-N -1 3 310.284 4.303 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccccc3Cl)no2)c1[O-] ZINC001216956605 1051916316 /nfs/dbraw/zinc/91/63/16/1051916316.db2.gz NIMKXLPXPGTPJM-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001217084989 1051948952 /nfs/dbraw/zinc/94/89/52/1051948952.db2.gz CQVGFOWDTRBJTJ-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1c(Cl)cccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217136510 1051972425 /nfs/dbraw/zinc/97/24/25/1051972425.db2.gz CGWCLSSACSSGJV-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM [O-]c1cccc(Nc2cncc3ccccc32)c1Br ZINC001174103388 1051977313 /nfs/dbraw/zinc/97/73/13/1051977313.db2.gz JPFVMNOQIGOWKD-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM Clc1ccc2oc([N-]c3cnn(Cc4ccccc4)c3)nc2c1 ZINC001174131885 1052009480 /nfs/dbraw/zinc/00/94/80/1052009480.db2.gz VMCSERWHMWWBDU-UHFFFAOYSA-N -1 3 324.771 4.470 20 0 DIADHM CCCCNC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174192374 1052041270 /nfs/dbraw/zinc/04/12/70/1052041270.db2.gz NRAAQXBCGLAZRX-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM Cc1ccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c(F)c1 ZINC001217441922 1052056503 /nfs/dbraw/zinc/05/65/03/1052056503.db2.gz RXKXVOWAWYCHEC-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(-c2noc(-c3c([O-])cc4ccccc4c3O)n2)cc1 ZINC001217452640 1052060391 /nfs/dbraw/zinc/06/03/91/1052060391.db2.gz GUYCNJBOGSVTSY-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM C=CC(=O)Nc1cccc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214565105 1052065503 /nfs/dbraw/zinc/06/55/03/1052065503.db2.gz YCYYOTAYEQBOJQ-UHFFFAOYSA-N -1 3 306.724 4.053 20 0 DIADHM Cc1ccc(F)cc1-c1noc(-c2ccc([O-])c3ncccc23)n1 ZINC001217492550 1052074117 /nfs/dbraw/zinc/07/41/17/1052074117.db2.gz GQQDXMWHUDUHFU-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nc(-c4ccccc4F)no3)c2c1 ZINC001217500387 1052074363 /nfs/dbraw/zinc/07/43/63/1052074363.db2.gz FMRCYJZEMOETNB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c(C)c1 ZINC001217492556 1052074433 /nfs/dbraw/zinc/07/44/33/1052074433.db2.gz GZPZVVWIFYMPSF-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c2cccnc12 ZINC001217491719 1052074639 /nfs/dbraw/zinc/07/46/39/1052074639.db2.gz HEMJWPKRTPEUAT-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM CC(C)(C)OC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1 ZINC001174425891 1052156044 /nfs/dbraw/zinc/15/60/44/1052156044.db2.gz IHGOKUOWVMMBIB-UHFFFAOYSA-N -1 3 317.389 4.066 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174426131 1052156079 /nfs/dbraw/zinc/15/60/79/1052156079.db2.gz PWTXMTPZOPEESE-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM CC(C)(C)c1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC000683176159 1052252265 /nfs/dbraw/zinc/25/22/65/1052252265.db2.gz IPXKXHAJSSZBTP-UHFFFAOYSA-N -1 3 303.427 4.034 20 0 DIADHM Cc1ccc2c(Cc3noc(-c4ccc(C)cc4[O-])n3)c[nH]c2c1 ZINC000761901282 1052270583 /nfs/dbraw/zinc/27/05/83/1052270583.db2.gz OKNIIEPJMKCXPE-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM CCOc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1C ZINC000303653992 1052337334 /nfs/dbraw/zinc/33/73/34/1052337334.db2.gz USEILZIYOIQESD-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000233251595 1052358746 /nfs/dbraw/zinc/35/87/46/1052358746.db2.gz SDEUDHRHBWYCHL-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc([O-])c(F)c1 ZINC000316170587 1052363814 /nfs/dbraw/zinc/36/38/14/1052363814.db2.gz MMSFFBJWRKVTLS-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM FC(F)(F)[C@H](Nc1ccc2c(c1)[N-]C(=S)C2)c1ccccn1 ZINC001168491726 1052402205 /nfs/dbraw/zinc/40/22/05/1052402205.db2.gz PRJQAMQIGBFCMV-CQSZACIVSA-N -1 3 323.343 4.093 20 0 DIADHM O=C(Nc1cccc2c1CCCC2)c1cc([O-])ccc1Cl ZINC000236609996 1052427044 /nfs/dbraw/zinc/42/70/44/1052427044.db2.gz WPNBBXHLHMJDDU-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM CCCc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000026836426 1052498618 /nfs/dbraw/zinc/49/86/18/1052498618.db2.gz BDEFHGICUMSPOY-UHFFFAOYSA-N -1 3 321.789 4.143 20 0 DIADHM CC[C@@H](SCc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000763207529 1052541308 /nfs/dbraw/zinc/54/13/08/1052541308.db2.gz AXWRLPZXVIBJOB-CYBMUJFWSA-N -1 3 310.369 4.153 20 0 DIADHM O=C(CCc1ccsc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125390873 1052648232 /nfs/dbraw/zinc/64/82/32/1052648232.db2.gz KBYMVGXAHVNJNV-UHFFFAOYSA-N -1 3 315.316 4.044 20 0 DIADHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccccc1Cl ZINC000154219568 1052664932 /nfs/dbraw/zinc/66/49/32/1052664932.db2.gz PHVIXIVOQBLXBL-LEKRSAHOSA-N -1 3 324.207 4.026 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)c([O-])c1 ZINC000917355152 1052722448 /nfs/dbraw/zinc/72/24/48/1052722448.db2.gz UKPAISFFJXGFOV-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM O=C(CCc1ccc2ccccc2c1)[N-]OCc1ccccc1 ZINC000917394013 1052723626 /nfs/dbraw/zinc/72/36/26/1052723626.db2.gz XTPUTSSFIQXUNJ-UHFFFAOYSA-N -1 3 305.377 4.020 20 0 DIADHM CC(C)Oc1cc(F)c(F)cc1Nc1cc([O-])c(F)cc1F ZINC001212227511 1052726348 /nfs/dbraw/zinc/72/63/48/1052726348.db2.gz NXIHUJIVXXGCMH-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000128672804 1052741551 /nfs/dbraw/zinc/74/15/51/1052741551.db2.gz PWBHTMWPUQASSS-DTWKUNHWSA-N -1 3 323.726 4.066 20 0 DIADHM CCCCc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128741101 1052748841 /nfs/dbraw/zinc/74/88/41/1052748841.db2.gz HDIHXBPJQRJARK-UHFFFAOYSA-N -1 3 301.361 4.055 20 0 DIADHM CC(C)(C)c1nnc([N-]c2ccnc(Cl)c2Cl)s1 ZINC001212229843 1052756110 /nfs/dbraw/zinc/75/61/10/1052756110.db2.gz IEIMGLZTVOIALP-UHFFFAOYSA-N -1 3 303.218 4.281 20 0 DIADHM [O-]c1c(F)cc(CN2CCC(Cc3ccccc3)CC2)cc1F ZINC000321955229 1052787462 /nfs/dbraw/zinc/78/74/62/1052787462.db2.gz YXSVPRXVLNQHDW-UHFFFAOYSA-N -1 3 317.379 4.125 20 0 DIADHM CC[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000129621365 1052798957 /nfs/dbraw/zinc/79/89/57/1052798957.db2.gz GKHSNIWVCORGTP-LBPRGKRZSA-N -1 3 317.360 4.062 20 0 DIADHM Cc1ccc(SCCC(=O)Nc2cccc([O-])c2F)cc1C ZINC000129664954 1052800684 /nfs/dbraw/zinc/80/06/84/1052800684.db2.gz NBXINOMPFMQQGL-UHFFFAOYSA-N -1 3 319.401 4.269 20 0 DIADHM CCC[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225576820 1052804166 /nfs/dbraw/zinc/80/41/66/1052804166.db2.gz MPTDGTAMLCKKED-LBPRGKRZSA-N -1 3 312.291 4.121 20 0 DIADHM Cc1cnc(=S)[n-]c1OC(c1ccccc1)c1ccccc1 ZINC001225739343 1052824442 /nfs/dbraw/zinc/82/44/42/1052824442.db2.gz PMODKDPLNJJIPD-UHFFFAOYSA-N -1 3 308.406 4.242 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccccc3F)n[n-]2)o1 ZINC000919323839 1052863070 /nfs/dbraw/zinc/86/30/70/1052863070.db2.gz BRKJQFHQUKERCF-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccccc3F)[n-]n2)o1 ZINC000919323839 1052863073 /nfs/dbraw/zinc/86/30/73/1052863073.db2.gz BRKJQFHQUKERCF-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919324400 1052863465 /nfs/dbraw/zinc/86/34/65/1052863465.db2.gz HQMLASJAIWEBKF-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919324400 1052863469 /nfs/dbraw/zinc/86/34/69/1052863469.db2.gz HQMLASJAIWEBKF-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001226119214 1052870540 /nfs/dbraw/zinc/87/05/40/1052870540.db2.gz LOLLJYQERQAOQJ-CQSZACIVSA-N -1 3 318.829 4.362 20 0 DIADHM CC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1cccc(F)c1C ZINC001226481087 1052900976 /nfs/dbraw/zinc/90/09/76/1052900976.db2.gz CLOZJWSJMDHLMP-INIZCTEOSA-N -1 3 318.344 4.278 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cccc(Cl)c2)c1O ZINC001226483564 1052901076 /nfs/dbraw/zinc/90/10/76/1052901076.db2.gz WFHMNBMOPHKNLU-SNVBAGLBSA-N -1 3 306.745 4.094 20 0 DIADHM C[C@H](Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CC1 ZINC001226488235 1052901867 /nfs/dbraw/zinc/90/18/67/1052901867.db2.gz CMXSGSDXDIWIFN-LBPRGKRZSA-N -1 3 322.360 4.343 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531687 1052907827 /nfs/dbraw/zinc/90/78/27/1052907827.db2.gz DXHUMPOBOOKJRW-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM CC(C)=CCC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531327 1052907838 /nfs/dbraw/zinc/90/78/38/1052907838.db2.gz ACQSNFVVDBYTAH-CYBMUJFWSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1ccc([C@@H](C)Oc2cc3c(C)cc(=O)oc3cc2[O-])cc1 ZINC001226531857 1052907891 /nfs/dbraw/zinc/90/78/91/1052907891.db2.gz IGIUOCPMLRKKRA-CYBMUJFWSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(O[C@H](C)c2cccc(C(F)(F)F)c2)[n-]c(=S)n1 ZINC001226802256 1052932431 /nfs/dbraw/zinc/93/24/31/1052932431.db2.gz UJDLYYFJVRYVJW-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM Cc1cc(O[C@@H](C)c2cc3ccccc3s2)[n-]c(=S)n1 ZINC001226800116 1052932613 /nfs/dbraw/zinc/93/26/13/1052932613.db2.gz DIUHSVAKNJEIQE-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1cc(Cl)ccc1Cl ZINC001226940055 1052947072 /nfs/dbraw/zinc/94/70/72/1052947072.db2.gz MXMQJFSQCVNJNG-SSDOTTSWSA-N -1 3 301.198 4.212 20 0 DIADHM O=c1ccc(O[C@H](c2ccccc2)c2cccc(Cl)c2)n[n-]1 ZINC001227094506 1052960780 /nfs/dbraw/zinc/96/07/80/1052960780.db2.gz GQHFLORKUDQFHJ-QGZVFWFLSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1cc(O[C@H](c2ccccc2)C2CC2)[n-]c(C(F)(F)F)c1 ZINC001227586243 1053002567 /nfs/dbraw/zinc/00/25/67/1053002567.db2.gz KEXKZWHSRLIRMZ-OAHLLOKOSA-N -1 3 309.287 4.336 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1F ZINC001227585490 1053002727 /nfs/dbraw/zinc/00/27/27/1053002727.db2.gz CRSVVDDUFQNUTR-MRVPVSSYSA-N -1 3 301.239 4.085 20 0 DIADHM COC(=O)c1c(C)cc(Nc2ccc([O-])c(Cl)c2)cc1C ZINC001213123677 1053030984 /nfs/dbraw/zinc/03/09/84/1053030984.db2.gz BWLNKTAUWAXQOO-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1cc(-c2ccccc2)no1 ZINC001227982338 1053033478 /nfs/dbraw/zinc/03/34/78/1053033478.db2.gz CJKFPCAUKXLYKZ-SNVBAGLBSA-N -1 3 316.744 4.236 20 0 DIADHM C[C@H](Cc1ccco1)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154079 1053048060 /nfs/dbraw/zinc/04/80/60/1053048060.db2.gz IZEHVKUWSOYQLN-CQSZACIVSA-N -1 3 322.360 4.226 20 0 DIADHM Cc1nc(Cl)sc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180357684 1053054791 /nfs/dbraw/zinc/05/47/91/1053054791.db2.gz SGXRSJQHHZGSJS-UHFFFAOYSA-N -1 3 323.151 4.289 20 0 DIADHM Cc1ccc([C@@H](C)Oc2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC001228622974 1053147479 /nfs/dbraw/zinc/14/74/79/1053147479.db2.gz NRXXCXAFVLXCDD-CYBMUJFWSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001228622835 1053147794 /nfs/dbraw/zinc/14/77/94/1053147794.db2.gz MPOISDHWQTZUOT-DMDPSCGWSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1ccc(F)cc1 ZINC001228622488 1053148017 /nfs/dbraw/zinc/14/80/17/1053148017.db2.gz JKHQGJBLLARSKT-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM CCC1CCC(Oc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001228623608 1053149751 /nfs/dbraw/zinc/14/97/51/1053149751.db2.gz SRYVRMBGILTACN-UHFFFAOYSA-N -1 3 302.370 4.155 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000323624360 1053157363 /nfs/dbraw/zinc/15/73/63/1053157363.db2.gz UVUBXCFDDZLKCG-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM CCOc1ccc([C@H](C)Oc2cc3c(cc2[O-])CCC3=O)cc1 ZINC001228853799 1053192659 /nfs/dbraw/zinc/19/26/59/1053192659.db2.gz KYNKTKSESZIFRM-LBPRGKRZSA-N -1 3 312.365 4.060 20 0 DIADHM CC[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1F ZINC001228854749 1053194227 /nfs/dbraw/zinc/19/42/27/1053194227.db2.gz VTCSVEKUBGYJEP-KRWDZBQOSA-N -1 3 300.329 4.190 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@H]3Cc4cccc5cccc3c45)cc21 ZINC001228859700 1053194719 /nfs/dbraw/zinc/19/47/19/1053194719.db2.gz ZGUBCLMZIKJGIR-IBGZPJMESA-N -1 3 316.356 4.351 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ncccc1F ZINC001360182227 1053195729 /nfs/dbraw/zinc/19/57/29/1053195729.db2.gz IUYYMWLTWNNJTC-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM Cc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000617919214 1053210700 /nfs/dbraw/zinc/21/07/00/1053210700.db2.gz JUTVHRLDYBEWHG-KRWDZBQOSA-N -1 3 311.381 4.051 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)COC(C)(C)C ZINC001228958096 1053213461 /nfs/dbraw/zinc/21/34/61/1053213461.db2.gz HYFCZXCTIPEMOQ-LBPRGKRZSA-N -1 3 308.418 4.301 20 0 DIADHM CC[C@@H](C)CC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097801 1053246365 /nfs/dbraw/zinc/24/63/65/1053246365.db2.gz XVSMOKMWRBGTQE-NXEZZACHSA-N -1 3 317.223 4.454 20 0 DIADHM CCC1CCC(Oc2cc(O)cc([O-])c2Br)CC1 ZINC001229097775 1053246428 /nfs/dbraw/zinc/24/64/28/1053246428.db2.gz WXZNGWLTSOWPAK-UHFFFAOYSA-N -1 3 315.207 4.208 20 0 DIADHM Cc1ccc2[nH]c(C(=O)Nc3cccc([O-])c3F)c(Cl)c2c1 ZINC001319584398 1053252797 /nfs/dbraw/zinc/25/27/97/1053252797.db2.gz WICJCLWVCKJPSA-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1c(F)cccc1F ZINC000252007837 1053253605 /nfs/dbraw/zinc/25/36/05/1053253605.db2.gz PWSQOAFZMXCGKA-UHFFFAOYSA-N -1 3 320.320 4.242 20 0 DIADHM [O-]c1cccc(O[C@H](c2cccnc2)C2CC2)c1Br ZINC001229140836 1053257048 /nfs/dbraw/zinc/25/70/48/1053257048.db2.gz GKRJLEIFBNCJAZ-HNNXBMFYSA-N -1 3 320.186 4.080 20 0 DIADHM CCCC(=O)[C@H](CCC)Oc1cccc([O-])c1Br ZINC001229139951 1053257784 /nfs/dbraw/zinc/25/77/84/1053257784.db2.gz PCUDHLHIKQWDPV-LBPRGKRZSA-N -1 3 315.207 4.071 20 0 DIADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)c1ccc(F)cc1 ZINC001229563547 1053354311 /nfs/dbraw/zinc/35/43/11/1053354311.db2.gz BWYLIVKZRJYZIS-QMMMGPOBSA-N -1 3 306.387 4.259 20 0 DIADHM Cc1ccc([C@@H](C)Oc2nc(=S)[n-]c3sccc32)cc1 ZINC001229570057 1053355130 /nfs/dbraw/zinc/35/51/30/1053355130.db2.gz NNQRXIOAPLLVJQ-SNVBAGLBSA-N -1 3 302.424 4.428 20 0 DIADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)c1ccc(F)c(F)c1 ZINC001229571048 1053356767 /nfs/dbraw/zinc/35/67/67/1053356767.db2.gz ZFQIBDLDYBFOKQ-ZETCQYMHSA-N -1 3 324.377 4.398 20 0 DIADHM CCCC[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229954564 1053438331 /nfs/dbraw/zinc/43/83/31/1053438331.db2.gz MHPQZJBMCGPSLU-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229954564 1053438339 /nfs/dbraw/zinc/43/83/39/1053438339.db2.gz MHPQZJBMCGPSLU-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263346641 1053612067 /nfs/dbraw/zinc/61/20/67/1053612067.db2.gz OTJCQFPAEZWSFY-GMTAPVOTSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001300350282 1053620126 /nfs/dbraw/zinc/62/01/26/1053620126.db2.gz RFAUNPHJEOJVTQ-ZWKOTPCHSA-N -1 3 309.409 4.110 20 0 DIADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC001231072330 1053666691 /nfs/dbraw/zinc/66/66/91/1053666691.db2.gz ATWJJPMAICOBIT-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM O=c1nc2cccc(F)c2c(O[C@@H](c2ccccc2)C2CC2)[n-]1 ZINC001231075516 1053668777 /nfs/dbraw/zinc/66/87/77/1053668777.db2.gz DMZMLJHTTNYUAV-INIZCTEOSA-N -1 3 310.328 4.005 20 0 DIADHM O=C(O[C@H]1CCSc2ccccc21)c1cccc(Cl)c1[O-] ZINC001435790592 1053681660 /nfs/dbraw/zinc/68/16/60/1053681660.db2.gz OORIJSXSPWJYKT-ZDUSSCGKSA-N -1 3 320.797 4.440 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(Cl)cc1F ZINC000153627240 1053701608 /nfs/dbraw/zinc/70/16/08/1053701608.db2.gz SKGTUZZYUQPSNA-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM C[C@@H]1C[C@@H](Oc2ccccc2Oc2ccccc2[O-])CCO1 ZINC001231219830 1053703099 /nfs/dbraw/zinc/70/30/99/1053703099.db2.gz ASQUMUFPEPLMDY-KGLIPLIRSA-N -1 3 300.354 4.131 20 0 DIADHM CCCOC[C@@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231222453 1053705907 /nfs/dbraw/zinc/70/59/07/1053705907.db2.gz DWWUVQVEARRPEE-CQSZACIVSA-N -1 3 302.370 4.378 20 0 DIADHM CCCOC[C@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231222449 1053705972 /nfs/dbraw/zinc/70/59/72/1053705972.db2.gz DWWUVQVEARRPEE-AWEZNQCLSA-N -1 3 302.370 4.378 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)c([O-])c1 ZINC000155331820 1053773594 /nfs/dbraw/zinc/77/35/94/1053773594.db2.gz SVNHGXYZVCNBCE-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM O=C([N-]c1nsc2ccccc12)c1cc(-c2ccccc2)no1 ZINC001437245213 1054024083 /nfs/dbraw/zinc/02/40/83/1054024083.db2.gz QFAGSNOIEMMSPV-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCSc3ccccc32)c1Cl ZINC000294255215 1054074262 /nfs/dbraw/zinc/07/42/62/1054074262.db2.gz USDBLYWFXDOXEU-CYBMUJFWSA-N -1 3 305.830 4.372 20 0 DIADHM C[C@@H](F)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000505428349 1054078152 /nfs/dbraw/zinc/07/81/52/1054078152.db2.gz RCGCTHFTPNBCFX-MRVPVSSYSA-N -1 3 301.387 4.261 20 0 DIADHM FCCCCSc1nnc([N-]c2ccccc2F)s1 ZINC000505431941 1054078813 /nfs/dbraw/zinc/07/88/13/1054078813.db2.gz BXPKBLYBJGODRT-UHFFFAOYSA-N -1 3 301.387 4.263 20 0 DIADHM CCc1cccc(Cl)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000671162164 1054080254 /nfs/dbraw/zinc/08/02/54/1054080254.db2.gz NAEQBFYUYPNAHX-AWEZNQCLSA-N -1 3 323.845 4.270 20 0 DIADHM C[C@](NCc1cc(Cl)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001332407279 1054117779 /nfs/dbraw/zinc/11/77/79/1054117779.db2.gz SXVSYYJCWXBFDL-MRXNPFEDSA-N -1 3 324.207 4.083 20 0 DIADHM [O-]c1cccc(CN2CCC3(CC(F)(F)C3)CC2)c1Cl ZINC001232783815 1054119489 /nfs/dbraw/zinc/11/94/89/1054119489.db2.gz CYGMRSDKJGIBAW-UHFFFAOYSA-N -1 3 301.764 4.057 20 0 DIADHM CCc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1 ZINC000622275523 1054141409 /nfs/dbraw/zinc/14/14/09/1054141409.db2.gz ICWLOGYXIWVUNJ-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(F)c1 ZINC000622286461 1054147352 /nfs/dbraw/zinc/14/73/52/1054147352.db2.gz DVPXEDCVDUEYSL-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM [O-]c1c(F)ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)c1F ZINC001232936358 1054150453 /nfs/dbraw/zinc/15/04/53/1054150453.db2.gz BFNHWJJPKVMMGU-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM CC(C)CN(Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232932420 1054151178 /nfs/dbraw/zinc/15/11/78/1054151178.db2.gz YLFXSDNRTDWIGE-UHFFFAOYSA-N -1 3 305.368 4.329 20 0 DIADHM [O-]c1cc(CN2CCC(c3cccs3)CC2)cc(F)c1F ZINC001232971813 1054162539 /nfs/dbraw/zinc/16/25/39/1054162539.db2.gz PJRIUXCJUMIRGX-UHFFFAOYSA-N -1 3 309.381 4.112 20 0 DIADHM [O-]c1cc(CN2CCC(Cc3ccccc3)CC2)cc(F)c1F ZINC001232969356 1054163256 /nfs/dbraw/zinc/16/32/56/1054163256.db2.gz QMIHBFITFDTXCM-UHFFFAOYSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1cc(CN2CCC[C@H]2Cc2ccc(F)cc2)cc(F)c1F ZINC001232975287 1054163764 /nfs/dbraw/zinc/16/37/64/1054163764.db2.gz YZHIPTAUZPTJTC-HNNXBMFYSA-N -1 3 321.342 4.017 20 0 DIADHM [O-]c1cnc(Cl)cc1CN1CCCC[C@H]1c1ccccc1 ZINC001233032777 1054174081 /nfs/dbraw/zinc/17/40/81/1054174081.db2.gz SRNFPONPPSMGQJ-HNNXBMFYSA-N -1 3 302.805 4.168 20 0 DIADHM [O-]c1cccc(CN(Cc2ccccc2)Cc2ccccn2)c1F ZINC001233050011 1054176626 /nfs/dbraw/zinc/17/66/26/1054176626.db2.gz KUGDQWDDAHLSMB-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H]2c2cc(F)ccc2F)c1F ZINC001233054049 1054177792 /nfs/dbraw/zinc/17/77/92/1054177792.db2.gz YPFWVGZWQSIBNJ-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cccc(CN2CC[C@H](c3ccccc3)C(F)(F)C2)c1F ZINC001233056048 1054178157 /nfs/dbraw/zinc/17/81/57/1054178157.db2.gz YPNWJHLKSFRVFM-OAHLLOKOSA-N -1 3 321.342 4.156 20 0 DIADHM CN(Cc1cccc([O-])c1F)Cc1c(Cl)cccc1Cl ZINC001233053998 1054178309 /nfs/dbraw/zinc/17/83/09/1054178309.db2.gz XUKCNHUZKXCNFP-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)c([O-])c1 ZINC000622436995 1054227252 /nfs/dbraw/zinc/22/72/52/1054227252.db2.gz SGNHRPUMTDJLGT-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1CCCc1ccccc1 ZINC000622458593 1054232202 /nfs/dbraw/zinc/23/22/02/1054232202.db2.gz RWYGNWOGAXZOQK-SFHVURJKSA-N -1 3 323.436 4.410 20 0 DIADHM CC[C@H]1c2ccccc2CCN1Cc1c(F)ccc([O-])c1F ZINC001233396477 1054260614 /nfs/dbraw/zinc/26/06/14/1054260614.db2.gz FIOCQZHRIKSAKK-INIZCTEOSA-N -1 3 303.352 4.180 20 0 DIADHM CCN(Cc1cccc(Cl)c1)Cc1c(F)ccc([O-])c1F ZINC001233396516 1054260769 /nfs/dbraw/zinc/26/07/69/1054260769.db2.gz HFCACCFBUKKWMQ-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM COc1ccc(CN2CCc3ccccc3[C@H]2C)c(Cl)c1[O-] ZINC001233397857 1054261468 /nfs/dbraw/zinc/26/14/68/1054261468.db2.gz ODERXYUKLFHHEA-GFCCVEGCSA-N -1 3 317.816 4.174 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccccc2F)c1F ZINC001233395806 1054261673 /nfs/dbraw/zinc/26/16/73/1054261673.db2.gz RLBNTBWFZHXBHR-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1F ZINC001233397237 1054261759 /nfs/dbraw/zinc/26/17/59/1054261759.db2.gz QMVSAVQKJGUQDS-CQSZACIVSA-N -1 3 321.342 4.017 20 0 DIADHM CC1(C)CCC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622545346 1054278671 /nfs/dbraw/zinc/27/86/71/1054278671.db2.gz KOTCDVABGPPYRH-GFCCVEGCSA-N -1 3 315.335 4.110 20 0 DIADHM CCc1cccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c1[O-] ZINC000622557539 1054288947 /nfs/dbraw/zinc/28/89/47/1054288947.db2.gz MKYRMMUGKLPIAK-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OCc1ccc(OC(C)C)nc1 ZINC001233592095 1054303417 /nfs/dbraw/zinc/30/34/17/1054303417.db2.gz JLRDCGAWIWMWNB-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC[C@H](C)OCc1ccccc1 ZINC001233593763 1054304565 /nfs/dbraw/zinc/30/45/65/1054304565.db2.gz ZPYRISCLOAHUIV-ZDUSSCGKSA-N -1 3 306.789 4.338 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCC(=O)c2ccccc21 ZINC001233593435 1054304595 /nfs/dbraw/zinc/30/45/95/1054304595.db2.gz XNOBXSNBKDQRLQ-INIZCTEOSA-N -1 3 302.757 4.451 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCC(=O)c2ccccc21 ZINC001233593441 1054304976 /nfs/dbraw/zinc/30/49/76/1054304976.db2.gz XNOBXSNBKDQRLQ-MRXNPFEDSA-N -1 3 302.757 4.451 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC001339143021 1054325396 /nfs/dbraw/zinc/32/53/96/1054325396.db2.gz XLPXZTUVEKSCDU-UHFFFAOYSA-N -1 3 304.293 4.131 20 0 DIADHM CCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC000622742475 1054358492 /nfs/dbraw/zinc/35/84/92/1054358492.db2.gz LITWFGWZYFJGSG-UHFFFAOYSA-N -1 3 311.425 4.244 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001440823271 1054369066 /nfs/dbraw/zinc/36/90/66/1054369066.db2.gz XBRLOXSIZNBKMK-GOSISDBHSA-N -1 3 323.436 4.363 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N(CC)CC)cc2)c1 ZINC001440938158 1054374569 /nfs/dbraw/zinc/37/45/69/1054374569.db2.gz KHBXWWRDWRDTQV-UHFFFAOYSA-N -1 3 312.413 4.053 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001233867421 1054376760 /nfs/dbraw/zinc/37/67/60/1054376760.db2.gz DWEAEQQYKZTDIQ-SECBINFHSA-N -1 3 311.150 4.434 20 0 DIADHM [O-]c1cccc(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001233869280 1054377439 /nfs/dbraw/zinc/37/74/39/1054377439.db2.gz FHRPUZWTTSGKQX-HUUCEWRRSA-N -1 3 302.345 4.048 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3cc(Br)ccc32)c1F ZINC001233867609 1054377483 /nfs/dbraw/zinc/37/74/83/1054377483.db2.gz GMFJSFIVXDZRIC-CYBMUJFWSA-N -1 3 323.161 4.360 20 0 DIADHM [O-]c1cccc(O[C@H]2CCc3ccc(Br)cc32)c1F ZINC001233870849 1054378435 /nfs/dbraw/zinc/37/84/35/1054378435.db2.gz JCYNOFUOZGDREF-ZDUSSCGKSA-N -1 3 323.161 4.360 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001441138990 1054385406 /nfs/dbraw/zinc/38/54/06/1054385406.db2.gz UOMNFYRJWQWIHW-HZPDHXFCSA-N -1 3 303.446 4.289 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 ZINC001441181998 1054387227 /nfs/dbraw/zinc/38/72/27/1054387227.db2.gz VEQIZFOYRIKXDF-CYBMUJFWSA-N -1 3 315.438 4.256 20 0 DIADHM O=C(Nc1ccc2ccccc2n1)c1cc2sccc2c([O-])c1 ZINC001441458276 1054392357 /nfs/dbraw/zinc/39/23/57/1054392357.db2.gz JPPUNQIUVNITQP-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM CCC1CCC(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001441992087 1054405915 /nfs/dbraw/zinc/40/59/15/1054405915.db2.gz QXGCUZLGRVDAPZ-UHFFFAOYSA-N -1 3 311.425 4.492 20 0 DIADHM CCCN(C(=O)c1ccc(CC)cc1[O-])[C@H]1CCc2ccccc21 ZINC001442387452 1054418956 /nfs/dbraw/zinc/41/89/56/1054418956.db2.gz AQVHHJDSRITPPQ-IBGZPJMESA-N -1 3 323.436 4.494 20 0 DIADHM C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC001342658384 1054426562 /nfs/dbraw/zinc/42/65/62/1054426562.db2.gz NKHUWKFGDBTXBK-BMIGLBTASA-N -1 3 313.378 4.156 20 0 DIADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc2sccc2c([O-])c1 ZINC001443700124 1054456076 /nfs/dbraw/zinc/45/60/76/1054456076.db2.gz BWCLHTHDSWRLCM-INIZCTEOSA-N -1 3 323.417 4.333 20 0 DIADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001443729770 1054458227 /nfs/dbraw/zinc/45/82/27/1054458227.db2.gz MJVMJJKATKPHDW-ZDUSSCGKSA-N -1 3 315.438 4.384 20 0 DIADHM COc1ccc2c(c1)CC[C@H](Oc1c(Cl)ccc([O-])c1F)C2 ZINC001234263049 1054477519 /nfs/dbraw/zinc/47/75/19/1054477519.db2.gz PJGUFIAQWRTKPL-ZDUSSCGKSA-N -1 3 322.763 4.130 20 0 DIADHM COc1ccc([C@@H](C)Oc2c(Cl)ccc([O-])c2F)c(F)c1 ZINC001234263102 1054478128 /nfs/dbraw/zinc/47/81/28/1054478128.db2.gz RIQIUYFBOOBCOS-MRVPVSSYSA-N -1 3 314.715 4.472 20 0 DIADHM O=C(Nc1ccsc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001444639237 1054482560 /nfs/dbraw/zinc/48/25/60/1054482560.db2.gz QYBGIRVOPQSMLW-UHFFFAOYSA-N -1 3 311.362 4.498 20 0 DIADHM CC(C)[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444715381 1054484770 /nfs/dbraw/zinc/48/47/70/1054484770.db2.gz BJVQTWCHJNCHKI-IBGZPJMESA-N -1 3 323.436 4.244 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC001445167341 1054498968 /nfs/dbraw/zinc/49/89/68/1054498968.db2.gz UDWAFIHOAXCILS-LSDHHAIUSA-N -1 3 311.425 4.438 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c([O-])c1 ZINC001445722853 1054515396 /nfs/dbraw/zinc/51/53/96/1054515396.db2.gz QCXLNSVWZRADHX-KRWDZBQOSA-N -1 3 309.409 4.107 20 0 DIADHM CSc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000174875411 1054516649 /nfs/dbraw/zinc/51/66/49/1054516649.db2.gz NEGVNCHGXGYKOY-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(C)C)cc1[O-] ZINC001446081417 1054527007 /nfs/dbraw/zinc/52/70/07/1054527007.db2.gz VYUAKWQJFKKEEL-MRXNPFEDSA-N -1 3 317.429 4.026 20 0 DIADHM Cc1cccc(C(=O)Nc2cnc(-c3ccccc3)s2)c1[O-] ZINC001446152272 1054527906 /nfs/dbraw/zinc/52/79/06/1054527906.db2.gz JZMXAZNKRPMPJE-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)c([O-])c1 ZINC001446238598 1054532530 /nfs/dbraw/zinc/53/25/30/1054532530.db2.gz NFEMKCADRULLFX-UHFFFAOYSA-N -1 3 323.436 4.149 20 0 DIADHM CCC(CC)[C@@H](CCNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001446501783 1054537797 /nfs/dbraw/zinc/53/77/97/1054537797.db2.gz CEPITSIAWIOHCO-GOSISDBHSA-N -1 3 321.461 4.087 20 0 DIADHM O=C(CCC1CCCC1)Nc1cc(Br)ccc1[O-] ZINC001447277831 1054557741 /nfs/dbraw/zinc/55/77/41/1054557741.db2.gz NRLYIEHACOVYFG-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447273532 1054557919 /nfs/dbraw/zinc/55/79/19/1054557919.db2.gz JNKASMSFRHKQLO-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM CCCC[C@H](CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447275596 1054558301 /nfs/dbraw/zinc/55/83/01/1054558301.db2.gz HAOHMNDHEWEPKL-JTQLQIEISA-N -1 3 314.223 4.310 20 0 DIADHM O=C(CCCCc1cccc(O)c1)Nc1ccc(Cl)cc1[O-] ZINC001447288799 1054559202 /nfs/dbraw/zinc/55/92/02/1054559202.db2.gz NPBIYGBQSWTWJZ-UHFFFAOYSA-N -1 3 319.788 4.103 20 0 DIADHM CCC(CC)(C(=O)Nc1ncccc1[O-])c1ccc(Cl)cc1 ZINC001447579393 1054568906 /nfs/dbraw/zinc/56/89/06/1054568906.db2.gz BLPRLSNIUVTXQK-UHFFFAOYSA-N -1 3 318.804 4.137 20 0 DIADHM CC(C)=CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001447677930 1054571570 /nfs/dbraw/zinc/57/15/70/1054571570.db2.gz FWAJDVVVPTXKPU-UHFFFAOYSA-N -1 3 323.436 4.264 20 0 DIADHM O=c1[n-]cnc(O[C@H](c2ccccc2)C2CC2)c1-c1ccccc1 ZINC001234690167 1054576657 /nfs/dbraw/zinc/57/66/57/1054576657.db2.gz ZLSNQBJZZZKFAZ-GOSISDBHSA-N -1 3 318.376 4.379 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2cccc(F)c2)c1C(C)=O ZINC001234791743 1054589851 /nfs/dbraw/zinc/58/98/51/1054589851.db2.gz RENBXXJJEZKHBY-LBPRGKRZSA-N -1 3 318.344 4.191 20 0 DIADHM CC[C@@H](Oc1c(C)c([O-])cc(OC)c1C(C)=O)c1ccccc1 ZINC001234791964 1054590695 /nfs/dbraw/zinc/59/06/95/1054590695.db2.gz UDMGHCANLKDUMI-MRXNPFEDSA-N -1 3 314.381 4.442 20 0 DIADHM c1cc2nc(O[C@H](c3ccccc3)C3CCOCC3)[n-]c2s1 ZINC001234847410 1054599051 /nfs/dbraw/zinc/59/90/51/1054599051.db2.gz JCIGIDMMPWSAKM-OAHLLOKOSA-N -1 3 314.410 4.171 20 0 DIADHM c1cc2[n-]c(O[C@H](c3ccccc3)C3CCOCC3)nc2s1 ZINC001234847410 1054599063 /nfs/dbraw/zinc/59/90/63/1054599063.db2.gz JCIGIDMMPWSAKM-OAHLLOKOSA-N -1 3 314.410 4.171 20 0 DIADHM c1cc2nc(O[C@@H]3CC[C@@H](OCc4ccccc4)C3)[n-]c2s1 ZINC001234854997 1054603011 /nfs/dbraw/zinc/60/30/11/1054603011.db2.gz PCLPMMLSVRUXCC-ZIAGYGMSSA-N -1 3 314.410 4.141 20 0 DIADHM c1cc2[n-]c(O[C@@H]3CC[C@@H](OCc4ccccc4)C3)nc2s1 ZINC001234854997 1054603015 /nfs/dbraw/zinc/60/30/15/1054603015.db2.gz PCLPMMLSVRUXCC-ZIAGYGMSSA-N -1 3 314.410 4.141 20 0 DIADHM Clc1ccnc2c1CCC[C@H]2Oc1nc2ccsc2[n-]1 ZINC001234856140 1054605433 /nfs/dbraw/zinc/60/54/33/1054605433.db2.gz WJKDSSDCWLVILD-LLVKDONJSA-N -1 3 305.790 4.129 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1ocnc1-c1ccccc1 ZINC001348232554 1054622074 /nfs/dbraw/zinc/62/20/74/1054622074.db2.gz NYOYLFAJWQGGKR-UHFFFAOYSA-N -1 3 310.378 4.316 20 0 DIADHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c([O-])cccc1Cl ZINC001450262900 1054643045 /nfs/dbraw/zinc/64/30/45/1054643045.db2.gz QPHSWNRBVUXONL-HNNXBMFYSA-N -1 3 319.788 4.150 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC001450370947 1054646629 /nfs/dbraw/zinc/64/66/29/1054646629.db2.gz NLMJXMOGAKPDSG-HJOIGYKYSA-N -1 3 303.446 4.444 20 0 DIADHM COc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1SC ZINC001451171848 1054670072 /nfs/dbraw/zinc/67/00/72/1054670072.db2.gz XRUZNJCQWARPOS-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM CCN(C(=O)c1cc(C)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC001452048663 1054693335 /nfs/dbraw/zinc/69/33/35/1054693335.db2.gz COISOJGDHJLJOL-UHFFFAOYSA-N -1 3 323.314 4.386 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C2CCC2)C2CCCC2)c1 ZINC001452179309 1054697936 /nfs/dbraw/zinc/69/79/36/1054697936.db2.gz VUZIMKUGDLSAPY-QGZVFWFLSA-N -1 3 319.470 4.203 20 0 DIADHM CCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C(C)C ZINC001452499994 1054702573 /nfs/dbraw/zinc/70/25/73/1054702573.db2.gz AKKOVIPGNGSPTM-UHFFFAOYSA-N -1 3 313.397 4.445 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299248599 1054708729 /nfs/dbraw/zinc/70/87/29/1054708729.db2.gz KGMKHKAGNNRZSA-HZPDHXFCSA-N -1 3 303.446 4.460 20 0 DIADHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001299248655 1054709389 /nfs/dbraw/zinc/70/93/89/1054709389.db2.gz LBVVELSYMHGULH-SJORKVTESA-N -1 3 311.425 4.490 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(C2CCC2)CC1 ZINC001452994065 1054723626 /nfs/dbraw/zinc/72/36/26/1054723626.db2.gz BYLYAZYYMGLEEV-UHFFFAOYSA-N -1 3 309.409 4.198 20 0 DIADHM O=C(NC1CCC(C2CCC2)CC1)c1cc([O-])ccc1Cl ZINC001453733544 1054746451 /nfs/dbraw/zinc/74/64/51/1054746451.db2.gz JXSMPVJOQWUIRP-UHFFFAOYSA-N -1 3 307.821 4.134 20 0 DIADHM Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2ccc(C)cc2[O-])c1 ZINC001454341549 1054764327 /nfs/dbraw/zinc/76/43/27/1054764327.db2.gz YTUVXFOANFJMBC-OAQYLSRUSA-N -1 3 323.436 4.246 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc21 ZINC001454507056 1054771543 /nfs/dbraw/zinc/77/15/43/1054771543.db2.gz YTNHQZSHVKWASV-UHFFFAOYSA-N -1 3 317.388 4.483 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccco1 ZINC001454614352 1054775508 /nfs/dbraw/zinc/77/55/08/1054775508.db2.gz YKCUXKAKPLWJFV-GOSISDBHSA-N -1 3 321.376 4.362 20 0 DIADHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001454706720 1054780887 /nfs/dbraw/zinc/78/08/87/1054780887.db2.gz OREKCWXEGQXLPJ-UWJYYQICSA-N -1 3 321.420 4.046 20 0 DIADHM O=C(Nc1cncc(C(F)F)c1)c1cc([O-])c2ccccc2c1 ZINC001455006242 1054788819 /nfs/dbraw/zinc/78/88/19/1054788819.db2.gz MTHVRILQWCDTHS-UHFFFAOYSA-N -1 3 314.291 4.130 20 0 DIADHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]c1cnoc1 ZINC000623941792 1054830006 /nfs/dbraw/zinc/83/00/06/1054830006.db2.gz GYHSEUGWGFJSSV-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nccnc2C2SCCCS2)c1 ZINC001235899513 1054836289 /nfs/dbraw/zinc/83/62/89/1054836289.db2.gz HHYMGIQNRFOKPV-UHFFFAOYSA-N -1 3 324.858 4.371 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccnc3)nc3c2CCC3)c1 ZINC001235899319 1054838276 /nfs/dbraw/zinc/83/82/76/1054838276.db2.gz GSTLBRHVCZQBPW-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccncc3)nc3c2CCC3)c1 ZINC001235901949 1054839473 /nfs/dbraw/zinc/83/94/73/1054839473.db2.gz ZGROKVOZBZBFAK-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM COc1ccc(-c2nccc(-c3cc([O-])cc(Cl)c3)n2)cc1 ZINC001235900440 1054839777 /nfs/dbraw/zinc/83/97/77/1054839777.db2.gz NZKQULPWHPYMMY-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM CCOc1nnc(-c2cc([O-])cc(Cl)c2)c2ccccc21 ZINC001235900506 1054839810 /nfs/dbraw/zinc/83/98/10/1054839810.db2.gz OMPVHGLPCGUELA-UHFFFAOYSA-N -1 3 300.745 4.055 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900446 1054839911 /nfs/dbraw/zinc/83/99/11/1054839911.db2.gz VJQXRCOTTZDFHQ-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccc(OCc3ccccc3)nn2)c1 ZINC001235901511 1054840451 /nfs/dbraw/zinc/84/04/51/1054840451.db2.gz VZNSAXCCMXDDNZ-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM CCc1cc(-c2cc([O-])cc(Cl)c2)nc(-c2ccncc2)n1 ZINC001235900340 1054841016 /nfs/dbraw/zinc/84/10/16/1054841016.db2.gz MUJZZFMCYGCDTM-UHFFFAOYSA-N -1 3 311.772 4.127 20 0 DIADHM Cc1ccc(-c2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC001235968304 1054876651 /nfs/dbraw/zinc/87/66/51/1054876651.db2.gz OZNSKVHQCSGZNK-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1ccc(-c2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC001235968304 1054876661 /nfs/dbraw/zinc/87/66/61/1054876661.db2.gz OZNSKVHQCSGZNK-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM CCN(CC)Cc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F ZINC001236065148 1054921449 /nfs/dbraw/zinc/92/14/49/1054921449.db2.gz VRPYZSZLCWMENJ-UHFFFAOYSA-N -1 3 301.361 4.033 20 0 DIADHM Cc1ccc(-c2c(C)cc(OC(C)C)cc2C)cc1-c1nnn[n-]1 ZINC001236089260 1054936394 /nfs/dbraw/zinc/93/63/94/1054936394.db2.gz UQKUDDVXCXBKPU-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM Cc1ccc(-c2c(C)cc(OC(C)C)cc2C)cc1-c1nn[n-]n1 ZINC001236089260 1054936399 /nfs/dbraw/zinc/93/63/99/1054936399.db2.gz UQKUDDVXCXBKPU-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM FC(F)(F)c1ccc(-c2ccc(=S)[n-]n2)c(C(F)(F)F)c1 ZINC001236381385 1055085607 /nfs/dbraw/zinc/08/56/07/1055085607.db2.gz SWCJEOZSQUUNCG-UHFFFAOYSA-N -1 3 324.249 4.470 20 0 DIADHM CCn1c2ccccc2c2cc(C=Cc3nccc(=O)[n-]3)ccc21 ZINC000764443791 1055187488 /nfs/dbraw/zinc/18/74/88/1055187488.db2.gz XWIYBXFSWJSOPW-CSKARUKUSA-N -1 3 315.376 4.480 20 0 DIADHM O=c1ccnc(C=Cc2c(Cl)ccc(Cl)c2Cl)[n-]1 ZINC000764443218 1055187949 /nfs/dbraw/zinc/18/79/49/1055187949.db2.gz VLRACPTXIAGPMF-RJRFIUFISA-N -1 3 301.560 4.313 20 0 DIADHM O=c1ccnc(C=Cc2c(OC(F)F)ccc3ccccc32)[n-]1 ZINC000764441736 1055188275 /nfs/dbraw/zinc/18/82/75/1055188275.db2.gz KEPCIPYIRWFITF-SOFGYWHQSA-N -1 3 314.291 4.107 20 0 DIADHM O=c1ccnc(C=Cc2c(Cl)ccc(Cl)c2Cl)[n-]1 ZINC000764443217 1055188288 /nfs/dbraw/zinc/18/82/88/1055188288.db2.gz VLRACPTXIAGPMF-DAFODLJHSA-N -1 3 301.560 4.313 20 0 DIADHM [O-]c1cc(CN2CC[C@H]2c2ccccc2)ccc1Br ZINC001236698910 1055233460 /nfs/dbraw/zinc/23/34/60/1055233460.db2.gz NPXZDSWERBRTON-HNNXBMFYSA-N -1 3 318.214 4.102 20 0 DIADHM [O-]c1cc(CN2CC[C@@H]2c2ccccc2)ccc1Br ZINC001236698914 1055234209 /nfs/dbraw/zinc/23/42/09/1055234209.db2.gz NPXZDSWERBRTON-OAHLLOKOSA-N -1 3 318.214 4.102 20 0 DIADHM [O-]c1cc(CN(Cc2ccccc2)Cc2cccnc2)ccc1F ZINC001236706714 1055236068 /nfs/dbraw/zinc/23/60/68/1055236068.db2.gz WUQCQJAHSBEQME-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c([O-])c1 ZINC001587789099 1055367499 /nfs/dbraw/zinc/36/74/99/1055367499.db2.gz PKJDMKUMPGESQZ-HOCLYGCPSA-N -1 3 315.457 4.414 20 0 DIADHM CC[C@H]1c2ccccc2CCN1Cc1sc(=O)[n-]c1Cl ZINC001237166068 1055390635 /nfs/dbraw/zinc/39/06/35/1055390635.db2.gz SBCBWSKAJCQFNJ-LBPRGKRZSA-N -1 3 308.834 4.012 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c([O-])c1 ZINC000385824057 1055392908 /nfs/dbraw/zinc/39/29/08/1055392908.db2.gz YIWPTGQUFWIDEV-HNNXBMFYSA-N -1 3 309.409 4.142 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2c(F)cccc2F)c1 ZINC001237284473 1055415714 /nfs/dbraw/zinc/41/57/14/1055415714.db2.gz WDTRNQTTWUFATL-MRXNPFEDSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001237284017 1055416212 /nfs/dbraw/zinc/41/62/12/1055416212.db2.gz QZBNFSROFIJWOY-KRWDZBQOSA-N -1 3 307.315 4.147 20 0 DIADHM O=C(NCC1(c2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000471624749 1055452333 /nfs/dbraw/zinc/45/23/33/1055452333.db2.gz IQLASTPVLISKSW-UHFFFAOYSA-N -1 3 317.388 4.007 20 0 DIADHM C[C@H]1c2ccsc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471647337 1055458328 /nfs/dbraw/zinc/45/83/28/1055458328.db2.gz GPDHEIKMMOIKNW-LBPRGKRZSA-N -1 3 323.417 4.366 20 0 DIADHM O=C([N-]c1c(Cl)ccc2cnccc21)c1ocnc1C(F)F ZINC001588269935 1055460657 /nfs/dbraw/zinc/46/06/57/1055460657.db2.gz UFCXYSVKEXXKGE-UHFFFAOYSA-N -1 3 323.686 4.066 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)c([O-])c1 ZINC001588277018 1055461962 /nfs/dbraw/zinc/46/19/62/1055461962.db2.gz GXRULJZOMCTVFJ-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM COc1ccc([C@H](C)N(C)Cc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001237994084 1055575716 /nfs/dbraw/zinc/57/57/16/1055575716.db2.gz BSOYFJTZYXRKIS-NSHDSACASA-N -1 3 323.795 4.386 20 0 DIADHM [O-]c1ccc(Br)c(CN2CCCCCCC2)c1F ZINC001238309587 1055638855 /nfs/dbraw/zinc/63/88/55/1055638855.db2.gz QYRCYFBEZAJJQJ-UHFFFAOYSA-N -1 3 316.214 4.060 20 0 DIADHM CC(C)c1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)c([O-])c1 ZINC001596221873 1055684389 /nfs/dbraw/zinc/68/43/89/1055684389.db2.gz DPLMJBIAGVJONM-UHFFFAOYSA-N -1 3 315.388 4.320 20 0 DIADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1OC ZINC000471961493 1055685432 /nfs/dbraw/zinc/68/54/32/1055685432.db2.gz SPAGZSMUVHEAMW-UHFFFAOYSA-N -1 3 321.376 4.221 20 0 DIADHM CCOCc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000472017177 1055687288 /nfs/dbraw/zinc/68/72/88/1055687288.db2.gz JEISRKUNZCHLMH-UHFFFAOYSA-N -1 3 321.376 4.334 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC001565569365 1055712024 /nfs/dbraw/zinc/71/20/24/1055712024.db2.gz LZSMDTHQYSFEGO-UHFFFAOYSA-N -1 3 307.349 4.141 20 0 DIADHM Cc1ccc(C)c2sc(NC(=O)c3c(C)cccc3[O-])nc21 ZINC001565623313 1055715262 /nfs/dbraw/zinc/71/52/62/1055715262.db2.gz YFXIWUUNWMGJLT-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001565740606 1055723574 /nfs/dbraw/zinc/72/35/74/1055723574.db2.gz GLBWPMPQGHHJPH-PJQXDXOGSA-N -1 3 315.800 4.173 20 0 DIADHM C[C@@H]1CC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H](C)C1 ZINC001565759352 1055727782 /nfs/dbraw/zinc/72/77/82/1055727782.db2.gz YJVJOOXEXZSLEI-JTNHKYCSSA-N -1 3 303.427 4.161 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c1 ZINC001565788397 1055728565 /nfs/dbraw/zinc/72/85/65/1055728565.db2.gz LKFVMZONPDEVGB-GOSISDBHSA-N -1 3 323.436 4.110 20 0 DIADHM CC[C@H]1CCCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001565820699 1055731564 /nfs/dbraw/zinc/73/15/64/1055731564.db2.gz PCZXJTJVSYNKSC-ZDUSSCGKSA-N -1 3 303.427 4.402 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC001596686709 1055735608 /nfs/dbraw/zinc/73/56/08/1055735608.db2.gz MHQSEVCXMJYQNC-INIZCTEOSA-N -1 3 319.470 4.299 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3cccc(C)c3[O-])cc21 ZINC001566013169 1055740075 /nfs/dbraw/zinc/74/00/75/1055740075.db2.gz JRUKJCAALHLITB-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC2(C1)CCCCCC2 ZINC001566167776 1055746719 /nfs/dbraw/zinc/74/67/19/1055746719.db2.gz LLCGIIOXNYORQH-UHFFFAOYSA-N -1 3 319.420 4.037 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC001566229701 1055754173 /nfs/dbraw/zinc/75/41/73/1055754173.db2.gz CFYLJVANJCQYPQ-UHFFFAOYSA-N -1 3 315.344 4.023 20 0 DIADHM O=C(CC[C@H]1CCc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC001596974204 1055768358 /nfs/dbraw/zinc/76/83/58/1055768358.db2.gz PGQPABIEGGJFGA-CYBMUJFWSA-N -1 3 315.800 4.494 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2SC(C)C)c1 ZINC001566403896 1055769840 /nfs/dbraw/zinc/76/98/40/1055769840.db2.gz NQNYNPRWOLHRCG-UHFFFAOYSA-N -1 3 301.411 4.453 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c1[O-] ZINC001566883718 1055786319 /nfs/dbraw/zinc/78/63/19/1055786319.db2.gz UHQFXQFFDLPVDA-UGSOOPFHSA-N -1 3 309.409 4.008 20 0 DIADHM CCCN(CC)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001567234830 1055795633 /nfs/dbraw/zinc/79/56/33/1055795633.db2.gz OWJUZNSMXKNQKE-UHFFFAOYSA-N -1 3 316.376 4.020 20 0 DIADHM Cc1ccc2occ(CC(=O)Nc3ccc(Cl)cc3[O-])c2c1 ZINC001567235394 1055796283 /nfs/dbraw/zinc/79/62/83/1055796283.db2.gz ZLLPARWGSOJKDW-UHFFFAOYSA-N -1 3 315.756 4.281 20 0 DIADHM C/C(=C\C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001567235097 1055796810 /nfs/dbraw/zinc/79/68/10/1055796810.db2.gz SNNCEHJAPFTLTG-CSKARUKUSA-N -1 3 305.736 4.227 20 0 DIADHM CC(C)c1ccc2cc(C(=O)Nc3cc(F)ccc3[O-])[nH]c2c1 ZINC001567235403 1055796856 /nfs/dbraw/zinc/79/68/56/1055796856.db2.gz ZXBKGHFPOOBCIS-UHFFFAOYSA-N -1 3 312.344 4.388 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC001567481109 1055804916 /nfs/dbraw/zinc/80/49/16/1055804916.db2.gz OUKTURZEWDPQEI-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM CC1(C)CCC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001567700080 1055813489 /nfs/dbraw/zinc/81/34/89/1055813489.db2.gz FIOYZVPVAZTUAL-GFCCVEGCSA-N -1 3 303.427 4.306 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccccc2Oc2ccccc2)n1 ZINC001568296336 1055833130 /nfs/dbraw/zinc/83/31/30/1055833130.db2.gz VWKCPGQMZKTRFO-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc2c(cc1C)N(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001568864873 1055847499 /nfs/dbraw/zinc/84/74/99/1055847499.db2.gz LDKRTGYAVXVWDG-UHFFFAOYSA-N -1 3 323.417 4.427 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2cc(O)ccc21 ZINC001569681801 1055869213 /nfs/dbraw/zinc/86/92/13/1055869213.db2.gz CBFHZXZAIWIWME-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCc2c1cccc2Cl ZINC001569682382 1055869595 /nfs/dbraw/zinc/86/95/95/1055869595.db2.gz LYIKNUXHJPKGGO-NSHDSACASA-N -1 3 322.191 4.368 20 0 DIADHM O=C(Cc1ccc(C2CCCCC2)cc1)[N-]OC/C=C/Cl ZINC001570049051 1055883155 /nfs/dbraw/zinc/88/31/55/1055883155.db2.gz CBZJYBDFJZBJLU-NYYWCZLTSA-N -1 3 307.821 4.077 20 0 DIADHM Cc1cc2occ(CC(=O)[N-]OC/C=C/Cl)c2cc1C(C)C ZINC001570047958 1055883703 /nfs/dbraw/zinc/88/37/03/1055883703.db2.gz TWUPKFJAGFPWBP-SNAWJCMRSA-N -1 3 321.804 4.207 20 0 DIADHM Cc1ccc2c(c1)N(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001597849058 1055883831 /nfs/dbraw/zinc/88/38/31/1055883831.db2.gz PJCIPRBWBYXFNN-UHFFFAOYSA-N -1 3 309.390 4.118 20 0 DIADHM C=COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC001570209272 1055890855 /nfs/dbraw/zinc/89/08/55/1055890855.db2.gz ISSKTAIEDKFUBG-UHFFFAOYSA-N -1 3 309.365 4.046 20 0 DIADHM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001570222678 1055892771 /nfs/dbraw/zinc/89/27/71/1055892771.db2.gz BMIFBPYZYYVECZ-SKDZVZGDSA-N -1 3 323.392 4.103 20 0 DIADHM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc2sccc2c([O-])c1 ZINC001570329249 1055897081 /nfs/dbraw/zinc/89/70/81/1055897081.db2.gz QGWMHTCYHSHFOB-OCCSQVGLSA-N -1 3 315.438 4.163 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](CC)c2ccc(C)c(F)c2)c1[O-] ZINC001598043453 1055907532 /nfs/dbraw/zinc/90/75/32/1055907532.db2.gz ARJFSIHPFSMZFK-KRWDZBQOSA-N -1 3 315.388 4.283 20 0 DIADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccccc1-c1ccccc1 ZINC001239506578 1055917856 /nfs/dbraw/zinc/91/78/56/1055917856.db2.gz GCVSJNKUEVSPLU-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccccc1-c1ccccc1 ZINC001239506578 1055917869 /nfs/dbraw/zinc/91/78/69/1055917869.db2.gz GCVSJNKUEVSPLU-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000065024379 1055935835 /nfs/dbraw/zinc/93/58/35/1055935835.db2.gz IQDOFKAHYRAOSA-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCCCc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001616167159 1055943430 /nfs/dbraw/zinc/94/34/30/1055943430.db2.gz FYYCJJRRWOZSFR-UHFFFAOYSA-N -1 3 311.429 4.039 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000020548713 1055947745 /nfs/dbraw/zinc/94/77/45/1055947745.db2.gz FPXUSTXVCDEDBE-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)c([O-])c1 ZINC001540413744 1056028071 /nfs/dbraw/zinc/02/80/71/1056028071.db2.gz QTCMBZIOUXWDES-UHFFFAOYSA-N -1 3 303.789 4.099 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c([O-])c1 ZINC001540517909 1056039862 /nfs/dbraw/zinc/03/98/62/1056039862.db2.gz SBRFJENQKPGPPO-UHFFFAOYSA-N -1 3 324.380 4.472 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1-c1ccccc1 ZINC001540523613 1056039927 /nfs/dbraw/zinc/03/99/27/1056039927.db2.gz RFHSVDKPBRFZOP-UHFFFAOYSA-N -1 3 321.351 4.380 20 0 DIADHM CCN(c1ccc(NC(=O)c2c(C)cccc2[O-])cc1)C(C)C ZINC001540707269 1056064456 /nfs/dbraw/zinc/06/44/56/1056064456.db2.gz BPHDMPNQKLQZBQ-UHFFFAOYSA-N -1 3 312.413 4.188 20 0 DIADHM CCN(Cc1ccccc1Cl)C(=O)c1c(C)cccc1[O-] ZINC001540716503 1056065701 /nfs/dbraw/zinc/06/57/01/1056065701.db2.gz AVJMTOYJGCRYKI-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001583401959 1056075675 /nfs/dbraw/zinc/07/56/75/1056075675.db2.gz MWVOXMOZVAAAAY-VXGBXAGGSA-N -1 3 303.427 4.163 20 0 DIADHM Cc1cccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC001540839310 1056083537 /nfs/dbraw/zinc/08/35/37/1056083537.db2.gz KLOINSQBTAWINO-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM O=C(Nc1ccc(Br)cc1[O-])[C@@H]1CCC=CCCC1 ZINC001540971742 1056086821 /nfs/dbraw/zinc/08/68/21/1056086821.db2.gz PJXZDNCUFINHIE-LLVKDONJSA-N -1 3 324.218 4.230 20 0 DIADHM CC1(C)CCC(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001610971464 1056087884 /nfs/dbraw/zinc/08/78/84/1056087884.db2.gz MYIHXOIIWIIRKP-UHFFFAOYSA-N -1 3 311.425 4.492 20 0 DIADHM Cc1ccc(C(=O)Nc2csc(-c3ccccc3)n2)c([O-])c1 ZINC001583626979 1056122211 /nfs/dbraw/zinc/12/22/11/1056122211.db2.gz ZUFWEGFYIPCPKH-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001542505405 1056128487 /nfs/dbraw/zinc/12/84/87/1056128487.db2.gz VBDJCAZNFQNEPT-IPYPFGDCSA-N -1 3 323.864 4.484 20 0 DIADHM O=C(CCC1CCCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001611263477 1056132683 /nfs/dbraw/zinc/13/26/83/1056132683.db2.gz OAOQZUUXZOUTTG-UHFFFAOYSA-N -1 3 324.384 4.127 20 0 DIADHM CC(C)C[C@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001542754387 1056152031 /nfs/dbraw/zinc/15/20/31/1056152031.db2.gz JMIJCKFQHONMHJ-CYBMUJFWSA-N -1 3 303.427 4.258 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(CSC)cc2)c([O-])c1 ZINC001611438374 1056160555 /nfs/dbraw/zinc/16/05/55/1056160555.db2.gz IDCWCBRWNNJFAD-UHFFFAOYSA-N -1 3 301.411 4.070 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC001542963644 1056165433 /nfs/dbraw/zinc/16/54/33/1056165433.db2.gz DNGRXMYNZMAAIH-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)CC)c1 ZINC001543134509 1056179185 /nfs/dbraw/zinc/17/91/85/1056179185.db2.gz HKCXUUNLLIMMNV-OAHLLOKOSA-N -1 3 311.425 4.396 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC(C2CCC2)CC1 ZINC001583942440 1056210233 /nfs/dbraw/zinc/21/02/33/1056210233.db2.gz DJYNHXIKOQASDA-UHFFFAOYSA-N -1 3 315.438 4.259 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c([O-])c1 ZINC001543486687 1056234062 /nfs/dbraw/zinc/23/40/62/1056234062.db2.gz PMGVJEVXZFOFBZ-ZDUSSCGKSA-N -1 3 315.388 4.488 20 0 DIADHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc([O-])c2ccccc2c1 ZINC001543530797 1056246639 /nfs/dbraw/zinc/24/66/39/1056246639.db2.gz GLLBGZWWZYYESF-JKIFEVAISA-N -1 3 309.409 4.244 20 0 DIADHM O=C(Nc1ccc2scnc2c1)c1cc2c(cc1[O-])CCCC2 ZINC001584263964 1056302188 /nfs/dbraw/zinc/30/21/88/1056302188.db2.gz JYVSBBAUAQBKNV-UHFFFAOYSA-N -1 3 324.405 4.133 20 0 DIADHM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000765873801 1056349116 /nfs/dbraw/zinc/34/91/16/1056349116.db2.gz INHPCILVCFJUGT-QHHAFSJGSA-N -1 3 312.756 4.179 20 0 DIADHM CCc1ccc(C(=O)N2CCCCC[C@H]2CC(C)C)c([O-])c1 ZINC001544064066 1056353772 /nfs/dbraw/zinc/35/37/72/1056353772.db2.gz BSBCYZDSORSLRE-INIZCTEOSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(F)ccc2OC(C)C)c([O-])c1 ZINC001584621059 1056382421 /nfs/dbraw/zinc/38/24/21/1056382421.db2.gz KJRZJEADVDDQFF-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM O=C(NC[C@@H]1CC=CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001544221631 1056386064 /nfs/dbraw/zinc/38/60/64/1056386064.db2.gz SMWKFFXFNCCVIO-QGZVFWFLSA-N -1 3 321.420 4.069 20 0 DIADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013948859 1056431567 /nfs/dbraw/zinc/43/15/67/1056431567.db2.gz VXIHGASVFQMBGQ-SNVBAGLBSA-N -1 3 309.884 4.039 20 0 DIADHM Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3[O-])n2)cc1 ZINC001585025005 1056465434 /nfs/dbraw/zinc/46/54/34/1056465434.db2.gz CPWUHGJIYPZYSL-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccn1 ZINC001585355454 1056537883 /nfs/dbraw/zinc/53/78/83/1056537883.db2.gz DJTCTBGOBCBRBZ-QGZVFWFLSA-N -1 3 312.413 4.182 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001585354856 1056538227 /nfs/dbraw/zinc/53/82/27/1056538227.db2.gz FQPWBFSNGHHWCZ-OALUTQOASA-N -1 3 323.436 4.438 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCc2ccccc21 ZINC000111211237 1056570555 /nfs/dbraw/zinc/57/05/55/1056570555.db2.gz VFSXIFMJROFMHM-AWEZNQCLSA-N -1 3 301.773 4.104 20 0 DIADHM O=C(N[C@H]1CCCc2sccc21)c1cc([O-])c2ccccc2c1 ZINC000355758755 1056635844 /nfs/dbraw/zinc/63/58/44/1056635844.db2.gz VYUFULOSBYHQKW-INIZCTEOSA-N -1 3 323.417 4.414 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCCC2(CCCC2)C1 ZINC001616637714 1056692206 /nfs/dbraw/zinc/69/22/06/1056692206.db2.gz UVWMIJNYHRHYLC-UHFFFAOYSA-N -1 3 315.438 4.403 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240782851 1056695816 /nfs/dbraw/zinc/69/58/16/1056695816.db2.gz GRWMZMZIPSCRRS-UHFFFAOYSA-N -1 3 323.327 4.237 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1ccc([O-])c(F)c1 ZINC001240786263 1056697639 /nfs/dbraw/zinc/69/76/39/1056697639.db2.gz CYPLBFYWTBBHPB-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC001586420317 1056732378 /nfs/dbraw/zinc/73/23/78/1056732378.db2.gz IPMPZKBPEINGDR-INIZCTEOSA-N -1 3 313.397 4.305 20 0 DIADHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC001586480190 1056745259 /nfs/dbraw/zinc/74/52/59/1056745259.db2.gz CIZKIZWMZGZFQL-SFHVURJKSA-N -1 3 309.409 4.376 20 0 DIADHM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1[O-] ZINC001617092151 1056776096 /nfs/dbraw/zinc/77/60/96/1056776096.db2.gz CJDQKCUQPYELSC-OAHLLOKOSA-N -1 3 317.816 4.105 20 0 DIADHM O=C(Nc1cc(F)c(F)c(F)c1)c1cc2sccc2c([O-])c1 ZINC001586719620 1056790826 /nfs/dbraw/zinc/79/08/26/1056790826.db2.gz DCZPRSPIKAKXSK-UHFFFAOYSA-N -1 3 323.295 4.277 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC001617210424 1056793967 /nfs/dbraw/zinc/79/39/67/1056793967.db2.gz HTVYOWALWUTGCN-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2ccccc2[O-])c1 ZINC001241003735 1056806365 /nfs/dbraw/zinc/80/63/65/1056806365.db2.gz UBVDPMIEXOHXQP-UHFFFAOYSA-N -1 3 305.337 4.098 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cccnc2)nc2sccc21 ZINC001241009527 1056813732 /nfs/dbraw/zinc/81/37/32/1056813732.db2.gz UHGHWOOIGAEQGK-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM Cc1nc2sc3c(c2c(-c2ccccc2[O-])n1)CC[C@@H](C)C3 ZINC001241007701 1056814054 /nfs/dbraw/zinc/81/40/54/1056814054.db2.gz JQALYAYCXMWTGS-SNVBAGLBSA-N -1 3 310.422 4.497 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(-c3ccccc3[O-])nc2)cc1 ZINC001241008212 1056814540 /nfs/dbraw/zinc/81/45/40/1056814540.db2.gz OOPKWBPWUBEGMO-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3c(C)cccc3[O-])cc21 ZINC001586842525 1056817728 /nfs/dbraw/zinc/81/77/28/1056817728.db2.gz BXZNPXPXFCXHJR-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM CCOc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001241059691 1056855526 /nfs/dbraw/zinc/85/55/26/1056855526.db2.gz YTVJCPZDXAGSHB-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM CCOc1cc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001241077381 1056868798 /nfs/dbraw/zinc/86/87/98/1056868798.db2.gz XZBSFBLFTOQBAD-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM CC(C)c1cc([N-]C(=O)c2ccc(Oc3ccccc3)o2)no1 ZINC001617895582 1056897901 /nfs/dbraw/zinc/89/79/01/1056897901.db2.gz SMRXQMKFMOYKRX-UHFFFAOYSA-N -1 3 312.325 4.436 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)cc1C(F)(F)F ZINC001241127146 1056911216 /nfs/dbraw/zinc/91/12/16/1056911216.db2.gz PPHUBWJNKUBVET-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)cc1C(F)(F)F ZINC001241127146 1056911222 /nfs/dbraw/zinc/91/12/22/1056911222.db2.gz PPHUBWJNKUBVET-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM O=C([N-]c1ccnc(F)c1F)c1ccc(-c2ccccc2F)o1 ZINC001618223898 1056936722 /nfs/dbraw/zinc/93/67/22/1056936722.db2.gz UYAZPNREUJCNAP-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3ccccc3nc2C(F)(F)F)c1 ZINC001241262046 1056984797 /nfs/dbraw/zinc/98/47/97/1056984797.db2.gz IEKDMPLCKUMAMB-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM Nc1cccc(-c2cc3nc(-c4cc([O-])cc(F)c4)ccc3[nH]2)c1 ZINC001241262537 1056985866 /nfs/dbraw/zinc/98/58/66/1056985866.db2.gz NRHPQBHESWGCKO-UHFFFAOYSA-N -1 3 319.339 4.324 20 0 DIADHM [O-]c1cc(F)cc(-c2ccnc(CSc3ccccc3)n2)c1 ZINC001241262248 1056986061 /nfs/dbraw/zinc/98/60/61/1056986061.db2.gz YJWIPHBBFLKYNT-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM COC(=O)c1cc2cccc(-c3cc([O-])cc(F)c3)c2s1 ZINC001241272675 1056991348 /nfs/dbraw/zinc/99/13/48/1056991348.db2.gz VMYBLSXHBRMWRK-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COc1cc(-c2cc([O-])cc(F)c2)ccc1OC(F)(F)F ZINC001241281472 1056994621 /nfs/dbraw/zinc/99/46/21/1056994621.db2.gz CMZOZBMUOOGOLL-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COc1ccc(-c2c(F)ccc([O-])c2F)c2ccc(C)nc12 ZINC001241292549 1056999725 /nfs/dbraw/zinc/99/97/25/1056999725.db2.gz FUHIOMJOLHFCSW-UHFFFAOYSA-N -1 3 301.292 4.203 20 0 DIADHM [O-]c1ccc(F)c(-c2cncc(-c3nc4ccccc4[nH]3)c2)c1F ZINC001241292483 1057000044 /nfs/dbraw/zinc/00/00/44/1057000044.db2.gz BMUHCUXMLSVWNV-UHFFFAOYSA-N -1 3 323.302 4.276 20 0 DIADHM COc1cccc(C(F)(F)F)c1-c1c(F)ccc([O-])c1F ZINC001241293460 1057000835 /nfs/dbraw/zinc/00/08/35/1057000835.db2.gz GIHAECVJPJVMBW-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293770 1057000866 /nfs/dbraw/zinc/00/08/66/1057000866.db2.gz ATBKCEXQWFIVAZ-UHFFFAOYSA-N -1 3 320.335 4.223 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2c(F)ccc([O-])c2F)cc1)C(C)C ZINC001241293729 1057001463 /nfs/dbraw/zinc/00/14/63/1057001463.db2.gz MBSOYVZLCZUTAA-HNNXBMFYSA-N -1 3 320.335 4.250 20 0 DIADHM [O-]c1ccc(F)c(-c2cncc(OCc3ccccc3)c2)c1F ZINC001241293675 1057001476 /nfs/dbraw/zinc/00/14/76/1057001476.db2.gz ZIAGLEJMNHRTBS-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C([O-])c1cccc(-c2ccc(CN3CCCCC3)c(F)c2)c1 ZINC001241360590 1057027131 /nfs/dbraw/zinc/02/71/31/1057027131.db2.gz GIXPZRMQIXTBPX-UHFFFAOYSA-N -1 3 313.372 4.177 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(-c3ccco3)cc2F)c1[O-] ZINC001626087425 1057065122 /nfs/dbraw/zinc/06/51/22/1057065122.db2.gz NWIXNGURVNGXID-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CC2)CC1 ZINC000673809738 1057133457 /nfs/dbraw/zinc/13/34/57/1057133457.db2.gz RDAFQOSMVYVEIO-UHFFFAOYSA-N -1 3 323.392 4.201 20 0 DIADHM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc2ccccc21 ZINC001626095026 1057183791 /nfs/dbraw/zinc/18/37/91/1057183791.db2.gz PAHITTSMLHZKIY-CYBMUJFWSA-N -1 3 313.294 4.308 20 0 DIADHM COc1ccc(-c2ccc(-c3nnn[n-]3)cc2C)c2ccccc12 ZINC001241980593 1057229976 /nfs/dbraw/zinc/22/99/76/1057229976.db2.gz XPEYOLPMGAQCIZ-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc(-c2ccc(-c3nn[n-]n3)cc2C)c2ccccc12 ZINC001241980593 1057229979 /nfs/dbraw/zinc/22/99/79/1057229979.db2.gz XPEYOLPMGAQCIZ-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM CS[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000172402509 1057257879 /nfs/dbraw/zinc/25/78/79/1057257879.db2.gz URCSTKRVZHSMBT-CQSZACIVSA-N -1 3 307.802 4.088 20 0 DIADHM COC(OC)c1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157861 1057283140 /nfs/dbraw/zinc/28/31/40/1057283140.db2.gz NPTRVKTWXCDPGN-UHFFFAOYSA-N -1 3 312.287 4.369 20 0 DIADHM [O-]c1ccc(-c2cccc(C3OCCO3)c2)cc1C(F)(F)F ZINC001242157147 1057283232 /nfs/dbraw/zinc/28/32/32/1057283232.db2.gz FGJCZRXWLIVMSW-UHFFFAOYSA-N -1 3 310.271 4.123 20 0 DIADHM COC(=O)c1cccc(C)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157872 1057283607 /nfs/dbraw/zinc/28/36/07/1057283607.db2.gz NTIDOYLQPGTORS-UHFFFAOYSA-N -1 3 310.271 4.173 20 0 DIADHM [O-]c1ccc(-c2cncc(C(F)(F)F)c2)cc1C(F)(F)F ZINC001242158273 1057284366 /nfs/dbraw/zinc/28/43/66/1057284366.db2.gz VWWOSCTYZYACSH-UHFFFAOYSA-N -1 3 307.193 4.492 20 0 DIADHM COCc1ccc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242161942 1057284701 /nfs/dbraw/zinc/28/47/01/1057284701.db2.gz GRPASFMWSNCMEY-UHFFFAOYSA-N -1 3 300.251 4.364 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3c[nH]cn3)cc2)cc1C(F)(F)F ZINC001242166090 1057285271 /nfs/dbraw/zinc/28/52/71/1057285271.db2.gz MWFAFUKLTJDRPM-UHFFFAOYSA-N -1 3 304.271 4.468 20 0 DIADHM Nc1ccc2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c2n1 ZINC001242165631 1057285295 /nfs/dbraw/zinc/28/52/95/1057285295.db2.gz GYNSFGFBMKUQGU-UHFFFAOYSA-N -1 3 304.271 4.208 20 0 DIADHM O=c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cn1CC1CCC1 ZINC001242166038 1057285876 /nfs/dbraw/zinc/28/58/76/1057285876.db2.gz LDCWUYNDMOPVEI-UHFFFAOYSA-N -1 3 323.314 4.040 20 0 DIADHM [O-]c1ccc(-c2ccccc2-c2ncc[nH]2)cc1C(F)(F)F ZINC001242166032 1057286022 /nfs/dbraw/zinc/28/60/22/1057286022.db2.gz KWQJMZOHYJBKKG-UHFFFAOYSA-N -1 3 304.271 4.468 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3ccc(F)cc3[O-])cc12 ZINC001242217639 1057297157 /nfs/dbraw/zinc/29/71/57/1057297157.db2.gz HTIQUBJETPDTHW-UHFFFAOYSA-N -1 3 314.312 4.050 20 0 DIADHM [O-]c1cc(F)ccc1-c1cnc2[nH]c(-c3ccccc3)nc2c1 ZINC001242220743 1057298216 /nfs/dbraw/zinc/29/82/16/1057298216.db2.gz OCIAPYYPBZCRGB-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CC(C)(C)OC(=O)Cc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242221101 1057298256 /nfs/dbraw/zinc/29/82/56/1057298256.db2.gz JUEQIZASJJMEAA-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(F)cc1[O-] ZINC001242221112 1057298647 /nfs/dbraw/zinc/29/86/47/1057298647.db2.gz PRHQGRAKQBPSTP-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM CCOc1cc(Nc2cc([O-])c(F)cc2F)c(F)cc1F ZINC001212531829 1057327335 /nfs/dbraw/zinc/32/73/35/1057327335.db2.gz VLUKEEADCIBPFB-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM [O-]c1c(F)cccc1-c1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001242351180 1057342032 /nfs/dbraw/zinc/34/20/32/1057342032.db2.gz PMWITMHTUOVGBW-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM Cc1cc(C(=O)OC(C)(C)C)ccc1-c1cccc(F)c1[O-] ZINC001242352737 1057342516 /nfs/dbraw/zinc/34/25/16/1057342516.db2.gz OXPSNFYHIFDZLG-UHFFFAOYSA-N -1 3 302.345 4.462 20 0 DIADHM [O-]c1c(F)cccc1-c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001242351308 1057342811 /nfs/dbraw/zinc/34/28/11/1057342811.db2.gz GFAJVGYGBFWLNE-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM O=C(Nc1ccc(-c2cccc(F)c2[O-])cc1)c1ccccc1 ZINC001242352454 1057342875 /nfs/dbraw/zinc/34/28/75/1057342875.db2.gz IWNDHBCGRZVIAW-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM COC(=O)c1cc2cc(-c3cccc(F)c3[O-])ccc2s1 ZINC001242351694 1057342914 /nfs/dbraw/zinc/34/29/14/1057342914.db2.gz PCKHOMIQCZBBLD-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM Cc1csc2cnc(-c3cc([O-])cc(C(F)(F)F)c3)nc12 ZINC001242781356 1057472926 /nfs/dbraw/zinc/47/29/26/1057472926.db2.gz DXZJKOJNIMKUSO-UHFFFAOYSA-N -1 3 310.300 4.391 20 0 DIADHM COc1ccc2nc(-c3cc([O-])cc(C(F)(F)F)c3)ncc2c1 ZINC001242780552 1057473018 /nfs/dbraw/zinc/47/30/18/1057473018.db2.gz OTAGSLBTJZAAIU-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM [O-]c1cc(-c2ncc3cc(F)ccc3n2)cc(C(F)(F)F)c1 ZINC001242780785 1057473439 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C[C@H]1CCc2c(sc3ncnc(-c4ccc(F)c([O-])c4)c23)C1 ZINC001243054783 1057559534 /nfs/dbraw/zinc/55/95/34/1057559534.db2.gz SIRYQHYMQUZRJM-VIFPVBQESA-N -1 3 314.385 4.328 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2ccc(F)c([O-])c2)c1 ZINC001243063866 1057562141 /nfs/dbraw/zinc/56/21/41/1057562141.db2.gz WYAZESZBXIICOE-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM Cc1ccc(-c2ccc3c(c2)C(C(C)C)=NCC3)cc1C(=O)[O-] ZINC001243196903 1057600468 /nfs/dbraw/zinc/60/04/68/1057600468.db2.gz LFERRNHRPJPWSV-UHFFFAOYSA-N -1 3 307.393 4.361 20 0 DIADHM Cc1cc(C(=O)[O-])ccc1-c1ccc(F)c(CN2CCCC2)c1 ZINC001243211893 1057606968 /nfs/dbraw/zinc/60/69/68/1057606968.db2.gz HPDYJPDVRBXRDT-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM CC(C)C1=NCCc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243341475 1057653272 /nfs/dbraw/zinc/65/32/72/1057653272.db2.gz QZJJETOBGNJQOZ-UHFFFAOYSA-N -1 3 301.336 4.339 20 0 DIADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525932028 1057657712 /nfs/dbraw/zinc/65/77/12/1057657712.db2.gz 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308.259 4.143 20 0 DIADHM CSc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244460598 1057964878 /nfs/dbraw/zinc/96/48/78/1057964878.db2.gz IFTPUAVCTUNCOY-UHFFFAOYSA-N -1 3 301.289 4.075 20 0 DIADHM CSc1ncc2cc(-c3ccc(Cl)cc3[O-])ccc2n1 ZINC001244469247 1057967902 /nfs/dbraw/zinc/96/79/02/1057967902.db2.gz CREDGTQVFQLOSV-UHFFFAOYSA-N -1 3 302.786 4.378 20 0 DIADHM CCOC(=O)CCc1ccccc1-c1ccc(Cl)cc1[O-] ZINC001244469891 1057968022 /nfs/dbraw/zinc/96/80/22/1057968022.db2.gz SJEQZHWJNFZQHZ-UHFFFAOYSA-N -1 3 304.773 4.208 20 0 DIADHM CC1(C)CC(=O)Nc2c(-c3ccc(Cl)cc3[O-])cccc21 ZINC001244470910 1057968573 /nfs/dbraw/zinc/96/85/73/1057968573.db2.gz BTIFYVCLLZDCPD-UHFFFAOYSA-N -1 3 301.773 4.332 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccnc(OCc2ccccn2)c1 ZINC001244472135 1057968957 /nfs/dbraw/zinc/96/89/57/1057968957.db2.gz KVYLNCYHOQEFQQ-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM Cc1cc(-c2ccc(Cl)cc2[O-])cnc1OCC(F)(F)F ZINC001244473142 1057969296 /nfs/dbraw/zinc/96/92/96/1057969296.db2.gz 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Cc1cc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc([O-])c1F ZINC001244521789 1057984508 /nfs/dbraw/zinc/98/45/08/1057984508.db2.gz XKNDDGKPEAQBIY-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1cc(C)c(F)c([O-])c1 ZINC001244524326 1057985287 /nfs/dbraw/zinc/98/52/87/1057985287.db2.gz BNLULVDWVCMFBR-UHFFFAOYSA-N -1 3 316.250 4.414 20 0 DIADHM CC(=O)Nc1cc(F)c(-c2cc(C)c([O-])c(Cl)c2)cc1C ZINC001244536965 1057988926 /nfs/dbraw/zinc/98/89/26/1057988926.db2.gz CPTWJJTZQKCWIL-UHFFFAOYSA-N -1 3 307.752 4.427 20 0 DIADHM COC(=O)C(C)(C)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244537533 1057989317 /nfs/dbraw/zinc/98/93/17/1057989317.db2.gz MQOYDHDOAPBBIO-UHFFFAOYSA-N -1 3 318.800 4.472 20 0 DIADHM CC(=O)O[C@H]1Cc2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2C1 ZINC001244538086 1057989729 /nfs/dbraw/zinc/98/97/29/1057989729.db2.gz RBRFKGLXFHVYKU-INIZCTEOSA-N -1 3 316.784 4.051 20 0 DIADHM Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc(Cl)c1[O-] ZINC001244538675 1057990075 /nfs/dbraw/zinc/99/00/75/1057990075.db2.gz VVUZQVIOSDVWAI-UHFFFAOYSA-N -1 3 318.804 4.401 20 0 DIADHM Cc1cc(-c2ccc3c(c2)SCC(=O)N3)cc(Cl)c1[O-] ZINC001244546723 1057992794 /nfs/dbraw/zinc/99/27/94/1057992794.db2.gz HUURDYODIYPALR-UHFFFAOYSA-N -1 3 305.786 4.065 20 0 DIADHM Cc1cc(-c2cccc(C3(C)OCCO3)c2)cc(Cl)c1[O-] ZINC001244548020 1057992831 /nfs/dbraw/zinc/99/28/31/1057992831.db2.gz RZYISKLPNQGTGQ-UHFFFAOYSA-N -1 3 304.773 4.241 20 0 DIADHM COc1cc(OC)c(-c2cc(C)c([O-])c(Cl)c2)c(OC)c1 ZINC001244546019 1057992891 /nfs/dbraw/zinc/99/28/91/1057992891.db2.gz CTMQXDSFXUUZLW-UHFFFAOYSA-N -1 3 308.761 4.047 20 0 DIADHM COC(OC)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244546164 1057992941 /nfs/dbraw/zinc/99/29/41/1057992941.db2.gz FREPJSSTYJPBDZ-UHFFFAOYSA-N -1 3 310.752 4.452 20 0 DIADHM COC(=O)CCc1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244550356 1057993399 /nfs/dbraw/zinc/99/33/99/1057993399.db2.gz BVCDBKJNYUFWLV-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM COc1cc(C(F)(F)F)c(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244554818 1057994206 /nfs/dbraw/zinc/99/42/06/1057994206.db2.gz OUIOGSSNQPZIEP-UHFFFAOYSA-N -1 3 317.694 4.443 20 0 DIADHM COC(=O)c1c(F)cc(C)cc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244553605 1057994288 /nfs/dbraw/zinc/99/42/88/1057994288.db2.gz FUGNQAWAECSGBA-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM CCCOc1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(Cl)cn1 ZINC001244608967 1058008340 /nfs/dbraw/zinc/00/83/40/1058008340.db2.gz NCWTUIIXUFBDKT-UHFFFAOYSA-N -1 3 318.829 4.486 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245051598 1058103538 /nfs/dbraw/zinc/10/35/38/1058103538.db2.gz DSPBPGJROAFARQ-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM CC1(C)C(=O)Nc2cc(F)c(-c3cc(Cl)ccc3[O-])cc21 ZINC001245055870 1058103901 /nfs/dbraw/zinc/10/39/01/1058103901.db2.gz XSXFGAYJCIOLNY-UHFFFAOYSA-N -1 3 305.736 4.081 20 0 DIADHM Cc1nc(C)c(-c2ccc(-c3ccc([O-])cc3Cl)nn2)s1 ZINC001245079851 1058107579 /nfs/dbraw/zinc/10/75/79/1058107579.db2.gz QQOKTVIINBPFPN-UHFFFAOYSA-N -1 3 317.801 4.243 20 0 DIADHM CCCN(CCC)c1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245078452 1058107590 /nfs/dbraw/zinc/10/75/90/1058107590.db2.gz MKBOZKLMLAFUHL-UHFFFAOYSA-N -1 3 305.809 4.129 20 0 DIADHM O=C(Nc1ccccc1)c1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245079985 1058107697 /nfs/dbraw/zinc/10/76/97/1058107697.db2.gz VLXMZLPOAVFWKI-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM COc1cc2nc(-c3ccc([O-])cc3Cl)ccc2c(OC)c1 ZINC001245078270 1058107805 /nfs/dbraw/zinc/10/78/05/1058107805.db2.gz BOAIPAPFBTZMMG-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM CC[C@H](C)c1nc2[nH]ccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245078805 1058108014 /nfs/dbraw/zinc/10/80/14/1058108014.db2.gz HPADBRSPCDYYKH-VIFPVBQESA-N -1 3 301.777 4.449 20 0 DIADHM COc1ccc(-c2cnc(-c3ccc([O-])cc3Cl)nc2)cc1 ZINC001245081745 1058108265 /nfs/dbraw/zinc/10/82/65/1058108265.db2.gz LLLWLYGJLMNUDQ-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM [O-]c1ccc(-c2cc(OCC(F)(F)F)ccn2)c(Cl)c1 ZINC001245081575 1058108448 /nfs/dbraw/zinc/10/84/48/1058108448.db2.gz IJBZDIFTWYGWFM-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM [O-]c1ccc(-c2nccc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC001245081146 1058108618 /nfs/dbraw/zinc/10/86/18/1058108618.db2.gz ATFKFAVKCRXELB-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM Fc1ccccc1COc1ccc(-c2ccc(=S)[n-]n2)cc1 ZINC001245293642 1058141716 /nfs/dbraw/zinc/14/17/16/1058141716.db2.gz DROUGOTZIPLBES-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM Cc1c(C(=O)[O-])cccc1-c1ccc(CN2CCCC2)c(F)c1 ZINC001245299925 1058142831 /nfs/dbraw/zinc/14/28/31/1058142831.db2.gz IGJRRDZQBPRRKL-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001545245042 1058189554 /nfs/dbraw/zinc/18/95/54/1058189554.db2.gz IOSYVCPJAPCTKU-LSDHHAIUSA-N -1 3 321.486 4.310 20 0 DIADHM CCC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001545511117 1058208098 /nfs/dbraw/zinc/20/80/98/1058208098.db2.gz XFVUSSDFCXWXCZ-GFCCVEGCSA-N -1 3 303.427 4.259 20 0 DIADHM CC(C)CCC1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC001545610582 1058212542 /nfs/dbraw/zinc/21/25/42/1058212542.db2.gz YZTSAQOLNQOQDM-UHFFFAOYSA-N -1 3 309.837 4.334 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(OCc2cccc(F)c2)nc1 ZINC001245655213 1058313276 /nfs/dbraw/zinc/31/32/76/1058313276.db2.gz PCNPGJWPHLFENC-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(F)cc1-c1c([O-])cccc1F ZINC001245655574 1058313909 /nfs/dbraw/zinc/31/39/09/1058313909.db2.gz FHPQJNLPCISOFE-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2c([O-])cccc2F)cc1F ZINC001245656934 1058314835 /nfs/dbraw/zinc/31/48/35/1058314835.db2.gz VWXZYSBRARYXAX-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM CCOC(=O)c1cc2c(ccc(-c3c([O-])cccc3F)c2C)o1 ZINC001245657104 1058315112 /nfs/dbraw/zinc/31/51/12/1058315112.db2.gz RESRHRYNZWYTDL-UHFFFAOYSA-N -1 3 314.312 4.430 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001245654896 1058315151 /nfs/dbraw/zinc/31/51/51/1058315151.db2.gz GYIBZZMPRYQXMI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(Cl)cccc1Cl ZINC001245679202 1058340906 /nfs/dbraw/zinc/34/09/06/1058340906.db2.gz TZBVMTLYZDBWHQ-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(Cl)cccc1Cl ZINC001245679202 1058340923 /nfs/dbraw/zinc/34/09/23/1058340923.db2.gz TZBVMTLYZDBWHQ-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM CSc1c(Cl)cccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001245778938 1058466077 /nfs/dbraw/zinc/46/60/77/1058466077.db2.gz VFEVNIHKXJFFEX-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1c(Cl)cccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001245778938 1058466089 /nfs/dbraw/zinc/46/60/89/1058466089.db2.gz VFEVNIHKXJFFEX-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c1 ZINC001556281390 1058573136 /nfs/dbraw/zinc/57/31/36/1058573136.db2.gz HJWFMPXERSXIOW-KBPBESRZSA-N -1 3 321.486 4.449 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)c1 ZINC001556281392 1058573889 /nfs/dbraw/zinc/57/38/89/1058573889.db2.gz HJWFMPXERSXIOW-UONOGXRCSA-N -1 3 321.486 4.449 20 0 DIADHM COc1ccccc1CO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC001556398446 1058586243 /nfs/dbraw/zinc/58/62/43/1058586243.db2.gz FQCAYFMGBVTBNX-OAHLLOKOSA-N -1 3 305.418 4.016 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)c1[O-] ZINC001556415926 1058589427 /nfs/dbraw/zinc/58/94/27/1058589427.db2.gz HPLTXNGWQMQGKT-INIZCTEOSA-N -1 3 309.409 4.491 20 0 DIADHM CC[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(OC)cc1 ZINC001556784177 1058642598 /nfs/dbraw/zinc/64/25/98/1058642598.db2.gz MSAYFNGRIZTARY-ZDUSSCGKSA-N -1 3 319.788 4.187 20 0 DIADHM CC[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(OC)cc1 ZINC001556784176 1058643054 /nfs/dbraw/zinc/64/30/54/1058643054.db2.gz MSAYFNGRIZTARY-CYBMUJFWSA-N -1 3 319.788 4.187 20 0 DIADHM CCc1cccc(N(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001556938504 1058671632 /nfs/dbraw/zinc/67/16/32/1058671632.db2.gz XGTATSLXTLOZAN-UHFFFAOYSA-N -1 3 305.377 4.384 20 0 DIADHM CCCO[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001557193754 1058712426 /nfs/dbraw/zinc/71/24/26/1058712426.db2.gz ZVZDZDBCKMVLDH-UHFFFAOYSA-N -1 3 309.409 4.038 20 0 DIADHM Cc1ccc(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)c([O-])c1 ZINC001557479052 1058755905 /nfs/dbraw/zinc/75/59/05/1058755905.db2.gz LHUQISDDPMTDGC-UHFFFAOYSA-N -1 3 311.425 4.489 20 0 DIADHM CC1(C)CC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001557604594 1058774027 /nfs/dbraw/zinc/77/40/27/1058774027.db2.gz GWDLVACTFAHZBR-UHFFFAOYSA-N -1 3 323.436 4.096 20 0 DIADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC001557927996 1058812811 /nfs/dbraw/zinc/81/28/11/1058812811.db2.gz WZRIZNWIOXKSBV-RRUGBERISA-N -1 3 315.438 4.306 20 0 DIADHM Cc1ccc(C(=O)Nc2nc3c(ccc(C)c3C)s2)c([O-])c1 ZINC001557947847 1058815095 /nfs/dbraw/zinc/81/50/95/1058815095.db2.gz AXIKUCAJBYAHER-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N(Cc1ccoc1)C1CC1 ZINC001558549398 1058882013 /nfs/dbraw/zinc/88/20/13/1058882013.db2.gz CFTGKXFGPULQIX-UHFFFAOYSA-N -1 3 313.378 4.005 20 0 DIADHM C[C@@H](Sc1cc(Cl)nc(=O)[n-]1)c1ccc(Cl)cc1 ZINC001559086766 1058976827 /nfs/dbraw/zinc/97/68/27/1058976827.db2.gz NCEZHUAAJLFPPG-SSDOTTSWSA-N -1 3 301.198 4.342 20 0 DIADHM Cc1ccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c(Cl)c1 ZINC001247564414 1059546868 /nfs/dbraw/zinc/54/68/68/1059546868.db2.gz HZVLMAHSJQYGNY-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM [O-]c1ccc(Cc2nc(-c3cccc4ccccc43)no2)c(F)c1 ZINC001248142598 1059738118 /nfs/dbraw/zinc/73/81/18/1059738118.db2.gz TXXFWYWXYVJOAM-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1nc(C(C)C)ccc1COC(=O)c1cccc(Cl)c1[O-] ZINC001534109428 1060143528 /nfs/dbraw/zinc/14/35/28/1060143528.db2.gz MFUOYELMHJUJRP-UHFFFAOYSA-N -1 3 319.788 4.229 20 0 DIADHM CCc1cccc(C)c1NC(=S)Nc1ccc([O-])c(F)c1 ZINC001249560321 1060290657 /nfs/dbraw/zinc/29/06/57/1060290657.db2.gz BRSRCIHLZVJNJV-UHFFFAOYSA-N -1 3 304.390 4.211 20 0 DIADHM C[C@H](NC(=S)Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001249603776 1060308833 /nfs/dbraw/zinc/30/88/33/1060308833.db2.gz JSYJGDPINQLSEN-VIFPVBQESA-N -1 3 324.808 4.232 20 0 DIADHM Cc1ccc(Nc2cc(F)cc(N)c2Cl)c(Cl)c1[O-] ZINC001249653663 1060338297 /nfs/dbraw/zinc/33/82/97/1060338297.db2.gz UAPDOFZPIDZECA-UHFFFAOYSA-N -1 3 301.148 4.472 20 0 DIADHM O=C1CCCCc2ccc(Nc3cc(F)c(F)cc3[O-])cc21 ZINC001249893154 1060456144 /nfs/dbraw/zinc/45/61/44/1060456144.db2.gz KRWFHEYJRJLJOQ-UHFFFAOYSA-N -1 3 303.308 4.323 20 0 DIADHM COc1cc(OC)c(Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC001250099029 1060606688 /nfs/dbraw/zinc/60/66/88/1060606688.db2.gz ARINTGLWRYGPBD-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM CSc1cnc(F)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001250136376 1060639907 /nfs/dbraw/zinc/63/99/07/1060639907.db2.gz FKRKXDLVWXKCTF-UHFFFAOYSA-N -1 3 307.375 4.002 20 0 DIADHM C[C@H]1CSc2ccccc2N(Cc2ccc([O-])c(F)c2)C1 ZINC001560865618 1060726403 /nfs/dbraw/zinc/72/64/03/1060726403.db2.gz FVJPXMFGHVWWMF-GFCCVEGCSA-N -1 3 303.402 4.280 20 0 DIADHM [O-]c1ccc(Nc2ccc(CO)c(F)c2Cl)cc1Cl ZINC001250297891 1060763862 /nfs/dbraw/zinc/76/38/62/1060763862.db2.gz JIYNIBZZERJDCI-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM C[C@@H](CSc1ccccc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001560919579 1060783589 /nfs/dbraw/zinc/78/35/89/1060783589.db2.gz IGDOSVLDPJQLTK-LBPRGKRZSA-N -1 3 323.408 4.283 20 0 DIADHM Cc1cc2[nH]c(-c3cc(Br)ccc3[O-])nc2cc1F ZINC001250458342 1060815722 /nfs/dbraw/zinc/81/57/22/1060815722.db2.gz XFDZAHVBRHLXLE-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM COc1cc2nc(-c3cc(Cl)ccc3[O-])[nH]c2cc1Cl ZINC001250458224 1060817365 /nfs/dbraw/zinc/81/73/65/1060817365.db2.gz QTCVOJFXWABJBM-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001561221983 1060919901 /nfs/dbraw/zinc/91/99/01/1060919901.db2.gz QOFOMAGATXKBJF-MNOVXSKESA-N -1 3 321.895 4.039 20 0 DIADHM CC(C)c1ccc(C2(C[N-]C(=O)C(F)(F)F)CCCC2)cc1 ZINC001561243856 1060921139 /nfs/dbraw/zinc/92/11/39/1060921139.db2.gz FNLQWIMLMGBJCC-UHFFFAOYSA-N -1 3 313.363 4.300 20 0 DIADHM [O-]c1cccc(F)c1-c1nc2cc(-c3ccncc3)ccc2[nH]1 ZINC001250674443 1061007370 /nfs/dbraw/zinc/00/73/70/1061007370.db2.gz PRDGQZQGIBLTOK-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cccc(F)c1-c1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001250674443 1061007386 /nfs/dbraw/zinc/00/73/86/1061007386.db2.gz PRDGQZQGIBLTOK-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1c(F)cccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC001250683537 1061015377 /nfs/dbraw/zinc/01/53/77/1061015377.db2.gz KIBHYQYTWPWITM-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CC[C@H](C)[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462235065 1061045698 /nfs/dbraw/zinc/04/56/98/1061045698.db2.gz NJQSFXXLRRYLIZ-RYUDHWBXSA-N -1 3 316.367 4.020 20 0 DIADHM Cc1cccc2[nH]c(-c3c([O-])cccc3Br)nc21 ZINC001250844116 1061092916 /nfs/dbraw/zinc/09/29/16/1061092916.db2.gz URGMGJMIWRKUIA-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM COc1ccc(NCc2c(F)ccc([O-])c2F)cc1SC ZINC001462337901 1061115537 /nfs/dbraw/zinc/11/55/37/1061115537.db2.gz XCVLFMNAWLLQDB-UHFFFAOYSA-N -1 3 311.353 4.013 20 0 DIADHM Cc1ccc(CNCc2ccc([O-])c(F)c2F)c2ccccc12 ZINC001462349691 1061122149 /nfs/dbraw/zinc/12/21/49/1061122149.db2.gz UFYDXZBVDSDZLP-UHFFFAOYSA-N -1 3 313.347 4.422 20 0 DIADHM COc1c(C)cc(Cl)cc1NCc1c(F)ccc([O-])c1F ZINC001462434301 1061171594 /nfs/dbraw/zinc/17/15/94/1061171594.db2.gz BIVVBJFIHGQPCV-UHFFFAOYSA-N -1 3 313.731 4.253 20 0 DIADHM Cc1cccc2c1nc(-c1ccc([O-])c(C(F)(F)F)c1)n2C ZINC001251019725 1061185226 /nfs/dbraw/zinc/18/52/26/1061185226.db2.gz FBBARDGHOMHPJG-UHFFFAOYSA-N -1 3 306.287 4.273 20 0 DIADHM CC(C)(CCC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC001455080739 1061205716 /nfs/dbraw/zinc/20/57/16/1061205716.db2.gz RAHBVBSURYYPOT-UHFFFAOYSA-N -1 3 317.351 4.135 20 0 DIADHM COc1cc([O-])c(-c2nc3c(ccc(C)c3C)[nH]2)cc1Cl ZINC001251082321 1061225936 /nfs/dbraw/zinc/22/59/36/1061225936.db2.gz FRKMGQWMDVZZST-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM C[C@H]1CC[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001455839720 1061236697 /nfs/dbraw/zinc/23/66/97/1061236697.db2.gz WFPROPIWGLQZSQ-MAUKXSAKSA-N -1 3 323.436 4.096 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC001456088775 1061266444 /nfs/dbraw/zinc/26/64/44/1061266444.db2.gz YIVVIXCLYNBGHM-BEFAXECRSA-N -1 3 323.436 4.363 20 0 DIADHM CCOc1ccc2nc(-c3cccc([O-])c3F)n(C3CC3)c2c1 ZINC001251255699 1061290257 /nfs/dbraw/zinc/29/02/57/1061290257.db2.gz UUFXIUNAIPFZOX-UHFFFAOYSA-N -1 3 312.344 4.282 20 0 DIADHM Cc1c[nH]c(=O)c(-c2nc3cc(-c4cccs4)ccc3[n-]2)c1 ZINC001251288002 1061303631 /nfs/dbraw/zinc/30/36/31/1061303631.db2.gz ATDBMKKQDCPKBG-UHFFFAOYSA-N -1 3 307.378 4.367 20 0 DIADHM COc1ccc(-c2nc3cc4c(cc3[nH]2)CCC4)c(Cl)c1[O-] ZINC001251335603 1061318666 /nfs/dbraw/zinc/31/86/66/1061318666.db2.gz LOVPONYSZLRFAV-UHFFFAOYSA-N -1 3 314.772 4.086 20 0 DIADHM COc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)c(Cl)c1[O-] ZINC001251335332 1061319972 /nfs/dbraw/zinc/31/99/72/1061319972.db2.gz BERXHPOKKHSABS-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM COc1ccc(-c2nc3c(cccc3Cl)[nH]2)c(Cl)c1[O-] ZINC001251335793 1061321204 /nfs/dbraw/zinc/32/12/04/1061321204.db2.gz QJYVEPVOAGMOFV-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM CCn1c2cc(C)ccc2nc1-c1ccc(OC)c([O-])c1Cl ZINC001251338302 1061322187 /nfs/dbraw/zinc/32/21/87/1061322187.db2.gz CPJUMTIXALEOKN-UHFFFAOYSA-N -1 3 316.788 4.399 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001251349477 1061331147 /nfs/dbraw/zinc/33/11/47/1061331147.db2.gz RIXXXFAPGBKBFH-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM C=Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC001251497034 1061382534 /nfs/dbraw/zinc/38/25/34/1061382534.db2.gz TYKYXGXGWREWRO-UHFFFAOYSA-N -1 3 301.411 4.056 20 0 DIADHM CCOc1ccc2nc(-c3cc(Cl)cc(F)c3[O-])[nH]c2c1 ZINC001251634612 1061427012 /nfs/dbraw/zinc/42/70/12/1061427012.db2.gz JAMVZUXPLSJILT-UHFFFAOYSA-N -1 3 306.724 4.127 20 0 DIADHM [O-]c1c(Cl)cc(F)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC001251659015 1061435484 /nfs/dbraw/zinc/43/54/84/1061435484.db2.gz QDCMOVLBTYQKSA-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM Cc1ccccc1[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C ZINC001457423699 1061453844 /nfs/dbraw/zinc/45/38/44/1061453844.db2.gz DIOLVGAMXXMILJ-LLVKDONJSA-N -1 3 305.315 4.099 20 0 DIADHM Cc1cc(-c2nc3cc(F)ccc3[nH]2)c([O-])cc1Br ZINC001251859629 1061512756 /nfs/dbraw/zinc/51/27/56/1061512756.db2.gz GPUBCFOTBXDAJG-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251886426 1061524186 /nfs/dbraw/zinc/52/41/86/1061524186.db2.gz IHWHZCHPUMZWJS-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM CCc1cccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1[O-] ZINC001463881380 1061529054 /nfs/dbraw/zinc/52/90/54/1061529054.db2.gz BXHBEPVUZQJUGA-GOSISDBHSA-N -1 3 309.409 4.144 20 0 DIADHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001464066449 1061551433 /nfs/dbraw/zinc/55/14/33/1061551433.db2.gz OCLCHSXPXWGJSM-SECBINFHSA-N -1 3 324.273 4.096 20 0 DIADHM CCN(Cc1ccc(C)cc1)C(=O)c1cc([O-])ccc1Cl ZINC001464066701 1061551944 /nfs/dbraw/zinc/55/19/44/1061551944.db2.gz RMMDHVLFAUKYSB-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM Cc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)c(C)c1 ZINC001464067028 1061552598 /nfs/dbraw/zinc/55/25/98/1061552598.db2.gz KEWIUBYPIPZHRX-UHFFFAOYSA-N -1 3 311.406 4.154 20 0 DIADHM CCc1ccc(CN(C(=O)c2ccc(C)cc2[O-])C2CC2)cc1 ZINC001464070028 1061554835 /nfs/dbraw/zinc/55/48/35/1061554835.db2.gz QSKPHJXRYSZQEA-UHFFFAOYSA-N -1 3 309.409 4.068 20 0 DIADHM CCCC[C@H](O)CNc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001252102797 1061574126 /nfs/dbraw/zinc/57/41/26/1061574126.db2.gz LTIAJPLTYOXRME-VIFPVBQESA-N -1 3 306.233 4.224 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252178976 1061602299 /nfs/dbraw/zinc/60/22/99/1061602299.db2.gz COFLKIMDDINCGW-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nnc(-c4ccc(F)cc4)o3)c2c1 ZINC001252179010 1061602781 /nfs/dbraw/zinc/60/27/81/1061602781.db2.gz DHJUVNHGBSQSAK-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Fc1ccc(-c2nnc(-c3nc4cc(Cl)ccc4[n-]3)o2)cc1 ZINC001252170878 1061603250 /nfs/dbraw/zinc/60/32/50/1061603250.db2.gz SECBYWSMFPLFAQ-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1cccc(C(=O)Nc2cnccc2Oc2ccccc2)c1[O-] ZINC001464547530 1061605720 /nfs/dbraw/zinc/60/57/20/1061605720.db2.gz AAULJYNRJZTBEZ-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC(=O)c1ccc(C(=O)N(CCC(C)C)C2CCCC2)cc1[O-] ZINC001464550750 1061606034 /nfs/dbraw/zinc/60/60/34/1061606034.db2.gz ZVPZAMDYMFYABK-UHFFFAOYSA-N -1 3 317.429 4.026 20 0 DIADHM CC(C)n1cc(NC(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001252376169 1061637993 /nfs/dbraw/zinc/63/79/93/1061637993.db2.gz OOUNLKLTUIIXNT-UHFFFAOYSA-N -1 3 324.384 4.041 20 0 DIADHM CC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC001465011425 1061662016 /nfs/dbraw/zinc/66/20/16/1061662016.db2.gz IBAVGYCDIRINPW-UHFFFAOYSA-N -1 3 323.436 4.293 20 0 DIADHM CC[C@](C)(NC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001465191839 1061705034 /nfs/dbraw/zinc/70/50/34/1061705034.db2.gz PLWRMZMPVNEYEH-SFHVURJKSA-N -1 3 315.438 4.169 20 0 DIADHM CCc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c([O-])c1 ZINC001465251592 1061717984 /nfs/dbraw/zinc/71/79/84/1061717984.db2.gz RRDRJJULNRLJIH-MRXNPFEDSA-N -1 3 313.397 4.305 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](CC)c2ccc(F)cc2F)c1[O-] ZINC001465264828 1061722469 /nfs/dbraw/zinc/72/24/69/1061722469.db2.gz LSCFMNVALKJRAD-INIZCTEOSA-N -1 3 319.351 4.114 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@H]2CC(C)C)cc1[O-] ZINC001465275544 1061724616 /nfs/dbraw/zinc/72/46/16/1061724616.db2.gz PONDANIHQQCTLW-INIZCTEOSA-N -1 3 317.429 4.026 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CSc3ccccc32)c([O-])c1 ZINC001465316761 1061733526 /nfs/dbraw/zinc/73/35/26/1061733526.db2.gz DTWLEJWCGNEJCG-HNNXBMFYSA-N -1 3 313.422 4.092 20 0 DIADHM CC1(C)CCCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001465512259 1061767709 /nfs/dbraw/zinc/76/77/09/1061767709.db2.gz WMVLDYIBGJPNSG-UHFFFAOYSA-N -1 3 303.427 4.259 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C)c(C)c3ncccc23)c([O-])c1C ZINC001465559333 1061777174 /nfs/dbraw/zinc/77/71/74/1061777174.db2.gz FSEVLSARRGCQOC-UHFFFAOYSA-N -1 3 320.392 4.426 20 0 DIADHM C[C@H]1Cc2ccccc2CN1C(=O)c1cc2sccc2c([O-])c1 ZINC001465548933 1061777935 /nfs/dbraw/zinc/77/79/35/1061777935.db2.gz UUSGTMKNJBWBQX-LBPRGKRZSA-N -1 3 323.417 4.194 20 0 DIADHM COc1ccc2cc([O-])c(-c3nnc(-c4ccccc4)o3)cc2c1 ZINC001253060780 1061793217 /nfs/dbraw/zinc/79/32/17/1061793217.db2.gz VFSHBZRIGSBWBJ-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc(CC)cc1[O-] ZINC001465965844 1061850994 /nfs/dbraw/zinc/85/09/94/1061850994.db2.gz UHPNWRUOMUNMDI-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@]2(C)CCCc3ccccc32)c([O-])c1 ZINC001466333191 1061922608 /nfs/dbraw/zinc/92/26/08/1061922608.db2.gz ALJOLPWINZBJGU-NRFANRHFSA-N -1 3 323.436 4.497 20 0 DIADHM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC001466630912 1061975810 /nfs/dbraw/zinc/97/58/10/1061975810.db2.gz DISQWGVDDZCPLA-AOSQPNEPSA-N -1 3 305.393 4.488 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CCC=CCCC1 ZINC001466632154 1061976870 /nfs/dbraw/zinc/97/68/70/1061976870.db2.gz FWQFHLDXSDHQNA-LLVKDONJSA-N -1 3 324.218 4.230 20 0 DIADHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1[O-] ZINC001466669439 1061982199 /nfs/dbraw/zinc/98/21/99/1061982199.db2.gz XQVYNELVTNSPPZ-GOSISDBHSA-N -1 3 309.409 4.322 20 0 DIADHM CCc1ccc(C(=O)N2CCC(c3ccccc3C)CC2)c([O-])c1 ZINC001466757427 1061999726 /nfs/dbraw/zinc/99/97/26/1061999726.db2.gz PPKZPQUWBFPTDE-UHFFFAOYSA-N -1 3 323.436 4.283 20 0 DIADHM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3[O-])C2)cc1 ZINC001466820132 1062010534 /nfs/dbraw/zinc/01/05/34/1062010534.db2.gz WUHRYTHPFJAXKH-GOSISDBHSA-N -1 3 323.436 4.454 20 0 DIADHM CCOc1cccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c1[O-] ZINC001254699747 1062236287 /nfs/dbraw/zinc/23/62/87/1062236287.db2.gz ZXMKQGRJDHLHMI-GJZGRUSLSA-N -1 3 322.364 4.112 20 0 DIADHM CCc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)cc1C ZINC001254800568 1062252634 /nfs/dbraw/zinc/25/26/34/1062252634.db2.gz NIFUMJAXZHWDMB-UHFFFAOYSA-N -1 3 317.454 4.283 20 0 DIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC001255335561 1062409792 /nfs/dbraw/zinc/40/97/92/1062409792.db2.gz LXLKRVAFFSZUKM-UHFFFAOYSA-N -1 3 315.438 4.488 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)c1[O-] ZINC001468839512 1062418913 /nfs/dbraw/zinc/41/89/13/1062418913.db2.gz SLELRJKCKGJWAM-GOSISDBHSA-N -1 3 315.457 4.386 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC001468874414 1062422564 /nfs/dbraw/zinc/42/25/64/1062422564.db2.gz YPTPIWLXOIDMGM-IEBWSBKVSA-N -1 3 323.436 4.363 20 0 DIADHM Cc1cccnc1[C@@H](NCc1ccc([O-])c(F)c1F)C(C)(C)C ZINC001474740890 1062456923 /nfs/dbraw/zinc/45/69/23/1062456923.db2.gz DKWWOKACZUATNU-QGZVFWFLSA-N -1 3 320.383 4.251 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C1CCC1)C1CCCCC1 ZINC001469375279 1062538857 /nfs/dbraw/zinc/53/88/57/1062538857.db2.gz OVYKEJMZLGAKEW-SFHVURJKSA-N -1 3 301.430 4.179 20 0 DIADHM CC(=O)c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1C ZINC001469523089 1062572556 /nfs/dbraw/zinc/57/25/56/1062572556.db2.gz DKPZENPHAIUOSA-UHFFFAOYSA-N -1 3 323.392 4.034 20 0 DIADHM CCCCCc1nnc(-c2cc3cc(OC)ccc3cc2[O-])o1 ZINC001256079813 1062697840 /nfs/dbraw/zinc/69/78/40/1062697840.db2.gz NLNNXONSAQPAPD-UHFFFAOYSA-N -1 3 312.369 4.337 20 0 DIADHM CCCCCCc1nnc(-c2cc3cc(O)ccc3cc2[O-])o1 ZINC001256330765 1062777378 /nfs/dbraw/zinc/77/73/78/1062777378.db2.gz SIRASZFGXCTKRZ-UHFFFAOYSA-N -1 3 312.369 4.424 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1F ZINC001470793427 1062863987 /nfs/dbraw/zinc/86/39/87/1062863987.db2.gz ZDODAZADKNBKPX-UHFFFAOYSA-N -1 3 323.751 4.226 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC001471092615 1062921842 /nfs/dbraw/zinc/92/18/42/1062921842.db2.gz ZCEPCBDAHFMRCL-HNNXBMFYSA-N -1 3 315.800 4.161 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC001471803173 1063024096 /nfs/dbraw/zinc/02/40/96/1063024096.db2.gz KYIPYXKWRLUHCO-PXAZEXFGSA-N -1 3 315.800 4.269 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccccc1 ZINC001471803176 1063024213 /nfs/dbraw/zinc/02/42/13/1063024213.db2.gz KYIPYXKWRLUHCO-YVEFUNNKSA-N -1 3 315.800 4.269 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nnc(CC2CCCCC2)o1 ZINC001257008012 1063075530 /nfs/dbraw/zinc/07/55/30/1063075530.db2.gz GOIARBQMDSZAPV-UHFFFAOYSA-N -1 3 324.380 4.424 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2-c2nccs2)c([O-])c1 ZINC001472417430 1063084567 /nfs/dbraw/zinc/08/45/67/1063084567.db2.gz VZZZQVWSGSAULL-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001472494925 1063089949 /nfs/dbraw/zinc/08/99/49/1063089949.db2.gz KLVYRCWEMFNVHY-LSDHHAIUSA-N -1 3 319.445 4.127 20 0 DIADHM CCCCCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001472526990 1063098390 /nfs/dbraw/zinc/09/83/90/1063098390.db2.gz XJKUIMVPGFMXHS-GFCCVEGCSA-N -1 3 318.421 4.308 20 0 DIADHM CCCCOc1ccc(C(=O)NCCC(C)(C)CC)c([O-])c1 ZINC001472608527 1063106607 /nfs/dbraw/zinc/10/66/07/1063106607.db2.gz HCSJZPIZOSDNHB-UHFFFAOYSA-N -1 3 307.434 4.127 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(Cc3ccc([O-])c(F)c3)o2)cc1 ZINC001257197710 1063135135 /nfs/dbraw/zinc/13/51/35/1063135135.db2.gz IHVGBBLSPBASJG-GJZGRUSLSA-N -1 3 324.355 4.085 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001257322822 1063202489 /nfs/dbraw/zinc/20/24/89/1063202489.db2.gz AXRVPRWKFSPZQY-KGLIPLIRSA-N -1 3 322.364 4.036 20 0 DIADHM CCCCCC(CCCCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001257549906 1063329598 /nfs/dbraw/zinc/32/95/98/1063329598.db2.gz GTATZRXEESMSEA-UHFFFAOYSA-N -1 3 307.415 4.063 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)SCc2cccc3cccnc32)n1 ZINC001473073980 1063387111 /nfs/dbraw/zinc/38/71/11/1063387111.db2.gz FUXLYROZCMJRLT-GFCCVEGCSA-N -1 3 311.410 4.033 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)SCc2cccc3cccnc32)n1 ZINC001473073981 1063388703 /nfs/dbraw/zinc/38/87/03/1063388703.db2.gz FUXLYROZCMJRLT-LBPRGKRZSA-N -1 3 311.410 4.033 20 0 DIADHM CC(C)CCc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC001258357618 1063622428 /nfs/dbraw/zinc/62/24/28/1063622428.db2.gz XAFOEEOBCWNITF-UHFFFAOYSA-N -1 3 300.280 4.050 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258499500 1063675274 /nfs/dbraw/zinc/67/52/74/1063675274.db2.gz OUXYTXXPIKVEAP-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])c(C)c(F)c3)o2)cc1F ZINC001258799646 1063833808 /nfs/dbraw/zinc/83/38/08/1063833808.db2.gz IVAZVHRQOAWTRL-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC001259168255 1063884625 /nfs/dbraw/zinc/88/46/25/1063884625.db2.gz UAFCEEGXWBUELZ-UHFFFAOYSA-N -1 3 323.845 4.320 20 0 DIADHM Cc1ccc(CS(=O)(=O)[N-]c2csc3ccccc23)cc1 ZINC001259259034 1063886879 /nfs/dbraw/zinc/88/68/79/1063886879.db2.gz QZBPFZAFVUEPMQ-UHFFFAOYSA-N -1 3 317.435 4.152 20 0 DIADHM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)C1CCCC1 ZINC001259802834 1063894466 /nfs/dbraw/zinc/89/44/66/1063894466.db2.gz VXEQUXZOLHVEPH-UHFFFAOYSA-N -1 3 323.458 4.124 20 0 DIADHM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(C)c1Oc1ccccc1 ZINC001260741021 1063904221 /nfs/dbraw/zinc/90/42/21/1063904221.db2.gz WMRXOGXNCMUXRX-CQSZACIVSA-N -1 3 319.426 4.328 20 0 DIADHM C[C@@H]1CCCc2ccccc2[C@@H]1NCc1ccc([O-])c(F)c1F ZINC001462054733 1063906143 /nfs/dbraw/zinc/90/61/43/1063906143.db2.gz OQIUBFKXCALPRZ-CWTRNNRKSA-N -1 3 317.379 4.474 20 0 DIADHM C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc([O-])c(F)c1F ZINC001462054737 1063907326 /nfs/dbraw/zinc/90/73/26/1063907326.db2.gz OQIUBFKXCALPRZ-HXPMCKFVSA-N -1 3 317.379 4.474 20 0 DIADHM O=C([N-]c1cc(Cl)cc(Cl)c1F)c1cnc(C2CC2)o1 ZINC001288101191 1064511673 /nfs/dbraw/zinc/51/16/73/1064511673.db2.gz GJAAINGUYQBTLA-UHFFFAOYSA-N -1 3 315.131 4.250 20 0 DIADHM C[C@H]1CC(CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)C[C@H](C)C1 ZINC000652469939 1064686811 /nfs/dbraw/zinc/68/68/11/1064686811.db2.gz IPPDHLCGSAQQPD-SPYBWZPUSA-N -1 3 315.457 4.133 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)c1[O-] ZINC001291957093 1064750754 /nfs/dbraw/zinc/75/07/54/1064750754.db2.gz ZACVYUZAXDFVBG-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM CCCCOc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001291928703 1064751676 /nfs/dbraw/zinc/75/16/76/1064751676.db2.gz CJCJIBWPTKZJCZ-UHFFFAOYSA-N -1 3 313.397 4.440 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c1[O-] ZINC001292214769 1064763512 /nfs/dbraw/zinc/76/35/12/1064763512.db2.gz YUKJOGIUTVTXRB-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM CCCC(C)(C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001292313474 1064767561 /nfs/dbraw/zinc/76/75/61/1064767561.db2.gz AWIRHXKWEQMRPT-UHFFFAOYSA-N -1 3 311.425 4.292 20 0 DIADHM CC(C)CN(CC(C)C)C(=O)c1cc2sccc2c([O-])c1 ZINC001292948625 1064795222 /nfs/dbraw/zinc/79/52/22/1064795222.db2.gz QDVGLAKQYYVFQP-UHFFFAOYSA-N -1 3 305.443 4.361 20 0 DIADHM C[C@@H]1CC(CCN2Cc3ccc(C(=O)[O-])cc3C2)C[C@@H](C)C1 ZINC000659791162 1064802835 /nfs/dbraw/zinc/80/28/35/1064802835.db2.gz UEMRTHDGMBPOQT-KBPBESRZSA-N -1 3 301.430 4.163 20 0 DIADHM Cc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c([O-])c1 ZINC001293359337 1064809959 /nfs/dbraw/zinc/80/99/59/1064809959.db2.gz IMFJNPLYERBCJP-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](C)CCC2CCCCC2)c([O-])c1 ZINC001293397825 1064811276 /nfs/dbraw/zinc/81/12/76/1064811276.db2.gz CWKUCIKZNRVYOZ-AWEZNQCLSA-N -1 3 303.446 4.433 20 0 DIADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001294134911 1064848987 /nfs/dbraw/zinc/84/89/87/1064848987.db2.gz QJBKEQZZASEICU-MJGOQNOKSA-N -1 3 323.417 4.067 20 0 DIADHM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1ccccc1[O-] ZINC001294603238 1064874265 /nfs/dbraw/zinc/87/42/65/1064874265.db2.gz PUDMCVLXJPTURO-UHFFFAOYSA-N -1 3 315.800 4.245 20 0 DIADHM COc1ccc(/C(C)=C/C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001295351017 1064907984 /nfs/dbraw/zinc/90/79/84/1064907984.db2.gz PFOZDACWWCAPDU-PKNBQFBNSA-N -1 3 317.772 4.096 20 0 DIADHM C[C@H]1CCc2c(C(=O)Nc3cc(Cl)ccc3[O-])csc2C1 ZINC001295351702 1064908440 /nfs/dbraw/zinc/90/84/40/1064908440.db2.gz YZKQDMUAYWBFFU-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C(C)C)c1 ZINC001295676169 1064923505 /nfs/dbraw/zinc/92/35/05/1064923505.db2.gz 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/nfs/dbraw/zinc/98/77/32/1064987732.db2.gz VQJMEVNDNYLLQW-UHFFFAOYSA-N -1 3 323.392 4.247 20 0 DIADHM CCc1nc2ccc(NC(=O)c3ccc(C)cc3[O-])cc2s1 ZINC001299885298 1065038375 /nfs/dbraw/zinc/03/83/75/1065038375.db2.gz DFLXQQPRKDNMHU-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc3c(C)nccc23)c([O-])c1C ZINC001303468840 1065117803 /nfs/dbraw/zinc/11/78/03/1065117803.db2.gz SCKRDGGZMSRZBS-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CC[C@H]1c2ccccc2CN1C(=O)c1cc(SC)ccc1[O-] ZINC001304738204 1065142316 /nfs/dbraw/zinc/14/23/16/1065142316.db2.gz MSXVYYBNXRNPOJ-INIZCTEOSA-N -1 3 313.422 4.221 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSc2cccc(Cl)c2)o1 ZINC001307298241 1065333057 /nfs/dbraw/zinc/33/30/57/1065333057.db2.gz CFSDJNARVAUKNP-UHFFFAOYSA-N -1 3 318.785 4.388 20 0 DIADHM [O-]c1ccc(CN2CCc3cc(-c4ccccc4)oc3C2)cc1F ZINC001308577884 1066092503 /nfs/dbraw/zinc/09/25/03/1066092503.db2.gz JZHCRNPHKYJVQE-UHFFFAOYSA-N -1 3 323.367 4.350 20 0 DIADHM Cc1ccccc1OCCCN(C)Cc1cccc([O-])c1Cl 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C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000417560517 334975969 /nfs/dbraw/zinc/97/59/69/334975969.db2.gz KHQVDPSSZMUGSD-AUUYWEPGSA-N -1 3 309.409 4.116 20 0 DIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1coc(CN)c1 ZINC000187693471 200145857 /nfs/dbraw/zinc/14/58/57/200145857.db2.gz LDTKZMALYAUMID-UHFFFAOYSA-N -1 3 324.833 4.145 20 0 DIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cs1 ZINC000417576205 334995291 /nfs/dbraw/zinc/99/52/91/334995291.db2.gz UHKBMOBDVQSIHP-KRWDZBQOSA-N -1 3 317.454 4.486 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CN[C@H](C)[C@@H](C)C(=O)[O-] ZINC000417594763 335001438 /nfs/dbraw/zinc/00/14/38/335001438.db2.gz ASVVDDXZXCKZKY-GHMZBOCLSA-N -1 3 315.866 4.039 20 0 DIADHM CC(C)c1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417617464 335009645 /nfs/dbraw/zinc/00/96/45/335009645.db2.gz IIHYJTLPLKASPK-RBUKOAKNSA-N -1 3 309.409 4.213 20 0 DIADHM Cc1oc2ccccc2c1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417617723 335010059 /nfs/dbraw/zinc/01/00/59/335010059.db2.gz CJSKJTHODPOYJX-WMZOPIPTSA-N -1 3 321.376 4.144 20 0 DIADHM Cc1cc(C)cc(-c2ccc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)cc2)c1 ZINC000417627370 335016648 /nfs/dbraw/zinc/01/66/48/335016648.db2.gz UYNSWVCLGLLFCA-UYAOXDASSA-N -1 3 321.420 4.089 20 0 DIADHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000417627118 335016286 /nfs/dbraw/zinc/01/62/86/335016286.db2.gz NUIZNFHLMNGHDW-WOJBJXKFSA-N -1 3 321.420 4.357 20 0 DIADHM C[C@H](CC(C)(C)NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417631392 335019932 /nfs/dbraw/zinc/01/99/32/335019932.db2.gz FAXQEYDLLNNRQZ-SNVBAGLBSA-N -1 3 309.793 4.065 20 0 DIADHM C[C@H](CC(C)(C)NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417637495 335021935 /nfs/dbraw/zinc/02/19/35/335021935.db2.gz NGJOKVVOFQZJOK-SSDOTTSWSA-N -1 3 310.246 4.034 20 0 DIADHM Cc1cc(F)c(CN[C@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000417639940 335025571 /nfs/dbraw/zinc/02/55/71/335025571.db2.gz VGFLPZCBPSPTKP-CQSZACIVSA-N -1 3 315.816 4.157 20 0 DIADHM CCCc1csc(CNCCC2(CC(=O)[O-])CCCCC2)n1 ZINC000417651817 335028187 /nfs/dbraw/zinc/02/81/87/335028187.db2.gz PYXXRJWKZZDHFS-UHFFFAOYSA-N -1 3 324.490 4.001 20 0 DIADHM COC(=O)c1ccc(-c2cc([O-])cc(C(F)(F)F)c2)cc1F ZINC000065344359 184326111 /nfs/dbraw/zinc/32/61/11/184326111.db2.gz YOLIQTBECHJBIL-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM Cc1nc(-c2ccccc2)sc1NC([O-])=NOC1CCCC1 ZINC000273141516 130091608 /nfs/dbraw/zinc/09/16/08/130091608.db2.gz XZYZVFPOHHVLNT-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM Cc1nc(-c2ccccc2)sc1NC(=O)[N-]OC1CCCC1 ZINC000273141516 130091609 /nfs/dbraw/zinc/09/16/09/130091609.db2.gz XZYZVFPOHHVLNT-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM O=c1nc([C@@H]2CCCCS2)[n-]c2sc3c(c21)CCCS3 ZINC000273325497 130106477 /nfs/dbraw/zinc/10/64/77/130106477.db2.gz HJMJASPMGADPTN-VIFPVBQESA-N -1 3 324.496 4.393 20 0 DIADHM CCC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000273807188 130171170 /nfs/dbraw/zinc/17/11/70/130171170.db2.gz AHEDOLTXZSASBF-UHFFFAOYSA-N -1 3 312.413 4.031 20 0 DIADHM CCOc1cc(CN[C@H](C)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000298184001 132049507 /nfs/dbraw/zinc/04/95/07/132049507.db2.gz VYPNTLBREKDHOV-LLVKDONJSA-N -1 3 321.804 4.001 20 0 DIADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000563867317 335077224 /nfs/dbraw/zinc/07/72/24/335077224.db2.gz FTSSINREUQPKQG-SFHVURJKSA-N -1 3 323.436 4.104 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2cccc(F)c2)no1 ZINC000391721671 335083266 /nfs/dbraw/zinc/08/32/66/335083266.db2.gz JJYZEWHUYKOPPB-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1SCCc2ccccc21 ZINC000175614251 332898969 /nfs/dbraw/zinc/89/89/69/332898969.db2.gz CHKVULGZWXTKGD-OAHLLOKOSA-N -1 3 319.813 4.015 20 0 DIADHM CCc1c2ccccc2oc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000583975387 331507705 /nfs/dbraw/zinc/50/77/05/331507705.db2.gz UBCQDRLLHQYALM-UHFFFAOYSA-N -1 3 310.353 4.421 20 0 DIADHM Cc1ccc2[nH]c(C(=O)Nc3ccc(Cl)cc3[O-])cc2c1 ZINC000533617685 331607843 /nfs/dbraw/zinc/60/78/43/331607843.db2.gz VQQKHUICPJROGD-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1cccc([O-])c1NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000255563416 331771997 /nfs/dbraw/zinc/77/19/97/331771997.db2.gz HFVHPJZTVQPPDR-HJWRWDBZSA-N -1 3 316.426 4.107 20 0 DIADHM Cc1cccc2c(CC(=O)Nc3c([O-])cccc3Cl)c[nH]c21 ZINC000557184524 331775198 /nfs/dbraw/zinc/77/51/98/331775198.db2.gz ZPOBHSXWOFLGDL-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM O=C(/C=C\SCc1ccco1)Nc1cc(Cl)ccc1[O-] ZINC000255618160 331779017 /nfs/dbraw/zinc/77/90/17/331779017.db2.gz VWLGOXTUOMGTKF-ALCCZGGFSA-N -1 3 309.774 4.024 20 0 DIADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1c([O-])cccc1Cl ZINC000558473148 331910638 /nfs/dbraw/zinc/91/06/38/331910638.db2.gz WKAFCZNXQGWSOD-GFCCVEGCSA-N -1 3 315.800 4.179 20 0 DIADHM O=C(Cc1cccc(Cl)c1F)Nc1ccc(Cl)cc1[O-] ZINC000520904308 331973857 /nfs/dbraw/zinc/97/38/57/331973857.db2.gz GSTWSKIMTGTPTC-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM C[C@@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000084632343 332004640 /nfs/dbraw/zinc/00/46/40/332004640.db2.gz WFOFSYVXDNNCEO-CYBMUJFWSA-N -1 3 323.367 4.104 20 0 DIADHM Cc1ccc(NC(=O)c2cc(Cl)c3ccccc3n2)c([O-])c1 ZINC000559260638 332008284 /nfs/dbraw/zinc/00/82/84/332008284.db2.gz BXQIYHWLUVIUDS-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000518414328 332029278 /nfs/dbraw/zinc/02/92/78/332029278.db2.gz HEULAZXWMRCYSI-NXEZZACHSA-N -1 3 323.726 4.066 20 0 DIADHM CC(C)(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426797697 332154704 /nfs/dbraw/zinc/15/47/04/332154704.db2.gz CCVYOARFINUWCM-KRWDZBQOSA-N -1 3 315.388 4.039 20 0 DIADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1C ZINC000426803124 332155428 /nfs/dbraw/zinc/15/54/28/332155428.db2.gz KNYAFLMCGLXKEI-KRWDZBQOSA-N -1 3 317.816 4.181 20 0 DIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000426805392 332155455 /nfs/dbraw/zinc/15/54/55/332155455.db2.gz BATOSMIWIAAIEK-IBGZPJMESA-N -1 3 311.425 4.424 20 0 DIADHM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426803523 332155462 /nfs/dbraw/zinc/15/54/62/332155462.db2.gz NBAMYEACROUCJI-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM CC(C)CC[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000569611440 332205068 /nfs/dbraw/zinc/20/50/68/332205068.db2.gz GGWGXOPJQOGZFJ-HNNXBMFYSA-N -1 3 309.837 4.439 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000573618732 332247962 /nfs/dbraw/zinc/24/79/62/332247962.db2.gz JNYKKRNMYGSXNK-FTGAXOIBSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccc(NC(=O)CCCOc2ccc(C)c(C)c2)c([O-])c1 ZINC000531074399 332248170 /nfs/dbraw/zinc/24/81/70/332248170.db2.gz DZGVQFYPKMYQOU-UHFFFAOYSA-N -1 3 313.397 4.115 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC000111210620 332302126 /nfs/dbraw/zinc/30/21/26/332302126.db2.gz NAYGKGSZTJZVGZ-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1=O ZINC000560086675 332310025 /nfs/dbraw/zinc/31/00/25/332310025.db2.gz RZOHGCYQZDYOBN-NEPJUHHUSA-N -1 3 322.364 4.068 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(C)cc2Cl)c1[O-] ZINC000560550016 332358231 /nfs/dbraw/zinc/35/82/31/332358231.db2.gz GVRSRWYUGDJECF-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566367381 332382122 /nfs/dbraw/zinc/38/21/22/332382122.db2.gz OVLRDXFTUJFYCQ-IQMDTDKHSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000561133573 332414871 /nfs/dbraw/zinc/41/48/71/332414871.db2.gz DHAGRYZTEANRBA-QRVBRYPASA-N -1 3 321.420 4.109 20 0 DIADHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C)cc1[O-] ZINC000531136173 332643663 /nfs/dbraw/zinc/64/36/63/332643663.db2.gz DLQMIGRARKIASP-HNNXBMFYSA-N -1 3 319.788 4.150 20 0 DIADHM CCOc1cc(-c2noc(C3(C)CCCCC3)n2)ccc1[O-] ZINC000570079786 332709066 /nfs/dbraw/zinc/70/90/66/332709066.db2.gz QKRJFWCGKPDUGU-UHFFFAOYSA-N -1 3 302.374 4.063 20 0 DIADHM Cc1ccc(-c2c[nH]cc2C(=O)Nc2cccc([O-])c2F)s1 ZINC000187398082 332967774 /nfs/dbraw/zinc/96/77/74/332967774.db2.gz CHMFUEDCACSKHI-UHFFFAOYSA-N -1 3 316.357 4.149 20 0 DIADHM CC(C)c1ccc(CCNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000580179581 332987007 /nfs/dbraw/zinc/98/70/07/332987007.db2.gz VTDVOIVTEKCVMA-UHFFFAOYSA-N -1 3 317.816 4.142 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1C ZINC000531155538 333035355 /nfs/dbraw/zinc/03/53/55/333035355.db2.gz ZWSYVAYZGVUQIY-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460450397 333089256 /nfs/dbraw/zinc/08/92/56/333089256.db2.gz RVVANIZWSCHWHF-UHFFFAOYSA-N -1 3 321.417 4.232 20 0 DIADHM Cc1ccc([O-])c(CN[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000112716268 333101680 /nfs/dbraw/zinc/10/16/80/333101680.db2.gz HTPDACXKQXJWLU-SNVBAGLBSA-N -1 3 311.212 4.253 20 0 DIADHM C[C@@]1(c2ccccc2)CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000516656511 333136573 /nfs/dbraw/zinc/13/65/73/333136573.db2.gz GZDQQYRYOIJFMV-GOSISDBHSA-N -1 3 315.438 4.000 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000183022422 333161004 /nfs/dbraw/zinc/16/10/04/333161004.db2.gz BKGWMRJCRCYMOR-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1ccc(Cl)cc1 ZINC000522684442 333165174 /nfs/dbraw/zinc/16/51/74/333165174.db2.gz DYJXFXLRVPEQOX-JTQLQIEISA-N -1 3 316.817 4.373 20 0 DIADHM CCCOc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000182137408 333176410 /nfs/dbraw/zinc/17/64/10/333176410.db2.gz GEQKSBTYFLVHDQ-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM Cc1cc([O-])c2nc(/C=C/c3cn(C)nc3C(F)F)ccc2c1 ZINC000460869235 333179319 /nfs/dbraw/zinc/17/93/19/333179319.db2.gz NMMGRNWUIYHWAE-GQCTYLIASA-N -1 3 315.323 4.090 20 0 DIADHM CC(C)[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000388026061 333195479 /nfs/dbraw/zinc/19/54/79/333195479.db2.gz CGVXJWXVZZBSQQ-KRWDZBQOSA-N -1 3 301.361 4.011 20 0 DIADHM CC(C)Oc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000184136057 333342108 /nfs/dbraw/zinc/34/21/08/333342108.db2.gz WCPNKJKKRDKEGY-ZDUSSCGKSA-N -1 3 303.377 4.169 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2cc(Cl)ccc2o1 ZINC000531372410 333346845 /nfs/dbraw/zinc/34/68/45/333346845.db2.gz GBTZYEQWWKWLRX-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM CC(C)Sc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000531373271 333347074 /nfs/dbraw/zinc/34/70/74/333347074.db2.gz KLRUXMJQJHKQCG-UHFFFAOYSA-N -1 3 305.374 4.284 20 0 DIADHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2ccsc2Cl)n1 ZINC000186941687 333382208 /nfs/dbraw/zinc/38/22/08/333382208.db2.gz UXLXXIDSTBKCFQ-UHFFFAOYSA-N -1 3 316.213 4.221 20 0 DIADHM O=C([O-])c1ccccc1CCNCc1c(Cl)cccc1Cl ZINC000228492688 333387225 /nfs/dbraw/zinc/38/72/25/333387225.db2.gz UWQOZKBIIIJBOT-UHFFFAOYSA-N -1 3 324.207 4.024 20 0 DIADHM CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1[O-] ZINC000488564366 333411935 /nfs/dbraw/zinc/41/19/35/333411935.db2.gz QQUFTCRQNGIEOD-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM C[C@H](CCCNCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000426642780 333511255 /nfs/dbraw/zinc/51/12/55/333511255.db2.gz LDFCWJXYIOQWJC-GFCCVEGCSA-N -1 3 321.804 4.191 20 0 DIADHM CCCc1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)no1 ZINC000410630983 333525110 /nfs/dbraw/zinc/52/51/10/333525110.db2.gz KHGSHJYSXDJDIC-UHFFFAOYSA-N -1 3 314.719 4.119 20 0 DIADHM Cc1c([N-]C(=O)[C@@H](C)OCCC(C)C)onc1C1CCCCC1 ZINC000410876739 333602037 /nfs/dbraw/zinc/60/20/37/333602037.db2.gz MGKMTZSNXIUGGU-CQSZACIVSA-N -1 3 322.449 4.420 20 0 DIADHM C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)c2c([O-])cccc21 ZINC000413712972 333868488 /nfs/dbraw/zinc/86/84/88/333868488.db2.gz MLDVFVLDSGGFOQ-XKQJLSEDSA-N -1 3 307.393 4.036 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000413890786 333878238 /nfs/dbraw/zinc/87/82/38/333878238.db2.gz BOWJLMBSMOFKQE-UHFFFAOYSA-N -1 3 304.415 4.255 20 0 DIADHM CCC(CC)n1nccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000436811387 334001160 /nfs/dbraw/zinc/00/11/60/334001160.db2.gz JQWKLDJZSRAZRP-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM CC[C@@]1(C)CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571648706 334017039 /nfs/dbraw/zinc/01/70/39/334017039.db2.gz CCTXZNSXWOCCTF-ZFWWWQNUSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000272500391 334035585 /nfs/dbraw/zinc/03/55/85/334035585.db2.gz NSWJLKQQTLVTCY-QWRGUYRKSA-N -1 3 301.308 4.008 20 0 DIADHM C[C@H]1C[C@]1(NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000414637347 334049663 /nfs/dbraw/zinc/04/96/63/334049663.db2.gz LWIPJKBIXQHDQF-KPZWWZAWSA-N -1 3 315.800 4.063 20 0 DIADHM CC(C)C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000414638251 334049768 /nfs/dbraw/zinc/04/97/68/334049768.db2.gz NRVAGGFACCQUTD-HNNXBMFYSA-N -1 3 303.427 4.323 20 0 DIADHM Cc1oc(C2CC2)nc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000343596234 335180579 /nfs/dbraw/zinc/18/05/79/335180579.db2.gz CMECSCDGXBQZKZ-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM CSC[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293351796 334197452 /nfs/dbraw/zinc/19/74/52/334197452.db2.gz FUVOEAQBMSINJV-JTQLQIEISA-N -1 3 300.383 4.062 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1F ZINC000303001256 334299295 /nfs/dbraw/zinc/29/92/95/334299295.db2.gz YHZJGFXDDQTUFN-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CCn1c(C(=O)Nc2cc(Cl)ccc2[O-])cc2ccccc21 ZINC000111210355 334306227 /nfs/dbraw/zinc/30/62/27/334306227.db2.gz MIAJSTLHAVRXPC-UHFFFAOYSA-N -1 3 314.772 4.273 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc2c1CCCC2 ZINC000111210102 334306325 /nfs/dbraw/zinc/30/63/25/334306325.db2.gz UMGCBAYYRHWDIH-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000534704013 334328614 /nfs/dbraw/zinc/32/86/14/334328614.db2.gz FKMSHURIKUJUDN-VHSXEESVSA-N -1 3 321.726 4.353 20 0 DIADHM CCC(CC)n1ncc(C(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC000535307215 334713306 /nfs/dbraw/zinc/71/33/06/334713306.db2.gz JRQVFJJOUYJFMM-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cc(F)c(F)c(F)c2)c1[O-] ZINC000535420484 334731017 /nfs/dbraw/zinc/73/10/17/334731017.db2.gz QDXWMBUVIXFBIO-UHFFFAOYSA-N -1 3 315.678 4.024 20 0 DIADHM CCSc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000343646511 335184707 /nfs/dbraw/zinc/18/47/07/335184707.db2.gz IDCSCVZVZOMIDK-UHFFFAOYSA-N -1 3 321.829 4.088 20 0 DIADHM CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000344125352 335219534 /nfs/dbraw/zinc/21/95/34/335219534.db2.gz KUDPUJJKDHRMBP-INIZCTEOSA-N -1 3 303.789 4.317 20 0 DIADHM Cc1cc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)ccc1[O-] ZINC000344584358 335260233 /nfs/dbraw/zinc/26/02/33/335260233.db2.gz WCZGEEBTMMLPMP-LBPRGKRZSA-N -1 3 321.829 4.223 20 0 DIADHM Cc1ccnc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)n1 ZINC000348208693 335566338 /nfs/dbraw/zinc/56/63/38/335566338.db2.gz GKPROMCPYHMNDM-UHFFFAOYSA-N -1 3 321.833 4.191 20 0 DIADHM Cc1c2ccccc2oc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000445500247 338497139 /nfs/dbraw/zinc/49/71/39/338497139.db2.gz CYMCAKZQYNWNOK-UHFFFAOYSA-N -1 3 306.321 4.472 20 0 DIADHM O=C([N-]c1cccc(F)c1Cl)c1c(F)c(F)cc(F)c1F ZINC000583589190 335752437 /nfs/dbraw/zinc/75/24/37/335752437.db2.gz HNGDNUCNSLGAIF-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc(C)ccc2C2CC2)c1[O-] ZINC000519770400 335895516 /nfs/dbraw/zinc/89/55/16/335895516.db2.gz JAHXMLBQDZMSJA-UHFFFAOYSA-N -1 3 309.365 4.033 20 0 DIADHM COc1ccccc1C(C)(C)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000445693536 338505908 /nfs/dbraw/zinc/50/59/08/338505908.db2.gz ZYRWQPCHKPMMJQ-UHFFFAOYSA-N -1 3 324.380 4.085 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1 ZINC000331834612 336150275 /nfs/dbraw/zinc/15/02/75/336150275.db2.gz BVEHKIVRXZJHNL-KSSFIOAISA-N -1 3 324.424 4.134 20 0 DIADHM CC(C)c1cc(C(=O)N2CCc3ccncc32)c([O-])c(C(C)C)c1 ZINC000332019870 336156142 /nfs/dbraw/zinc/15/61/42/336156142.db2.gz QQAMITDCMVQOTP-UHFFFAOYSA-N -1 3 324.424 4.237 20 0 DIADHM CCCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000332276669 336166088 /nfs/dbraw/zinc/16/60/88/336166088.db2.gz AVKPRFFQCJKMDO-QGZVFWFLSA-N -1 3 324.424 4.025 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1ccc(F)cc1 ZINC000352127332 336195856 /nfs/dbraw/zinc/19/58/56/336195856.db2.gz MEEJJGQWRKCWTP-INIZCTEOSA-N -1 3 319.763 4.162 20 0 DIADHM Cc1ccc([C@@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352610818 336226808 /nfs/dbraw/zinc/22/68/08/336226808.db2.gz YBCZWSHQTASRSY-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000532644886 336265448 /nfs/dbraw/zinc/26/54/48/336265448.db2.gz RPUSBRLIPDRZNY-LBPRGKRZSA-N -1 3 319.401 4.039 20 0 DIADHM C[C@H](CSCc1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000532644882 336265465 /nfs/dbraw/zinc/26/54/65/336265465.db2.gz RPUSBRLIPDRZNY-GFCCVEGCSA-N -1 3 319.401 4.039 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000192844571 336266465 /nfs/dbraw/zinc/26/64/65/336266465.db2.gz ILGTWUISLDFTKA-CQSZACIVSA-N -1 3 321.376 4.260 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(OCC2CC2)cc1 ZINC000532838225 336272666 /nfs/dbraw/zinc/27/26/66/336272666.db2.gz VVFLGUHWERRLJE-UHFFFAOYSA-N -1 3 317.772 4.087 20 0 DIADHM Cc1ccc(C2CCN(Cc3cccc([O-])c3Cl)CC2)cn1 ZINC000352853923 336280384 /nfs/dbraw/zinc/28/03/84/336280384.db2.gz PNLBRFRZRMRRPN-UHFFFAOYSA-N -1 3 316.832 4.129 20 0 DIADHM Cc1ccc(-c2noc([N-]Cc3cc4ccccc4[nH]3)n2)cc1 ZINC000302020693 336343601 /nfs/dbraw/zinc/34/36/01/336343601.db2.gz DQXDZNSZXWEOLO-UHFFFAOYSA-N -1 3 304.353 4.138 20 0 DIADHM CC[C@H]([N-]c1nc(-c2ccc(C)cc2)no1)c1c(C)noc1C ZINC000302030774 336344130 /nfs/dbraw/zinc/34/41/30/336344130.db2.gz IJKACFMXGQIQAR-AWEZNQCLSA-N -1 3 312.373 4.213 20 0 DIADHM CC(C)c1ccc(CSCC(=O)Nc2ccccc2[O-])cc1 ZINC000514109912 336363922 /nfs/dbraw/zinc/36/39/22/336363922.db2.gz WTGUGMCTNIUHNY-UHFFFAOYSA-N -1 3 315.438 4.388 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000514609175 336386236 /nfs/dbraw/zinc/38/62/36/336386236.db2.gz IGVUJFUQXMZPAD-RBZYPMLTSA-N -1 3 316.228 4.097 20 0 DIADHM CC(C)(C)c1cnc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000514620011 336386540 /nfs/dbraw/zinc/38/65/40/336386540.db2.gz SKNFOPYICRGRBQ-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc(Cl)c1[O-] ZINC000514649460 336390410 /nfs/dbraw/zinc/39/04/10/336390410.db2.gz CHZGAGIXICICKB-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(Cl)c1[O-] ZINC000514649460 336390411 /nfs/dbraw/zinc/39/04/11/336390411.db2.gz CHZGAGIXICICKB-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM O=C([N-]c1nc2ccsc2s1)c1c(F)cc(F)cc1F ZINC000356110723 336536150 /nfs/dbraw/zinc/53/61/50/336536150.db2.gz SVIHCETWZUELNM-UHFFFAOYSA-N -1 3 314.313 4.027 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000357262662 336578526 /nfs/dbraw/zinc/57/85/26/336578526.db2.gz SNTNYYMLKHPYKV-INIZCTEOSA-N -1 3 301.773 4.023 20 0 DIADHM Cc1csc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)c1Cl ZINC000357920832 336603430 /nfs/dbraw/zinc/60/34/30/336603430.db2.gz DNFATYSISRAFSM-UHFFFAOYSA-N -1 3 321.789 4.115 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccncc1Cl ZINC000362183182 336787014 /nfs/dbraw/zinc/78/70/14/336787014.db2.gz OQQVDTCCUPKQGH-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM COC(=O)c1cnc(S[C@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000193543829 337077948 /nfs/dbraw/zinc/07/79/48/337077948.db2.gz FJGZKTGFLXKTMR-LLVKDONJSA-N -1 3 312.394 4.203 20 0 DIADHM CCC[C@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000582491140 337098378 /nfs/dbraw/zinc/09/83/78/337098378.db2.gz UVHJPLVUKMVDGR-QGZVFWFLSA-N -1 3 309.837 4.440 20 0 DIADHM O=C([O-])c1cccc(CN2CC[C@H](c3ccccc3)C2)c1Cl ZINC000394473799 337114325 /nfs/dbraw/zinc/11/43/25/337114325.db2.gz OCYZVGOQMIYKIT-AWEZNQCLSA-N -1 3 315.800 4.028 20 0 DIADHM CC(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000582637135 337116693 /nfs/dbraw/zinc/11/66/93/337116693.db2.gz XYOHGRBXZGVFIN-MRXNPFEDSA-N -1 3 303.789 4.173 20 0 DIADHM C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582671686 337119078 /nfs/dbraw/zinc/11/90/78/337119078.db2.gz SXDQMPFFDMWOJQ-GPCCPHFNSA-N -1 3 316.228 4.097 20 0 DIADHM CC[C@@H](c1ccccc1OC)N(C)Cc1cc([O-])cc(F)c1 ZINC000582693796 337123343 /nfs/dbraw/zinc/12/33/43/337123343.db2.gz YCHZSUYUHLMJTK-KRWDZBQOSA-N -1 3 303.377 4.123 20 0 DIADHM O=[S@@](Cc1cc(Cl)ccc1Cl)c1cccc([O-])c1 ZINC000184072756 337195866 /nfs/dbraw/zinc/19/58/66/337195866.db2.gz QGWRGMMJFHMARQ-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM CSCc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000185066515 337202763 /nfs/dbraw/zinc/20/27/63/337202763.db2.gz OOZJLVKQAZMHMK-UHFFFAOYSA-N -1 3 321.829 4.090 20 0 DIADHM Cc1oc(C(=O)[O-])cc1CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000583089414 337239185 /nfs/dbraw/zinc/23/91/85/337239185.db2.gz FCGUPRVLEOZDPY-UHFFFAOYSA-N -1 3 315.413 4.004 20 0 DIADHM Cc1cccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccn2)c1 ZINC000185614582 337249679 /nfs/dbraw/zinc/24/96/79/337249679.db2.gz HILHSIRIKHYDCB-HXUWFJFHSA-N -1 3 322.383 4.114 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000188714706 337254441 /nfs/dbraw/zinc/25/44/41/337254441.db2.gz YKEQVVJGRNVWMJ-UHFFFAOYSA-N -1 3 315.438 4.036 20 0 DIADHM CCCC[C@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000583781337 337332588 /nfs/dbraw/zinc/33/25/88/337332588.db2.gz CBQAZOFKBASHKD-LBPRGKRZSA-N -1 3 313.401 4.092 20 0 DIADHM CCc1noc(C)c1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000049140988 337437573 /nfs/dbraw/zinc/43/75/73/337437573.db2.gz PZMCTDPHCMTFGU-UHFFFAOYSA-N -1 3 310.806 4.173 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1sc(C)nc1C ZINC000049319083 337438233 /nfs/dbraw/zinc/43/82/33/337438233.db2.gz VNJLZRWQXOHPQW-UHFFFAOYSA-N -1 3 312.847 4.388 20 0 DIADHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1ccco1 ZINC000078189375 337592293 /nfs/dbraw/zinc/59/22/93/337592293.db2.gz YJMMIZXLALLSGC-UHFFFAOYSA-N -1 3 301.289 4.028 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1 ZINC000572206092 337596865 /nfs/dbraw/zinc/59/68/65/337596865.db2.gz FJEFFBRBWGLKRX-NVXWUHKLSA-N -1 3 323.436 4.281 20 0 DIADHM Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C(=O)[O-])cc2)c1C ZINC000263448088 337629371 /nfs/dbraw/zinc/62/93/71/337629371.db2.gz YOBPRWDGBABXRO-UHFFFAOYSA-N -1 3 322.408 4.081 20 0 DIADHM Cc1ccc(NC(=O)C2(c3c(F)cccc3F)CCC2)c([O-])c1 ZINC000421739014 337638769 /nfs/dbraw/zinc/63/87/69/337638769.db2.gz YELOPRDTNWOELW-UHFFFAOYSA-N -1 3 317.335 4.039 20 0 DIADHM CCOc1cc(-c2noc(/C=C3/CC[C@H](C)C3)n2)ccc1[O-] ZINC000445427404 337727704 /nfs/dbraw/zinc/72/77/04/337727704.db2.gz OXJLSRGPDIOVCC-AWPPVZKDSA-N -1 3 300.358 4.044 20 0 DIADHM CCOc1cc(-c2noc([C@@H](C)c3cccc(C)c3)n2)ccc1[O-] ZINC000445428729 337728663 /nfs/dbraw/zinc/72/86/63/337728663.db2.gz WWJIJTBEZQLWER-ZDUSSCGKSA-N -1 3 324.380 4.301 20 0 DIADHM Cc1ccc(-c2nc(-c3c[nH]c4ccccc43)no2)c([O-])c1C ZINC000445441889 337833911 /nfs/dbraw/zinc/83/39/11/337833911.db2.gz MSOPQVYFUPQPFZ-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)Cc2c[nH]c3ccccc23)c1[O-] ZINC000116979056 337845448 /nfs/dbraw/zinc/84/54/48/337845448.db2.gz BFQVBVIIWJODCW-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM CSCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000056218523 337850452 /nfs/dbraw/zinc/85/04/52/337850452.db2.gz HYVRJQBQWRDVJG-UHFFFAOYSA-N -1 3 322.842 4.168 20 0 DIADHM Cc1cc(C)c(Br)c(C(=O)Nc2ccccc2[O-])c1 ZINC000122903526 337927787 /nfs/dbraw/zinc/92/77/87/337927787.db2.gz MXKIJTYGWMZXGA-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000537645114 337952614 /nfs/dbraw/zinc/95/26/14/337952614.db2.gz BUPONMPXPHKRIY-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM CCCC[C@@H](CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515078469 337978282 /nfs/dbraw/zinc/97/82/82/337978282.db2.gz SCQDCDSGSBUVEG-SNVBAGLBSA-N -1 3 314.223 4.310 20 0 DIADHM CCCC[C@H](CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC000515078468 337978326 /nfs/dbraw/zinc/97/83/26/337978326.db2.gz SCQDCDSGSBUVEG-JTQLQIEISA-N -1 3 314.223 4.310 20 0 DIADHM Cc1cccc([C@H](C)NCc2cccc([O-])c2Br)c1 ZINC000315498542 337988191 /nfs/dbraw/zinc/98/81/91/337988191.db2.gz XWFPDQPZABBFNZ-LBPRGKRZSA-N -1 3 320.230 4.314 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2occc2-c2ccccc2)c1[O-] ZINC000516200381 338007267 /nfs/dbraw/zinc/00/72/67/338007267.db2.gz APAIFKLEHGMFHV-UHFFFAOYSA-N -1 3 321.332 4.107 20 0 DIADHM C[C@@H](CCCNCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426649138 338037063 /nfs/dbraw/zinc/03/70/63/338037063.db2.gz VYKBOZTTWSEBFD-AWEZNQCLSA-N -1 3 315.388 4.083 20 0 DIADHM CCCc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426683189 338037934 /nfs/dbraw/zinc/03/79/34/338037934.db2.gz PIYJDMYLMPQQPR-INIZCTEOSA-N -1 3 303.427 4.006 20 0 DIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1Cl ZINC000426700463 338038463 /nfs/dbraw/zinc/03/84/63/338038463.db2.gz RCQBKAAUGDENLC-CQSZACIVSA-N -1 3 309.818 4.016 20 0 DIADHM CC(C)(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426699963 338038556 /nfs/dbraw/zinc/03/85/56/338038556.db2.gz NHZXRGAMQDGOTR-ZDUSSCGKSA-N -1 3 323.483 4.413 20 0 DIADHM Cc1ccc([C@H](NCc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426710344 338038724 /nfs/dbraw/zinc/03/87/24/338038724.db2.gz VUNSSUXFMDVXGL-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426736003 338039940 /nfs/dbraw/zinc/03/99/40/338039940.db2.gz HJMMPCWWVWYGDH-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM O=C([O-])[C@H](NCc1coc2ccccc12)c1cccc(Cl)c1 ZINC000426738814 338040071 /nfs/dbraw/zinc/04/00/71/338040071.db2.gz ZCHNAPVZXLDJQW-MRXNPFEDSA-N -1 3 315.756 4.002 20 0 DIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000426753927 338040812 /nfs/dbraw/zinc/04/08/12/338040812.db2.gz MCESOKWGIXQEOI-MGPUTAFESA-N -1 3 319.404 4.391 20 0 DIADHM O=C([O-])[C@@H](NCC1CCCCC1)c1c(Cl)cccc1Cl ZINC000426757363 338041053 /nfs/dbraw/zinc/04/10/53/338041053.db2.gz CPQIWKMUNPEOCU-AWEZNQCLSA-N -1 3 316.228 4.289 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)Cc2ccsc2)c1 ZINC000428849176 338062207 /nfs/dbraw/zinc/06/22/07/338062207.db2.gz KJLBXTGMHBYGRB-ZDUSSCGKSA-N -1 3 317.454 4.109 20 0 DIADHM CCn1c2ccccc2nc1-c1cc([O-])ccc1Br ZINC000431192453 338125476 /nfs/dbraw/zinc/12/54/76/338125476.db2.gz MQEYFFXTJVIUMG-UHFFFAOYSA-N -1 3 317.186 4.191 20 0 DIADHM CC[C@H]1c2ccsc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000431780745 338138643 /nfs/dbraw/zinc/13/86/43/338138643.db2.gz GXSZZOXYTLNWJC-AWEZNQCLSA-N -1 3 321.829 4.257 20 0 DIADHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000431799983 338139061 /nfs/dbraw/zinc/13/90/61/338139061.db2.gz VMHMOWIZRAKTJJ-SNVBAGLBSA-N -1 3 307.752 4.018 20 0 DIADHM Cc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1F ZINC000432710147 338163722 /nfs/dbraw/zinc/16/37/22/338163722.db2.gz NZDDTNKATFTKFJ-GHRIWEEISA-N -1 3 320.367 4.001 20 0 DIADHM O=C(NC1(c2ccccc2)CCCC1)c1cc([O-])ccc1Cl ZINC000433345635 338193590 /nfs/dbraw/zinc/19/35/90/338193590.db2.gz ZFLXMYABSMSWFA-UHFFFAOYSA-N -1 3 315.800 4.245 20 0 DIADHM Cc1ccc(NC(=O)Cc2cccc(Cl)c2Cl)c([O-])c1 ZINC000433531696 338196514 /nfs/dbraw/zinc/19/65/14/338196514.db2.gz BCZAQEAUXZNSNO-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM CCCCN(C(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1 ZINC000434338509 338214774 /nfs/dbraw/zinc/21/47/74/338214774.db2.gz NDLYMRFKMZSPCD-UHFFFAOYSA-N -1 3 309.369 4.117 20 0 DIADHM CCCCN(C(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000434338509 338214775 /nfs/dbraw/zinc/21/47/75/338214775.db2.gz NDLYMRFKMZSPCD-UHFFFAOYSA-N -1 3 309.369 4.117 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C)c(F)c2)CC)n1 ZINC000435341069 338237566 /nfs/dbraw/zinc/23/75/66/338237566.db2.gz RLVXOMAMWUNZOH-ZROIWOOFSA-N -1 3 300.377 4.121 20 0 DIADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000435761464 338248182 /nfs/dbraw/zinc/24/81/82/338248182.db2.gz MXOYICVDOAPBTQ-HNHYXYPQSA-N -1 3 301.773 4.034 20 0 DIADHM C[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[C@H]1c1ccccc1 ZINC000435823844 338250513 /nfs/dbraw/zinc/25/05/13/338250513.db2.gz FSIYPNJZARERMR-GTYSZEQSSA-N -1 3 321.420 4.282 20 0 DIADHM C[C@H](Oc1ccccc1)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435948432 338253926 /nfs/dbraw/zinc/25/39/26/338253926.db2.gz DSAIOUDFQGLQDU-NHAQELONSA-N -1 3 308.337 4.086 20 0 DIADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)ccc1[O-] ZINC000435959607 338254381 /nfs/dbraw/zinc/25/43/81/338254381.db2.gz NZGAVJDSVKPCDC-RBUKOAKNSA-N -1 3 317.388 4.140 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@@H](c2cccnc2)C(C)C)c1[O-] ZINC000436148683 338259628 /nfs/dbraw/zinc/25/96/28/338259628.db2.gz GHAQZUDXIWFYCF-OAHLLOKOSA-N -1 3 318.804 4.127 20 0 DIADHM CSc1c(F)cccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436149072 338259719 /nfs/dbraw/zinc/25/97/19/338259719.db2.gz CENOEDRKQJHHFN-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM Cc1ccc2snc(-c3nc(-c4ccc([O-])cc4)no3)c2c1 ZINC000436509287 338274495 /nfs/dbraw/zinc/27/44/95/338274495.db2.gz ANQTYGGBZAZAMI-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM CCCCCN(CCCCC)C(=O)c1cccc(OC)c1[O-] ZINC000436513154 338274651 /nfs/dbraw/zinc/27/46/51/338274651.db2.gz LTZMBSHVKWKNAK-UHFFFAOYSA-N -1 3 307.434 4.223 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c([O-])c1 ZINC000436527315 338275177 /nfs/dbraw/zinc/27/51/77/338275177.db2.gz HWZBPHXRJWNXIU-CVEARBPZSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc2c(CCc3nc(-c4ccc([O-])cc4)no3)c[nH]c2c1 ZINC000436529986 338275282 /nfs/dbraw/zinc/27/52/82/338275282.db2.gz CXDSLVBEMRQDEM-UHFFFAOYSA-N -1 3 319.364 4.017 20 0 DIADHM C[C@H](CCc1ccccc1F)c1nc(-c2ccc([O-])cc2)no1 ZINC000436535904 338275987 /nfs/dbraw/zinc/27/59/87/338275987.db2.gz UNFKGMZBHRTKQE-GFCCVEGCSA-N -1 3 312.344 4.318 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000436541813 338276073 /nfs/dbraw/zinc/27/60/73/338276073.db2.gz YQRCLHRHTJSLAO-QGZVFWFLSA-N -1 3 309.409 4.145 20 0 DIADHM CCCN(C(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1OC ZINC000436540255 338276137 /nfs/dbraw/zinc/27/61/37/338276137.db2.gz OUXZNGASXDKIDX-AWEZNQCLSA-N -1 3 313.397 4.014 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1 ZINC000436544523 338276236 /nfs/dbraw/zinc/27/62/36/338276236.db2.gz DBDBRVBCZPRPNW-SFHVURJKSA-N -1 3 323.436 4.145 20 0 DIADHM Cc1ccc(C(=O)N(Cc2cccs2)C(C)C)c([O-])c1C ZINC000436548894 338276573 /nfs/dbraw/zinc/27/65/73/338276573.db2.gz NWTUGCVSLQWLKC-UHFFFAOYSA-N -1 3 303.427 4.121 20 0 DIADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@H](C)c1cccnc1 ZINC000436551078 338276606 /nfs/dbraw/zinc/27/66/06/338276606.db2.gz WTPVXIHICZXXOG-CQSZACIVSA-N -1 3 312.413 4.134 20 0 DIADHM C[C@H](Cn1ccc2ccccc21)c1nc(-c2ccc([O-])cc2)no1 ZINC000436566516 338277377 /nfs/dbraw/zinc/27/73/77/338277377.db2.gz QATBSNNOYUPPFP-CYBMUJFWSA-N -1 3 319.364 4.201 20 0 DIADHM CC(C)N(C(=O)c1cc2c(cc1[O-])CCCC2)C1CCCC1 ZINC000436567132 338277395 /nfs/dbraw/zinc/27/73/95/338277395.db2.gz YBFREHOPTLPKON-UHFFFAOYSA-N -1 3 301.430 4.064 20 0 DIADHM Cc1cccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1[O-] ZINC000436571214 338277640 /nfs/dbraw/zinc/27/76/40/338277640.db2.gz UUDXTTHBGMHTMH-UHFFFAOYSA-N -1 3 311.425 4.389 20 0 DIADHM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436571266 338277717 /nfs/dbraw/zinc/27/77/17/338277717.db2.gz CJUJEYNASSCYFX-CABCVRRESA-N -1 3 321.486 4.262 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c1[O-] ZINC000436578041 338277918 /nfs/dbraw/zinc/27/79/18/338277918.db2.gz VQAWEGOMXDVPCA-SJKOYZFVSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436579393 338278109 /nfs/dbraw/zinc/27/81/09/338278109.db2.gz YYQITXPEMPAOEE-FZKQIMNGSA-N -1 3 313.372 4.063 20 0 DIADHM CCCCN(C(=O)c1cc(C)cc(OC)c1[O-])c1ccccc1 ZINC000436578773 338278270 /nfs/dbraw/zinc/27/82/70/338278270.db2.gz SHBCICOTPAZQTI-UHFFFAOYSA-N -1 3 313.397 4.156 20 0 DIADHM CC[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436584860 338278569 /nfs/dbraw/zinc/27/85/69/338278569.db2.gz NYXXEVBYZOONEI-AWEZNQCLSA-N -1 3 311.381 4.057 20 0 DIADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccccc2[O-])cc1 ZINC000436586037 338278648 /nfs/dbraw/zinc/27/86/48/338278648.db2.gz AKWFDFJVYHBGAL-AEFFLSMTSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1[O-] ZINC000436590703 338278689 /nfs/dbraw/zinc/27/86/89/338278689.db2.gz UCLSKMQVBPBCBB-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1c1ccccc1 ZINC000436589124 338278696 /nfs/dbraw/zinc/27/86/96/338278696.db2.gz VKTHFLPBGBCUGI-DOTOQJQBSA-N -1 3 309.409 4.048 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(C)c1[O-] ZINC000436590768 338278754 /nfs/dbraw/zinc/27/87/54/338278754.db2.gz NYYVVBULCWIDNU-KRWDZBQOSA-N -1 3 311.425 4.102 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1[O-] ZINC000436592097 338278889 /nfs/dbraw/zinc/27/88/89/338278889.db2.gz SLGOMNBVZJOAFX-SJCJKPOMSA-N -1 3 313.372 4.063 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436590902 338278935 /nfs/dbraw/zinc/27/89/35/338278935.db2.gz OONIETVSMMTDCZ-KRWDZBQOSA-N -1 3 311.425 4.102 20 0 DIADHM CC[C@@H]1CCCC[C@H]1c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436592285 338278937 /nfs/dbraw/zinc/27/89/37/338278937.db2.gz SVBTWBNFBHAJRT-VXGBXAGGSA-N -1 3 302.374 4.135 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(C)ccc1[O-] ZINC000436591398 338278994 /nfs/dbraw/zinc/27/89/94/338278994.db2.gz WJCSLHKRXGAVMV-KRWDZBQOSA-N -1 3 311.425 4.184 20 0 DIADHM CC[C@H]1CCCC[C@H]1c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436595085 338279098 /nfs/dbraw/zinc/27/90/98/338279098.db2.gz KYOOQZPIGZQFJN-WCQYABFASA-N -1 3 302.374 4.135 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC(C)(C3CC3)CC2)c([O-])c1 ZINC000436602125 338279435 /nfs/dbraw/zinc/27/94/35/338279435.db2.gz DLBVJMAEHOJLIC-UHFFFAOYSA-N -1 3 301.430 4.168 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3cccs3)n2)c2ccccc12 ZINC000436613186 338279883 /nfs/dbraw/zinc/27/98/83/338279883.db2.gz PEHLWANEJAMESO-UHFFFAOYSA-N -1 3 308.362 4.248 20 0 DIADHM CCCN(CCC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436613784 338279973 /nfs/dbraw/zinc/27/99/73/338279973.db2.gz XNQMMAQDOSUWPV-UHFFFAOYSA-N -1 3 311.425 4.245 20 0 DIADHM [O-]c1ccc(-c2noc(COc3ccsc3)n2)c2ccccc12 ZINC000436617347 338280170 /nfs/dbraw/zinc/28/01/70/338280170.db2.gz KHAMETWLQQACKL-UHFFFAOYSA-N -1 3 324.361 4.236 20 0 DIADHM CCC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436620495 338280235 /nfs/dbraw/zinc/28/02/35/338280235.db2.gz VUUOUPWACALAPZ-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM CCc1occc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436621500 338280287 /nfs/dbraw/zinc/28/02/87/338280287.db2.gz XXYAVIUGZWGLGC-UHFFFAOYSA-N -1 3 306.321 4.418 20 0 DIADHM Cc1ccc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c([O-])c1 ZINC000436619667 338280377 /nfs/dbraw/zinc/28/03/77/338280377.db2.gz XCCHAPPPZZERMZ-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c([O-])c1C ZINC000436625316 338280397 /nfs/dbraw/zinc/28/03/97/338280397.db2.gz DNANJFQDBWQURU-DXRVJIQQSA-N -1 3 321.420 4.327 20 0 DIADHM Cc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1[O-] ZINC000436640150 338280964 /nfs/dbraw/zinc/28/09/64/338280964.db2.gz GQHXBVVZVGLSBN-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCC1(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436654002 338281597 /nfs/dbraw/zinc/28/15/97/338281597.db2.gz HLYDICDINRDJRL-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM Cc1cc(O)ccc1-c1nc2cc(Cl)c(Cl)cc2c(=O)[n-]1 ZINC000436669700 338282120 /nfs/dbraw/zinc/28/21/20/338282120.db2.gz BGLAJUKPXACTRW-UHFFFAOYSA-N -1 3 321.163 4.323 20 0 DIADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000436674061 338282391 /nfs/dbraw/zinc/28/23/91/338282391.db2.gz GRQYHIUVMCTYFH-QXAKKESOSA-N -1 3 321.420 4.191 20 0 DIADHM CC(C)[C@@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436690819 338282942 /nfs/dbraw/zinc/28/29/42/338282942.db2.gz RPCIAQJXDYXFSZ-IBGZPJMESA-N -1 3 323.436 4.048 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436702989 338283316 /nfs/dbraw/zinc/28/33/16/338283316.db2.gz KOTPEKVHWCUQAR-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CCCCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCC[C@H](C)C1 ZINC000436704999 338283533 /nfs/dbraw/zinc/28/35/33/338283533.db2.gz LXNXZYDBPMWFTR-HOCLYGCPSA-N -1 3 319.445 4.222 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436730319 338284488 /nfs/dbraw/zinc/28/44/88/338284488.db2.gz KVUYCMDXKNEUKO-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000436731656 338284660 /nfs/dbraw/zinc/28/46/60/338284660.db2.gz QHVWJTYIXKFZCY-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM CCN(CCc1cccs1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436741200 338284944 /nfs/dbraw/zinc/28/49/44/338284944.db2.gz SFTPSGBDJGMRFI-UHFFFAOYSA-N -1 3 317.454 4.282 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c([O-])c1C ZINC000436747604 338285116 /nfs/dbraw/zinc/28/51/16/338285116.db2.gz LVGCXJVROFHMOS-MRXNPFEDSA-N -1 3 315.438 4.294 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436748613 338285190 /nfs/dbraw/zinc/28/51/90/338285190.db2.gz GXIGUKSMCMJMFT-DOTOQJQBSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436750028 338285315 /nfs/dbraw/zinc/28/53/15/338285315.db2.gz LSWFHUPJZPRKFO-WBVHZDCISA-N -1 3 309.409 4.109 20 0 DIADHM C[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755453 338285780 /nfs/dbraw/zinc/28/57/80/338285780.db2.gz NHXYGQOCCBCGAD-CQSZACIVSA-N -1 3 311.381 4.199 20 0 DIADHM C[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436758105 338285959 /nfs/dbraw/zinc/28/59/59/338285959.db2.gz LHVJJYZUKVUQKI-CQSZACIVSA-N -1 3 311.381 4.057 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c([O-])c1C ZINC000436766475 338286437 /nfs/dbraw/zinc/28/64/37/338286437.db2.gz DRYHSHUMNLBZQU-SFHVURJKSA-N -1 3 323.436 4.104 20 0 DIADHM [O-]c1ccc(-c2noc(C[C@H]3CCCc4ccccc43)n2)cc1 ZINC000436770033 338286551 /nfs/dbraw/zinc/28/65/51/338286551.db2.gz PRTPPUKLOOSWIL-OAHLLOKOSA-N -1 3 306.365 4.105 20 0 DIADHM CCc1cccc2c(Cc3nc(-c4ccc([O-])cc4)no3)c[nH]c21 ZINC000436767716 338286595 /nfs/dbraw/zinc/28/65/95/338286595.db2.gz HHHYJGQVFXTVBJ-UHFFFAOYSA-N -1 3 319.364 4.077 20 0 DIADHM [O-]c1ccc(-c2noc(CSc3ccc(Cl)cc3)n2)cc1 ZINC000436767173 338286644 /nfs/dbraw/zinc/28/66/44/338286644.db2.gz FZOKKDRJDSQWAH-UHFFFAOYSA-N -1 3 318.785 4.388 20 0 DIADHM CCc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436769529 338286669 /nfs/dbraw/zinc/28/66/69/338286669.db2.gz KASNJIVABFDBQL-DLBZAZTESA-N -1 3 306.365 4.276 20 0 DIADHM COc1cc(C)cc(-c2nc(-c3occc3C(C)C)no2)c1[O-] ZINC000436771607 338286701 /nfs/dbraw/zinc/28/67/01/338286701.db2.gz ADXFSBHGOUDYDE-UHFFFAOYSA-N -1 3 314.341 4.143 20 0 DIADHM COc1ccccc1C/C(C)=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436771145 338286856 /nfs/dbraw/zinc/28/68/56/338286856.db2.gz XWIOQYKHJIPVBI-SEYXRHQNSA-N -1 3 322.364 4.097 20 0 DIADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)ccc1[O-] ZINC000436785232 338287337 /nfs/dbraw/zinc/28/73/37/338287337.db2.gz SVQWHKQFCRWGSP-RDJZCZTQSA-N -1 3 309.409 4.109 20 0 DIADHM COc1cc(-c2noc(-c3cc4ccccc4s3)n2)ccc1[O-] ZINC000436790472 338287464 /nfs/dbraw/zinc/28/74/64/338287464.db2.gz OOZOIITUUYRBIM-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436795606 338287716 /nfs/dbraw/zinc/28/77/16/338287716.db2.gz ZKDRCTRKMYJORM-KRWDZBQOSA-N -1 3 301.361 4.001 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2OC(C)C)ccc1[O-] ZINC000436795924 338287841 /nfs/dbraw/zinc/28/78/41/338287841.db2.gz SHWIAUOXPAUNKG-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM Cc1ccc2oc(C(=O)Nc3cc(Cl)cc(C)c3[O-])cc2n1 ZINC000436804912 338287952 /nfs/dbraw/zinc/28/79/52/338287952.db2.gz BYWMXRFCDANSDV-UHFFFAOYSA-N -1 3 316.744 4.056 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3ccc4[nH]ccc4c3)n2)cc1 ZINC000436815226 338288282 /nfs/dbraw/zinc/28/82/82/338288282.db2.gz KBYKHHJYSYVJCW-KRXBUXKQSA-N -1 3 303.321 4.094 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c([O-])c1 ZINC000436827713 338288852 /nfs/dbraw/zinc/28/88/52/338288852.db2.gz FWQQGVWTFJAPHN-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c([O-])c1 ZINC000436833388 338289203 /nfs/dbraw/zinc/28/92/03/338289203.db2.gz YJZWIGSBILITDH-QGZVFWFLSA-N -1 3 301.430 4.166 20 0 DIADHM COc1cc(-c2noc(-c3ccc4sccc4c3)n2)ccc1[O-] ZINC000436865049 338290450 /nfs/dbraw/zinc/29/04/50/338290450.db2.gz RDYIAWSCQMCDEI-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM C[C@H](c1cn(C)c2ccccc12)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868080 338290659 /nfs/dbraw/zinc/29/06/59/338290659.db2.gz FSRBPBRLFWJOQR-GFCCVEGCSA-N -1 3 319.364 4.086 20 0 DIADHM COc1cc(-c2noc([C@@H](F)CC3CCCCC3)n2)ccc1[O-] ZINC000436877177 338291338 /nfs/dbraw/zinc/29/13/38/338291338.db2.gz NIZRLOQYLMLTOO-ZDUSSCGKSA-N -1 3 320.364 4.432 20 0 DIADHM CCCc1nc(-c2noc(-c3cc4ccccc4cc3[O-])n2)co1 ZINC000436883871 338291770 /nfs/dbraw/zinc/29/17/70/338291770.db2.gz JCEFKWSZQVHFEY-UHFFFAOYSA-N -1 3 321.336 4.203 20 0 DIADHM CCCOC1(c2noc(-c3cc(C)ccc3[O-])n2)CCCCC1 ZINC000436882856 338291829 /nfs/dbraw/zinc/29/18/29/338291829.db2.gz XBBLBACVSHZIKK-UHFFFAOYSA-N -1 3 316.401 4.337 20 0 DIADHM COc1cc(C)cc(-c2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC000436889083 338292028 /nfs/dbraw/zinc/29/20/28/338292028.db2.gz AUOVWCVGXQONJK-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1[O-] ZINC000436894437 338292336 /nfs/dbraw/zinc/29/23/36/338292336.db2.gz SVFQRKYJXSXZDR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/29/37/71/338293771.db2.gz MOCWSSUWPBVNOJ-LRDDRELGSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(Cl)c2OC(C)C)ccc1[O-] ZINC000436927606 338293883 /nfs/dbraw/zinc/29/38/83/338293883.db2.gz SVICVVFGDFXISR-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM Cc1ccc([O-])c(-c2nc([C@H](C)c3c(F)cccc3F)no2)c1 ZINC000436932178 338294297 /nfs/dbraw/zinc/29/42/97/338294297.db2.gz AYTGAIQRUIUNRD-SNVBAGLBSA-N -1 3 316.307 4.181 20 0 DIADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436935486 338294517 /nfs/dbraw/zinc/29/45/17/338294517.db2.gz CJMODSYXUNSZJY-RVKKMQEKSA-N -1 3 309.409 4.107 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3cc(Cl)ccc3C)no2)c1 ZINC000436938468 338294658 /nfs/dbraw/zinc/29/46/58/338294658.db2.gz LMRKKIAUWIMNDP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCS[C@@H](C)c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436945897 338295120 /nfs/dbraw/zinc/29/51/20/338295120.db2.gz QYTJLFWPTJJYAN-JTQLQIEISA-N -1 3 304.415 4.135 20 0 DIADHM [O-]c1ccc(-c2noc(-c3nc4ccccc4cc3Cl)n2)cc1 ZINC000436945136 338295232 /nfs/dbraw/zinc/29/52/32/338295232.db2.gz FKGGFAZPMQZSIZ-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1cccc(C2(c3noc(-c4cccc(C)c4[O-])n3)CC2)c1 ZINC000436954960 338295717 /nfs/dbraw/zinc/29/57/17/338295717.db2.gz JEUGUGBFINENLI-UHFFFAOYSA-N -1 3 306.365 4.139 20 0 DIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2Cl)c(C)c1 ZINC000437667344 338317879 /nfs/dbraw/zinc/31/78/79/338317879.db2.gz IGMLSLWWZMIACP-UHFFFAOYSA-N -1 3 315.847 4.128 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3CCSc4ccccc43)n2)cc1 ZINC000438755606 338351729 /nfs/dbraw/zinc/35/17/29/338351729.db2.gz QKQXYZXQSRSFJG-CQSZACIVSA-N -1 3 310.378 4.070 20 0 DIADHM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])c1C ZINC000439325407 338367261 /nfs/dbraw/zinc/36/72/61/338367261.db2.gz KKOGINBASMJRFN-GOSISDBHSA-N -1 3 309.409 4.295 20 0 DIADHM CC(C)c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)c([O-])c1 ZINC000439570442 338373372 /nfs/dbraw/zinc/37/33/72/338373372.db2.gz JYSXLIIFLSQCME-LLVKDONJSA-N 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DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC2(CCCC2)C1 ZINC000469653437 339294914 /nfs/dbraw/zinc/29/49/14/339294914.db2.gz BCKIZAPBHBSHPT-UHFFFAOYSA-N -1 3 319.420 4.037 20 0 DIADHM Cc1[nH]c2c(cc(C)cc2CNCc2cc([O-])cc(F)c2)c1C ZINC000472046718 339360618 /nfs/dbraw/zinc/36/06/18/339360618.db2.gz GSGYZNCAGWKQKO-UHFFFAOYSA-N -1 3 312.388 4.228 20 0 DIADHM CC(C)COc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472065976 339361980 /nfs/dbraw/zinc/36/19/80/339361980.db2.gz PBLANTZVAPVVAJ-CQSZACIVSA-N -1 3 317.404 4.417 20 0 DIADHM CC(C)Cn1ncc(NCc2cc([O-])cc(F)c2)c1C(C)C ZINC000472079081 339362977 /nfs/dbraw/zinc/36/29/77/339362977.db2.gz FXFADNMCXCNYAO-UHFFFAOYSA-N -1 3 305.397 4.119 20 0 DIADHM CC(C)(C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])C(F)F ZINC000472428375 339371655 /nfs/dbraw/zinc/37/16/55/339371655.db2.gz FHHZFMISRLFQJF-UHFFFAOYSA-N -1 3 319.351 4.213 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2cc(F)cc(F)c2OC)on1 ZINC000472498290 339372757 /nfs/dbraw/zinc/37/27/57/339372757.db2.gz KPKQDRNSNFVEJV-UHFFFAOYSA-N 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ZINC000501973427 340091783 /nfs/dbraw/zinc/09/17/83/340091783.db2.gz DIOZIQIKJCZJLT-UHFFFAOYSA-N -1 3 305.324 4.220 20 0 DIADHM O=C(CCc1cc2ccccc2o1)Nc1cc(Cl)ccc1[O-] ZINC000502705658 340111691 /nfs/dbraw/zinc/11/16/91/340111691.db2.gz AFGHOYOJFNWRSK-UHFFFAOYSA-N -1 3 315.756 4.363 20 0 DIADHM CCc1ccc2nc([N-]C(=O)c3cc(C(C)C)no3)sc2c1 ZINC000504586399 340149736 /nfs/dbraw/zinc/14/97/36/340149736.db2.gz TYLTZFDULRJZBC-UHFFFAOYSA-N -1 3 315.398 4.222 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2ncc(-c3ccccc3)s2)on1 ZINC000504721820 340151632 /nfs/dbraw/zinc/15/16/32/340151632.db2.gz DMQDRKSIFFXQDJ-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2ccc3ncccc3c2)c([O-])c1 ZINC000506234036 340189572 /nfs/dbraw/zinc/18/95/72/340189572.db2.gz WLRPPDZBZPMYLD-UHFFFAOYSA-N -1 3 320.392 4.490 20 0 DIADHM COc1cc(C)sc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506233822 340189604 /nfs/dbraw/zinc/18/96/04/340189604.db2.gz VPGHTBQEALLOAN-UHFFFAOYSA-N -1 3 319.426 4.321 20 0 DIADHM CC(=O)c1csc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000506240058 340189695 /nfs/dbraw/zinc/18/96/95/340189695.db2.gz YVJZIZBKZLZXJD-UHFFFAOYSA-N -1 3 317.410 4.206 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2ccc(F)c(F)c2F)c([O-])c1 ZINC000506242398 340189747 /nfs/dbraw/zinc/18/97/47/340189747.db2.gz CORBBMAEKRSLCM-UHFFFAOYSA-N -1 3 323.314 4.359 20 0 DIADHM Cc1nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])cc2o1 ZINC000506242210 340189757 /nfs/dbraw/zinc/18/97/57/340189757.db2.gz ASVPSILYOTVWPN-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2c(F)cccc2F)c([O-])c1 ZINC000506250560 340189950 /nfs/dbraw/zinc/18/99/50/340189950.db2.gz RAKUNEAUYCOSSZ-UHFFFAOYSA-N -1 3 305.324 4.220 20 0 DIADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1ccsc1 ZINC000506250037 340189960 /nfs/dbraw/zinc/18/99/60/340189960.db2.gz OQNSDKXUNMGLRN-NSHDSACASA-N -1 3 303.427 4.493 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1F ZINC000506248143 340189985 /nfs/dbraw/zinc/18/99/85/340189985.db2.gz JHNVZHHHXFGHMA-UHFFFAOYSA-N 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C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000134215136 341209575 /nfs/dbraw/zinc/20/95/75/341209575.db2.gz OWIYECDMYCRZQZ-QMMMGPOBSA-N -1 3 315.316 4.215 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccc(Cl)cc3o2)n1 ZINC000134963440 341227399 /nfs/dbraw/zinc/22/73/99/341227399.db2.gz OEHQPDHMHCJKSZ-MRVPVSSYSA-N -1 3 321.789 4.139 20 0 DIADHM Cc1ccnc(C(=O)[N-]c2ccccc2SC2CCCC2)n1 ZINC000547768240 341231360 /nfs/dbraw/zinc/23/13/60/341231360.db2.gz DWDUJLBIEJUXDJ-UHFFFAOYSA-N -1 3 313.426 4.072 20 0 DIADHM C[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])n1cccc1 ZINC000548890295 341280008 /nfs/dbraw/zinc/28/00/08/341280008.db2.gz CTRSYYMFNKCVBQ-CYBMUJFWSA-N -1 3 300.402 4.081 20 0 DIADHM C[C@H](C1CCCCC1)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000549161304 341287566 /nfs/dbraw/zinc/28/75/66/341287566.db2.gz APWKPSQPCZSPAA-GFCCVEGCSA-N -1 3 309.837 4.015 20 0 DIADHM Cc1ccc(NC(=O)c2cc(C)cc3c(C)ccnc23)c([O-])c1 ZINC000550267332 341313873 /nfs/dbraw/zinc/31/38/73/341313873.db2.gz ZTHGKRAXNDIANV-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CC(C)(C)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550452830 341317385 /nfs/dbraw/zinc/31/73/85/341317385.db2.gz BAHXQEINRYHMMF-UHFFFAOYSA-N -1 3 317.816 4.273 20 0 DIADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550969294 341328083 /nfs/dbraw/zinc/32/80/83/341328083.db2.gz VOUGOGCXGISVCM-CYBMUJFWSA-N -1 3 317.816 4.057 20 0 DIADHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000551487764 341342686 /nfs/dbraw/zinc/34/26/86/341342686.db2.gz OTQZMPSWXGIULV-IUODEOHRSA-N -1 3 315.800 4.064 20 0 DIADHM CCOc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)cc1Cl ZINC000551597425 341346849 /nfs/dbraw/zinc/34/68/49/341346849.db2.gz RNYWYXCAZIIRMX-UHFFFAOYSA-N -1 3 318.735 4.194 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\C3CCOCC3)n2)c2ccccc12 ZINC000551606390 341347041 /nfs/dbraw/zinc/34/70/41/341347041.db2.gz ZNOOPJVLXCFCDV-YVMONPNESA-N -1 3 322.364 4.035 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)C1CCCCC1 ZINC000551702666 341349467 /nfs/dbraw/zinc/34/94/67/341349467.db2.gz BOJPMAKTMQHNAQ-VXGBXAGGSA-N -1 3 309.837 4.380 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC000552069103 341367316 /nfs/dbraw/zinc/36/73/16/341367316.db2.gz BSYMFGYMYWIQHN-UHFFFAOYSA-N -1 3 324.163 4.154 20 0 DIADHM C[C@@H](C1CC1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000552110376 341370470 /nfs/dbraw/zinc/37/04/70/341370470.db2.gz KRRJHUBTEBQHKT-HNNXBMFYSA-N -1 3 323.436 4.048 20 0 DIADHM Cc1ccc(NC(=O)CCCc2ccccc2Cl)c([O-])c1 ZINC000564390490 341388413 /nfs/dbraw/zinc/38/84/13/341388413.db2.gz PHEBGNVUMKIKHK-UHFFFAOYSA-N -1 3 303.789 4.315 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000552435408 341393566 /nfs/dbraw/zinc/39/35/66/341393566.db2.gz GAOHVVCGHWWDMO-GXSJLCMTSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000552435410 341393574 /nfs/dbraw/zinc/39/35/74/341393574.db2.gz GAOHVVCGHWWDMO-MWLCHTKSSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000552781719 341404121 /nfs/dbraw/zinc/40/41/21/341404121.db2.gz UONGFTDYZOHXEF-RKDXNWHRSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000552958775 341410603 /nfs/dbraw/zinc/41/06/03/341410603.db2.gz BJOXBZSSPXJOGE-QRQLOZEOSA-N -1 3 321.420 4.109 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)Cc2cncc3ccccc32)c([O-])c1 ZINC000553628238 341432715 /nfs/dbraw/zinc/43/27/15/341432715.db2.gz NNCWNPJELLWMBU-AWEZNQCLSA-N -1 3 320.392 4.066 20 0 DIADHM Cc1ccc(NC(=O)[C@H](C)Cc2cncc3ccccc32)c([O-])c1 ZINC000553628239 341432764 /nfs/dbraw/zinc/43/27/64/341432764.db2.gz NNCWNPJELLWMBU-CQSZACIVSA-N -1 3 320.392 4.066 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1sccc1OC(F)F ZINC000554361957 341451279 /nfs/dbraw/zinc/45/12/79/341451279.db2.gz BGNXEHYAMBFVSY-UHFFFAOYSA-N -1 3 323.242 4.019 20 0 DIADHM O=C(Nc1ccc(-c2ccccc2)cn1)c1cc([O-])ccc1Cl ZINC000554983202 341471548 /nfs/dbraw/zinc/47/15/48/341471548.db2.gz ZFCZWOVVXAUIBA-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM O=C([N-]c1nc2cc(F)c(F)cc2s1)c1sccc1F ZINC000555671680 341488349 /nfs/dbraw/zinc/48/83/49/341488349.db2.gz KGAYQVVDYLSALK-UHFFFAOYSA-N -1 3 314.313 4.027 20 0 DIADHM O=C(CC/C=C\c1ccccc1)N1CCCc2cccc([O-])c21 ZINC000255048082 341500619 /nfs/dbraw/zinc/50/06/19/341500619.db2.gz WYPPTCXTZCEADY-WMZJFQQLSA-N -1 3 307.393 4.165 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000566025601 341545879 /nfs/dbraw/zinc/54/58/79/341545879.db2.gz CVFVYVQYYYABSD-MNOVXSKESA-N -1 3 323.726 4.066 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]2CCCC[C@H]12 ZINC000566886644 341570778 /nfs/dbraw/zinc/57/07/78/341570778.db2.gz WLIORXBEFYYFLL-AXAPSJFSSA-N -1 3 307.821 4.086 20 0 DIADHM CSc1ccsc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000175838455 341847941 /nfs/dbraw/zinc/84/79/41/341847941.db2.gz LDWXGJDXDRNEQY-UHFFFAOYSA-N -1 3 313.831 4.390 20 0 DIADHM COc1ccc2oc(-c3nc(-c4ccc([O-])cc4)no3)c(C)c2c1 ZINC000576896986 341868684 /nfs/dbraw/zinc/86/86/84/341868684.db2.gz SSOZVPDXDOUTFN-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM CCc1ccsc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186317643 517855521 /nfs/dbraw/zinc/85/55/21/517855521.db2.gz KVUSMFISNPMUCF-LLVKDONJSA-N -1 3 301.411 4.170 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000128673304 518201107 /nfs/dbraw/zinc/20/11/07/518201107.db2.gz PWBHTMWPUQASSS-RKDXNWHRSA-N -1 3 323.726 4.066 20 0 DIADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000284172260 534634909 /nfs/dbraw/zinc/63/49/09/534634909.db2.gz JNRCHUPZEKZNMS-LBPRGKRZSA-N -1 3 318.244 4.363 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1Cl ZINC000339379933 526360200 /nfs/dbraw/zinc/36/02/00/526360200.db2.gz PADRYXJNPWFBAJ-HNNXBMFYSA-N -1 3 305.780 4.352 20 0 DIADHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000182905856 526676691 /nfs/dbraw/zinc/67/66/91/526676691.db2.gz PCFWICAEGBYGEZ-GFCCVEGCSA-N -1 3 318.442 4.114 20 0 DIADHM CC(C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000299607552 535115637 /nfs/dbraw/zinc/11/56/37/535115637.db2.gz WYDGXHCNPWZDNP-UHFFFAOYSA-N -1 3 306.412 4.299 20 0 DIADHM [O-]c1cc(Nc2ncc(F)cc2Br)ccc1Cl ZINC001212589297 1051584847 /nfs/dbraw/zinc/58/48/47/1051584847.db2.gz DYPPIXCGUQYLJZ-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cc(C)c(NCc2ncccc2[O-])c(C)c1Br ZINC001169732101 1051687360 /nfs/dbraw/zinc/68/73/60/1051687360.db2.gz GPVLEVSIXWMLFH-UHFFFAOYSA-N -1 3 321.218 4.087 20 0 DIADHM [O-]c1cc(F)cnc1Nc1cnc(Cl)c(Cl)c1Cl ZINC001250197869 1060676915 /nfs/dbraw/zinc/67/69/15/1060676915.db2.gz KUBILAMPDGDWIC-UHFFFAOYSA-N -1 3 308.527 4.025 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(Cl)c2)CCC1 ZINC000129275319 1035641369 /nfs/dbraw/zinc/64/13/69/1035641369.db2.gz IAVGCBBWILUUKU-UHFFFAOYSA-N -1 3 319.763 4.245 20 0 DIADHM O=[S@](Cc1c(Cl)cccc1Cl)c1ccc([O-])cc1 ZINC000108084644 1035723406 /nfs/dbraw/zinc/72/34/06/1035723406.db2.gz KVZPYXOAYMZORE-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000063240217 1035742932 /nfs/dbraw/zinc/74/29/32/1035742932.db2.gz XAIFCTYKFQWASE-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722634227 1035747086 /nfs/dbraw/zinc/74/70/86/1035747086.db2.gz GIMSQBJHPFXYIB-OUAUKWLOSA-N -1 3 316.228 4.097 20 0 DIADHM CC(C)c1nnc([N-]C(=O)c2cc(Cl)sc2Cl)s1 ZINC000026571368 1035833025 /nfs/dbraw/zinc/83/30/25/1035833025.db2.gz ONRMOHYPGFUNQV-UHFFFAOYSA-N -1 3 322.242 4.282 20 0 DIADHM COc1ccccc1NC(=O)Nc1cc2ccccc2cc1[O-] ZINC000166502717 1035950276 /nfs/dbraw/zinc/95/02/76/1035950276.db2.gz GRPNIDURBWJZPJ-UHFFFAOYSA-N -1 3 308.337 4.198 20 0 DIADHM O=C(Nc1nc(-c2ccco2)cs1)c1cc([O-])ccc1Cl ZINC000340090026 1036163825 /nfs/dbraw/zinc/16/38/25/1036163825.db2.gz MPWZMAYFKLGEOW-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533616731 1036347617 /nfs/dbraw/zinc/34/76/17/1036347617.db2.gz VTTNZOPVZMBCCP-MNOVXSKESA-N -1 3 307.802 4.158 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2cccc3ccccc32)c1 ZINC000109813498 1036348621 /nfs/dbraw/zinc/34/86/21/1036348621.db2.gz ILTZWFFWCWZHKT-UHFFFAOYSA-N -1 3 319.404 4.380 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/CCCCOCc1ccccc1 ZINC000064853131 1036509436 /nfs/dbraw/zinc/50/94/36/1036509436.db2.gz NUQUFGJJFVIIQX-DEDYPNTBSA-N -1 3 317.816 4.462 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(F)nc1Br ZINC001210218108 1036533956 /nfs/dbraw/zinc/53/39/56/1036533956.db2.gz DWZUXTJMILQILB-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(OC(F)(F)F)ccn1 ZINC001210219419 1036536661 /nfs/dbraw/zinc/53/66/61/1036536661.db2.gz JTAXXDJDGCSFTK-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1cccc(Cl)c1[O-] ZINC001210222828 1036540395 /nfs/dbraw/zinc/54/03/95/1036540395.db2.gz FCKDGVCUPFVJCO-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129507081 1036942633 /nfs/dbraw/zinc/94/26/33/1036942633.db2.gz ZQFRPJDMYYLHFU-PWSUYJOCSA-N -1 3 324.405 4.263 20 0 DIADHM [O-]c1cccc(Nc2ccnn2-c2ccc(F)cc2)c1Cl ZINC001210853856 1037011330 /nfs/dbraw/zinc/01/13/30/1037011330.db2.gz MZMIIHQNZWJZRL-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM CC1(C)COC(c2ccccc2Nc2cccc([O-])c2Cl)=N1 ZINC001210859780 1037020623 /nfs/dbraw/zinc/02/06/23/1037020623.db2.gz NYWZOPFIUSOCCK-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM COC(=O)c1cc(F)c(C)c(Nc2cccc([O-])c2Cl)c1 ZINC001210859489 1037021536 /nfs/dbraw/zinc/02/15/36/1037021536.db2.gz JRVHTYLGWGRARC-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM CC(=O)c1ccc(C(F)(F)F)cc1Nc1ccc(F)c([O-])c1 ZINC001211220624 1037213003 /nfs/dbraw/zinc/21/30/03/1037213003.db2.gz NHPLXIRKVZWSOF-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM Cc1ccc(Nc2cnccc2Br)c(Cl)c1[O-] ZINC001211235001 1037223044 /nfs/dbraw/zinc/22/30/44/1037223044.db2.gz FNAGNIYYVPAQOU-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM O=c1cc(Nc2ccc(Cl)nc2Cl)n(C2CCCC2)[n-]1 ZINC001211271718 1037263247 /nfs/dbraw/zinc/26/32/47/1037263247.db2.gz WAALAIMUAGJFBN-UHFFFAOYSA-N -1 3 313.188 4.149 20 0 DIADHM O=C(NC[C@@H]1CCc2ccccc21)c1cc([O-])c2ccccc2c1 ZINC000580982395 1037396646 /nfs/dbraw/zinc/39/66/46/1037396646.db2.gz KVYJVNGHWWODRC-INIZCTEOSA-N -1 3 317.388 4.005 20 0 DIADHM Cc1ccsc1CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000048385857 1037562459 /nfs/dbraw/zinc/56/24/59/1037562459.db2.gz UVUCPUDBZBFLJL-UHFFFAOYSA-N -1 3 303.427 4.158 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(COC)cs2)CC)n1 ZINC000656614138 1037701240 /nfs/dbraw/zinc/70/12/40/1037701240.db2.gz VOGXJOMMNLCDEH-MDWZMJQESA-N -1 3 318.442 4.293 20 0 DIADHM Cc1cc([C@@H](C)N2CCC[C@H]2c2cccs2)oc1C(=O)[O-] ZINC000581612858 1037781559 /nfs/dbraw/zinc/78/15/59/1037781559.db2.gz HMCXTBMBHHKEQP-NEPJUHHUSA-N -1 3 305.399 4.246 20 0 DIADHM O=C([O-])c1ccc(CN2CCC(C3CCC3)CC2)cc1Cl ZINC000656758964 1037841680 /nfs/dbraw/zinc/84/16/80/1037841680.db2.gz RDHVQNBEYAARDU-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM O=C([O-])c1ccc(Cl)c(CN2CCC(C3CCC3)CC2)c1 ZINC000656760723 1037848045 /nfs/dbraw/zinc/84/80/45/1037848045.db2.gz YLQRCAMSUQDTSV-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM [O-]c1ccc(-c2ncc3ccc(F)cc3n2)c(C(F)(F)F)c1 ZINC001205065955 1038386041 /nfs/dbraw/zinc/38/60/41/1038386041.db2.gz BIPKIUZIUJPWRZ-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CCc1noc(C)c1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000342075443 1038388271 /nfs/dbraw/zinc/38/82/71/1038388271.db2.gz XOORWZCUQFBZJB-UHFFFAOYSA-N -1 3 314.719 4.038 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(Cl)c2OC(C)C)c1[O-] ZINC000605278946 1038502861 /nfs/dbraw/zinc/50/28/61/1038502861.db2.gz QOPHQADERIETBX-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1c(C)noc1C(C)C ZINC000622904856 1038550883 /nfs/dbraw/zinc/55/08/83/1038550883.db2.gz KGHXHOFULZUKOH-UHFFFAOYSA-N -1 3 308.378 4.220 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000563280144 1038610703 /nfs/dbraw/zinc/61/07/03/1038610703.db2.gz LEYTTXHHVJSSRI-TVQRCGJNSA-N -1 3 316.228 4.240 20 0 DIADHM CC(C)[C@@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536989 1038612979 /nfs/dbraw/zinc/61/29/79/1038612979.db2.gz OYIARPIFTWDEMD-OAHLLOKOSA-N -1 3 307.409 4.000 20 0 DIADHM CC[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000606536864 1038613361 /nfs/dbraw/zinc/61/33/61/1038613361.db2.gz SILQCQKBIQXDOQ-OAHLLOKOSA-N -1 3 315.388 4.040 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1CC1CCC1 ZINC001167602341 1038769823 /nfs/dbraw/zinc/76/98/23/1038769823.db2.gz HEDJUHWZPKLJLN-ZDUSSCGKSA-N -1 3 307.821 4.231 20 0 DIADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)c(F)c1 ZINC000608354595 1038827109 /nfs/dbraw/zinc/82/71/09/1038827109.db2.gz PEPPJCBTBWMXKI-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000608354499 1038828040 /nfs/dbraw/zinc/82/80/40/1038828040.db2.gz HFUKZOOPVMLAIP-VIFPVBQESA-N -1 3 310.180 4.441 20 0 DIADHM CC(C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C1=CCCC1 ZINC000457189927 1039120125 /nfs/dbraw/zinc/12/01/25/1039120125.db2.gz XOORVRAXRZUQGY-UHFFFAOYSA-N -1 3 319.420 4.107 20 0 DIADHM Cc1cnn(-c2ccc(C)cc2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377149 1039130319 /nfs/dbraw/zinc/13/03/19/1039130319.db2.gz AACWCETXWOICES-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM Nc1ccc(Nc2cc(F)c([O-])c(F)c2)c(C(F)(F)F)c1 ZINC001213379142 1039196209 /nfs/dbraw/zinc/19/62/09/1039196209.db2.gz ACXMQJKURBALFI-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(Br)c(F)c2)cc1F ZINC001213379237 1039196354 /nfs/dbraw/zinc/19/63/54/1039196354.db2.gz HTAONBCAYKHHQL-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CCc1cccc(C(=O)N(C)c2ccc(F)c(Cl)c2)c1[O-] ZINC000540718881 1039549133 /nfs/dbraw/zinc/54/91/33/1039549133.db2.gz AWUXYJWPIQRVKG-UHFFFAOYSA-N -1 3 307.752 4.024 20 0 DIADHM C[C@H](Oc1cccc([O-])c1F)c1c(Cl)cncc1Cl ZINC001233870667 1039806282 /nfs/dbraw/zinc/80/62/82/1039806282.db2.gz GUZBEARTYRCETM-ZETCQYMHSA-N -1 3 302.132 4.373 20 0 DIADHM CC[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1SC(C)C ZINC000650806369 1040067950 /nfs/dbraw/zinc/06/79/50/1040067950.db2.gz YMKYGRPBUPNTHP-ZDUSSCGKSA-N -1 3 315.866 4.136 20 0 DIADHM Cc1ccc(CCCNC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000685570551 1040140140 /nfs/dbraw/zinc/14/01/40/1040140140.db2.gz BXCZWGDQOXDUFF-UHFFFAOYSA-N -1 3 317.816 4.025 20 0 DIADHM CC(C)Oc1c(F)cc([N-]c2nnc(C(C)(C)C)o2)cc1F ZINC001213417689 1040393293 /nfs/dbraw/zinc/39/32/93/1040393293.db2.gz YXXWKQPCTFBXDB-UHFFFAOYSA-N -1 3 311.332 4.176 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(Cl)c1F ZINC000159656923 1040565046 /nfs/dbraw/zinc/56/50/46/1040565046.db2.gz YNPTVOGKNVKMHB-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cnc(Cl)c(F)c1 ZINC000808699499 1041009147 /nfs/dbraw/zinc/00/91/47/1041009147.db2.gz ZBAIKFQTFIVQSQ-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1 ZINC000685896955 1041058165 /nfs/dbraw/zinc/05/81/65/1041058165.db2.gz LYECTKOFLHAHFX-UHFFFAOYSA-N -1 3 320.726 4.355 20 0 DIADHM S=C1Cc2ccc(NCc3nccc4ccccc43)cc2[N-]1 ZINC001167704494 1041220403 /nfs/dbraw/zinc/22/04/03/1041220403.db2.gz UBZNUGCXMGTKBW-UHFFFAOYSA-N -1 3 305.406 4.142 20 0 DIADHM O=C(Nc1ccc(O)c2ccccc12)c1cc([O-])ccc1Cl ZINC000809997085 1041288128 /nfs/dbraw/zinc/28/81/28/1041288128.db2.gz UQOJYJZNNKJLMT-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])ccc1Cl ZINC000810143609 1041320719 /nfs/dbraw/zinc/32/07/19/1041320719.db2.gz KDKVJOFFTSOHRX-SNVBAGLBSA-N -1 3 324.207 4.060 20 0 DIADHM O=C(O[C@@H](C1CC1)C(F)(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810626874 1041414739 /nfs/dbraw/zinc/41/47/39/1041414739.db2.gz VCVXLRGKNXCRNE-VIFPVBQESA-N -1 3 323.723 4.381 20 0 DIADHM CCc1cc(C)c(OC(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC001132914924 1041542986 /nfs/dbraw/zinc/54/29/86/1041542986.db2.gz ZEXGVFBASHCDSH-UHFFFAOYSA-N -1 3 304.773 4.444 20 0 DIADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OC/C=C/Cl)c2ccccc21 ZINC000812404576 1041618522 /nfs/dbraw/zinc/61/85/22/1041618522.db2.gz GSXQMGCXWXFSHL-HROVJIIKSA-N -1 3 307.821 4.104 20 0 DIADHM O=C(CCCc1csc2ccccc12)[N-]OC/C=C/Cl ZINC000812401976 1041618809 /nfs/dbraw/zinc/61/88/09/1041618809.db2.gz CCOWJSGGVNXGOI-RUDMXATFSA-N -1 3 309.818 4.024 20 0 DIADHM O=C(CCSc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000536222315 1041620875 /nfs/dbraw/zinc/62/08/75/1041620875.db2.gz ZFBHEFPXJRITDT-UHFFFAOYSA-N -1 3 307.802 4.167 20 0 DIADHM Cc1cc2ccccc2c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417045817 1041631288 /nfs/dbraw/zinc/63/12/88/1041631288.db2.gz VPATVSXWAIGJDJ-UHFFFAOYSA-N -1 3 305.381 4.133 20 0 DIADHM Cc1sccc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000417584416 1041686089 /nfs/dbraw/zinc/68/60/89/1041686089.db2.gz NPFRWNMINMUPOX-AWEZNQCLSA-N -1 3 309.818 4.016 20 0 DIADHM CC1(C)C[C@@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000651442287 1041693910 /nfs/dbraw/zinc/69/39/10/1041693910.db2.gz PQERQYUJJHNCTB-AWEZNQCLSA-N -1 3 324.380 4.268 20 0 DIADHM Cc1cc2[nH]c(C(=O)Nc3ccc(Cl)cc3[O-])cc2c(C)c1 ZINC001138015300 1041976610 /nfs/dbraw/zinc/97/66/10/1041976610.db2.gz ZXTTWRNLHSIISJ-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000048652030 1042018610 /nfs/dbraw/zinc/01/86/10/1042018610.db2.gz WJBNZELMMWCVFW-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc2[nH]ccc2c1 ZINC000816418809 1042050530 /nfs/dbraw/zinc/05/05/30/1042050530.db2.gz YPYVEPSXIPKTKS-UHFFFAOYSA-N -1 3 314.772 4.194 20 0 DIADHM O=C(Nc1ccc2c(c1)CCC2)c1cc2sccc2c([O-])c1 ZINC001135566556 1042052289 /nfs/dbraw/zinc/05/22/89/1042052289.db2.gz LRAXGKMEAOHZFJ-UHFFFAOYSA-N -1 3 309.390 4.348 20 0 DIADHM [O-]c1ccc(F)c(CNc2cccc(N3CCCCC3)c2)c1F ZINC000816523239 1042065318 /nfs/dbraw/zinc/06/53/18/1042065318.db2.gz IYTYLLDAINPZIM-UHFFFAOYSA-N -1 3 318.367 4.273 20 0 DIADHM Cc1c(F)cccc1N=Cc1cc(Br)ccc1[O-] ZINC000254405977 1042086376 /nfs/dbraw/zinc/08/63/76/1042086376.db2.gz IBCFCIGPQVFKMJ-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM [O-]c1ccc(Br)cc1C=Nc1ccc(F)c(F)c1 ZINC000254855395 1042098201 /nfs/dbraw/zinc/09/82/01/1042098201.db2.gz YIRLBLIXUGKOFH-UHFFFAOYSA-N -1 3 312.113 4.184 20 0 DIADHM CC(C)c1cccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000663262056 1042090527 /nfs/dbraw/zinc/09/05/27/1042090527.db2.gz HLCUJJIVUKXSCC-UHFFFAOYSA-N -1 3 319.351 4.076 20 0 DIADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817379626 1042104747 /nfs/dbraw/zinc/10/47/47/1042104747.db2.gz VLBMBUBYNJGLHL-NSHDSACASA-N -1 3 315.335 4.047 20 0 DIADHM CCC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001136051087 1042128313 /nfs/dbraw/zinc/12/83/13/1042128313.db2.gz QOKIYCVQTFYAND-MRXNPFEDSA-N -1 3 315.438 4.385 20 0 DIADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000817944936 1042130628 /nfs/dbraw/zinc/13/06/28/1042130628.db2.gz PMBWSHXYPNZQST-GOSISDBHSA-N -1 3 324.424 4.040 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC001136099213 1042137369 /nfs/dbraw/zinc/13/73/69/1042137369.db2.gz VADFMGCOERKMQI-UHFFFAOYSA-N -1 3 310.353 4.218 20 0 DIADHM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc2sccc2c([O-])c1 ZINC000818483420 1042151830 /nfs/dbraw/zinc/15/18/30/1042151830.db2.gz MLCQQBHMJJPCMB-HOCLYGCPSA-N -1 3 323.417 4.140 20 0 DIADHM CCc1ccc(C(=O)N(CC)Cc2ccc(Cl)cc2)c([O-])c1 ZINC001136184994 1042170947 /nfs/dbraw/zinc/17/09/47/1042170947.db2.gz KDUQVNMXNHEHKN-UHFFFAOYSA-N -1 3 317.816 4.270 20 0 DIADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(C)cc1[O-] ZINC001136255745 1042192716 /nfs/dbraw/zinc/19/27/16/1042192716.db2.gz CQHPLEDAVALODA-HNNXBMFYSA-N -1 3 313.397 4.046 20 0 DIADHM Cc1sc(NC(=O)c2ccc(C)cc2[O-])nc1-c1ccccc1 ZINC001136306091 1042207006 /nfs/dbraw/zinc/20/70/06/1042207006.db2.gz ROBXIWTUJQVPDA-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM O=C(/C=C\c1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000820509946 1042218574 /nfs/dbraw/zinc/21/85/74/1042218574.db2.gz KLIMMQDKLCCGFP-TWGQIWQCSA-N -1 3 308.164 4.351 20 0 DIADHM O=c1[n-]c(CSCc2ccccc2)nc2c3ccccc3oc21 ZINC000007049392 1042240497 /nfs/dbraw/zinc/24/04/97/1042240497.db2.gz ZPNLMWPTFLAKLV-UHFFFAOYSA-N -1 3 322.389 4.103 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(-c2ccco2)n1 ZINC000111210218 1042245101 /nfs/dbraw/zinc/24/51/01/1042245101.db2.gz BFTQGEKTLLQHFR-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001136430582 1042246828 /nfs/dbraw/zinc/24/68/28/1042246828.db2.gz XEPUKWAQMXYEQP-UHFFFAOYSA-N -1 3 319.470 4.297 20 0 DIADHM CC[C@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000279045023 1042263158 /nfs/dbraw/zinc/26/31/58/1042263158.db2.gz GJSTYWYALVKTRC-ZJUUUORDSA-N -1 3 311.838 4.007 20 0 DIADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])C1CCCCC1 ZINC001136519780 1042268672 /nfs/dbraw/zinc/26/86/72/1042268672.db2.gz FDCVXHPYVCEYOU-OAHLLOKOSA-N -1 3 307.459 4.203 20 0 DIADHM Cc1ccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)c([O-])c1 ZINC001136555214 1042278464 /nfs/dbraw/zinc/27/84/64/1042278464.db2.gz HCDMNSUZFSTUDX-UHFFFAOYSA-N -1 3 323.396 4.058 20 0 DIADHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC001136596107 1042291219 /nfs/dbraw/zinc/29/12/19/1042291219.db2.gz UVZCTXDFCSFQRT-WBMJQRKESA-N -1 3 309.837 4.380 20 0 DIADHM CCc1cccc(C(=O)Nc2scnc2-c2ccccc2)c1[O-] ZINC001136620351 1042299273 /nfs/dbraw/zinc/29/92/73/1042299273.db2.gz JJSKMJIPULSJDO-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC[C@H]1CCc2c(sc3[n-]c(-c4cncs4)nc(=O)c23)C1 ZINC000408365962 1042299446 /nfs/dbraw/zinc/29/94/46/1042299446.db2.gz MHOVVYDKKSCYDN-QMMMGPOBSA-N -1 3 317.439 4.035 20 0 DIADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC001136713439 1042324247 /nfs/dbraw/zinc/32/42/47/1042324247.db2.gz FFMKTBOMSDNDBT-IBGZPJMESA-N -1 3 317.388 4.271 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1[O-] ZINC001136736806 1042331094 /nfs/dbraw/zinc/33/10/94/1042331094.db2.gz PSWOLXMPURRUGI-GOSISDBHSA-N -1 3 311.425 4.390 20 0 DIADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000513708647 1042590165 /nfs/dbraw/zinc/59/01/65/1042590165.db2.gz VICAECYIARLLEE-UHFFFAOYSA-N -1 3 324.207 4.364 20 0 DIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C2CCCC2)cc1 ZINC000514974754 1042802786 /nfs/dbraw/zinc/80/27/86/1042802786.db2.gz UDYZHGAWPRYQIG-UHFFFAOYSA-N -1 3 313.372 4.119 20 0 DIADHM Cc1[nH]c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2c1C ZINC000518781012 1042920564 /nfs/dbraw/zinc/92/05/64/1042920564.db2.gz KWQMZMIJUDAPDU-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc3ccccc3s2)o1 ZINC000426770992 1042979990 /nfs/dbraw/zinc/97/99/90/1042979990.db2.gz YBKHSSAPMPCJHP-CQSZACIVSA-N -1 3 315.394 4.108 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000417524980 1043194674 /nfs/dbraw/zinc/19/46/74/1043194674.db2.gz AKGKYXOOGPHNDX-RKDXNWHRSA-N -1 3 324.273 4.424 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000417544142 1043200615 /nfs/dbraw/zinc/20/06/15/1043200615.db2.gz HBUDBUSAHLHEBN-MRVPVSSYSA-N -1 3 310.246 4.178 20 0 DIADHM Cc1ccc(NC(=O)C(C)C)cc1NCc1cc([O-])cc(F)c1 ZINC000185477090 1043202341 /nfs/dbraw/zinc/20/23/41/1043202341.db2.gz OQHITJYMHWPFEX-UHFFFAOYSA-N -1 3 316.376 4.046 20 0 DIADHM CC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccccc1OC ZINC000872021790 1043421293 /nfs/dbraw/zinc/42/12/93/1043421293.db2.gz QVYCZHKVKMBWKV-IUODEOHRSA-N -1 3 303.377 4.342 20 0 DIADHM COc1ccc(F)cc1[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872024393 1043423204 /nfs/dbraw/zinc/42/32/04/1043423204.db2.gz AGCHUWBHGZQBRZ-MNOVXSKESA-N -1 3 307.340 4.091 20 0 DIADHM C[C@@H](N[C@H]1CSCc2ccccc21)c1cccc([O-])c1F ZINC000872027305 1043423919 /nfs/dbraw/zinc/42/39/19/1043423919.db2.gz CUAWNISXOMFFLX-ABAIWWIYSA-N -1 3 303.402 4.170 20 0 DIADHM Cc1cccnc1[C@H](N[C@H](C)c1cccc([O-])c1F)C(C)C ZINC000872033891 1043429194 /nfs/dbraw/zinc/42/91/94/1043429194.db2.gz HIGMEOQAXJDNKI-CXAGYDPISA-N -1 3 302.393 4.283 20 0 DIADHM CC(C)COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccco1 ZINC000872031953 1043429489 /nfs/dbraw/zinc/42/94/89/1043429489.db2.gz VYOHPXHCXLUQOM-DZGCQCFKSA-N -1 3 321.392 4.189 20 0 DIADHM CSc1ccc(F)cc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872040414 1043430785 /nfs/dbraw/zinc/43/07/85/1043430785.db2.gz LLWXSQXHOWJJNB-JTQLQIEISA-N -1 3 309.381 4.243 20 0 DIADHM CSCc1cc(F)ccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872043374 1043433271 /nfs/dbraw/zinc/43/32/71/1043433271.db2.gz XKBKRSLZNWPHLV-LLVKDONJSA-N -1 3 323.408 4.384 20 0 DIADHM Cc1nc2c(s1)[C@H](N[C@H](C)c1cccc([O-])c1F)CCC2 ZINC000872060080 1043442996 /nfs/dbraw/zinc/44/29/96/1043442996.db2.gz LUGOLWDDJMZQLZ-BXKDBHETSA-N -1 3 306.406 4.024 20 0 DIADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872064321 1043445349 /nfs/dbraw/zinc/44/53/49/1043445349.db2.gz XVNXTIXPISRMCU-NWDGAFQWSA-N -1 3 319.424 4.203 20 0 DIADHM Cc1c(N[C@@H](C)c2cccc([O-])c2F)cnn1C1CCCC1 ZINC000872066166 1043445649 /nfs/dbraw/zinc/44/56/49/1043445649.db2.gz FYAPIBBDNUBTKP-NSHDSACASA-N -1 3 303.381 4.324 20 0 DIADHM Cc1c(N[C@H](C)c2cccc([O-])c2F)cnn1C1CCCC1 ZINC000872066165 1043445682 /nfs/dbraw/zinc/44/56/82/1043445682.db2.gz FYAPIBBDNUBTKP-LLVKDONJSA-N -1 3 303.381 4.324 20 0 DIADHM COC[C@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000872072356 1043450209 /nfs/dbraw/zinc/45/02/09/1043450209.db2.gz CTOMWFIRBQZLJJ-NHYWBVRUSA-N -1 3 323.795 4.223 20 0 DIADHM COc1cccc(C2(N[C@H](C)c3cccc([O-])c3F)CCC2)c1 ZINC000872089464 1043456423 /nfs/dbraw/zinc/45/64/23/1043456423.db2.gz YFRCBLSZRKUUMH-CYBMUJFWSA-N -1 3 315.388 4.270 20 0 DIADHM C[C@@H](NCc1ccsc1C(F)(F)F)c1cccc([O-])c1F ZINC000872092093 1043458853 /nfs/dbraw/zinc/45/88/53/1043458853.db2.gz NPXJBYFCMNQRSC-MRVPVSSYSA-N -1 3 319.323 4.462 20 0 DIADHM CC(C)C(=O)Nc1cccc(N[C@H](C)c2cc([O-])cc(F)c2)c1 ZINC000925738687 1043460717 /nfs/dbraw/zinc/46/07/17/1043460717.db2.gz VYFNLUWQARJDKD-GFCCVEGCSA-N -1 3 316.376 4.299 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(F)cccc2F)c(C(F)(F)F)o1 ZINC000348865240 1043474723 /nfs/dbraw/zinc/47/47/23/1043474723.db2.gz VMOXZVOLCIHBIU-UHFFFAOYSA-N -1 3 305.202 4.137 20 0 DIADHM CC(F)(F)c1c(F)cccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000872405616 1043496802 /nfs/dbraw/zinc/49/68/02/1043496802.db2.gz OKZMMBBBQDSBII-UHFFFAOYSA-N -1 3 319.348 4.137 20 0 DIADHM CC(C)[C@@H](c1ccccc1Cl)N(C)Cc1ncccc1[O-] ZINC000558402086 1043501911 /nfs/dbraw/zinc/50/19/11/1043501911.db2.gz ZLVQHTGADVDBHK-KRWDZBQOSA-N -1 3 304.821 4.270 20 0 DIADHM CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1cc([O-])cc(F)c1)CCC2 ZINC000926181709 1043539479 /nfs/dbraw/zinc/53/94/79/1043539479.db2.gz CJEKXCSORDVVHJ-YVEFUNNKSA-N -1 3 317.408 4.037 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000626277826 1043547220 /nfs/dbraw/zinc/54/72/20/1043547220.db2.gz RQMMFJZGBNBPPW-UHFFFAOYSA-N -1 3 316.788 4.381 20 0 DIADHM CC[C@@H](C)c1cc(C(=O)[N-]c2c(C)cccc2SC)on1 ZINC000184636979 1043676056 /nfs/dbraw/zinc/67/60/56/1043676056.db2.gz HKRCTULASUESEK-SNVBAGLBSA-N -1 3 304.415 4.471 20 0 DIADHM COc1cccc(SC)c1NC(=O)c1cc([O-])ccc1Cl ZINC001299496887 1043688734 /nfs/dbraw/zinc/68/87/34/1043688734.db2.gz RPCRNTJFDFSTBH-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM [O-]c1ccc(CNc2cccc(C3CCOCC3)c2)cc1F ZINC000895621413 1043717555 /nfs/dbraw/zinc/71/75/55/1043717555.db2.gz RVEPTKQEXLIOMD-UHFFFAOYSA-N -1 3 301.361 4.037 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])s1 ZINC000114670010 1043732532 /nfs/dbraw/zinc/73/25/32/1043732532.db2.gz IPBGEDRHJJQSCG-AWEZNQCLSA-N -1 3 301.411 4.048 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCCC[C@H]1c1ccco1 ZINC000354975668 1043734307 /nfs/dbraw/zinc/73/43/07/1043734307.db2.gz WUFNGAUFHDWQCZ-HNNXBMFYSA-N -1 3 319.788 4.396 20 0 DIADHM O=c1cc(CSCc2cnc3ccccc3c2)nc(C2CC2)[n-]1 ZINC000561244919 1043913127 /nfs/dbraw/zinc/91/31/27/1043913127.db2.gz XEUJLIBZJYNEJB-UHFFFAOYSA-N -1 3 323.421 4.041 20 0 DIADHM CC(C)c1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000016966026 1043916769 /nfs/dbraw/zinc/91/67/69/1043916769.db2.gz BHCCXIFKNPHOSB-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM CCN(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CCCC1 ZINC000127395568 1043925524 /nfs/dbraw/zinc/92/55/24/1043925524.db2.gz KYZCQXNOKRIABK-UHFFFAOYSA-N -1 3 322.522 4.285 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000626404564 1043935672 /nfs/dbraw/zinc/93/56/72/1043935672.db2.gz HMGOBTCRXNSUBR-MUSGIIIZSA-N -1 3 307.393 4.019 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000626404565 1043935900 /nfs/dbraw/zinc/93/59/00/1043935900.db2.gz HMGOBTCRXNSUBR-QOHRORDFSA-N -1 3 307.393 4.019 20 0 DIADHM O=c1ccnc(C(=Cc2ccccc2F)Cc2ccccc2)[n-]1 ZINC000357397811 1043947492 /nfs/dbraw/zinc/94/74/92/1043947492.db2.gz HLUDBIMBPHMJFQ-SSZFMOIBSA-N -1 3 306.340 4.105 20 0 DIADHM Cc1nc(CC(C)C)c(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000290619382 1043969970 /nfs/dbraw/zinc/96/99/70/1043969970.db2.gz WXJPDOXNPLSSHW-UHFFFAOYSA-N -1 3 324.833 4.261 20 0 DIADHM CCc1nc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c(C)o1 ZINC000561779144 1044003942 /nfs/dbraw/zinc/00/39/42/1044003942.db2.gz YSKTWOYJMSMKFX-UHFFFAOYSA-N -1 3 314.719 4.038 20 0 DIADHM CC(C)c1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)c([O-])c1 ZINC000896806824 1044019483 /nfs/dbraw/zinc/01/94/83/1044019483.db2.gz PCBMQYNWYVAHKB-JTQLQIEISA-N -1 3 313.184 4.227 20 0 DIADHM C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000128455382 1044043831 /nfs/dbraw/zinc/04/38/31/1044043831.db2.gz QRMOLAFEAQKHKI-KTKRTIGZSA-N -1 3 305.736 4.227 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCOc3cc(F)ccc32)c1Cl ZINC000293187512 1044257370 /nfs/dbraw/zinc/25/73/70/1044257370.db2.gz HSTVJFZLIHTBEA-AWEZNQCLSA-N -1 3 321.779 4.188 20 0 DIADHM C[C@H]1CC[C@@H](Oc2c([O-])cc(Br)cc2F)CC1 ZINC001227588723 1044302895 /nfs/dbraw/zinc/30/28/95/1044302895.db2.gz URTCIJZVXYJWBF-WAAGHKOSSA-N -1 3 303.171 4.251 20 0 DIADHM O=c1cc(CSCc2ccc3ccccc3n2)nc(C2CC2)[n-]1 ZINC000563694531 1044303457 /nfs/dbraw/zinc/30/34/57/1044303457.db2.gz RWSBARVDWKIHMK-UHFFFAOYSA-N -1 3 323.421 4.041 20 0 DIADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001137191141 1044315111 /nfs/dbraw/zinc/31/51/11/1044315111.db2.gz DBOOUBYGBRYKMW-SUMWQHHRSA-N -1 3 311.425 4.490 20 0 DIADHM CC[C@]1(C)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000564463075 1044384055 /nfs/dbraw/zinc/38/40/55/1044384055.db2.gz QEMQHLWZHIAHCY-UKRRQHHQSA-N -1 3 316.228 4.241 20 0 DIADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ccccc2SC)s1 ZINC000361518413 1044415397 /nfs/dbraw/zinc/41/53/97/1044415397.db2.gz HIJBNDZVZBWDFO-SNVBAGLBSA-N -1 3 322.455 4.215 20 0 DIADHM Cc1ccc([O-])c(CN(CCC(F)(F)F)Cc2ccccc2)n1 ZINC000361642300 1044428007 /nfs/dbraw/zinc/42/80/07/1044428007.db2.gz IOIWDZALKKDVTL-UHFFFAOYSA-N -1 3 324.346 4.050 20 0 DIADHM CCCN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000384383041 1044449000 /nfs/dbraw/zinc/44/90/00/1044449000.db2.gz KVRMHJOEEPKSCC-UHFFFAOYSA-N -1 3 303.789 4.098 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)cc2ccoc21 ZINC001126616588 1044551536 /nfs/dbraw/zinc/55/15/36/1044551536.db2.gz SYSPCVFOUGGZEG-UHFFFAOYSA-N -1 3 309.218 4.242 20 0 DIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCCC12CCC2 ZINC000444618158 1044576866 /nfs/dbraw/zinc/57/68/66/1044576866.db2.gz IWGZRBOGRHJTRT-UHFFFAOYSA-N -1 3 321.420 4.142 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000568062714 1044600379 /nfs/dbraw/zinc/60/03/79/1044600379.db2.gz MOQNEEZCQTWYCG-ZANVPECISA-N -1 3 316.228 4.240 20 0 DIADHM CC(C)CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000523463649 1044642410 /nfs/dbraw/zinc/64/24/10/1044642410.db2.gz XOKKWEIFEKPQHO-UHFFFAOYSA-N -1 3 322.424 4.032 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2scnc2C2CC2)CC)n1 ZINC000569068797 1044672067 /nfs/dbraw/zinc/67/20/67/1044672067.db2.gz JWCXIYJTGBSGJK-DHZHZOJOSA-N -1 3 315.442 4.419 20 0 DIADHM Cc1ccc(-c2nc(C(C)(C)c3cccc(F)c3)no2)c([O-])c1 ZINC000445622105 1044776730 /nfs/dbraw/zinc/77/67/30/1044776730.db2.gz ZHJUYSQZQGSTMV-UHFFFAOYSA-N -1 3 312.344 4.216 20 0 DIADHM [O-]c1cccnc1CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000572563092 1044863342 /nfs/dbraw/zinc/86/33/42/1044863342.db2.gz OWBWSGSLFXHOPN-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM CC(=O)c1cccc(NC(=O)CC[C@H](C)c2ccccc2)c1[O-] ZINC000573373726 1044904922 /nfs/dbraw/zinc/90/49/22/1044904922.db2.gz IQOPUDFLWZIWOM-ZDUSSCGKSA-N -1 3 311.381 4.117 20 0 DIADHM CCc1noc(C)c1[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000574019129 1044935861 /nfs/dbraw/zinc/93/58/61/1044935861.db2.gz BDROPMLKAWCHPB-UHFFFAOYSA-N -1 3 319.430 4.302 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cncc(-c2ccccc2)c1 ZINC000577544322 1045135962 /nfs/dbraw/zinc/13/59/62/1045135962.db2.gz LOLNYWIMRIONER-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000577618726 1045142896 /nfs/dbraw/zinc/14/28/96/1045142896.db2.gz RHAMBIXSOTYMOT-DRCTWCGVSA-N -1 3 316.228 4.240 20 0 DIADHM CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000577957873 1045193850 /nfs/dbraw/zinc/19/38/50/1045193850.db2.gz LGMDMIXGZCAPOR-UHFFFAOYSA-N -1 3 317.816 4.103 20 0 DIADHM CCC(CC)c1cc(CN[C@@H](C)c2cc([O-])cc(F)c2)on1 ZINC000925159037 1045230672 /nfs/dbraw/zinc/23/06/72/1045230672.db2.gz WKEPWFZNRBEOFJ-NSHDSACASA-N -1 3 306.381 4.274 20 0 DIADHM Cc1sc(CC(=O)Nc2c([O-])cccc2Cl)nc1C(C)C ZINC000578403732 1045241207 /nfs/dbraw/zinc/24/12/07/1045241207.db2.gz RUUBDFIMMKALHM-UHFFFAOYSA-N -1 3 324.833 4.115 20 0 DIADHM C[C@@H](NCc1ncccc1[O-])c1ccccc1Oc1ccccc1 ZINC000578579421 1045256131 /nfs/dbraw/zinc/25/61/31/1045256131.db2.gz XCTCIMXZHCCQPT-OAHLLOKOSA-N -1 3 320.392 4.430 20 0 DIADHM Cc1cc(C)cc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000426741215 1045256497 /nfs/dbraw/zinc/25/64/97/1045256497.db2.gz DRZCIVMPQBVOIY-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCc3cc(Cl)ccc32)c1Cl ZINC000527795039 1045264153 /nfs/dbraw/zinc/26/41/53/1045264153.db2.gz DAZNHFKDKSMTLD-CQSZACIVSA-N -1 3 308.208 4.476 20 0 DIADHM C[C@@H]1CCc2c(C(=O)Nc3c([O-])cccc3Cl)csc2C1 ZINC000578733717 1045268856 /nfs/dbraw/zinc/26/88/56/1045268856.db2.gz ZDHNLQTWBMCZDV-SECBINFHSA-N -1 3 321.829 4.484 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3OC3CCC3)no2)c([O-])c1 ZINC000528257714 1045327820 /nfs/dbraw/zinc/32/78/20/1045327820.db2.gz JHSMAOMUUXOWLJ-UHFFFAOYSA-N -1 3 322.364 4.349 20 0 DIADHM CCc1ccc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)c([O-])c1 ZINC000528263943 1045328664 /nfs/dbraw/zinc/32/86/64/1045328664.db2.gz SZASMHDNRRYOAY-UHFFFAOYSA-N -1 3 323.396 4.034 20 0 DIADHM [O-]c1cccc(CNCc2cc(C3CC3)ccc2F)c1Cl ZINC000449373851 1045384225 /nfs/dbraw/zinc/38/42/25/1045384225.db2.gz UXVCKNAZKBZNIK-UHFFFAOYSA-N -1 3 305.780 4.352 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(C(C)C)n1 ZINC000450399950 1045500357 /nfs/dbraw/zinc/50/03/57/1045500357.db2.gz FDUPFYBOXCWWOI-UHFFFAOYSA-N -1 3 304.777 4.125 20 0 DIADHM [O-]c1ccc(Cl)c(F)c1CNCc1ccccc1Cl ZINC000190667830 1045597917 /nfs/dbraw/zinc/59/79/17/1045597917.db2.gz YBKRTJXQUJPMLL-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM CC[C@](C)(NCc1c([O-])ccc(Cl)c1F)c1nccs1 ZINC000191157297 1045661622 /nfs/dbraw/zinc/66/16/22/1045661622.db2.gz NBHLRDZJBJYYRM-AWEZNQCLSA-N -1 3 314.813 4.056 20 0 DIADHM C[C@@H](CC1CCCCC1)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000901623656 1045779338 /nfs/dbraw/zinc/77/93/38/1045779338.db2.gz SXOXTMMDRMTJCN-KXBFYZLASA-N -1 3 315.457 4.277 20 0 DIADHM Cc1c([O-])ccc2c(CSc3cccc(F)c3)cc(=O)oc12 ZINC000753796381 1045804784 /nfs/dbraw/zinc/80/47/84/1045804784.db2.gz XMEAMWDUMLSAIR-UHFFFAOYSA-N -1 3 316.353 4.238 20 0 DIADHM C[C@@H](NC(=S)Nc1ccc(Cl)cc1[O-])c1cccs1 ZINC000753900905 1045815150 /nfs/dbraw/zinc/81/51/50/1045815150.db2.gz BRMKHIYSGWWRCS-MRVPVSSYSA-N -1 3 312.847 4.155 20 0 DIADHM C[C@H](NC(=S)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000753901020 1045815540 /nfs/dbraw/zinc/81/55/40/1045815540.db2.gz FOGJSODWFJISTL-JTQLQIEISA-N -1 3 306.818 4.093 20 0 DIADHM C[C@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)CC1CCCCC1 ZINC000901907362 1045869652 /nfs/dbraw/zinc/86/96/52/1045869652.db2.gz FWXWCZPZSBXDES-RYUDHWBXSA-N -1 3 310.463 4.098 20 0 DIADHM CCCN(CCC(C)(C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000902131547 1045921648 /nfs/dbraw/zinc/92/16/48/1045921648.db2.gz JBQQGRCBYNEPNF-UHFFFAOYSA-N -1 3 315.816 4.192 20 0 DIADHM O=C([O-])c1occc1CNC1(c2ccc(Cl)cc2)CCCC1 ZINC000902210881 1045942334 /nfs/dbraw/zinc/94/23/34/1045942334.db2.gz KQACZWUOCDPAPA-UHFFFAOYSA-N -1 3 319.788 4.190 20 0 DIADHM O=C([O-])/C=C\c1ccc(CN[C@@H](c2ccccc2)C2CCC2)o1 ZINC000902223546 1045949510 /nfs/dbraw/zinc/94/95/10/1045949510.db2.gz CSMWERMPUIVVMJ-JZHDPFOFSA-N -1 3 311.381 4.008 20 0 DIADHM CCc1oc(CN[C@@H](c2ccccc2)C2CCC2)cc1C(=O)[O-] ZINC000902223760 1045950669 /nfs/dbraw/zinc/95/06/69/1045950669.db2.gz DEAKUFZCNMPZSU-SFHVURJKSA-N -1 3 313.397 4.171 20 0 DIADHM Cc1ccccc1[C@@H](NCc1ccoc1C(=O)[O-])C(C)(C)C ZINC000902328822 1045976959 /nfs/dbraw/zinc/97/69/59/1045976959.db2.gz GHVFEAHDNCJFAP-MRXNPFEDSA-N -1 3 301.386 4.163 20 0 DIADHM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@H]2C[C@]2(F)c2ccccc2)C1 ZINC000902340433 1045980369 /nfs/dbraw/zinc/98/03/69/1045980369.db2.gz HMABTDRPNBVQRS-XPYUAMARSA-N -1 3 319.420 4.027 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2sccc2nc1Cl ZINC001138016441 1046055979 /nfs/dbraw/zinc/05/59/79/1046055979.db2.gz NASIYOKCGSGKAT-UHFFFAOYSA-N -1 3 322.748 4.047 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1[nH]ccc1-c1ccccc1 ZINC001138015298 1046058016 /nfs/dbraw/zinc/05/80/16/1046058016.db2.gz ZVSRXDHFCGTFJI-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349955881 1046227715 /nfs/dbraw/zinc/22/77/15/1046227715.db2.gz UDLYRJGYNHUIOW-GOSISDBHSA-N -1 3 320.392 4.164 20 0 DIADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349955882 1046227742 /nfs/dbraw/zinc/22/77/42/1046227742.db2.gz UDLYRJGYNHUIOW-SFHVURJKSA-N -1 3 320.392 4.164 20 0 DIADHM O=C(CCCCCc1ccc(F)cc1)[N-]OC1CCCCC1 ZINC001138634061 1046252661 /nfs/dbraw/zinc/25/26/61/1046252661.db2.gz SAFHKFKIUVFWDT-UHFFFAOYSA-N -1 3 307.409 4.309 20 0 DIADHM CSc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])s1 ZINC000903685962 1046301314 /nfs/dbraw/zinc/30/13/14/1046301314.db2.gz AIVZWZWBLSCPGB-SNVBAGLBSA-N -1 3 307.440 4.019 20 0 DIADHM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000903678983 1046301405 /nfs/dbraw/zinc/30/14/05/1046301405.db2.gz UPTKGEDPBWPDMP-VIFPVBQESA-N -1 3 315.847 4.402 20 0 DIADHM C[C@H]1CCC[C@H](C)N(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903894262 1046336525 /nfs/dbraw/zinc/33/65/25/1046336525.db2.gz RUCHSAUJAOBEAI-UWVGGRQHSA-N -1 3 319.323 4.007 20 0 DIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830852 1046397989 /nfs/dbraw/zinc/39/79/89/1046397989.db2.gz XHXSQMUDDQBSBP-BMIGLBTASA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830334 1046398604 /nfs/dbraw/zinc/39/86/04/1046398604.db2.gz NKQYMSAGJXRWHF-BONVTDFDSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830325 1046399015 /nfs/dbraw/zinc/39/90/15/1046399015.db2.gz NKQYMSAGJXRWHF-BMIGLBTASA-N -1 3 316.228 4.241 20 0 DIADHM CCOc1ccc(NC(=O)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001202907421 1046411402 /nfs/dbraw/zinc/41/14/02/1046411402.db2.gz WTYGWKLJNCQXAF-UHFFFAOYSA-N -1 3 320.776 4.397 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccs2)c1 ZINC000666625707 1046414025 /nfs/dbraw/zinc/41/40/25/1046414025.db2.gz DINZOGMANKKDNY-JTQLQIEISA-N -1 3 307.440 4.009 20 0 DIADHM CCC[C@H](C)[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096513 1046417258 /nfs/dbraw/zinc/41/72/58/1046417258.db2.gz DYXDALKRUZIFCF-JOYOIKCWSA-N -1 3 317.223 4.454 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccccc2Nc2ccccc2)n1 ZINC001139457850 1046453036 /nfs/dbraw/zinc/45/30/36/1046453036.db2.gz ZGUMDVKDDNCSSE-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000677212253 1046474199 /nfs/dbraw/zinc/47/41/99/1046474199.db2.gz RNIWXWROUISBRY-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212828 1046474545 /nfs/dbraw/zinc/47/45/45/1046474545.db2.gz UGJPXYYVPQMNEB-UHFFFAOYSA-N -1 3 324.833 4.261 20 0 DIADHM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000677212069 1046474743 /nfs/dbraw/zinc/47/47/43/1046474743.db2.gz JTLOBIOMCWPHEJ-LBPRGKRZSA-N -1 3 301.773 4.104 20 0 DIADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211624 1046474900 /nfs/dbraw/zinc/47/49/00/1046474900.db2.gz DBYHJADCLNUXDF-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCc2sccc21 ZINC000677211924 1046475165 /nfs/dbraw/zinc/47/51/65/1046475165.db2.gz LQBZVXSCXACKBN-LLVKDONJSA-N -1 3 307.802 4.166 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCc2sccc21 ZINC000677211925 1046475367 /nfs/dbraw/zinc/47/53/67/1046475367.db2.gz LQBZVXSCXACKBN-NSHDSACASA-N -1 3 307.802 4.166 20 0 DIADHM Cc1cc(C)c(NC(=O)[N-]c2cc(C(F)(F)F)no2)c(C)c1 ZINC001202949963 1046476488 /nfs/dbraw/zinc/47/64/88/1046476488.db2.gz KYJFXENSXZXADD-UHFFFAOYSA-N -1 3 313.279 4.263 20 0 DIADHM Cc1ccc(C2(CNC(=O)c3c(C)cccc3[O-])CCC2)cc1C ZINC001139641603 1046492995 /nfs/dbraw/zinc/49/29/95/1046492995.db2.gz BPIHIXMHDQDXQV-UHFFFAOYSA-N -1 3 323.436 4.169 20 0 DIADHM Cc1nc(Cl)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001139651401 1046494254 /nfs/dbraw/zinc/49/42/54/1046494254.db2.gz BQMCEULGEAUSIP-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM CCCCN(C(=O)c1ccccc1[O-])[C@H](C)c1ccc(C)o1 ZINC000642077299 1046558364 /nfs/dbraw/zinc/55/83/64/1046558364.db2.gz AHZHRFDYGGCLSX-CQSZACIVSA-N -1 3 301.386 4.297 20 0 DIADHM Cc1cccc(C)c1CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001137326676 1046592379 /nfs/dbraw/zinc/59/23/79/1046592379.db2.gz RFTMDPGIOMWNRU-UHFFFAOYSA-N -1 3 311.425 4.105 20 0 DIADHM Cc1cc(=O)[n-]c(CSCCCSCc2ccccc2)n1 ZINC000783456467 1046595932 /nfs/dbraw/zinc/59/59/32/1046595932.db2.gz GTNCFDXMMULLCA-UHFFFAOYSA-N -1 3 320.483 4.047 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2cccc3ccccc32)c1 ZINC000678309866 1046618207 /nfs/dbraw/zinc/61/82/07/1046618207.db2.gz WKMUXYGFICHRIN-UHFFFAOYSA-N -1 3 305.377 4.384 20 0 DIADHM O=C([O-])c1ccccc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001140506536 1046759066 /nfs/dbraw/zinc/75/90/66/1046759066.db2.gz RFAKZSCYHBPWHU-KRWDZBQOSA-N -1 3 315.800 4.375 20 0 DIADHM [O-]c1ccc(Nc2nc(C(F)(F)F)ccc2Cl)c(F)c1F ZINC001212005579 1046811508 /nfs/dbraw/zinc/81/15/08/1046811508.db2.gz OLPINDXHRIXNEW-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(Nc2c(O)cccc2C(F)(F)F)c(F)c1F ZINC001212013620 1046817092 /nfs/dbraw/zinc/81/70/92/1046817092.db2.gz APVSDSJPLRSYST-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM [O-]c1ccc(Nc2cccc(OC(F)(F)F)c2F)c(F)c1F ZINC001212011165 1046819370 /nfs/dbraw/zinc/81/93/70/1046819370.db2.gz VYFYPQVOULGWDZ-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM COc1c(Nc2ccc([O-])c(F)c2F)cccc1C(F)(F)F ZINC001212011159 1046820223 /nfs/dbraw/zinc/82/02/23/1046820223.db2.gz VRXUCLJDULKIOW-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1ccc(Nc2cc(OC(F)(F)F)ccc2O)c(F)c1F ZINC001212016538 1046824846 /nfs/dbraw/zinc/82/48/46/1046824846.db2.gz VAQYNBATIYCSSK-UHFFFAOYSA-N -1 3 321.201 4.018 20 0 DIADHM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc([O-])c1Cl ZINC000646156441 1046869237 /nfs/dbraw/zinc/86/92/37/1046869237.db2.gz UQLYVOSSLURSIU-KOLCDFICSA-N -1 3 307.743 4.208 20 0 DIADHM C/C=C/C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000629375562 1046874012 /nfs/dbraw/zinc/87/40/12/1046874012.db2.gz ITLLRHRBKSZHIO-IBUXWKBASA-N -1 3 307.821 4.216 20 0 DIADHM CCOc1cc(/C=C/C(=O)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000008322451 1046881381 /nfs/dbraw/zinc/88/13/81/1046881381.db2.gz ICEIIBIADINOSR-VOTSOKGWSA-N -1 3 318.756 4.046 20 0 DIADHM Cc1ccc(F)c(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000646625266 1046915226 /nfs/dbraw/zinc/91/52/26/1046915226.db2.gz MBHNIISXEFWIIK-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM C/C=C\CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000255422898 1046925717 /nfs/dbraw/zinc/92/57/17/1046925717.db2.gz XDILZTSWXXFDNN-IHWYPQMZSA-N -1 3 318.423 4.466 20 0 DIADHM [O-]c1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)c(F)c1F ZINC001140893170 1046943683 /nfs/dbraw/zinc/94/36/83/1046943683.db2.gz JTWBRLWTIFPOOT-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)Cc1ccc([O-])c(F)c1F ZINC001140893624 1046944452 /nfs/dbraw/zinc/94/44/52/1046944452.db2.gz VXSPLXXASHMAJW-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM O=C(OCCCCC1CCOCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000798587780 1046962930 /nfs/dbraw/zinc/96/29/30/1046962930.db2.gz CGHXUELUXPGOMD-UHFFFAOYSA-N -1 3 320.216 4.075 20 0 DIADHM O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1[O-] ZINC001140986329 1046968230 /nfs/dbraw/zinc/96/82/30/1046968230.db2.gz BSACYACZMVPJMA-INIZCTEOSA-N -1 3 319.763 4.066 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)c1 ZINC001140987984 1046970562 /nfs/dbraw/zinc/97/05/62/1046970562.db2.gz JJXIICFURHZJCW-QGZVFWFLSA-N -1 3 303.352 4.316 20 0 DIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1C(C)C ZINC000647835330 1047019633 /nfs/dbraw/zinc/01/96/33/1047019633.db2.gz WSNIJFIAROQJSD-UHFFFAOYSA-N -1 3 306.793 4.297 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1C(F)(F)F ZINC000799891999 1047068242 /nfs/dbraw/zinc/06/82/42/1047068242.db2.gz KVKHRLPXBCRPAW-WFKFFMJQSA-N -1 3 306.287 4.318 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2cccs2)C(C)C)c1 ZINC000536689508 1047070752 /nfs/dbraw/zinc/07/07/52/1047070752.db2.gz WXFWRWCFAWWMPC-UHFFFAOYSA-N -1 3 303.427 4.067 20 0 DIADHM Cc1cc(C(F)F)oc1C(=O)Nc1c([O-])cccc1Cl ZINC001141469253 1047143223 /nfs/dbraw/zinc/14/32/23/1047143223.db2.gz NGAIYEOZDDBRPS-UHFFFAOYSA-N -1 3 301.676 4.137 20 0 DIADHM Cc1cccc2cc(C(=O)Nc3c([O-])cccc3Cl)oc21 ZINC001141469708 1047143766 /nfs/dbraw/zinc/14/37/66/1047143766.db2.gz ZQJLRKCFQGQNMR-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1[O-] ZINC001141528208 1047163032 /nfs/dbraw/zinc/16/30/32/1047163032.db2.gz QCEQRUUKIQYXAQ-HNNXBMFYSA-N -1 3 311.425 4.405 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC001141601427 1047216128 /nfs/dbraw/zinc/21/61/28/1047216128.db2.gz OLDNVYDEZSNLEF-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC(C)Oc1cccc([C@H](C)NCc2cc(C(=O)[O-])cs2)c1 ZINC000387912016 1047285548 /nfs/dbraw/zinc/28/55/48/1047285548.db2.gz NAPAMOOMXHBCSK-LBPRGKRZSA-N -1 3 319.426 4.084 20 0 DIADHM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001463026679 1047297350 /nfs/dbraw/zinc/29/73/50/1047297350.db2.gz SDXRJGLKBSVUAB-WDEREUQCSA-N -1 3 321.895 4.039 20 0 DIADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001463241779 1047299276 /nfs/dbraw/zinc/29/92/76/1047299276.db2.gz TXCKKWKVXWCLGA-NSHDSACASA-N -1 3 321.845 4.116 20 0 DIADHM Cc1nc([N-]C(=O)c2cc(Cl)no2)sc1-c1ccccc1 ZINC001141875990 1047303228 /nfs/dbraw/zinc/30/32/28/1047303228.db2.gz PMEQPCDJCPSUNE-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC(C)n1ncc2c1[C@@H](N[C@H](C)c1cccc([O-])c1F)CCC2 ZINC001119002342 1047320850 /nfs/dbraw/zinc/32/08/50/1047320850.db2.gz MIHRQELCIKTHFG-DOMZBBRYSA-N -1 3 317.408 4.037 20 0 DIADHM CC(C)n1cc2c(n1)[C@H](N[C@H](C)c1cccc([O-])c1F)CCC2 ZINC001119067024 1047322524 /nfs/dbraw/zinc/32/25/24/1047322524.db2.gz ZKIAAASWEBXLIC-IUODEOHRSA-N -1 3 317.408 4.037 20 0 DIADHM CN(CCc1cccs1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114174 1047382484 /nfs/dbraw/zinc/38/24/84/1047382484.db2.gz ATSJBGBWEUDOHT-UHFFFAOYSA-N -1 3 316.253 4.435 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001142114995 1047382808 /nfs/dbraw/zinc/38/28/08/1047382808.db2.gz SJWWGKGHXYPCHE-SSDOTTSWSA-N -1 3 314.134 4.083 20 0 DIADHM CN(Cc1ccsc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114567 1047383080 /nfs/dbraw/zinc/38/30/80/1047383080.db2.gz JOEKJMOLGSYKAJ-UHFFFAOYSA-N -1 3 302.226 4.393 20 0 DIADHM O=C([O-])CCCCCCNCc1cc(Cl)sc1Cl ZINC000840995361 1047367192 /nfs/dbraw/zinc/36/71/92/1047367192.db2.gz JQEBJHIJXXDOAQ-UHFFFAOYSA-N -1 3 310.246 4.180 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@@H](C(F)F)C2)c(Cl)c1 ZINC001142114417 1047382209 /nfs/dbraw/zinc/38/22/09/1047382209.db2.gz HRHNWXKDBHHSKW-MRVPVSSYSA-N -1 3 310.171 4.176 20 0 DIADHM CC(C)OC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142115003 1047382739 /nfs/dbraw/zinc/38/27/39/1047382739.db2.gz SUFFQDWFJZPLET-UHFFFAOYSA-N -1 3 318.244 4.088 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC[C@@H](c3ccccn3)C2)c(Cl)c1 ZINC001142114259 1047383058 /nfs/dbraw/zinc/38/30/58/1047383058.db2.gz DGCKTZSUUXMSEB-LLVKDONJSA-N -1 3 323.223 4.084 20 0 DIADHM [O-]c1cc(Cl)c(CN(Cc2ccco2)C2CC2)c(Cl)c1 ZINC001142118418 1047384023 /nfs/dbraw/zinc/38/40/23/1047384023.db2.gz KRRQTGUGBZBFDU-UHFFFAOYSA-N -1 3 312.196 4.457 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001142303296 1047426810 /nfs/dbraw/zinc/42/68/10/1047426810.db2.gz FQKPHXBRJOGMOS-SNVBAGLBSA-N -1 3 317.435 4.468 20 0 DIADHM CCN(Cc1occc1C)C(=O)c1cc([O-])c2ccccc2c1 ZINC001142394255 1047440845 /nfs/dbraw/zinc/44/08/45/1047440845.db2.gz OWZQAQSOWBXDRS-UHFFFAOYSA-N -1 3 309.365 4.109 20 0 DIADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@H]1CC1(C)C ZINC001142506373 1047463854 /nfs/dbraw/zinc/46/38/54/1047463854.db2.gz PTCCCHQJIMIONB-QWHCGFSZSA-N -1 3 303.427 4.161 20 0 DIADHM Cc1ccccc1C[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001142865908 1047506223 /nfs/dbraw/zinc/50/62/23/1047506223.db2.gz COPGVNLJRITDFB-HNNXBMFYSA-N -1 3 319.404 4.215 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[O-] ZINC001142962706 1047519776 /nfs/dbraw/zinc/51/97/76/1047519776.db2.gz BNBRNDYBEJHNRD-DOTOQJQBSA-N -1 3 315.457 4.243 20 0 DIADHM CCC(CC)(NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001143101871 1047530718 /nfs/dbraw/zinc/53/07/18/1047530718.db2.gz ZNGTXRGXCPIIKC-UHFFFAOYSA-N -1 3 317.816 4.491 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000537639642 1047536873 /nfs/dbraw/zinc/53/68/73/1047536873.db2.gz BPLHKOSJVAWGPK-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(-c3ncco3)ccc2C)c1 ZINC000537662633 1047573448 /nfs/dbraw/zinc/57/34/48/1047573448.db2.gz CLHXHYBJORZTFM-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CCC[C@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC001150365778 1047577010 /nfs/dbraw/zinc/57/70/10/1047577010.db2.gz DXUBMEJFZSGRGA-OAHLLOKOSA-N -1 3 307.409 4.144 20 0 DIADHM Cc1cc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)o1 ZINC000237455394 1047592879 /nfs/dbraw/zinc/59/28/79/1047592879.db2.gz HWTCGQXEDXTYNQ-SECBINFHSA-N -1 3 324.764 4.014 20 0 DIADHM Cc1cccc([C@H](C)NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001152122744 1047607888 /nfs/dbraw/zinc/60/78/88/1047607888.db2.gz LVTCPOYXSQAQDX-LBPRGKRZSA-N -1 3 311.406 4.406 20 0 DIADHM COc1ccc2cc(C(=O)Nc3ccc(F)c([O-])c3)sc2c1 ZINC001153937403 1047635707 /nfs/dbraw/zinc/63/57/07/1047635707.db2.gz FWLKTXVWCUACGN-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM CC(C)(C)c1ccc(CCC(=O)[N-]Oc2ccccc2F)cc1 ZINC001154215986 1047643448 /nfs/dbraw/zinc/64/34/48/1047643448.db2.gz QXQRJHLAHVSSCJ-UHFFFAOYSA-N -1 3 315.388 4.166 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(-c3ocnc3C)cc2)c1[O-] ZINC001156053338 1047698352 /nfs/dbraw/zinc/69/83/52/1047698352.db2.gz RNFDOUIDKZNSJS-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM C[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000566357607 1047716319 /nfs/dbraw/zinc/71/63/19/1047716319.db2.gz FBEJJZWPSKFOIR-YGRLFVJLSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1csc2cnc([N-][C@H](c3ccccn3)C(F)(F)F)nc12 ZINC001157684514 1047749220 /nfs/dbraw/zinc/74/92/20/1047749220.db2.gz OOTNNUGPQBSWEP-GFCCVEGCSA-N -1 3 324.331 4.110 20 0 DIADHM [O-]c1cccnc1CNc1cc(SCc2ccccc2)ccn1 ZINC001158774166 1047798113 /nfs/dbraw/zinc/79/81/13/1047798113.db2.gz KTZMCRADMOTHSH-UHFFFAOYSA-N -1 3 323.421 4.087 20 0 DIADHM O=C(CCCCc1ccc(Cl)c(Cl)c1)[N-]OCC1CC1 ZINC001159405204 1047841163 /nfs/dbraw/zinc/84/11/63/1047841163.db2.gz JUVREHMFKTUZMM-UHFFFAOYSA-N -1 3 316.228 4.164 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c([O-])c1 ZINC001182785533 1047844387 /nfs/dbraw/zinc/84/43/87/1047844387.db2.gz FIHCAZILBFKLJE-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001159551648 1047867626 /nfs/dbraw/zinc/86/76/26/1047867626.db2.gz OJZXVCKEGKNJKU-BDAKNGLRSA-N -1 3 314.223 4.084 20 0 DIADHM Cc1ccccc1NC(=S)Nc1nc2c(cccc2[O-])s1 ZINC001198390272 1047949809 /nfs/dbraw/zinc/94/98/09/1047949809.db2.gz PIBSOFAJYCICQT-UHFFFAOYSA-N -1 3 315.423 4.119 20 0 DIADHM Cc1cccc(NC(=S)Nc2nc3c(cccc3[O-])s2)c1 ZINC001198643539 1047989494 /nfs/dbraw/zinc/98/94/94/1047989494.db2.gz XCOGIKQKPDZLBQ-UHFFFAOYSA-N -1 3 315.423 4.119 20 0 DIADHM Cc1nnc([N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC001174853333 1048000893 /nfs/dbraw/zinc/00/08/93/1048000893.db2.gz RINSCXMRJMDEAW-UHFFFAOYSA-N -1 3 311.185 4.159 20 0 DIADHM Nc1ccc(Br)cc1Nc1ccc(Cl)c([O-])c1 ZINC001160278484 1048016285 /nfs/dbraw/zinc/01/62/85/1048016285.db2.gz MHFOREWDOQLOPO-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM CC[C@H](CC1CCCC1)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160312339 1048029623 /nfs/dbraw/zinc/02/96/23/1048029623.db2.gz BHEIXKXEGQRESO-CQSZACIVSA-N -1 3 303.402 4.140 20 0 DIADHM CC1(C)CCN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC001160340057 1048035753 /nfs/dbraw/zinc/03/57/53/1048035753.db2.gz SJDRQAUVFYZZSM-UHFFFAOYSA-N -1 3 315.800 4.374 20 0 DIADHM O=c1ccoc2ccc(Nc3cccc(C(F)(F)F)c3[O-])cc12 ZINC001174946859 1048045063 /nfs/dbraw/zinc/04/50/63/1048045063.db2.gz YAHDBVSKYKQNMW-UHFFFAOYSA-N -1 3 321.254 4.261 20 0 DIADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001184523817 1048047697 /nfs/dbraw/zinc/04/76/97/1048047697.db2.gz KBKAKBKDNKNFNI-JTQLQIEISA-N -1 3 324.273 4.096 20 0 DIADHM CCc1ccc([O-])c(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC001160496798 1048060699 /nfs/dbraw/zinc/06/06/99/1048060699.db2.gz WYRKGWIRVOCHSF-LJQANCHMSA-N -1 3 321.376 4.067 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Br)ccc1C ZINC001175017501 1048074702 /nfs/dbraw/zinc/07/47/02/1048074702.db2.gz QTVRPOWOCOMYJD-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1coc(C2CCCCC2)n1 ZINC000554361979 1048080663 /nfs/dbraw/zinc/08/06/63/1048080663.db2.gz CDPPYKMXMQIHBW-UHFFFAOYSA-N -1 3 324.302 4.392 20 0 DIADHM CC(C)c1occc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000480208802 1048091793 /nfs/dbraw/zinc/09/17/93/1048091793.db2.gz KLJGBPHZPUDZOD-UHFFFAOYSA-N -1 3 324.174 4.123 20 0 DIADHM Fc1ccc(F)c([N-]c2cc(Cc3ccccc3)no2)c1F ZINC001175026945 1048094892 /nfs/dbraw/zinc/09/48/92/1048094892.db2.gz XPJDHDOPQLIPPL-UHFFFAOYSA-N -1 3 304.271 4.426 20 0 DIADHM CCOc1ccc(F)c(Nc2cc([O-])c(F)cc2F)c1F ZINC001175037743 1048102091 /nfs/dbraw/zinc/10/20/91/1048102091.db2.gz LJNCJTPGOGOTTB-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cc1cn(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2F)cn1 ZINC001175099534 1048114635 /nfs/dbraw/zinc/11/46/35/1048114635.db2.gz LOMYAFIBSCXCHT-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1OC(F)F ZINC001175100291 1048116162 /nfs/dbraw/zinc/11/61/62/1048116162.db2.gz YNXQHJPFEKRMFC-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM CC(C)Oc1c(F)cc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175102300 1048118095 /nfs/dbraw/zinc/11/80/95/1048118095.db2.gz HFMPSJKJROJVLZ-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc3ncnc(Cl)c3c2)c(F)c1 ZINC001175102533 1048118127 /nfs/dbraw/zinc/11/81/27/1048118127.db2.gz OAQFFMRUFPMSTC-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1ccc(F)c(F)c1 ZINC001185061044 1048118647 /nfs/dbraw/zinc/11/86/47/1048118647.db2.gz VSZDMVGIXHOXPS-UHFFFAOYSA-N -1 3 321.308 4.325 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001161356941 1048125418 /nfs/dbraw/zinc/12/54/18/1048125418.db2.gz HNEHTJZFQXGULU-PKOBYXMFSA-N -1 3 323.436 4.363 20 0 DIADHM COc1ccc(F)c([N-]c2cc(-c3ccccc3O)no2)c1F ZINC001175120576 1048151842 /nfs/dbraw/zinc/15/18/42/1048151842.db2.gz JVEWVAMNRZEUDN-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM CCCCCCNC(=S)Nc1c([O-])cccc1C(F)(F)F ZINC001200956905 1048171817 /nfs/dbraw/zinc/17/18/17/1048171817.db2.gz JYDNNUWLCHZPEG-UHFFFAOYSA-N -1 3 320.380 4.278 20 0 DIADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccccc1C(F)(F)F ZINC000774875234 1048178092 /nfs/dbraw/zinc/17/80/92/1048178092.db2.gz MDAMCEVMJSOGCB-NSHDSACASA-N -1 3 315.335 4.189 20 0 DIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OC1CCCC1 ZINC000774874976 1048178245 /nfs/dbraw/zinc/17/82/45/1048178245.db2.gz JPUWBAMQDREMKZ-UHFFFAOYSA-N -1 3 316.228 4.307 20 0 DIADHM CC[C@@H](C)c1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC001162020696 1048215562 /nfs/dbraw/zinc/21/55/62/1048215562.db2.gz NDPHOBLRGVMAEE-DYVFJYSZSA-N -1 3 323.444 4.049 20 0 DIADHM CCc1ccc([C@H](C)CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC001175284114 1048230695 /nfs/dbraw/zinc/23/06/95/1048230695.db2.gz BUWRQWKLQGUXCO-GFCCVEGCSA-N -1 3 317.351 4.133 20 0 DIADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(-c2cccc(C)c2)n1 ZINC001175262884 1048243831 /nfs/dbraw/zinc/24/38/31/1048243831.db2.gz BAAJNCQDVJNNQP-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM Cc1nc(C(F)(F)F)ccc1Nc1c(F)ccc([O-])c1F ZINC001175263335 1048244871 /nfs/dbraw/zinc/24/48/71/1048244871.db2.gz SNOHSIDVWNYLKO-UHFFFAOYSA-N -1 3 304.218 4.136 20 0 DIADHM CCOc1ccc(Nc2c(F)ccc([O-])c2F)cc1OCC ZINC001175268138 1048245295 /nfs/dbraw/zinc/24/52/95/1048245295.db2.gz LHTLHRMTFDTYFK-UHFFFAOYSA-N -1 3 309.312 4.211 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(N3CCCCC3)cc2)c1F ZINC001175268209 1048245437 /nfs/dbraw/zinc/24/54/37/1048245437.db2.gz KDHBSEZSLSWSBK-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(F)c(OC(F)(F)F)c2)c1F ZINC001175267776 1048245841 /nfs/dbraw/zinc/24/58/41/1048245841.db2.gz GBXXLHVIEQENNL-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(F)ccc2OC(F)(F)F)c1F ZINC001175268813 1048246515 /nfs/dbraw/zinc/24/65/15/1048246515.db2.gz XJDRLGZCAZVFEC-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(C(F)(F)F)c2O)c1F ZINC001175271117 1048248915 /nfs/dbraw/zinc/24/89/15/1048248915.db2.gz SKXBEWFZZMRBAS-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])c(F)c1 ZINC001175327058 1048265015 /nfs/dbraw/zinc/26/50/15/1048265015.db2.gz DGPVQKOHGQHOCP-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CCOc1ncc(Cl)cc1[N-]c1nnc(C(C)(C)C)s1 ZINC001201504307 1048288847 /nfs/dbraw/zinc/28/88/47/1048288847.db2.gz FDUAZACPCQTGIV-UHFFFAOYSA-N -1 3 312.826 4.026 20 0 DIADHM [O-]c1cccc(Nc2c(F)c(F)c(F)c(F)c2F)c1Cl ZINC001175385262 1048293785 /nfs/dbraw/zinc/29/37/85/1048293785.db2.gz SIDQNZAGZPVNGA-UHFFFAOYSA-N -1 3 309.621 4.485 20 0 DIADHM c1csc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC001175432016 1048304349 /nfs/dbraw/zinc/30/43/49/1048304349.db2.gz PPJWSHXLJWFMSN-UHFFFAOYSA-N -1 3 319.393 4.339 20 0 DIADHM Fc1cc(Cl)cc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431513 1048305691 /nfs/dbraw/zinc/30/56/91/1048305691.db2.gz GPHGPEOXDFBXQS-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)N[C@@H]1CCCc2ccccc21 ZINC001186457565 1048309857 /nfs/dbraw/zinc/30/98/57/1048309857.db2.gz MHZISXCFFKOPEE-CQSZACIVSA-N -1 3 316.788 4.245 20 0 DIADHM O=C(NCC1CCCCC1)Nc1c([O-])cccc1C(F)(F)F ZINC001186883382 1048352710 /nfs/dbraw/zinc/35/27/10/1048352710.db2.gz PALSGVZQDARXPA-UHFFFAOYSA-N -1 3 316.323 4.113 20 0 DIADHM FCCn1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC001187053142 1048369461 /nfs/dbraw/zinc/36/94/61/1048369461.db2.gz XFEQTVRLDCDWSK-UHFFFAOYSA-N -1 3 315.135 4.044 20 0 DIADHM COc1cc(F)c(Nc2nc3c(cccc3[O-])s2)c(F)c1 ZINC001175721325 1048424291 /nfs/dbraw/zinc/42/42/91/1048424291.db2.gz LWMMSQLVPNTBOZ-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM O=C(Nc1ccc(F)c(Cl)c1)Nc1c([O-])cccc1Cl ZINC001187699588 1048429088 /nfs/dbraw/zinc/42/90/88/1048429088.db2.gz GPRNKXSITUMOMT-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC001202094243 1048449300 /nfs/dbraw/zinc/44/93/00/1048449300.db2.gz SVYOQJMKRRAAKL-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccccc1-c1cccnc1 ZINC001188042673 1048464056 /nfs/dbraw/zinc/46/40/56/1048464056.db2.gz YGCDKIWKRIZMQG-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CC(=O)OCc1cccc(C)c1Nc1cccc(Cl)c1[O-] ZINC001212771512 1048465592 /nfs/dbraw/zinc/46/55/92/1048465592.db2.gz VSMJONCPICOCAR-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM Fc1ccc2nc([N-]c3cnn(C4CCCCC4)c3)oc2c1 ZINC001175880263 1048469528 /nfs/dbraw/zinc/46/95/28/1048469528.db2.gz ZBLXKWVWLLSBIP-UHFFFAOYSA-N -1 3 300.337 4.412 20 0 DIADHM Cc1ccccc1NC(=O)Nc1c([O-])cccc1Br ZINC001202185718 1048474725 /nfs/dbraw/zinc/47/47/25/1048474725.db2.gz IHXMJUPWWJKXIK-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1ccc(F)cc1 ZINC001202346740 1048517795 /nfs/dbraw/zinc/51/77/95/1048517795.db2.gz LCSGNKKPRDKNQW-UHFFFAOYSA-N -1 3 303.318 4.186 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc2ccccc2c1 ZINC001188608770 1048525993 /nfs/dbraw/zinc/52/59/93/1048525993.db2.gz IQNBYUWQJRBLIL-UHFFFAOYSA-N -1 3 320.348 4.392 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(Cc1ccccn1)C1CCCCC1 ZINC001188647380 1048533693 /nfs/dbraw/zinc/53/36/93/1048533693.db2.gz SCPHBZOGQPVADU-UHFFFAOYSA-N -1 3 324.424 4.071 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2sc(Cl)nc2c1 ZINC001188648093 1048534236 /nfs/dbraw/zinc/53/42/36/1048534236.db2.gz BYHOPSJKTYYHKO-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC001188660284 1048536789 /nfs/dbraw/zinc/53/67/89/1048536789.db2.gz YEQBPXLSKLNBRN-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM Cc1ccc2ccc(F)c([N-]c3cc(-c4ccccn4)no3)c2n1 ZINC001176114298 1048570644 /nfs/dbraw/zinc/57/06/44/1048570644.db2.gz KOJOAEMEPQSUAY-UHFFFAOYSA-N -1 3 320.327 4.476 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3cc([O-])c(F)cc3F)c2n1 ZINC001176117611 1048573163 /nfs/dbraw/zinc/57/31/63/1048573163.db2.gz VTTAHZRQIMQRBA-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1CC1CCCC1 ZINC001164105084 1048582262 /nfs/dbraw/zinc/58/22/62/1048582262.db2.gz RDJUJYYIQLXEMV-ZDUSSCGKSA-N -1 3 307.821 4.231 20 0 DIADHM O=c1[n-]c(NCc2cnc3ccccc3c2)c(Cl)cc1Cl ZINC001164200363 1048604365 /nfs/dbraw/zinc/60/43/65/1048604365.db2.gz KUQHBXQGVSIIOB-UHFFFAOYSA-N -1 3 320.179 4.254 20 0 DIADHM O=c1ccn(-c2ccc(Nc3ccc4cc(O)ccc4c3)cc2)[n-]1 ZINC001176389098 1048655107 /nfs/dbraw/zinc/65/51/07/1048655107.db2.gz NAFYMZPAWBEVRI-UHFFFAOYSA-N -1 3 317.348 4.180 20 0 DIADHM O=C([O-])C1(c2ccc(Nc3ccnc(C4CCC4)c3)cc2)CC1 ZINC001176586724 1048716977 /nfs/dbraw/zinc/71/69/77/1048716977.db2.gz MKAICHIVUGILAD-UHFFFAOYSA-N -1 3 308.381 4.209 20 0 DIADHM Cn1cc(Nc2nc3c(cccc3[O-])s2)c(-c2ccccc2)n1 ZINC001176563566 1048727233 /nfs/dbraw/zinc/72/72/33/1048727233.db2.gz ZFCBSOFVTKHNEL-UHFFFAOYSA-N -1 3 322.393 4.146 20 0 DIADHM Cc1cccc(Cl)c1COC(=O)c1cccc(Cl)c1[O-] ZINC001273608467 1048789519 /nfs/dbraw/zinc/78/95/19/1048789519.db2.gz OINXXELINXUBJR-UHFFFAOYSA-N -1 3 311.164 4.364 20 0 DIADHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)Cc2ccccc21 ZINC001177104991 1048832539 /nfs/dbraw/zinc/83/25/39/1048832539.db2.gz GKOVNZJMLRDNQW-LBPRGKRZSA-N -1 3 323.417 4.366 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001191132009 1048875247 /nfs/dbraw/zinc/87/52/47/1048875247.db2.gz OZONPQKWRYWCRF-UHFFFAOYSA-N -1 3 319.792 4.382 20 0 DIADHM CCN(CC)Cc1cc(-c2csc(C(=O)[O-])c2)ccc1F ZINC001206303752 1048888981 /nfs/dbraw/zinc/88/89/81/1048888981.db2.gz SBTBZGLALITRBA-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CCC[C@@H](CN[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000904021123 1048945688 /nfs/dbraw/zinc/94/56/88/1048945688.db2.gz OMMQBTAFKMJLRY-OCCSQVGLSA-N -1 3 318.442 4.076 20 0 DIADHM CSc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000904045928 1048961334 /nfs/dbraw/zinc/96/13/34/1048961334.db2.gz RLYHZQHDSSRQLR-CQSZACIVSA-N -1 3 321.467 4.084 20 0 DIADHM Cc1noc(C(C)C)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001178274640 1049010333 /nfs/dbraw/zinc/01/03/33/1049010333.db2.gz WMCJJWCOYQEABV-UHFFFAOYSA-N -1 3 310.353 4.218 20 0 DIADHM CN(CC1CCCCC1)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322920 1049080064 /nfs/dbraw/zinc/08/00/64/1049080064.db2.gz SHEBTWNAXWRONK-UHFFFAOYSA-N -1 3 303.446 4.342 20 0 DIADHM Cc1cc(NC(=O)[N-]c2cc(-c3ccco3)no2)ccc1F ZINC001192357083 1049086362 /nfs/dbraw/zinc/08/63/62/1049086362.db2.gz VQINPZSNJFJFIZ-UHFFFAOYSA-N -1 3 301.277 4.026 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(F)ccc1OC ZINC000484934312 1049095778 /nfs/dbraw/zinc/09/57/78/1049095778.db2.gz JKRGHOXQXHEUQP-UHFFFAOYSA-N -1 3 323.364 4.338 20 0 DIADHM Cc1ccc(Oc2ccccc2C(=O)Nc2cncc([O-])c2)cc1 ZINC001193066552 1049170636 /nfs/dbraw/zinc/17/06/36/1049170636.db2.gz HYTYZNNRZCLJDY-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1cccc(Cl)c1 ZINC000195646887 1049243093 /nfs/dbraw/zinc/24/30/93/1049243093.db2.gz SNGMXONAXIOGBP-HNNXBMFYSA-N -1 3 301.773 4.023 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1F)c1scnc1C(F)(F)F ZINC000485745190 1049334861 /nfs/dbraw/zinc/33/48/61/1049334861.db2.gz XVMUYOZSGJFURH-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM COc1ccc2cnc(-c3ccc([O-])cc3C(F)(F)F)nc2c1 ZINC001205066569 1049359974 /nfs/dbraw/zinc/35/99/74/1049359974.db2.gz SAHAIJQNNBDBLJ-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM COc1cccc2cnc(-c3ccc([O-])cc3C(F)(F)F)nc21 ZINC001205073512 1049362111 /nfs/dbraw/zinc/36/21/11/1049362111.db2.gz PWGUKBRAPWJESO-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM COc1ccc(OC(=O)Nc2c([O-])ccc3ccccc32)cc1 ZINC001194535849 1049387513 /nfs/dbraw/zinc/38/75/13/1049387513.db2.gz ZZPFYGVRVORMRJ-UHFFFAOYSA-N -1 3 309.321 4.165 20 0 DIADHM Cc1ccc(-c2ncc(C=Cc3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000486173400 1049395772 /nfs/dbraw/zinc/39/57/72/1049395772.db2.gz 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/nfs/dbraw/zinc/63/94/09/1049639409.db2.gz RPMSHMIOGNUUGO-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM Cc1nc(-c2ccc([O-])cc2F)nc(C)c1Cc1ccccc1 ZINC001206044201 1049639570 /nfs/dbraw/zinc/63/95/70/1049639570.db2.gz FNYFRFRVBLWZJU-UHFFFAOYSA-N -1 3 308.356 4.196 20 0 DIADHM Cc1cnc(-c2ccc([O-])cc2F)nc1-c1c(F)cccc1F ZINC001206044442 1049639694 /nfs/dbraw/zinc/63/96/94/1049639694.db2.gz LMQUCCWWBRXGRQ-UHFFFAOYSA-N -1 3 316.282 4.242 20 0 DIADHM Cc1c[nH]c2ncc(Nc3cccc([O-])c3Br)cc12 ZINC001206063758 1049645619 /nfs/dbraw/zinc/64/56/19/1049645619.db2.gz YQCAETCTSMGAND-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2ccc([O-])cc2F)c1 ZINC001206081068 1049648518 /nfs/dbraw/zinc/64/85/18/1049648518.db2.gz UJBDKKVZULZSFC-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM C/C(=C\Cl)CSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000797815965 1049651055 /nfs/dbraw/zinc/65/10/55/1049651055.db2.gz ZVFONIPJRTZSNR-RMKNXTFCSA-N -1 3 310.802 4.183 20 0 DIADHM O=C(CCCc1ccccc1)[N-]OCc1cccc(C(F)F)c1 ZINC000794719673 1049685430 /nfs/dbraw/zinc/68/54/30/1049685430.db2.gz HFLVLADXKXOOSM-UHFFFAOYSA-N -1 3 319.351 4.195 20 0 DIADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])c(O)c1 ZINC001206295406 1049703222 /nfs/dbraw/zinc/70/32/22/1049703222.db2.gz UTHLGRJVTMHKJT-UHFFFAOYSA-N -1 3 312.138 4.051 20 0 DIADHM O=c1ccn(-c2ccc(NC3=CC[C@H](C(F)(F)F)CC3)cc2)[n-]1 ZINC001197425729 1049750919 /nfs/dbraw/zinc/75/09/19/1049750919.db2.gz MFIBKOBTDQAZDM-NSHDSACASA-N -1 3 323.318 4.236 20 0 DIADHM Cc1c(Cl)ccc2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001207243078 1049869523 /nfs/dbraw/zinc/86/95/23/1049869523.db2.gz INAXHADILMIHTO-UHFFFAOYSA-N -1 3 323.770 4.191 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3cccnc3o2)CC)n1 ZINC000571734093 1049946275 /nfs/dbraw/zinc/94/62/75/1049946275.db2.gz VNNSQAGLLOYNCW-FMIVXFBMSA-N -1 3 309.369 4.227 20 0 DIADHM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001209333237 1050052613 /nfs/dbraw/zinc/05/26/13/1050052613.db2.gz QIUSCKLISNHZLU-UHFFFAOYSA-N -1 3 323.911 4.141 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000589703164 1050055960 /nfs/dbraw/zinc/05/59/60/1050055960.db2.gz LCUQILXDJKOGTM-SFHVURJKSA-N -1 3 323.436 4.365 20 0 DIADHM O=C1CCc2c1cccc2Nc1ccc([O-])c(C(F)(F)F)c1 ZINC001209986079 1050117467 /nfs/dbraw/zinc/11/74/67/1050117467.db2.gz UTURXWZKBQEOAH-UHFFFAOYSA-N -1 3 307.271 4.284 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(O)c(C(F)(F)F)c2)cc1F ZINC001209986002 1050117592 /nfs/dbraw/zinc/11/75/92/1050117592.db2.gz PXNWPHYQQYKJBQ-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM O=c1cc(Nc2cc(Cl)c(F)cc2F)n(C2CCCC2)[n-]1 ZINC001210109655 1050138214 /nfs/dbraw/zinc/13/82/14/1050138214.db2.gz KPRIVRWANAVNNU-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM O=C(CCCc1cccc(C(F)(F)F)c1)[N-]OC1CCCC1 ZINC000770254638 1050147936 /nfs/dbraw/zinc/14/79/36/1050147936.db2.gz SPQYNZFGLSFRFK-UHFFFAOYSA-N -1 3 315.335 4.019 20 0 DIADHM Nc1ccc(Br)cc1Nc1cccc([O-])c1Cl ZINC001160278922 1050150038 /nfs/dbraw/zinc/15/00/38/1050150038.db2.gz USHLWXXVUIKTFO-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnc2c(C3CCC3)cnn2c1 ZINC001210220762 1050163053 /nfs/dbraw/zinc/16/30/53/1050163053.db2.gz QVWSUYMOSGOVNH-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc2nc(C3CCC3)nn2c1 ZINC001210220759 1050163129 /nfs/dbraw/zinc/16/31/29/1050163129.db2.gz YOARDQILFDOZDV-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccnc(OC(F)(F)F)c1 ZINC001210220108 1050163161 /nfs/dbraw/zinc/16/31/61/1050163161.db2.gz MHGXNKKJKOJKHA-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(-c2ccccc2O)no1 ZINC001210218842 1050163395 /nfs/dbraw/zinc/16/33/95/1050163395.db2.gz DTGFYHROAGRBCV-UHFFFAOYSA-N -1 3 302.717 4.150 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc2nnc(C3CCC3)n2c1 ZINC001210221211 1050163426 /nfs/dbraw/zinc/16/34/26/1050163426.db2.gz XTXYHHPLYLNNAE-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM COc1ccc2ccc(Nc3cccc(Cl)c3[O-])cc2n1 ZINC001210222389 1050163870 /nfs/dbraw/zinc/16/38/70/1050163870.db2.gz FOYNROOPLWOUES-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM Nc1ccc(N(c2cccc(Cl)c2[O-])C2CCCC2)nc1 ZINC001210220154 1050164077 /nfs/dbraw/zinc/16/40/77/1050164077.db2.gz OCRZFMRBODMHIH-UHFFFAOYSA-N -1 3 303.793 4.104 20 0 DIADHM CCOC(=O)c1ccc(C)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222227 1050164106 /nfs/dbraw/zinc/16/41/06/1050164106.db2.gz VVEHOZPLHNVPCX-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM CC(C)(C)c1cc(Nc2cccc(Cl)c2[O-])c(C(N)=O)s1 ZINC001210218789 1050164116 /nfs/dbraw/zinc/16/41/16/1050164116.db2.gz MBJSQANIDFAYNF-UHFFFAOYSA-N -1 3 324.833 4.247 20 0 DIADHM O=C(c1ccncc1)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223431 1050165268 /nfs/dbraw/zinc/16/52/68/1050165268.db2.gz VPMWFSORIUEJOG-UHFFFAOYSA-N -1 3 324.767 4.415 20 0 DIADHM Cc1nc(-c2ccc(Nc3cccc(Cl)c3[O-])cc2)no1 ZINC001210222952 1050165369 /nfs/dbraw/zinc/16/53/69/1050165369.db2.gz FUMUJWWSHMIBBE-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM CCOC(=O)Cc1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222554 1050165432 /nfs/dbraw/zinc/16/54/32/1050165432.db2.gz NYUTYFIYEOPXNW-UHFFFAOYSA-N -1 3 323.751 4.034 20 0 DIADHM CCOC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210223350 1050165543 /nfs/dbraw/zinc/16/55/43/1050165543.db2.gz PDIABROCOPRUPU-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccccc1OC1CCOCC1 ZINC001210223015 1050166025 /nfs/dbraw/zinc/16/60/25/1050166025.db2.gz HHGSKYXEWMUXMG-UHFFFAOYSA-N -1 3 319.788 4.347 20 0 DIADHM COC(=O)[C@H](C)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223353 1050166400 /nfs/dbraw/zinc/16/64/00/1050166400.db2.gz PFODNJKJOTUPLK-SNVBAGLBSA-N -1 3 305.761 4.066 20 0 DIADHM CCSc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC001136821353 1050185090 /nfs/dbraw/zinc/18/50/90/1050185090.db2.gz ZBCUMKXSTLMVOE-UHFFFAOYSA-N -1 3 301.411 4.319 20 0 DIADHM O=C([N-]c1ccccc1SC(F)(F)F)c1nccs1 ZINC000770693134 1050188572 /nfs/dbraw/zinc/18/85/72/1050188572.db2.gz AVRMQUOVIAJFDF-UHFFFAOYSA-N -1 3 304.318 4.007 20 0 DIADHM COc1c(F)cccc1Nc1cccc([O-])c1Br ZINC001210414703 1050237396 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[O-]c1cc(Nc2ccc(OCC(F)(F)F)cc2)c(F)cc1F ZINC001210742209 1050357346 /nfs/dbraw/zinc/35/73/46/1050357346.db2.gz BFFFCYRITXFVAR-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM Cc1noc(C(C)C)c1C(=O)[N-]c1cc(-c2cccs2)on1 ZINC000844153374 1050359824 /nfs/dbraw/zinc/35/98/24/1050359824.db2.gz HRBDWZGCOSTRHU-UHFFFAOYSA-N -1 3 317.370 4.075 20 0 DIADHM COC(=O)c1cc(C)cc(Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214563560 1050373242 /nfs/dbraw/zinc/37/32/42/1050373242.db2.gz HCVKTBZKDPJNGI-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM [O-]c1cccc(Nc2c(F)c(F)nc(F)c2Cl)c1Cl ZINC001210845260 1050389804 /nfs/dbraw/zinc/38/98/04/1050389804.db2.gz WMFAHJRBWLFYRN-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM [O-]c1cccc(Nc2ccnn2-c2ccccc2F)c1Cl ZINC001210853695 1050391074 /nfs/dbraw/zinc/39/10/74/1050391074.db2.gz DUOYAESAHIZVLS-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1cccc(Nc2nc(F)cc(C(F)(F)F)c2F)c1Cl ZINC001210845589 1050391494 /nfs/dbraw/zinc/39/14/94/1050391494.db2.gz ZKRJBRTWXBEAIH-UHFFFAOYSA-N -1 3 324.636 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ZINC000792481571 1051141068 /nfs/dbraw/zinc/14/10/68/1051141068.db2.gz FYMACJKBWJXWCN-UHFFFAOYSA-N -1 3 307.349 4.066 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccc1Cl ZINC001215296863 1051156143 /nfs/dbraw/zinc/15/61/43/1051156143.db2.gz ACBRWOHDIBTPDL-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(C)ccc3Cl)no2)c([O-])c1 ZINC001215297396 1051157712 /nfs/dbraw/zinc/15/77/12/1051157712.db2.gz ZZDDDXFKFZFKBX-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(C)c(F)cc3F)no2)c([O-])c1 ZINC001215297232 1051158170 /nfs/dbraw/zinc/15/81/70/1051158170.db2.gz RVMJHFCNWNLLLV-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc4scnc4c3)no2)c([O-])c1 ZINC001215296987 1051158317 /nfs/dbraw/zinc/15/83/17/1051158317.db2.gz JFUWSPPIYHGFAP-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM O=c1cc(Nc2ccc(F)c(F)c2Cl)[n-]n1-c1ccccc1 ZINC001215402033 1051189913 /nfs/dbraw/zinc/18/99/13/1051189913.db2.gz XVALGAZYVWGMKU-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM [O-]c1cc(F)c(Nc2ccnn2-c2ccccc2Cl)cc1F ZINC001215572465 1051251564 /nfs/dbraw/zinc/25/15/64/1051251564.db2.gz HSIZEWRIIJARSE-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Cc1cc(Nc2cc(F)c([O-])cc2F)n(-c2cccc(C)c2)n1 ZINC001215572229 1051252322 /nfs/dbraw/zinc/25/23/22/1051252322.db2.gz RNNJWTBIZZLTFU-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM CC(C)Oc1c(F)ccc(Nc2cc([O-])c(F)cc2F)c1F ZINC001215729171 1051329629 /nfs/dbraw/zinc/32/96/29/1051329629.db2.gz WFPWPZFJZRDIKA-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc3c(c2)OCCCO3)c1F ZINC001214559930 1051382080 /nfs/dbraw/zinc/38/20/80/1051382080.db2.gz VTQXUOYCDUCWKP-UHFFFAOYSA-N -1 3 309.724 4.090 20 0 DIADHM CSc1cccc(F)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001215823218 1051389156 /nfs/dbraw/zinc/38/91/56/1051389156.db2.gz NVKSKKTVKMYSPB-UHFFFAOYSA-N -1 3 315.373 4.183 20 0 DIADHM CSc1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1F ZINC001215841754 1051406045 /nfs/dbraw/zinc/40/60/45/1051406045.db2.gz QQEJRLGWEQNXJD-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM O=c1cc(Nc2cnc(F)c(-c3ccccc3)c2)nc(C2CC2)[n-]1 ZINC001215959308 1051483034 /nfs/dbraw/zinc/48/30/34/1051483034.db2.gz SZYLJUWGBDKAAV-UHFFFAOYSA-N -1 3 322.343 4.004 20 0 DIADHM [O-]c1cccc(Nc2c(O)cccc2Cl)c1Br ZINC001215988055 1051506419 /nfs/dbraw/zinc/50/64/19/1051506419.db2.gz QJIRWOOZBOOZAG-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CC(C)c1ccc(N)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001216025551 1051530992 /nfs/dbraw/zinc/53/09/92/1051530992.db2.gz KQDBLBPPSAWMKG-UHFFFAOYSA-N -1 3 308.385 4.027 20 0 DIADHM [O-]c1cc(Nc2cc(Br)cnc2F)ccc1Cl ZINC001212588692 1051578708 /nfs/dbraw/zinc/57/87/08/1051578708.db2.gz YUXAXJJKFVUMPU-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cc(C)c(N)c(Nc2cccc([O-])c2Br)c1 ZINC001216101516 1051580045 /nfs/dbraw/zinc/58/00/45/1051580045.db2.gz OJHAATPISNWTPA-UHFFFAOYSA-N -1 3 307.191 4.097 20 0 DIADHM Cc1ccnc(Br)c1Nc1ccc(Cl)c([O-])c1 ZINC001212589305 1051585692 /nfs/dbraw/zinc/58/56/92/1051585692.db2.gz FIBCFZXUUCWWOV-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Nc1ccc(Nc2cc([O-])c(F)cc2F)c(C(F)(F)F)c1 ZINC001216132807 1051594946 /nfs/dbraw/zinc/59/49/46/1051594946.db2.gz VQVKBYVXSFHEOF-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM O=C(/C=C\c1ccnc2ccccc12)Nc1c([O-])cccc1Cl ZINC000493372984 1051615621 /nfs/dbraw/zinc/61/56/21/1051615621.db2.gz UCEZRNVICVNNLH-HJWRWDBZSA-N -1 3 324.767 4.246 20 0 DIADHM [O-]c1cc(Nc2ccnc(F)c2Br)ccc1Cl ZINC001212590277 1051617113 /nfs/dbraw/zinc/61/71/13/1051617113.db2.gz DRBPAFJJXIKFKY-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM [O-]c1cc(Nc2ccnn2-c2ccccc2F)ccc1Cl ZINC001212590384 1051620860 /nfs/dbraw/zinc/62/08/60/1051620860.db2.gz KAIFGYREIAFKKO-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1cc(Nc2cc(-c3ccncn3)cs2)ccc1Cl ZINC001212590539 1051626654 /nfs/dbraw/zinc/62/66/54/1051626654.db2.gz QVMVDOJEXRRMSK-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212591665 1051645874 /nfs/dbraw/zinc/64/58/74/1051645874.db2.gz YBHVGDXWROKJSW-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Cc1ccccc1-c1cc(Nc2ccc(Cl)c([O-])c2)n(C)n1 ZINC001212591520 1051646207 /nfs/dbraw/zinc/64/62/07/1051646207.db2.gz QJRPVTDTWGXDRD-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM Cc1ccc(-c2cc(Nc3ccc(Cl)c([O-])c3)n(C)n2)cc1 ZINC001212591541 1051646355 /nfs/dbraw/zinc/64/63/55/1051646355.db2.gz RMVOGYUHAKAVFX-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM COc1cc(Nc2ccc(Cl)c([O-])c2)ncc1C(F)(F)F ZINC001212591449 1051646849 /nfs/dbraw/zinc/64/68/49/1051646849.db2.gz NDOYIWAXJKPYLT-UHFFFAOYSA-N -1 3 318.682 4.212 20 0 DIADHM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(Cl)c([O-])c1 ZINC001212592227 1051663599 /nfs/dbraw/zinc/66/35/99/1051663599.db2.gz FNTAPBHVLMVYLP-UHFFFAOYSA-N -1 3 318.804 4.318 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c(O)c1 ZINC001216267991 1051666333 /nfs/dbraw/zinc/66/63/33/1051666333.db2.gz ZRQIYSDBPGAJBO-UHFFFAOYSA-N -1 3 324.380 4.421 20 0 DIADHM CCOC(=O)c1ccc(NC)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592390 1051667168 /nfs/dbraw/zinc/66/71/68/1051667168.db2.gz NKZZAIHYAQPBJD-UHFFFAOYSA-N -1 3 320.776 4.008 20 0 DIADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)ccc1Cl ZINC001212593484 1051668221 /nfs/dbraw/zinc/66/82/21/1051668221.db2.gz TXPLHJGLKIDPEZ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212594880 1051701541 /nfs/dbraw/zinc/70/15/41/1051701541.db2.gz AXYKQZHWJOHNEV-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM CN1c2cc(Nc3ccc(Cl)c([O-])c3)ccc2C(C)(C)C1=O ZINC001212595475 1051709087 /nfs/dbraw/zinc/70/90/87/1051709087.db2.gz VRWCGVHMYASLLF-UHFFFAOYSA-N -1 3 316.788 4.043 20 0 DIADHM COc1c(F)ccc(Nc2ccc(C)c([O-])c2Cl)c1OC ZINC001216395002 1051743994 /nfs/dbraw/zinc/74/39/94/1051743994.db2.gz LYUDQBAKCLLIQP-UHFFFAOYSA-N -1 3 311.740 4.254 20 0 DIADHM CC(=O)c1cccc(Nc2cccc(C(F)(F)F)c2[O-])c1F ZINC001216504262 1051796832 /nfs/dbraw/zinc/79/68/32/1051796832.db2.gz RPZVOECWCHNRLJ-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM [O-]c1cc(Nc2cccc(OC(F)(F)F)c2F)c(F)cc1F ZINC001216522918 1051804058 /nfs/dbraw/zinc/80/40/58/1051804058.db2.gz HRWJKHPBIVMPFQ-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001216536268 1051809259 /nfs/dbraw/zinc/80/92/59/1051809259.db2.gz GEJHLCWSLBDJJT-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM COc1c(C)cc(-c2noc(-c3c(C)cccc3[O-])n2)cc1C ZINC001216536599 1051810951 /nfs/dbraw/zinc/81/09/51/1051810951.db2.gz NJEAGKPFQLHVNA-UHFFFAOYSA-N -1 3 310.353 4.043 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc3scnc3c2)no1 ZINC001216537322 1051811248 /nfs/dbraw/zinc/81/12/48/1051811248.db2.gz ZGCIJOBUMQRCJR-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001216537180 1051811271 /nfs/dbraw/zinc/81/12/71/1051811271.db2.gz VOCGBFQKMKKPKN-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001216537279 1051811304 /nfs/dbraw/zinc/81/13/04/1051811304.db2.gz XUXWNAMUWHQTKT-UHFFFAOYSA-N -1 3 319.320 4.073 20 0 DIADHM COc1c(F)cc(SC)cc1Nc1ncc(Cl)cc1[O-] ZINC001216579388 1051822461 /nfs/dbraw/zinc/82/24/61/1051822461.db2.gz BBZINSYCKLIIOC-UHFFFAOYSA-N -1 3 314.769 4.054 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc(C(F)(F)F)c1 ZINC000806573582 1051823439 /nfs/dbraw/zinc/82/34/39/1051823439.db2.gz MZMCLCRSYLZHET-ZMLXFWSASA-N -1 3 306.287 4.318 20 0 DIADHM CCOC(=O)c1sc([N-]c2c(F)cccc2F)nc1C1CC1 ZINC001173859783 1051832480 /nfs/dbraw/zinc/83/24/80/1051832480.db2.gz AJDGXOOFYRWABD-UHFFFAOYSA-N -1 3 324.352 4.219 20 0 DIADHM COc1c([N-]c2noc(C(C)(C)C)n2)cccc1C(F)(F)F ZINC001216633984 1051842926 /nfs/dbraw/zinc/84/29/26/1051842926.db2.gz RUNHPUWDQLCGHG-UHFFFAOYSA-N -1 3 315.295 4.138 20 0 DIADHM CC(C)(C)OC(=O)n1ccc([N-]c2nc(C(C)(C)C)cs2)n1 ZINC001216670921 1051859280 /nfs/dbraw/zinc/85/92/80/1051859280.db2.gz HAFPYEUNGMVCKN-UHFFFAOYSA-N -1 3 322.434 4.164 20 0 DIADHM Cc1ncc(Nc2ccc(-c3nc4ccccc4o3)cc2)c(=O)[n-]1 ZINC001216685902 1051862533 /nfs/dbraw/zinc/86/25/33/1051862533.db2.gz ARSFSAQHKLNVRH-UHFFFAOYSA-N -1 3 318.336 4.042 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccc4ccncc43)no2)c1 ZINC001216701977 1051865798 /nfs/dbraw/zinc/86/57/98/1051865798.db2.gz FRTDNCQSJWVEMO-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1c(F)cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1F ZINC001216702482 1051865898 /nfs/dbraw/zinc/86/58/98/1051865898.db2.gz UKFMPXNUXMQCLE-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1F ZINC001216701765 1051866899 /nfs/dbraw/zinc/86/68/99/1051866899.db2.gz AFNFLTUAAOUPBH-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cc(F)c(F)c(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1 ZINC001216895062 1051902474 /nfs/dbraw/zinc/90/24/74/1051902474.db2.gz DUOLFBONIPYURC-UHFFFAOYSA-N -1 3 320.270 4.143 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc(F)c3Cl)no2)cc1F ZINC001216895932 1051903471 /nfs/dbraw/zinc/90/34/71/1051903471.db2.gz MQNZFGMQZXBMLR-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cc(F)c(C)c(F)c3)no2)cc1F ZINC001216895363 1051903857 /nfs/dbraw/zinc/90/38/57/1051903857.db2.gz ONOATZLUDDMTLX-UHFFFAOYSA-N -1 3 320.270 4.143 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)nc1 ZINC001216908255 1051906023 /nfs/dbraw/zinc/90/60/23/1051906023.db2.gz WYPXZORNIOSYCA-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM Cc1cc(C)c(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)cn1 ZINC001216907860 1051906180 /nfs/dbraw/zinc/90/61/80/1051906180.db2.gz RMJSHNBJEHCFRZ-UHFFFAOYSA-N -1 3 323.396 4.419 20 0 DIADHM CCOc1cccc(-c2nc(-c3cccc(CC)c3)no2)c1[O-] ZINC001216955924 1051916213 /nfs/dbraw/zinc/91/62/13/1051916213.db2.gz FXNOJRXUYHGHCP-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM Fc1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1Cl ZINC001217136775 1051972273 /nfs/dbraw/zinc/97/22/73/1051972273.db2.gz GLZBJIQFYRJWIH-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1cc(-c2noc(-c3nc4ccccc4[n-]3)n2)ccc1Cl ZINC001217136844 1051972845 /nfs/dbraw/zinc/97/28/45/1051972845.db2.gz JGTJFLPQOUIBKV-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM c1ccc2[n-]c(-c3nc(-c4ccc5ccccc5c4)no3)nc2c1 ZINC001217136870 1051973425 /nfs/dbraw/zinc/97/34/25/1051973425.db2.gz JXGKKZFMTRYAHN-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM CCCCNC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174123174 1052001739 /nfs/dbraw/zinc/00/17/39/1052001739.db2.gz AAINEOMRMSPPTH-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM COc1ccc(Nc2cccc([O-])c2Br)c(F)c1 ZINC001174147077 1052018696 /nfs/dbraw/zinc/01/86/96/1052018696.db2.gz DDOFMKLQFOCABT-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2ccc3occc3c2)no1 ZINC001217322710 1052023914 /nfs/dbraw/zinc/02/39/14/1052023914.db2.gz HSPORNFYLHMVOI-UHFFFAOYSA-N -1 3 320.283 4.165 20 0 DIADHM CCCCNC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174189332 1052038525 /nfs/dbraw/zinc/03/85/25/1052038525.db2.gz AMQRHJCBJWFCNQ-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM Cc1cc(C)cc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1 ZINC001217441172 1052057061 /nfs/dbraw/zinc/05/70/61/1052057061.db2.gz HYCLJXZJBGISGC-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccccc1-c1noc(-c2c([O-])cc3ccccc3c2O)n1 ZINC001217454165 1052060091 /nfs/dbraw/zinc/06/00/91/1052060091.db2.gz XFBYEPHWZXIYAM-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])c1ccc(Cl)cc1 ZINC000769681278 1052092981 /nfs/dbraw/zinc/09/29/81/1052092981.db2.gz OEXWOZDTAUIAPZ-UHFFFAOYSA-N -1 3 303.789 4.329 20 0 DIADHM CC(C)n1cnc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001174381979 1052141360 /nfs/dbraw/zinc/14/13/60/1052141360.db2.gz YJRLRXNQNOOBOY-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM CC(C)n1cnc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001174382978 1052143731 /nfs/dbraw/zinc/14/37/31/1052143731.db2.gz GMTZGAVRWPLLHR-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM CC(C)CCn1cc([N-]c2nc3cc(Cl)ccc3o2)cn1 ZINC001174413315 1052166049 /nfs/dbraw/zinc/16/60/49/1052166049.db2.gz VPYWQNZIOOUWFH-UHFFFAOYSA-N -1 3 304.781 4.467 20 0 DIADHM O=C(OCc1ncc(-c2ccccc2)o1)c1cc2ccsc2[n-]1 ZINC000914892320 1052285704 /nfs/dbraw/zinc/28/57/04/1052285704.db2.gz YLJDYUREUPQBPK-UHFFFAOYSA-N -1 3 324.361 4.241 20 0 DIADHM [O-]c1cccc(CNc2ccc(Cl)cc2)c1Br ZINC000315621123 1052346652 /nfs/dbraw/zinc/34/66/52/1052346652.db2.gz SVEFUWDPFSDJIW-UHFFFAOYSA-N -1 3 312.594 4.420 20 0 DIADHM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000915385062 1052405784 /nfs/dbraw/zinc/40/57/84/1052405784.db2.gz ROZRFUSFFAYSAQ-SKDRFNHKSA-N -1 3 320.216 4.074 20 0 DIADHM Cc1ccc(-c2cc(C(=O)[N-]c3cccc(F)c3F)on2)cc1 ZINC000067090062 1052700688 /nfs/dbraw/zinc/70/06/88/1052700688.db2.gz OYYOIUHPCCVNNJ-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000128189944 1052711998 /nfs/dbraw/zinc/71/19/98/1052711998.db2.gz KXCZMUNAQVHTJK-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM CC[C@H](C)[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128651273 1052740441 /nfs/dbraw/zinc/74/04/41/1052740441.db2.gz RFNVPTDKTJMTRH-BLLLJJGKSA-N -1 3 301.361 4.300 20 0 DIADHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc([O-])c1F ZINC000128706382 1052746010 /nfs/dbraw/zinc/74/60/10/1052746010.db2.gz QPLWDMGUILKUPG-UHFFFAOYSA-N -1 3 321.351 4.380 20 0 DIADHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000129403595 1052787547 /nfs/dbraw/zinc/78/75/47/1052787547.db2.gz FRPITTGDEATRSL-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1CCC(c2ccccc2)CC1 ZINC000129585830 1052797592 /nfs/dbraw/zinc/79/75/92/1052797592.db2.gz LJTNJASVGPZDFS-UHFFFAOYSA-N -1 3 313.372 4.444 20 0 DIADHM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129604592 1052798540 /nfs/dbraw/zinc/79/85/40/1052798540.db2.gz UFSOYHDUKWFBKX-JTQLQIEISA-N -1 3 323.364 4.037 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c2ccccc2n1 ZINC000069693201 1052798621 /nfs/dbraw/zinc/79/86/21/1052798621.db2.gz ZDWWKPOUFLNNKF-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccccc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693334 1052798760 /nfs/dbraw/zinc/79/87/60/1052798760.db2.gz WNVJWUSYEWKKQC-UHFFFAOYSA-N -1 3 307.802 4.085 20 0 DIADHM Cc1cnc(=S)[n-]c1OCc1ccc(OC(C)C)c(Cl)c1 ZINC001225740969 1052824720 /nfs/dbraw/zinc/82/47/20/1052824720.db2.gz LHWRHGANIFZWCA-UHFFFAOYSA-N -1 3 324.833 4.093 20 0 DIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cc1F ZINC000918939937 1052843567 /nfs/dbraw/zinc/84/35/67/1052843567.db2.gz QWCNEHJFQJHDOF-MRVPVSSYSA-N -1 3 307.321 4.426 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cc(-c3ccccc3)no2)c1 ZINC001225995479 1052856391 /nfs/dbraw/zinc/85/63/91/1052856391.db2.gz RWGZKXUFCKMVDC-CYBMUJFWSA-N -1 3 323.348 4.390 20 0 DIADHM COc1ccc([C@H](Oc2cc(C(C)=O)ccc2[O-])C(C)C)cc1 ZINC001225995421 1052856670 /nfs/dbraw/zinc/85/66/70/1052856670.db2.gz RATAEJXJTRTFTO-LJQANCHMSA-N -1 3 314.381 4.380 20 0 DIADHM CCSc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000556878289 1052892776 /nfs/dbraw/zinc/89/27/76/1052892776.db2.gz LQVXOGMFFCBSES-UHFFFAOYSA-N -1 3 309.381 4.072 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccc(C)cc2C)c1O ZINC001226482176 1052900819 /nfs/dbraw/zinc/90/08/19/1052900819.db2.gz KHMMVLMFKMZGFB-CYBMUJFWSA-N -1 3 300.354 4.057 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cc(Cl)ccc2C)c1O ZINC001226482444 1052901264 /nfs/dbraw/zinc/90/12/64/1052901264.db2.gz NQWOTUXQYFCERJ-NSHDSACASA-N -1 3 320.772 4.402 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(OC3CCCCCCC3)cc12 ZINC001226531504 1052907756 /nfs/dbraw/zinc/90/77/56/1052907756.db2.gz BFYSJRNPEZJKGY-UHFFFAOYSA-N -1 3 302.370 4.299 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)CCc3ccccc3)cc12 ZINC001226532131 1052907780 /nfs/dbraw/zinc/90/77/80/1052907780.db2.gz OHICNYXEOUIUQX-CQSZACIVSA-N -1 3 324.376 4.207 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(OC3C[C@H](C)C[C@@H](C)C3)cc12 ZINC001226531710 1052907808 /nfs/dbraw/zinc/90/78/08/1052907808.db2.gz FSHVOYSIEMCRGV-GHMZBOCLSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cccc([C@H](C)Oc2cc3c(C)cc(=O)oc3cc2[O-])c1 ZINC001226532798 1052907845 /nfs/dbraw/zinc/90/78/45/1052907845.db2.gz VIBJRYYPKHIZMM-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cccc2c1CC[C@@H]2Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533729 1052908633 /nfs/dbraw/zinc/90/86/33/1052908633.db2.gz HOMIGXQQMWTUGU-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM CC[C@@H](Oc1cc2c(C)cc(=O)oc2cc1[O-])c1ccccc1 ZINC001226536628 1052908982 /nfs/dbraw/zinc/90/89/82/1052908982.db2.gz XSDJLHZDPIJDDP-MRXNPFEDSA-N -1 3 310.349 4.337 20 0 DIADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1csc(Cl)c1 ZINC001226597293 1052914237 /nfs/dbraw/zinc/91/42/37/1052914237.db2.gz SYIXKARVRWAEOV-MRVPVSSYSA-N -1 3 322.769 4.354 20 0 DIADHM CCC[C@H]1CCCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598647 1052914278 /nfs/dbraw/zinc/91/42/78/1052914278.db2.gz FSZDFXRPHUZQFW-SWLSCSKDSA-N -1 3 302.370 4.236 20 0 DIADHM [O-]c1cccc(OC[C@@H]2CCC(c3ccccc3)=NO2)c1Cl ZINC001226710267 1052923503 /nfs/dbraw/zinc/92/35/03/1052923503.db2.gz XFGKRTXZXNBIQW-ZDUSSCGKSA-N -1 3 317.772 4.008 20 0 DIADHM Cc1cc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c(C)s1 ZINC000920517956 1052944654 /nfs/dbraw/zinc/94/46/54/1052944654.db2.gz MNGBAIOBSKLYEK-UHFFFAOYSA-N -1 3 304.198 4.357 20 0 DIADHM O=c1cc(O[C@H](c2ccccc2)c2ccccc2Cl)nc[n-]1 ZINC001226945480 1052946758 /nfs/dbraw/zinc/94/67/58/1052946758.db2.gz VWFHZZRGZHFYEZ-QGZVFWFLSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1cc(O[C@H](c2ccccc2)c2cccc(Cl)c2)nc[n-]1 ZINC001226947757 1052946829 /nfs/dbraw/zinc/94/68/29/1052946829.db2.gz VGWXZGLGHTYRPR-QGZVFWFLSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@H](NC(=O)c1ccccc1[O-])c1nc(-c2ccccc2)cs1 ZINC000078554401 1052986502 /nfs/dbraw/zinc/98/65/02/1052986502.db2.gz HQRZSUIOWCEXCQ-LBPRGKRZSA-N -1 3 324.405 4.007 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccc(F)c1F ZINC001227584836 1053002385 /nfs/dbraw/zinc/00/23/85/1053002385.db2.gz VSMSQKDVFQCETL-ZETCQYMHSA-N -1 3 319.229 4.224 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccc(F)c1 ZINC001227586240 1053002489 /nfs/dbraw/zinc/00/24/89/1053002489.db2.gz KCIVXLURZYIVMG-QMMMGPOBSA-N -1 3 301.239 4.085 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccc(F)cc1 ZINC001227586697 1053002500 /nfs/dbraw/zinc/00/25/00/1053002500.db2.gz NCYCRPXFZRHNLW-MRVPVSSYSA-N -1 3 301.239 4.085 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1c(F)cccc1F ZINC001227587603 1053003121 /nfs/dbraw/zinc/00/31/21/1053003121.db2.gz VONUPKPHDUSIKF-SSDOTTSWSA-N -1 3 319.229 4.224 20 0 DIADHM C[C@H]1CCCC[C@@H]1Oc1c([O-])cc(Br)cc1F ZINC001227588714 1053003330 /nfs/dbraw/zinc/00/33/30/1053003330.db2.gz URKJKBXGILRFRW-UFBFGSQYSA-N -1 3 303.171 4.251 20 0 DIADHM CCCCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC001227622075 1053004819 /nfs/dbraw/zinc/00/48/19/1053004819.db2.gz KECOCQQUBALYHX-INIZCTEOSA-N -1 3 324.440 4.326 20 0 DIADHM CCCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C ZINC001227622076 1053004895 /nfs/dbraw/zinc/00/48/95/1053004895.db2.gz KECOCQQUBALYHX-MRXNPFEDSA-N -1 3 324.440 4.326 20 0 DIADHM [O-]c1cc(Cl)cnc1O[C@H](c1ccccc1)c1ccccn1 ZINC001227979599 1053033368 /nfs/dbraw/zinc/03/33/68/1053033368.db2.gz DWSVSVMEABOHOV-MRXNPFEDSA-N -1 3 312.756 4.004 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000617274760 1053119610 /nfs/dbraw/zinc/11/96/10/1053119610.db2.gz IMGUVESWXLKPCF-UHFFFAOYSA-N -1 3 322.405 4.295 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCC=CCCC1 ZINC001228622821 1053148187 /nfs/dbraw/zinc/14/81/87/1053148187.db2.gz LSTSHYDMCSHEBW-ZDUSSCGKSA-N -1 3 300.354 4.075 20 0 DIADHM CC[C@H]1CCCC[C@@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628038 1053149620 /nfs/dbraw/zinc/14/96/20/1053149620.db2.gz HTLHJPOQXFJCCC-WFASDCNBSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001228623498 1053149787 /nfs/dbraw/zinc/14/97/87/1053149787.db2.gz RRODDNSRRRXKRV-ITDIGPHOSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)CCc1ccccc1 ZINC001228623351 1053150224 /nfs/dbraw/zinc/15/02/24/1053150224.db2.gz RQVHQEHTDCDHMN-AWEZNQCLSA-N -1 3 324.376 4.207 20 0 DIADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1cccc2ccccc21 ZINC001228695703 1053160620 /nfs/dbraw/zinc/16/06/20/1053160620.db2.gz PBXDUQPPKJQGLF-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1cccc2ccccc21 ZINC001228695703 1053160629 /nfs/dbraw/zinc/16/06/29/1053160629.db2.gz PBXDUQPPKJQGLF-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1cccc2ccccc21 ZINC001228695703 1053160637 /nfs/dbraw/zinc/16/06/37/1053160637.db2.gz PBXDUQPPKJQGLF-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM Cc1occc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000181287935 1053178212 /nfs/dbraw/zinc/17/82/12/1053178212.db2.gz NAUCVNAASNCHPG-UHFFFAOYSA-N -1 3 302.351 4.001 20 0 DIADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(Cl)c1 ZINC001228854296 1053194347 /nfs/dbraw/zinc/19/43/47/1053194347.db2.gz QSMAQQKRLIWDLM-JTQLQIEISA-N -1 3 302.757 4.315 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)c1nccs1 ZINC001228959505 1053212750 /nfs/dbraw/zinc/21/27/50/1053212750.db2.gz CEDIISHZVVRDQK-NSHDSACASA-N -1 3 305.399 4.315 20 0 DIADHM [O-]c1cc(Br)cnc1O[C@H](c1ccccc1)C1CC1 ZINC001228953114 1053212862 /nfs/dbraw/zinc/21/28/62/1053212862.db2.gz PYIKWPKIEDODCD-CQSZACIVSA-N -1 3 320.186 4.080 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)c1nccs1 ZINC001228959504 1053212874 /nfs/dbraw/zinc/21/28/74/1053212874.db2.gz CEDIISHZVVRDQK-LLVKDONJSA-N -1 3 305.399 4.315 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)c1cccnc1F ZINC001228959471 1053212889 /nfs/dbraw/zinc/21/28/89/1053212889.db2.gz ATQPJIHOMOSIEV-LBPRGKRZSA-N -1 3 317.360 4.392 20 0 DIADHM [O-]c1cc(Br)cnc1O[C@@H]1CCCc2ccccc21 ZINC001228957279 1053212936 /nfs/dbraw/zinc/21/29/36/1053212936.db2.gz SYOMSCYDVJBEOJ-CQSZACIVSA-N -1 3 320.186 4.006 20 0 DIADHM [O-]c1cc(Br)cnc1O[C@@H](c1ccccc1)C1CC1 ZINC001228953113 1053213872 /nfs/dbraw/zinc/21/38/72/1053213872.db2.gz PYIKWPKIEDODCD-AWEZNQCLSA-N -1 3 320.186 4.080 20 0 DIADHM C[C@@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C[C@@H]1C ZINC001229098942 1053246961 /nfs/dbraw/zinc/24/69/61/1053246961.db2.gz GZKBRVQUPBBZBI-WCABBAIRSA-N -1 3 315.207 4.064 20 0 DIADHM CCC[C@@H](C)[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096511 1053245997 /nfs/dbraw/zinc/24/59/97/1053245997.db2.gz DYXDALKRUZIFCF-BXKDBHETSA-N -1 3 317.223 4.454 20 0 DIADHM CCCC[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229098210 1053246179 /nfs/dbraw/zinc/24/61/79/1053246179.db2.gz CZPYKLQKKAVPIJ-JTQLQIEISA-N -1 3 303.196 4.208 20 0 DIADHM C[C@@H]1CCC[C@@H](C)C1Oc1cc(O)cc([O-])c1Br ZINC001229096768 1053246841 /nfs/dbraw/zinc/24/68/41/1053246841.db2.gz JJUBGXSBNAAPLU-RKDXNWHRSA-N -1 3 315.207 4.064 20 0 DIADHM CC(C)=CCC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229096719 1053246918 /nfs/dbraw/zinc/24/69/18/1053246918.db2.gz IRAKUVRLSJRVNP-SNVBAGLBSA-N -1 3 315.207 4.374 20 0 DIADHM Cc1cccc([C@H](C)Oc2cc(O)cc([O-])c2Br)c1 ZINC001229096897 1053247172 /nfs/dbraw/zinc/24/71/72/1053247172.db2.gz MCGZUDYECDFPHZ-JTQLQIEISA-N -1 3 323.186 4.309 20 0 DIADHM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C2 ZINC001319571742 1053252256 /nfs/dbraw/zinc/25/22/56/1053252256.db2.gz KNWUAPPSASOSFI-HNNXBMFYSA-N -1 3 319.813 4.010 20 0 DIADHM [O-]c1cccc(O[C@H]2CCc3cc(F)ccc32)c1Br ZINC001229141857 1053257584 /nfs/dbraw/zinc/25/75/84/1053257584.db2.gz NATRQDINBOZQLR-ZDUSSCGKSA-N -1 3 323.161 4.360 20 0 DIADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1F ZINC001319748296 1053269532 /nfs/dbraw/zinc/26/95/32/1053269532.db2.gz NDEXXQAQERDGNV-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H](C)C(F)(F)F)c2)cc1 ZINC001229539709 1053348897 /nfs/dbraw/zinc/34/88/97/1053348897.db2.gz WYXLBISDJSIYEW-NSHDSACASA-N -1 3 324.298 4.261 20 0 DIADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)c1cccnc1Cl ZINC001229563435 1053352964 /nfs/dbraw/zinc/35/29/64/1053352964.db2.gz ADWSDABRZWTLQN-ZETCQYMHSA-N -1 3 323.830 4.168 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2F)C2CCC2)c([O-])c1 ZINC001545735113 1053361106 /nfs/dbraw/zinc/36/11/06/1053361106.db2.gz MOEKKNAZJDAVKY-UHFFFAOYSA-N -1 3 313.372 4.035 20 0 DIADHM CC1(C)CC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001545853612 1053368010 /nfs/dbraw/zinc/36/80/10/1053368010.db2.gz PQZWOFAHPMGTPH-QGZVFWFLSA-N -1 3 323.436 4.292 20 0 DIADHM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc([O-])c1F ZINC001545835974 1053368463 /nfs/dbraw/zinc/36/84/63/1053368463.db2.gz WSYGADHXKAXLQA-VHSXEESVSA-N -1 3 319.298 4.229 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@H](C)C2CC2)c1 ZINC001229807298 1053406646 /nfs/dbraw/zinc/40/66/46/1053406646.db2.gz IZNDTPYJWBJNDB-GFCCVEGCSA-N -1 3 314.381 4.242 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@@H]2C=CCC2)c1 ZINC001229811683 1053408622 /nfs/dbraw/zinc/40/86/22/1053408622.db2.gz TUMJQWZOULJULH-CQSZACIVSA-N -1 3 312.365 4.162 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)c([O-])c1 ZINC000619622745 1053518949 /nfs/dbraw/zinc/51/89/49/1053518949.db2.gz KGTVOOWZUCUECM-UHFFFAOYSA-N -1 3 309.409 4.143 20 0 DIADHM Cc1cccc(C(C)C)c1NC(=S)Nc1cncc([O-])c1 ZINC001200392905 1053625499 /nfs/dbraw/zinc/62/54/99/1053625499.db2.gz DPUWKSSAMAHYNA-UHFFFAOYSA-N -1 3 301.415 4.028 20 0 DIADHM CC[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC001435744042 1053660759 /nfs/dbraw/zinc/66/07/59/1053660759.db2.gz PILJACNQLWTOSU-OAHLLOKOSA-N -1 3 320.772 4.362 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1F)c1scnc1C(F)F ZINC001353773015 1053665371 /nfs/dbraw/zinc/66/53/71/1053665371.db2.gz ARXBKRJYPMYJIA-UHFFFAOYSA-N -1 3 306.696 4.126 20 0 DIADHM O=c1nc2cccc(F)c2c(O[C@H](c2ccccc2)C2CC2)[n-]1 ZINC001231075517 1053669842 /nfs/dbraw/zinc/66/98/42/1053669842.db2.gz DMZMLJHTTNYUAV-MRXNPFEDSA-N -1 3 310.328 4.005 20 0 DIADHM CCC(=O)[C@H](CC)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224107 1053706618 /nfs/dbraw/zinc/70/66/18/1053706618.db2.gz WFBWBWDNEUAQDW-HNNXBMFYSA-N -1 3 300.354 4.321 20 0 DIADHM CC1(C)CCc2ccccc2[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC001436016498 1053753623 /nfs/dbraw/zinc/75/36/23/1053753623.db2.gz KVANYAAIOULCPA-GFCCVEGCSA-N -1 3 317.326 4.107 20 0 DIADHM CCN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(Cl)c1 ZINC001231465633 1053757025 /nfs/dbraw/zinc/75/70/25/1053757025.db2.gz NFMNCJOYNRWVCN-UHFFFAOYSA-N -1 3 309.818 4.122 20 0 DIADHM [O-]c1cc(NC(=S)Nc2ccc(F)c(Cl)c2)ccc1F ZINC001200587844 1053792911 /nfs/dbraw/zinc/79/29/11/1053792911.db2.gz LYQWPYRGRDOJTB-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001300560091 1053809984 /nfs/dbraw/zinc/80/99/84/1053809984.db2.gz INVMDOBZFCEQPP-NRFANRHFSA-N -1 3 323.436 4.328 20 0 DIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1CC1CC1 ZINC001329069248 1053963644 /nfs/dbraw/zinc/96/36/44/1053963644.db2.gz DFLOZTLEJJPMBM-UHFFFAOYSA-N -1 3 318.804 4.126 20 0 DIADHM Cc1ccccc1CSCc1nnc(-c2ccccc2[O-])o1 ZINC001472917307 1054027771 /nfs/dbraw/zinc/02/77/71/1054027771.db2.gz FESZALZIHOKKRL-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM CN(Cc1ccc(Cl)c([O-])c1Cl)CC1CC(F)(F)C1 ZINC001232626876 1054089507 /nfs/dbraw/zinc/08/95/07/1054089507.db2.gz CAWJKGWQWLCISO-UHFFFAOYSA-N -1 3 310.171 4.176 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H](Oc3ccccc3)C2)c1Cl ZINC001232786632 1054119635 /nfs/dbraw/zinc/11/96/35/1054119635.db2.gz CLYWIVZOSOLXOW-MRXNPFEDSA-N -1 3 317.816 4.089 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2cccc([O-])c2Cl)cn1 ZINC001232788759 1054121064 /nfs/dbraw/zinc/12/10/64/1054121064.db2.gz MNTLUXHZSKDIRU-OAHLLOKOSA-N -1 3 302.805 4.086 20 0 DIADHM CCCN(CC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622276737 1054143097 /nfs/dbraw/zinc/14/30/97/1054143097.db2.gz FZBUPJOIVQXXOD-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM [O-]c1cnc(Cl)cc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001233037663 1054173572 /nfs/dbraw/zinc/17/35/72/1054173572.db2.gz DHIHPJKUCHEEFT-LBPRGKRZSA-N -1 3 323.223 4.084 20 0 DIADHM [O-]c1cnc(Cl)cc1CN1CCCC[C@@H]1c1ccccc1 ZINC001233032778 1054175558 /nfs/dbraw/zinc/17/55/58/1054175558.db2.gz SRNFPONPPSMGQJ-OAHLLOKOSA-N -1 3 302.805 4.168 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1F ZINC001233054807 1054176849 /nfs/dbraw/zinc/17/68/49/1054176849.db2.gz ZJOAQQWCIARVMF-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM CN(Cc1ccc(C(F)(F)F)cc1)Cc1cccc([O-])c1F ZINC001233057423 1054179592 /nfs/dbraw/zinc/17/95/92/1054179592.db2.gz MCRSKRKUTNWZHQ-UHFFFAOYSA-N -1 3 313.294 4.182 20 0 DIADHM C[C@@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622372979 1054188870 /nfs/dbraw/zinc/18/88/70/1054188870.db2.gz APTFGGQFEPIAKH-MRXNPFEDSA-N -1 3 323.436 4.388 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)c1[O-] ZINC000622406502 1054205053 /nfs/dbraw/zinc/20/50/53/1054205053.db2.gz XHVVTKGCWSFRHH-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM CC1(C)CCCC[C@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622430284 1054219541 /nfs/dbraw/zinc/21/95/41/1054219541.db2.gz XOWRGGYECRYVKE-CYBMUJFWSA-N -1 3 315.335 4.110 20 0 DIADHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1cnoc1C(C)C ZINC001336051591 1054230214 /nfs/dbraw/zinc/23/02/14/1054230214.db2.gz ASEYPIIWODHAHR-UHFFFAOYSA-N -1 3 302.305 4.244 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1cc(Cl)sc1Cl ZINC001336052787 1054230627 /nfs/dbraw/zinc/23/06/27/1054230627.db2.gz JCWVVUOJRMTLRZ-UHFFFAOYSA-N -1 3 305.186 4.419 20 0 DIADHM COc1ccc(CN2CCc3ccccc3[C@@H]2C)c(Cl)c1[O-] ZINC001233397858 1054258495 /nfs/dbraw/zinc/25/84/95/1054258495.db2.gz ODERXYUKLFHHEA-LBPRGKRZSA-N -1 3 317.816 4.174 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001233394046 1054261425 /nfs/dbraw/zinc/26/14/25/1054261425.db2.gz XHVCLQXVZFLIOH-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM COc1ccc(CN2Cc3ccccc3C[C@@H]2C)c(Cl)c1[O-] ZINC001233401327 1054264137 /nfs/dbraw/zinc/26/41/37/1054264137.db2.gz VQNXWIGKGUBTTR-LBPRGKRZSA-N -1 3 317.816 4.001 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000622514013 1054268994 /nfs/dbraw/zinc/26/89/94/1054268994.db2.gz ISIPPDOJSPKJBW-HNNXBMFYSA-N -1 3 301.430 4.133 20 0 DIADHM CCc1cccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1[O-] ZINC000622562771 1054282606 /nfs/dbraw/zinc/28/26/06/1054282606.db2.gz OVMODEWBIQBTSI-KRWDZBQOSA-N -1 3 309.409 4.355 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000622582962 1054291833 /nfs/dbraw/zinc/29/18/33/1054291833.db2.gz GQBWGHQSTPCEIR-LBPRGKRZSA-N -1 3 311.372 4.071 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CCc2ccccc2O1 ZINC001233592092 1054303303 /nfs/dbraw/zinc/30/33/03/1054303303.db2.gz JKEYUBPZSJJDSE-ZDUSSCGKSA-N -1 3 304.773 4.127 20 0 DIADHM CC/C=C\CCOC(=O)[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592297 1054304420 /nfs/dbraw/zinc/30/44/20/1054304420.db2.gz KWCQLJBYXRJRER-FJOGCWAESA-N -1 3 312.793 4.021 20 0 DIADHM COc1cccc(OC[C@@H](C)Oc2cc(Cl)c([O-])cc2C)c1 ZINC001233592822 1054305403 /nfs/dbraw/zinc/30/54/03/1054305403.db2.gz PVRSCLCONKFBOE-GFCCVEGCSA-N -1 3 322.788 4.209 20 0 DIADHM [O-]c1coc2ccc(O[C@H]3Cc4cccc5cccc3c45)cc12 ZINC001233678527 1054329613 /nfs/dbraw/zinc/32/96/13/1054329613.db2.gz UXIJZIWMQMYGIT-IBGZPJMESA-N -1 3 302.329 4.091 20 0 DIADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC(C)(C)C1 ZINC000622696568 1054330221 /nfs/dbraw/zinc/33/02/21/1054330221.db2.gz QPNCXPMQZHQFEE-UHFFFAOYSA-N -1 3 323.436 4.244 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(Cl)nc1Cl ZINC000072526529 1054338597 /nfs/dbraw/zinc/33/85/97/1054338597.db2.gz RTLWLHVNQSDDND-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CC(C)(F)c1cc([N-]C(=O)c2cc(F)c(Cl)cc2F)no1 ZINC001440295436 1054348324 /nfs/dbraw/zinc/34/83/24/1054348324.db2.gz WHMYWDJDHZQXSV-UHFFFAOYSA-N -1 3 318.682 4.063 20 0 DIADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1[O-] ZINC001440404403 1054349876 /nfs/dbraw/zinc/34/98/76/1054349876.db2.gz GHQXKHLCOZNEHW-UHFFFAOYSA-N -1 3 313.397 4.259 20 0 DIADHM O=C(Nc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001440564883 1054357951 /nfs/dbraw/zinc/35/79/51/1054357951.db2.gz HTAJAYOWJLXKRD-UHFFFAOYSA-N -1 3 305.333 4.437 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001440701773 1054365805 /nfs/dbraw/zinc/36/58/05/1054365805.db2.gz AKHFHCMWFRVEIA-HRCADAONSA-N -1 3 301.430 4.043 20 0 DIADHM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]OCc1ccccc1 ZINC001440905661 1054375402 /nfs/dbraw/zinc/37/54/02/1054375402.db2.gz YQSGRTNMAWXFBC-UHFFFAOYSA-N -1 3 317.816 4.157 20 0 DIADHM COc1ccccc1[C@@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233870515 1054379026 /nfs/dbraw/zinc/37/90/26/1054379026.db2.gz DXJHCQKOELLTQX-CQSZACIVSA-N -1 3 316.250 4.222 20 0 DIADHM CCc1ccc(C(=O)N(C)CCCCc2ccccc2)c([O-])c1 ZINC001441676030 1054396444 /nfs/dbraw/zinc/39/64/44/1054396444.db2.gz XXMBPKWZBUIDDD-UHFFFAOYSA-N -1 3 311.425 4.050 20 0 DIADHM CCc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c([O-])c1 ZINC001443768839 1054457766 /nfs/dbraw/zinc/45/77/66/1054457766.db2.gz GVJQZHWGACSETL-IBGZPJMESA-N -1 3 311.425 4.390 20 0 DIADHM [O-]c1ccc(Cl)c(OC2CCN(c3ccccc3)CC2)c1F ZINC001234263046 1054477554 /nfs/dbraw/zinc/47/75/54/1054477554.db2.gz PHJRFXLGUNAJBL-UHFFFAOYSA-N -1 3 321.779 4.233 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@H]2CCCN(c3ccccc3)C2)c1F ZINC001234266156 1054480014 /nfs/dbraw/zinc/48/00/14/1054480014.db2.gz ZEJCFPFBIXTMNT-ZDUSSCGKSA-N -1 3 321.779 4.233 20 0 DIADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444677512 1054483012 /nfs/dbraw/zinc/48/30/12/1054483012.db2.gz LLRPKDVAJHKGQD-JKSUJKDBSA-N -1 3 323.436 4.244 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001445322345 1054502908 /nfs/dbraw/zinc/50/29/08/1054502908.db2.gz GUEOSGGTMWVXTD-OAQYLSRUSA-N -1 3 323.436 4.186 20 0 DIADHM CC(C)(C)C1CCC(=CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001445885942 1054520162 /nfs/dbraw/zinc/52/01/62/1054520162.db2.gz CGZQLXHKDAWAEQ-UHFFFAOYSA-N -1 3 319.420 4.310 20 0 DIADHM Cc1ccccc1OC[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443512 1054524732 /nfs/dbraw/zinc/52/47/32/1054524732.db2.gz HWGLUBMQYYTQQF-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM COc1ccc([C@H](C)Oc2c([O-])cc(Cl)cc2F)c(F)c1 ZINC001234443267 1054525010 /nfs/dbraw/zinc/52/50/10/1054525010.db2.gz FEKUYBHOWOXGML-QMMMGPOBSA-N -1 3 314.715 4.472 20 0 DIADHM Cc1ccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CCC2)cc1 ZINC001446530252 1054540277 /nfs/dbraw/zinc/54/02/77/1054540277.db2.gz VVGALZSGJOQMOZ-UHFFFAOYSA-N -1 3 315.800 4.414 20 0 DIADHM Cc1ccc(F)c2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc21 ZINC001546000633 1054576649 /nfs/dbraw/zinc/57/66/49/1054576649.db2.gz WFTFJXSSAAHARW-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cccc(F)c1 ZINC001234688552 1054576933 /nfs/dbraw/zinc/57/69/33/1054576933.db2.gz IEMLLXIMQBDDFN-GFCCVEGCSA-N -1 3 310.328 4.128 20 0 DIADHM Cc1ccc(C[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001546000754 1054579040 /nfs/dbraw/zinc/57/90/40/1054579040.db2.gz ZYISTLZKPTYPRS-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM CCCN(Cc1c(Br)ccc([O-])c1F)[C@H](C)CC ZINC001238304577 1054602590 /nfs/dbraw/zinc/60/25/90/1054602590.db2.gz GBOLQSHKWZRTDU-SNVBAGLBSA-N -1 3 318.230 4.304 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)CCC=C(C)C)c1C(C)=O ZINC001234790461 1054591174 /nfs/dbraw/zinc/59/11/74/1054591174.db2.gz HOVNHOLOBVGXDC-LBPRGKRZSA-N -1 3 306.402 4.426 20 0 DIADHM c1cc2nc(O[C@@H](c3ccccc3)C3CCOCC3)[n-]c2s1 ZINC001234847409 1054599004 /nfs/dbraw/zinc/59/90/04/1054599004.db2.gz JCIGIDMMPWSAKM-HNNXBMFYSA-N -1 3 314.410 4.171 20 0 DIADHM c1cc2[n-]c(O[C@@H](c3ccccc3)C3CCOCC3)nc2s1 ZINC001234847409 1054599016 /nfs/dbraw/zinc/59/90/16/1054599016.db2.gz JCIGIDMMPWSAKM-HNNXBMFYSA-N -1 3 314.410 4.171 20 0 DIADHM CCCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CCCCC1 ZINC001450299250 1054643357 /nfs/dbraw/zinc/64/33/57/1054643357.db2.gz BWKLNBCJISHCFJ-UHFFFAOYSA-N -1 3 317.429 4.170 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)c([O-])c1 ZINC001450464774 1054650340 /nfs/dbraw/zinc/65/03/40/1054650340.db2.gz KIMDAEPPQGNUIU-JOCQHMNTSA-N -1 3 315.800 4.030 20 0 DIADHM C[C@H](C1CC1)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179420014 1054681197 /nfs/dbraw/zinc/68/11/97/1054681197.db2.gz OMLOXAKENDEVHP-CYBMUJFWSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc(N(CC(C)C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001451722546 1054684758 /nfs/dbraw/zinc/68/47/58/1054684758.db2.gz KATUGHKFCLMCLS-UHFFFAOYSA-N -1 3 315.388 4.071 20 0 DIADHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1ccccn1 ZINC001451789028 1054687834 /nfs/dbraw/zinc/68/78/34/1054687834.db2.gz OPWLSNGZXFRPIN-CYBMUJFWSA-N -1 3 324.758 4.094 20 0 DIADHM CC(C)Sc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000179650767 1054694459 /nfs/dbraw/zinc/69/44/59/1054694459.db2.gz JHEYNEFJADTUDJ-UHFFFAOYSA-N -1 3 305.374 4.284 20 0 DIADHM Clc1cccc(-c2ccc(C[N-]c3nnco3)o2)c1Cl ZINC000508493056 1054698662 /nfs/dbraw/zinc/69/86/62/1054698662.db2.gz ZCYRSVLIZYEZNA-UHFFFAOYSA-N -1 3 310.140 4.249 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001299248368 1054706555 /nfs/dbraw/zinc/70/65/55/1054706555.db2.gz JTBYHMSRJFVDCL-KBPBESRZSA-N -1 3 307.459 4.059 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299248601 1054709534 /nfs/dbraw/zinc/70/95/34/1054709534.db2.gz KGMKHKAGNNRZSA-JKSUJKDBSA-N -1 3 303.446 4.460 20 0 DIADHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001299248652 1054709629 /nfs/dbraw/zinc/70/96/29/1054709629.db2.gz LBVVELSYMHGULH-DLBZAZTESA-N -1 3 311.425 4.490 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(C)c(SC)c2)c([O-])c1 ZINC001452744864 1054714741 /nfs/dbraw/zinc/71/47/41/1054714741.db2.gz NNRBPCZQYMDWQQ-UHFFFAOYSA-N -1 3 301.411 4.237 20 0 DIADHM O=C(NC1CC2(CCC2)C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001452759947 1054716336 /nfs/dbraw/zinc/71/63/36/1054716336.db2.gz UTRKFPRPKXDZHA-UHFFFAOYSA-N -1 3 321.420 4.046 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCc2ccc(C(C)C)cc2C1 ZINC001452972342 1054723087 /nfs/dbraw/zinc/72/30/87/1054723087.db2.gz CDMNGMMJCISRDS-UHFFFAOYSA-N -1 3 309.409 4.023 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(Cl)cc(C)c2OC)c1[O-] ZINC001453646131 1054742309 /nfs/dbraw/zinc/74/23/09/1054742309.db2.gz DMJCJFHHYQHBCW-UHFFFAOYSA-N -1 3 319.788 4.177 20 0 DIADHM CCCC[C@H](CC)CCCN(C)C(=O)c1ccc(OC)cc1[O-] ZINC001453692269 1054744894 /nfs/dbraw/zinc/74/48/94/1054744894.db2.gz DFQQKJNPXLJILJ-HNNXBMFYSA-N -1 3 321.461 4.469 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC2CCC2)c1 ZINC001453883491 1054749520 /nfs/dbraw/zinc/74/95/20/1054749520.db2.gz NJMJKXLEEOMHQZ-INIZCTEOSA-N -1 3 301.430 4.140 20 0 DIADHM CC1(C)C[C@]1(C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001453891579 1054751660 /nfs/dbraw/zinc/75/16/60/1054751660.db2.gz OKWFKGKRTGUULN-IBGZPJMESA-N -1 3 311.381 4.103 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](c2ccccn2)C(C)C)c([O-])c1 ZINC001454298243 1054761099 /nfs/dbraw/zinc/76/10/99/1054761099.db2.gz TXAYYHKXMAUMJJ-SFHVURJKSA-N -1 3 312.413 4.038 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c1[O-] ZINC001454287496 1054761830 /nfs/dbraw/zinc/76/18/30/1054761830.db2.gz XZVYGLLOTXALMS-UHFFFAOYSA-N -1 3 309.365 4.137 20 0 DIADHM O=C(N[C@]12C[C@H]1CCCC2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001454706714 1054780755 /nfs/dbraw/zinc/78/07/55/1054780755.db2.gz OREKCWXEGQXLPJ-DYESRHJHSA-N -1 3 321.420 4.046 20 0 DIADHM O=C([N-]c1cnoc1)c1sc2cccc(Cl)c2c1Cl ZINC000623940899 1054830618 /nfs/dbraw/zinc/83/06/18/1054830618.db2.gz QAWIJZVQVQJZLR-UHFFFAOYSA-N -1 3 313.165 4.448 20 0 DIADHM COc1cccc(-c2ccc(-c3cc([O-])cc(Cl)c3)nn2)c1 ZINC001235898843 1054836814 /nfs/dbraw/zinc/83/68/14/1054836814.db2.gz FHFLHBUXMUDKDR-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM Cc1nc(C(F)(F)F)nc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235898117 1054836945 /nfs/dbraw/zinc/83/69/45/1054836945.db2.gz AOENXMPWBJARNB-UHFFFAOYSA-N -1 3 302.683 4.138 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC001235899703 1054837144 /nfs/dbraw/zinc/83/71/44/1054837144.db2.gz JLJRVDXCUPPCHK-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM COc1ccc(C(F)(F)F)nc1-c1cc([O-])cc(Cl)c1 ZINC001235898166 1054837631 /nfs/dbraw/zinc/83/76/31/1054837631.db2.gz BRPYTIMDLHWONH-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM CSc1ccc2ncnc(-c3cc([O-])cc(Cl)c3)c2c1 ZINC001235898708 1054837825 /nfs/dbraw/zinc/83/78/25/1054837825.db2.gz BSVLVDKBJLEFEL-UHFFFAOYSA-N -1 3 302.786 4.378 20 0 DIADHM CC[C@@H](C)c1nc2[nH]ccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235903648 1054839566 /nfs/dbraw/zinc/83/95/66/1054839566.db2.gz FROJRZXCWJWQGS-SECBINFHSA-N -1 3 301.777 4.449 20 0 DIADHM CSc1nc2ccnc(-c3cc([O-])cc(Cl)c3)c2s1 ZINC001235900221 1054839835 /nfs/dbraw/zinc/83/98/35/1054839835.db2.gz LYGSQUWKPNKDEM-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cncc(-c3ccc(F)cc3)n2)c1 ZINC001235901720 1054840762 /nfs/dbraw/zinc/84/07/62/1054840762.db2.gz XOBJPNOBIYERTA-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM COc1ncc(C(F)(F)F)cc1-c1cc([O-])cc(Cl)c1 ZINC001235907230 1054844217 /nfs/dbraw/zinc/84/42/17/1054844217.db2.gz VPNIDCMBCNIMDN-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM Cc1ccc(-c2ccc(OC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC001235926947 1054851057 /nfs/dbraw/zinc/85/10/57/1054851057.db2.gz DMDHTMHHZWDFPY-UHFFFAOYSA-N -1 3 308.385 4.019 20 0 DIADHM Cc1ccc(-c2ccc(OC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC001235926947 1054851063 /nfs/dbraw/zinc/85/10/63/1054851063.db2.gz DMDHTMHHZWDFPY-UHFFFAOYSA-N -1 3 308.385 4.019 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1c(F)cc(F)cc1F ZINC001536492062 1055115251 /nfs/dbraw/zinc/11/52/51/1055115251.db2.gz VAYXNTPTUBVRKM-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM O=c1ccnc(C=Cc2csc(-c3ccc(Cl)cc3)n2)[n-]1 ZINC000764433085 1055184418 /nfs/dbraw/zinc/18/44/18/1055184418.db2.gz BZXPXCHDPIUVMP-AATRIKPKSA-N -1 3 315.785 4.130 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H]2c2c(F)cccc2F)ccc1F ZINC001236707559 1055237985 /nfs/dbraw/zinc/23/79/85/1055237985.db2.gz HXVFLHSEAYOSMJ-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cc(CN2CCC(c3ccc(F)cc3F)CC2)ccc1F ZINC001236712340 1055238231 /nfs/dbraw/zinc/23/82/31/1055238231.db2.gz CGTFUOZRVAXQEQ-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1ccc(F)c([O-])c1 ZINC001236708755 1055238609 /nfs/dbraw/zinc/23/86/09/1055238609.db2.gz SWFKTZKNSCDBOE-QGZVFWFLSA-N -1 3 315.388 4.015 20 0 DIADHM CCC(F)(F)c1ccccc1NC(=O)c1ccc(C)cc1[O-] ZINC001587752821 1055359629 /nfs/dbraw/zinc/35/96/29/1055359629.db2.gz XQKHIXHSJFAIEZ-UHFFFAOYSA-N -1 3 305.324 4.455 20 0 DIADHM Cc1cccc(CN(Cc2sc(=O)[n-]c2Cl)C2CC2)c1C ZINC001237153297 1055386168 /nfs/dbraw/zinc/38/61/68/1055386168.db2.gz CRXCMZBIZDOIRW-UHFFFAOYSA-N -1 3 322.861 4.284 20 0 DIADHM [S-]c1ccoc1CN(Cc1ccccc1)Cc1ccccn1 ZINC001237181511 1055394666 /nfs/dbraw/zinc/39/46/66/1055394666.db2.gz OCYSDCAUCIMJSY-UHFFFAOYSA-N -1 3 310.422 4.166 20 0 DIADHM FC(F)(F)c1cccc2c1CN(Cc1occc1[S-])CC2 ZINC001237185279 1055395464 /nfs/dbraw/zinc/39/54/64/1055395464.db2.gz VWZWYEKHDWYKSW-UHFFFAOYSA-N -1 3 313.344 4.145 20 0 DIADHM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(C)C)c([O-])c1 ZINC001587959188 1055406505 /nfs/dbraw/zinc/40/65/05/1055406505.db2.gz BDQFMWHBMYUASN-LJQANCHMSA-N -1 3 309.409 4.096 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1coc(C(F)F)c1 ZINC001127874826 1055407644 /nfs/dbraw/zinc/40/76/44/1055407644.db2.gz KWWXCJDUHCUFKV-UHFFFAOYSA-N -1 3 318.279 4.433 20 0 DIADHM O=C(NCc1ccccc1Cl)c1cc([O-])c2ccccc2c1 ZINC000471573576 1055428523 /nfs/dbraw/zinc/42/85/23/1055428523.db2.gz LHZSYDFKAMLQJX-UHFFFAOYSA-N -1 3 311.768 4.129 20 0 DIADHM O=C(NCc1cccc(Cl)c1)c1cc([O-])c2ccccc2c1 ZINC000471571427 1055428618 /nfs/dbraw/zinc/42/86/18/1055428618.db2.gz AZQZIFNEYHSYRQ-UHFFFAOYSA-N -1 3 311.768 4.129 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC2CCC(C(C)C)CC2)c1 ZINC001588281961 1055464254 /nfs/dbraw/zinc/46/42/54/1055464254.db2.gz XOAGGENZZUTKCS-UHFFFAOYSA-N -1 3 321.486 4.306 20 0 DIADHM CCc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000471751893 1055465004 /nfs/dbraw/zinc/46/50/04/1055465004.db2.gz VIXHRLMCEDOGMV-UHFFFAOYSA-N -1 3 311.406 4.099 20 0 DIADHM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ncccc1[O-] ZINC000022261683 1055491611 /nfs/dbraw/zinc/49/16/11/1055491611.db2.gz OSYHVRCFDCUTSC-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM COc1ccc2c(c1)[C@H](NCc1cccc([O-])c1Cl)CCC2 ZINC001620886041 1055511982 /nfs/dbraw/zinc/51/19/82/1055511982.db2.gz VPNCJNUPMGGUEV-MRXNPFEDSA-N -1 3 317.816 4.221 20 0 DIADHM C[C@H](c1cccs1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471793238 1055535239 /nfs/dbraw/zinc/53/52/39/1055535239.db2.gz MFJSXKDHCCHYCU-GFCCVEGCSA-N -1 3 311.406 4.440 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@H](Cc3ccccc3)C2)cc1Cl ZINC001237990428 1055578330 /nfs/dbraw/zinc/57/83/30/1055578330.db2.gz SLIJWUXPUWWWMB-CQSZACIVSA-N -1 3 319.807 4.249 20 0 DIADHM CCN(Cc1cccc(F)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237992271 1055578488 /nfs/dbraw/zinc/57/84/88/1055578488.db2.gz IYFFVLCIVQBLKF-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM CCN(Cc1cccc(OC)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237998955 1055582745 /nfs/dbraw/zinc/58/27/45/1055582745.db2.gz YOWOQCQDGZNABZ-UHFFFAOYSA-N -1 3 323.795 4.215 20 0 DIADHM CCN(Cc1ccc(C)cc1)C(=O)c1cc(SC)ccc1[O-] ZINC001595349968 1055590531 /nfs/dbraw/zinc/59/05/31/1055590531.db2.gz TYZNBCHZRDUBCQ-UHFFFAOYSA-N -1 3 315.438 4.085 20 0 DIADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(CC)ccc1[O-] ZINC001595389462 1055594734 /nfs/dbraw/zinc/59/47/34/1055594734.db2.gz JCWSBUSGYBAHPL-UHFFFAOYSA-N -1 3 315.388 4.146 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001595539458 1055608295 /nfs/dbraw/zinc/60/82/95/1055608295.db2.gz MLVIUWKNBSHNOD-IFXJQAMLSA-N -1 3 309.409 4.178 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC001238144848 1055611840 /nfs/dbraw/zinc/61/18/40/1055611840.db2.gz YDJBCGJEWAORIK-CYBMUJFWSA-N -1 3 305.780 4.174 20 0 DIADHM [O-]c1cc(F)c(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc1Cl ZINC001238156621 1055615265 /nfs/dbraw/zinc/61/52/65/1055615265.db2.gz UOSGLMCLFHHSEO-TXEJJXNPSA-N -1 3 317.791 4.271 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc(C)cc1[O-] ZINC001595679526 1055619324 /nfs/dbraw/zinc/61/93/24/1055619324.db2.gz SRONATPAMUFBJG-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM C[C@@H]1CCC[C@@H](C)N1Cc1c(Br)ccc([O-])c1F ZINC001238307896 1055637768 /nfs/dbraw/zinc/63/77/68/1055637768.db2.gz YNYMQXUDOVJNOQ-NXEZZACHSA-N -1 3 316.214 4.057 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2N(C)C2CCCC2)c([O-])c1 ZINC001595983679 1055657193 /nfs/dbraw/zinc/65/71/93/1055657193.db2.gz LTUKOWSUCVEJHM-UHFFFAOYSA-N -1 3 324.424 4.332 20 0 DIADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1cccs1 ZINC000472160613 1055690681 /nfs/dbraw/zinc/69/06/81/1055690681.db2.gz UGEUAXCJDJSKLI-UHFFFAOYSA-N -1 3 311.406 4.272 20 0 DIADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccccc1 ZINC000472198594 1055699086 /nfs/dbraw/zinc/69/90/86/1055699086.db2.gz RDTHZRYPUGNEKN-VBKZILBWSA-N -1 3 317.388 4.379 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000338626963 1055707527 /nfs/dbraw/zinc/70/75/27/1055707527.db2.gz PAZGUOQXRBVFGJ-UHFFFAOYSA-N -1 3 324.475 4.103 20 0 DIADHM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001565740607 1055723374 /nfs/dbraw/zinc/72/33/74/1055723374.db2.gz GLBWPMPQGHHJPH-RGYTYGDFSA-N -1 3 315.800 4.173 20 0 DIADHM C[C@H]1CCCC[C@@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565749232 1055726424 /nfs/dbraw/zinc/72/64/24/1055726424.db2.gz CKGISNFDBBFIDQ-GOEBONIOSA-N -1 3 321.436 4.187 20 0 DIADHM Cc1sc(NC(=O)c2cc(C)ccc2[O-])nc1-c1ccccc1 ZINC001596639755 1055730354 /nfs/dbraw/zinc/73/03/54/1055730354.db2.gz KYZMQJXDOVELCD-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c([O-])c1 ZINC001566219395 1055752620 /nfs/dbraw/zinc/75/26/20/1055752620.db2.gz ZUIMHHSJTJLUGG-BBRMVZONSA-N -1 3 303.446 4.460 20 0 DIADHM CCC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001566240683 1055754630 /nfs/dbraw/zinc/75/46/30/1055754630.db2.gz PELVQLDXUNQOBB-UHFFFAOYSA-N -1 3 309.409 4.046 20 0 DIADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H]1c1ccccc1 ZINC001596967226 1055767864 /nfs/dbraw/zinc/76/78/64/1055767864.db2.gz BDNFNAZIMLUKER-DYVFJYSZSA-N -1 3 301.773 4.178 20 0 DIADHM Cc1ccc2nc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2c1 ZINC001596967403 1055768792 /nfs/dbraw/zinc/76/87/92/1055768792.db2.gz IUZHLZBXGXJDGF-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)(C)c1csc(C(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC001566638523 1055777834 /nfs/dbraw/zinc/77/78/34/1055777834.db2.gz GJPBJSBFVFPXAH-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM C/C(=C/C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001567235100 1055795776 /nfs/dbraw/zinc/79/57/76/1055795776.db2.gz SNNCEHJAPFTLTG-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCc3sccc32)c([O-])c1 ZINC001567303803 1055797625 /nfs/dbraw/zinc/79/76/25/1055797625.db2.gz GXXLYWOOMAVLOY-OAHLLOKOSA-N -1 3 315.438 4.385 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c([O-])c1 ZINC001597230514 1055804995 /nfs/dbraw/zinc/80/49/95/1055804995.db2.gz CMIYUGXPTCLPDV-ZDUSSCGKSA-N -1 3 315.388 4.016 20 0 DIADHM CC(C)Oc1ccc(-c2ccc(=S)[n-]n2)cc1C(F)(F)F ZINC001238999860 1055818059 /nfs/dbraw/zinc/81/80/59/1055818059.db2.gz MYGFQRUTIBQVQP-UHFFFAOYSA-N -1 3 314.332 4.238 20 0 DIADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OC1CCCCC1 ZINC001567890030 1055825101 /nfs/dbraw/zinc/82/51/01/1055825101.db2.gz WDKKSAABZMVLKT-UHFFFAOYSA-N -1 3 301.430 4.267 20 0 DIADHM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OC1CCCCC1 ZINC001567889830 1055824938 /nfs/dbraw/zinc/82/49/38/1055824938.db2.gz OYOWELLVEKSIEO-UHFFFAOYSA-N -1 3 316.228 4.307 20 0 DIADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c([O-])c1 ZINC001597528759 1055843305 /nfs/dbraw/zinc/84/33/05/1055843305.db2.gz SAGJPBVOJUTTRM-GOSISDBHSA-N -1 3 309.409 4.178 20 0 DIADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000061622496 1055870686 /nfs/dbraw/zinc/87/06/86/1055870686.db2.gz VYEWKGVFDJKWDT-UHFFFAOYSA-N -1 3 324.833 4.360 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCc3ccccc32)c([O-])c1 ZINC001569849766 1055875022 /nfs/dbraw/zinc/87/50/22/1055875022.db2.gz KJBPTYPCRMMJEW-MRXNPFEDSA-N -1 3 323.436 4.366 20 0 DIADHM CC(=O)c1cccc(NC(=O)/C(C)=C\C2CCC(C)CC2)c1[O-] ZINC001569928451 1055877635 /nfs/dbraw/zinc/87/76/35/1055877635.db2.gz UUTPJCNLDATKAJ-QBFSEMIESA-N -1 3 315.413 4.306 20 0 DIADHM CCC(C)(C)C1CCC(CC(=O)[N-]OC/C=C\Cl)CC1 ZINC001570047632 1055883676 /nfs/dbraw/zinc/88/36/76/1055883676.db2.gz LMMSORGFKNPZIJ-YHYXMXQVSA-N -1 3 301.858 4.419 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1[O-] ZINC001597939738 1055895607 /nfs/dbraw/zinc/89/56/07/1055895607.db2.gz DAIPRZJVDVQXKM-LBPRGKRZSA-N -1 3 317.351 4.052 20 0 DIADHM Cc1ccc2c(c1)CCN(C(=O)c1cc3sccc3c([O-])c1)C2 ZINC001570489619 1055906034 /nfs/dbraw/zinc/90/60/34/1055906034.db2.gz SLKRKRXBDPDWFE-UHFFFAOYSA-N -1 3 323.417 4.114 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](CC)c2ccc(C)c(F)c2)c([O-])c1 ZINC001598045376 1055908109 /nfs/dbraw/zinc/90/81/09/1055908109.db2.gz UIGJPTOJVQUAJQ-KRWDZBQOSA-N -1 3 315.388 4.283 20 0 DIADHM O=C(NCc1ccccc1Oc1ccccc1)c1ccccc1[O-] ZINC001598143783 1055918429 /nfs/dbraw/zinc/91/84/29/1055918429.db2.gz AXINOTXVARBZPR-UHFFFAOYSA-N -1 3 319.360 4.115 20 0 DIADHM O=C(O[C@@H]1CCCc2cc(F)ccc21)c1cccc(Cl)c1[O-] ZINC001539992664 1055948827 /nfs/dbraw/zinc/94/88/27/1055948827.db2.gz JUNIPPBRSKQKNO-OAHLLOKOSA-N -1 3 320.747 4.419 20 0 DIADHM Fc1cc(OCc2ccccc2)ccc1-c1ccc(=S)[n-]n1 ZINC001239735249 1056046394 /nfs/dbraw/zinc/04/63/94/1056046394.db2.gz UIIMJIWNYIRYDY-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM O=C(CCCc1ccc(C2CC2)cc1)[N-]OCc1ccccc1 ZINC001540601027 1056049399 /nfs/dbraw/zinc/04/93/99/1056049399.db2.gz JYWSAJVDNFUSEQ-UHFFFAOYSA-N -1 3 309.409 4.135 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001540689426 1056062565 /nfs/dbraw/zinc/06/25/65/1056062565.db2.gz LACGKXVFEVRODU-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1[O-] ZINC001540781018 1056076553 /nfs/dbraw/zinc/07/65/53/1056076553.db2.gz BLLMCPOBUVYRCG-UHFFFAOYSA-N -1 3 321.779 4.237 20 0 DIADHM COc1ccc2cc(-c3ccc(-c4nnn[n-]4)cc3C)ccc2c1 ZINC001239843623 1056104075 /nfs/dbraw/zinc/10/40/75/1056104075.db2.gz RIGAKKBYEPXPSW-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc2cc(-c3ccc(-c4nn[n-]n4)cc3C)ccc2c1 ZINC001239843623 1056104081 /nfs/dbraw/zinc/10/40/81/1056104081.db2.gz RIGAKKBYEPXPSW-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)CC(C)(C)C2)c([O-])c1 ZINC001611089427 1056106864 /nfs/dbraw/zinc/10/68/64/1056106864.db2.gz FCWVKYIHDOXQDP-UHFFFAOYSA-N -1 3 303.446 4.414 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001542375405 1056118877 /nfs/dbraw/zinc/11/88/77/1056118877.db2.gz XFPKEKDHOYOFSU-UHFFFAOYSA-N -1 3 301.430 4.138 20 0 DIADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001583619466 1056120257 /nfs/dbraw/zinc/12/02/57/1056120257.db2.gz ZVGJOXQCOHMFNO-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(F)ccc2OC(C)C)c([O-])c1C ZINC001611293555 1056136469 /nfs/dbraw/zinc/13/64/69/1056136469.db2.gz UGKCJIGPADLTGX-UHFFFAOYSA-N -1 3 317.360 4.188 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001542631432 1056148157 /nfs/dbraw/zinc/14/81/57/1056148157.db2.gz YHOFMPQORILFCZ-HOCLYGCPSA-N -1 3 303.446 4.283 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C(C)C)C2CC(C)(C)C2)c1 ZINC000616154634 1056177960 /nfs/dbraw/zinc/17/79/60/1056177960.db2.gz NAMSUJLLXAJKKI-UHFFFAOYSA-N -1 3 307.459 4.153 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 ZINC001543168733 1056183310 /nfs/dbraw/zinc/18/33/10/1056183310.db2.gz KXIQZLPTXJDWQW-UHFFFAOYSA-N -1 3 311.425 4.350 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2OCC(C)C)c([O-])c1 ZINC001543275842 1056194173 /nfs/dbraw/zinc/19/41/73/1056194173.db2.gz KDZJRSSIWKTIQH-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM CCOc1ccc2cc(-c3ccccc3-c3nnn[n-]3)ccc2c1 ZINC001239957775 1056195564 /nfs/dbraw/zinc/19/55/64/1056195564.db2.gz YLJBMDNWSUQEBN-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM CCOc1ccc2cc(-c3ccccc3-c3nn[n-]n3)ccc2c1 ZINC001239957775 1056195568 /nfs/dbraw/zinc/19/55/68/1056195568.db2.gz YLJBMDNWSUQEBN-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM CCCCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C ZINC001543441852 1056222743 /nfs/dbraw/zinc/22/27/43/1056222743.db2.gz LVQSYZONJWCMOA-QGZVFWFLSA-N -1 3 319.445 4.320 20 0 DIADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc([O-])c2ccccc2c1 ZINC001543530791 1056245573 /nfs/dbraw/zinc/24/55/73/1056245573.db2.gz GLLBGZWWZYYESF-CKEIUWERSA-N -1 3 309.409 4.244 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1 ZINC001543553098 1056250994 /nfs/dbraw/zinc/25/09/94/1056250994.db2.gz LZZLZXZGPWIDHV-OAHLLOKOSA-N -1 3 311.425 4.405 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccccc2)CC2CCC2)c1[O-] ZINC001543665561 1056274741 /nfs/dbraw/zinc/27/47/41/1056274741.db2.gz VRLLTTOGFAXEHP-UHFFFAOYSA-N -1 3 323.436 4.397 20 0 DIADHM O=c1[n-]c(N[C@@H]2CCNc3ccccc32)c(Cl)cc1Cl ZINC001168638043 1056296395 /nfs/dbraw/zinc/29/63/95/1056296395.db2.gz HDJHSTPDQJUWFI-GFCCVEGCSA-N -1 3 310.184 4.063 20 0 DIADHM [O-]c1ccccc1Sc1nc(-c2cc(F)cc(F)c2)ns1 ZINC001612715704 1056321797 /nfs/dbraw/zinc/32/17/97/1056321797.db2.gz LRICTDMEIRDCSC-UHFFFAOYSA-N -1 3 322.361 4.340 20 0 DIADHM CCOc1c(Cl)cccc1NC(=O)c1cc(C)ccc1[O-] ZINC001543928096 1056327636 /nfs/dbraw/zinc/32/76/36/1056327636.db2.gz BJQVLYIPFUQHAM-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1ccc(Cl)cc1[O-] ZINC000765883884 1056353173 /nfs/dbraw/zinc/35/31/73/1056353173.db2.gz LQBHHNSNQJJCBI-KXFIGUGUSA-N -1 3 312.756 4.179 20 0 DIADHM CCc1ccc(C(=O)N2CCCCC[C@@H]2CC(C)C)c([O-])c1 ZINC001544064067 1056353540 /nfs/dbraw/zinc/35/35/40/1056353540.db2.gz BSBCYZDSORSLRE-MRXNPFEDSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)c1 ZINC001584556684 1056366110 /nfs/dbraw/zinc/36/61/10/1056366110.db2.gz HHSNQHJSECTIBD-ZDUSSCGKSA-N -1 3 309.409 4.281 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC001584637980 1056386917 /nfs/dbraw/zinc/38/69/17/1056386917.db2.gz PHIPVCORIFIIMF-UHFFFAOYSA-N -1 3 308.378 4.085 20 0 DIADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000303662251 1056398313 /nfs/dbraw/zinc/39/83/13/1056398313.db2.gz NEBLHJLRHJZWMY-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1 ZINC000014255575 1056437669 /nfs/dbraw/zinc/43/76/69/1056437669.db2.gz OWSDMBZHYRJSOT-UHFFFAOYSA-N -1 3 317.454 4.175 20 0 DIADHM CCC1(C)CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001626216449 1056453861 /nfs/dbraw/zinc/45/38/61/1056453861.db2.gz YQPUPUXGVDFSLA-UHFFFAOYSA-N -1 3 303.427 4.259 20 0 DIADHM c1ccc(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC001240384290 1056464090 /nfs/dbraw/zinc/46/40/90/1056464090.db2.gz UZMFSSAKTJIXKR-UHFFFAOYSA-N -1 3 312.376 4.125 20 0 DIADHM c1ccc(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC001240384290 1056464096 /nfs/dbraw/zinc/46/40/96/1056464096.db2.gz UZMFSSAKTJIXKR-UHFFFAOYSA-N -1 3 312.376 4.125 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC001585423538 1056552144 /nfs/dbraw/zinc/55/21/44/1056552144.db2.gz STAQDNSQBUXUHM-IBGZPJMESA-N -1 3 309.409 4.226 20 0 DIADHM O=C(Nc1cc(F)c(F)cc1F)c1cc2sccc2c([O-])c1 ZINC001585614725 1056592305 /nfs/dbraw/zinc/59/23/05/1056592305.db2.gz YRNOPXOOUKMUID-UHFFFAOYSA-N -1 3 323.295 4.277 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1ccc(C(C)=O)s1 ZINC001586052726 1056664426 /nfs/dbraw/zinc/66/44/26/1056664426.db2.gz YHVJXFLATHVOSC-UHFFFAOYSA-N -1 3 309.387 4.064 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(F)c(OC(F)F)c(F)c2)cc1F ZINC001212452267 1056672796 /nfs/dbraw/zinc/67/27/96/1056672796.db2.gz URFGPALXVMMMAF-UHFFFAOYSA-N -1 3 323.192 4.294 20 0 DIADHM COC(=O)c1cc2cc(-c3ccc([O-])c(F)c3)ccc2s1 ZINC001240785922 1056697652 /nfs/dbraw/zinc/69/76/52/1056697652.db2.gz UPHPHFDEHDBXMJ-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3ccc([O-])c(F)c3)cc2)CCC1 ZINC001240787416 1056698648 /nfs/dbraw/zinc/69/86/48/1056698648.db2.gz CWULAELFHJSACF-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM [O-]c1ccc(-c2ccnc(OCc3cccc(F)c3)c2)cc1F ZINC001240790592 1056701412 /nfs/dbraw/zinc/70/14/12/1056701412.db2.gz PSLSXSFSLYKSTJ-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC001617057083 1056766946 /nfs/dbraw/zinc/76/69/46/1056766946.db2.gz GCNZDUDLWLBIMY-HOTGVXAUSA-N -1 3 303.446 4.289 20 0 DIADHM Cc1ccc(-c2ccc(COC(C)(C)C)cc2)cc1-c1nnn[n-]1 ZINC001240943647 1056771471 /nfs/dbraw/zinc/77/14/71/1056771471.db2.gz BVLBFWPVHCYQLG-UHFFFAOYSA-N -1 3 322.412 4.157 20 0 DIADHM Cc1ccc(-c2ccc(COC(C)(C)C)cc2)cc1-c1nn[n-]n1 ZINC001240943647 1056771480 /nfs/dbraw/zinc/77/14/80/1056771480.db2.gz BVLBFWPVHCYQLG-UHFFFAOYSA-N -1 3 322.412 4.157 20 0 DIADHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001212477347 1056775162 /nfs/dbraw/zinc/77/51/62/1056775162.db2.gz CWBHHEVVSCILBU-VIFPVBQESA-N -1 3 324.273 4.096 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c1[O-] ZINC001617185201 1056790055 /nfs/dbraw/zinc/79/00/55/1056790055.db2.gz BUKGATFQUUMFPF-LJQANCHMSA-N -1 3 323.436 4.495 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1c(F)ccc(C)c1F ZINC001617330433 1056814727 /nfs/dbraw/zinc/81/47/27/1056814727.db2.gz XUIBYLQQJQDSEI-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM CCCCOc1ccccc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001241022787 1056824237 /nfs/dbraw/zinc/82/42/37/1056824237.db2.gz CWOBWPYOFZGXIJ-UHFFFAOYSA-N -1 3 308.385 4.021 20 0 DIADHM CCCCOc1ccccc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001241022787 1056824245 /nfs/dbraw/zinc/82/42/45/1056824245.db2.gz CWOBWPYOFZGXIJ-UHFFFAOYSA-N -1 3 308.385 4.021 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2CCSC)c([O-])c1 ZINC001586899305 1056827430 /nfs/dbraw/zinc/82/74/30/1056827430.db2.gz ZGEUTHSUHWZFLL-UHFFFAOYSA-N -1 3 315.438 4.112 20 0 DIADHM Cc1ccc(-c2ccc(-c3c[nH]c4ccccc43)nn2)c([O-])c1 ZINC001241028861 1056828784 /nfs/dbraw/zinc/82/87/84/1056828784.db2.gz UMCDKYZMFODEGE-UHFFFAOYSA-N -1 3 301.349 4.306 20 0 DIADHM Cc1ccc(-c2nc(C(F)(F)F)nc3ccc(F)cc32)c([O-])c1 ZINC001241030416 1056830750 /nfs/dbraw/zinc/83/07/50/1056830750.db2.gz JULUQJUAOAQFPR-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1ccc(-c2cncc(SCc3ccccc3)n2)c([O-])c1 ZINC001241035537 1056834410 /nfs/dbraw/zinc/83/44/10/1056834410.db2.gz ALJMZKDSDDRXSC-UHFFFAOYSA-N -1 3 308.406 4.450 20 0 DIADHM Fc1cc(-c2ccc(=S)[n-]n2)ccc1OCc1ccccc1 ZINC001241038852 1056837253 /nfs/dbraw/zinc/83/72/53/1056837253.db2.gz QGTCQBPJKLFTNL-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1Cl ZINC001586989179 1056845507 /nfs/dbraw/zinc/84/55/07/1056845507.db2.gz DFLKSBXVSLXUAZ-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(F)c(C(F)(F)F)c1 ZINC001241097250 1056889307 /nfs/dbraw/zinc/88/93/07/1056889307.db2.gz YVSUDEAXUVDXEO-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(F)c(C(F)(F)F)c1 ZINC001241097250 1056889314 /nfs/dbraw/zinc/88/93/14/1056889314.db2.gz YVSUDEAXUVDXEO-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM CCc1ccc(C(=O)N[C@H](CC)c2cc(F)ccc2F)c([O-])c1 ZINC001617958364 1056908338 /nfs/dbraw/zinc/90/83/38/1056908338.db2.gz NINJVFHVLGUOLO-MRXNPFEDSA-N -1 3 319.351 4.114 20 0 DIADHM CCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c([O-])c1 ZINC001618026454 1056915531 /nfs/dbraw/zinc/91/55/31/1056915531.db2.gz ACRCAJDSPXHNRU-UHFFFAOYSA-N -1 3 324.207 4.191 20 0 DIADHM C[C@H]1CCc2c(sc3ncnc(-c4cc([O-])cc(F)c4)c23)C1 ZINC001241255714 1056983412 /nfs/dbraw/zinc/98/34/12/1056983412.db2.gz ANTSKRGSLQPYIO-VIFPVBQESA-N -1 3 314.385 4.328 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3cccnc3)nc3sccc32)c1 ZINC001241261345 1056984778 /nfs/dbraw/zinc/98/47/78/1056984778.db2.gz KIKQHSDJRROUNA-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(Oc3ccc(F)cc3F)nn2)c1 ZINC001241262681 1056986258 /nfs/dbraw/zinc/98/62/58/1056986258.db2.gz PPDHAYXYMUGXJB-UHFFFAOYSA-N -1 3 318.254 4.059 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3ccccn3)nc3sccc32)c1 ZINC001241262136 1056986305 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324.298 4.184 20 0 DIADHM CCC(=O)NCc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242156924 1057283734 /nfs/dbraw/zinc/28/37/34/1057283734.db2.gz AVXGNNAKBGKYJS-UHFFFAOYSA-N -1 3 323.314 4.104 20 0 DIADHM [O-]c1ccc(-c2ccc3c(c2)OCCCO3)cc1C(F)(F)F ZINC001242162417 1057284326 /nfs/dbraw/zinc/28/43/26/1057284326.db2.gz PDZFZIQSYMUZTN-UHFFFAOYSA-N -1 3 310.271 4.239 20 0 DIADHM CC(=O)Nc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1C ZINC001242162371 1057284358 /nfs/dbraw/zinc/28/43/58/1057284358.db2.gz MNYOCHXXZMHVQU-UHFFFAOYSA-N -1 3 309.287 4.345 20 0 DIADHM [O-]c1ccc(-c2ccc(OC(F)F)nc2)cc1C(F)(F)F ZINC001242162048 1057284817 /nfs/dbraw/zinc/28/48/17/1057284817.db2.gz KAYMGGOAOLLRKR-UHFFFAOYSA-N -1 3 305.202 4.074 20 0 DIADHM CCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1OC ZINC001242165426 1057285343 /nfs/dbraw/zinc/28/53/43/1057285343.db2.gz BLCGZVYMUMJTSK-UHFFFAOYSA-N -1 3 312.287 4.485 20 0 DIADHM O=C1CC[C@H](c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2)N1 ZINC001242168627 1057285484 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/nfs/dbraw/zinc/66/37/96/1057663796.db2.gz DOJCKZQDQSQXCC-KRWDZBQOSA-N -1 3 317.388 4.175 20 0 DIADHM COc1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527446750 1057664134 /nfs/dbraw/zinc/66/41/34/1057664134.db2.gz MODUYYKEFZZBAU-ZDUSSCGKSA-N -1 3 321.376 4.045 20 0 DIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1CCC(F)(F)CC1 ZINC000291042664 1057690688 /nfs/dbraw/zinc/69/06/88/1057690688.db2.gz ZEMQJWSMASZEKW-UHFFFAOYSA-N -1 3 319.351 4.195 20 0 DIADHM O=C(Oc1ccccc1OC(F)F)c1cc2ccsc2[n-]1 ZINC000729976624 1057699968 /nfs/dbraw/zinc/69/99/68/1057699968.db2.gz HSAAZRLCYFKSDR-UHFFFAOYSA-N -1 3 309.293 4.050 20 0 DIADHM Cc1nc2sc3c(c2c(-c2cccc([O-])c2F)n1)CCC3 ZINC001243543110 1057708368 /nfs/dbraw/zinc/70/83/68/1057708368.db2.gz CRKQAHGANCXEBV-UHFFFAOYSA-N -1 3 300.358 4.000 20 0 DIADHM Nc1cccc(-c2cc3nc(-c4cccc([O-])c4F)ccc3[nH]2)c1 ZINC001243543590 1057708472 /nfs/dbraw/zinc/70/84/72/1057708472.db2.gz UJKLHNPQHRSWFF-UHFFFAOYSA-N -1 3 319.339 4.324 20 0 DIADHM [O-]c1cccc(-c2ncnc3cc(OC(F)(F)F)ccc32)c1F ZINC001243542244 1057708566 /nfs/dbraw/zinc/70/85/66/1057708566.db2.gz MUBBNSBTZYDJFP-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM [O-]c1cccc(-c2cnc3ccc(C(F)(F)F)cc3n2)c1F ZINC001243543107 1057708609 /nfs/dbraw/zinc/70/86/09/1057708609.db2.gz OGBWXUZEGUKKAL-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM Cc1cccc(Sc2cncc(-c3cccc([O-])c3F)n2)c1 ZINC001243541856 1057708882 /nfs/dbraw/zinc/70/88/82/1057708882.db2.gz KDQIGTYBGOCDLD-UHFFFAOYSA-N -1 3 312.369 4.448 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2cccc([O-])c2F)cc1)C(C)C ZINC001243546738 1057709131 /nfs/dbraw/zinc/70/91/31/1057709131.db2.gz DXZXDGAOSDTDOI-INIZCTEOSA-N -1 3 302.345 4.111 20 0 DIADHM [O-]c1cccc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)c1F ZINC001243545756 1057709188 /nfs/dbraw/zinc/70/91/88/1057709188.db2.gz ARXCQOOYSLNSAO-UHFFFAOYSA-N -1 3 322.204 4.418 20 0 DIADHM [O-]c1cccc(-c2cnc3[nH]c(-c4ccccc4)nc3c2)c1F ZINC001243544222 1057709305 /nfs/dbraw/zinc/70/93/05/1057709305.db2.gz 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/nfs/dbraw/zinc/73/30/35/1057733035.db2.gz ZJTWWFWQNDVCCE-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM O=c1[n-]c(Sc2nc3ccccc3s2)nc2ccccc21 ZINC000731905423 1057758706 /nfs/dbraw/zinc/75/87/06/1057758706.db2.gz GNYGEYRIHXOFPM-UHFFFAOYSA-N -1 3 311.391 4.096 20 0 DIADHM CC(C)[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccccn1 ZINC000733687844 1057829362 /nfs/dbraw/zinc/82/93/62/1057829362.db2.gz HIYNLACDRXEMLI-AWEZNQCLSA-N -1 3 300.383 4.179 20 0 DIADHM CCOC(=O)c1noc2cccc(-c3c([O-])cccc3Cl)c21 ZINC001244045109 1057847353 /nfs/dbraw/zinc/84/73/53/1057847353.db2.gz VGOPDGPSLXXPQB-UHFFFAOYSA-N -1 3 317.728 4.031 20 0 DIADHM CCOC(=O)c1c(F)cc(F)cc1-c1c([O-])cccc1Cl ZINC001244046257 1057848015 /nfs/dbraw/zinc/84/80/15/1057848015.db2.gz FJASQMLPBLWDIH-UHFFFAOYSA-N -1 3 312.699 4.168 20 0 DIADHM CCOC(=O)c1c(F)cc(-c2c([O-])cccc2Cl)cc1F ZINC001244045527 1057848313 /nfs/dbraw/zinc/84/83/13/1057848313.db2.gz ZXVGTHKCSIWXMF-UHFFFAOYSA-N -1 3 312.699 4.168 20 0 DIADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1ccc(F)cc1 ZINC001244046816 1057848819 /nfs/dbraw/zinc/84/88/19/1057848819.db2.gz BSVNLWOOWGBYDY-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM COc1ccc(-c2ccc(=S)[n-]n2)cc1OCc1ccccc1 ZINC001244204505 1057900044 /nfs/dbraw/zinc/90/00/44/1057900044.db2.gz CYMQDLLDJHDSIY-UHFFFAOYSA-N -1 3 324.405 4.020 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc2c(n1)CCCC2 ZINC001244454984 1057962320 /nfs/dbraw/zinc/96/23/20/1057962320.db2.gz DXDKHDYIBIOESL-UHFFFAOYSA-N -1 3 309.287 4.232 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccnc(C2CCCC2)n1 ZINC001244458342 1057963939 /nfs/dbraw/zinc/96/39/39/1057963939.db2.gz HVIWLKVPAVQIOH-UHFFFAOYSA-N -1 3 324.302 4.405 20 0 DIADHM CC(=O)N1CCCc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244469160 1057968034 /nfs/dbraw/zinc/96/80/34/1057968034.db2.gz CXXIARQWOGYSNB-UHFFFAOYSA-N -1 3 301.773 4.012 20 0 DIADHM COC(=O)C(C)(C)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469285 1057968037 /nfs/dbraw/zinc/96/80/37/1057968037.db2.gz FZLACQLVZPGFTD-UHFFFAOYSA-N -1 3 304.773 4.163 20 0 DIADHM COc1ncc(-c2ccc(Cl)cc2[O-])cc1C(F)(F)F ZINC001244470038 1057968624 /nfs/dbraw/zinc/96/86/24/1057968624.db2.gz VHKYYDOGPMGXBC-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM CCOC(=O)c1noc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244471824 1057968683 /nfs/dbraw/zinc/96/86/83/1057968683.db2.gz JRDVGSADEKHTOX-UHFFFAOYSA-N -1 3 317.728 4.031 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccnc(OCc2cccnc2)c1 ZINC001244473365 1057969268 /nfs/dbraw/zinc/96/92/68/1057969268.db2.gz WDPFTIITIUDPQX-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM COC(=O)CCCc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244473184 1057969330 /nfs/dbraw/zinc/96/93/30/1057969330.db2.gz TXOXAVDYQVLZRF-UHFFFAOYSA-N -1 3 304.773 4.208 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3ccc(Cl)cc3[O-])cc2)CC1 ZINC001244474295 1057969950 /nfs/dbraw/zinc/96/99/50/1057969950.db2.gz ZJKVLCNLIFVWBP-UHFFFAOYSA-N -1 3 316.784 4.307 20 0 DIADHM Cc1cc(-c2cc(Oc3cccc(F)c3)ncn2)cc([O-])c1F ZINC001244506026 1057979392 /nfs/dbraw/zinc/97/93/92/1057979392.db2.gz ANJZNZUSCOQCEN-UHFFFAOYSA-N -1 3 314.291 4.228 20 0 DIADHM CSc1nc2ccnc(-c3cc(C)c(F)c([O-])c3)c2s1 ZINC001244505584 1057979472 /nfs/dbraw/zinc/97/94/72/1057979472.db2.gz HIGDCGDLHRDHDL-UHFFFAOYSA-N -1 3 306.387 4.233 20 0 DIADHM Cc1cc(-c2ccnc(Cc3ccc(F)cc3)n2)cc([O-])c1F ZINC001244506730 1057980311 /nfs/dbraw/zinc/98/03/11/1057980311.db2.gz IRVXDMLHDKZYDQ-UHFFFAOYSA-N -1 3 312.319 4.027 20 0 DIADHM Cc1cc(-c2nnc(-c3cccc(F)c3)cc2C)cc([O-])c1F ZINC001244507440 1057980498 /nfs/dbraw/zinc/98/04/98/1057980498.db2.gz KPCALILBMGQCLU-UHFFFAOYSA-N -1 3 312.319 4.411 20 0 DIADHM CSc1nc2ccccc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507773 1057980623 /nfs/dbraw/zinc/98/06/23/1057980623.db2.gz YTMYTXMFLFHIMH-UHFFFAOYSA-N -1 3 300.358 4.172 20 0 DIADHM Cc1nc(C)c(-c2ccc(-c3cc(C)c(F)c([O-])c3)nn2)s1 ZINC001244508474 1057980940 /nfs/dbraw/zinc/98/09/40/1057980940.db2.gz SNBSSNYYXXOMLZ-UHFFFAOYSA-N -1 3 315.373 4.037 20 0 DIADHM Cc1cc(-c2nc(C(F)(F)F)cc3cc[nH]c32)cc([O-])c1F ZINC001244508729 1057980996 /nfs/dbraw/zinc/98/09/96/1057980996.db2.gz WRKFMHNHTWDUMI-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM CCOC(=O)CCc1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244521223 1057984216 /nfs/dbraw/zinc/98/42/16/1057984216.db2.gz QNAVDBKVJADLNZ-UHFFFAOYSA-N -1 3 302.345 4.002 20 0 DIADHM Cc1cc(-c2ccc(C(=O)Nc3ccccn3)cc2)cc([O-])c1F ZINC001244521705 1057984284 /nfs/dbraw/zinc/98/42/84/1057984284.db2.gz WQQXNXIXXMRILH-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM Cc1cc(-c2ccc(O[C@@H]3CCCCO3)cc2)cc([O-])c1F ZINC001244520873 1057984409 /nfs/dbraw/zinc/98/44/09/1057984409.db2.gz NCPLHQIOEBQWLN-QGZVFWFLSA-N -1 3 302.345 4.412 20 0 DIADHM Cc1cc(-c2cccc(-c3ncc4ncccn43)c2)cc([O-])c1F ZINC001244524556 1057985624 /nfs/dbraw/zinc/98/56/24/1057985624.db2.gz BMSZQETZLXJFBZ-UHFFFAOYSA-N -1 3 319.339 4.216 20 0 DIADHM Cc1cc(-c2cnc(C(=O)OC(C)(C)C)c(C)c2)cc([O-])c1F ZINC001244524884 1057985687 /nfs/dbraw/zinc/98/56/87/1057985687.db2.gz IAHDCPAHAVGTLN-UHFFFAOYSA-N -1 3 317.360 4.165 20 0 DIADHM COC(=O)c1cc2[nH]ccc2cc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244538668 1057989928 /nfs/dbraw/zinc/98/99/28/1057989928.db2.gz VUQTVQLGKVIFBX-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM Cc1cc(-c2ccnc(N3CCCCC3)c2)cc(Cl)c1[O-] ZINC001244538595 1057990053 /nfs/dbraw/zinc/99/00/53/1057990053.db2.gz NOGMVFDHRITLLJ-UHFFFAOYSA-N -1 3 302.805 4.406 20 0 DIADHM COC(=O)CCc1ccccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244545963 1057992767 /nfs/dbraw/zinc/99/27/67/1057992767.db2.gz BSUIZELWHPKAHN-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM Cc1cc(-c2ccc3c(c2)CN(C2CC2)C3=O)cc(Cl)c1[O-] ZINC001244545938 1057992964 /nfs/dbraw/zinc/99/29/64/1057992964.db2.gz BBWCDCWSFHWBHA-UHFFFAOYSA-N -1 3 313.784 4.139 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C(=O)NCC3(C)C)cc(Cl)c1[O-] ZINC001244554708 1057994213 /nfs/dbraw/zinc/99/42/13/1057994213.db2.gz MSGBAHRNGSHPAM-UHFFFAOYSA-N -1 3 315.800 4.042 20 0 DIADHM COC(=O)[C@H](C)c1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244556864 1057994966 /nfs/dbraw/zinc/99/49/66/1057994966.db2.gz YLFUMWDXXTYFNT-LLVKDONJSA-N -1 3 304.773 4.298 20 0 DIADHM Cc1cc(-c2ccc3c(c2)NC(=O)NC3(C)C)cc(Cl)c1[O-] ZINC001244556617 1057994998 /nfs/dbraw/zinc/99/49/98/1057994998.db2.gz XMOPMHZQFMFIRU-UHFFFAOYSA-N -1 3 316.788 4.391 20 0 DIADHM CCOc1ccc(C)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001244870320 1058061479 /nfs/dbraw/zinc/06/14/79/1058061479.db2.gz JXUSHYSMZQDYLK-UHFFFAOYSA-N -1 3 314.332 4.158 20 0 DIADHM COC(=O)c1cc(-c2ccc([O-])cc2Cl)nc(C(C)(C)C)c1 ZINC001245078807 1058107740 /nfs/dbraw/zinc/10/77/40/1058107740.db2.gz HQVPDEBBJLMKHI-UHFFFAOYSA-N -1 3 319.788 4.192 20 0 DIADHM [O-]c1ccc(-c2ncc(F)c(Oc3ccccc3)n2)c(Cl)c1 ZINC001245079967 1058107759 /nfs/dbraw/zinc/10/77/59/1058107759.db2.gz TUPXKUPGLVTVID-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM CN(c1ccccc1)c1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245078314 1058107881 /nfs/dbraw/zinc/10/78/81/1058107881.db2.gz DLAZOZNVUDYWGB-UHFFFAOYSA-N -1 3 311.772 4.271 20 0 DIADHM [O-]c1ccc(-c2cncc(OC3CCCCC3)n2)c(Cl)c1 ZINC001245080183 1058108011 /nfs/dbraw/zinc/10/80/11/1058108011.db2.gz UUVMXMCAQYXTLR-UHFFFAOYSA-N -1 3 304.777 4.214 20 0 DIADHM Cc1nc(-c2ccncc2)nc(-c2ccc([O-])cc2Cl)c1C ZINC001245080292 1058108460 /nfs/dbraw/zinc/10/84/60/1058108460.db2.gz YOUTWGYSXXXZSO-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM CC(C)(C)OC(=O)c1cccnc1-c1ccc([O-])cc1Cl ZINC001245080044 1058108536 /nfs/dbraw/zinc/10/85/36/1058108536.db2.gz WUZCNIGYBCSEBE-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1ccc(-c2ccc(OCc3ccccc3)nn2)c(Cl)c1 ZINC001245082054 1058108643 /nfs/dbraw/zinc/10/86/43/1058108643.db2.gz QSIRECCAUUOHDO-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM O=C(N[C@@H]1CCc2c1cccc2F)c1cc([O-])c2ccccc2c1 ZINC000527451249 1058130944 /nfs/dbraw/zinc/13/09/44/1058130944.db2.gz AYSHUERJGAKJQD-GOSISDBHSA-N -1 3 321.351 4.102 20 0 DIADHM CC(C)c1ccc(C(=O)NC2(Cc3ccccc3)CCC2)c([O-])c1 ZINC001545346401 1058197920 /nfs/dbraw/zinc/19/79/20/1058197920.db2.gz JEDUBSBGWGRWSL-UHFFFAOYSA-N -1 3 323.436 4.411 20 0 DIADHM COC(=O)c1cc2c(cccc2-c2c([O-])cccc2F)s1 ZINC001245653100 1058309489 /nfs/dbraw/zinc/30/94/89/1058309489.db2.gz KGPHKZRAMQBFDJ-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COC(=O)c1cc2cccc(-c3c([O-])cccc3F)c2s1 ZINC001245652431 1058311221 /nfs/dbraw/zinc/31/12/21/1058311221.db2.gz AFACIMZGEZTFND-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM O=C(Nc1ccccc1)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657022 1058313299 /nfs/dbraw/zinc/31/32/99/1058313299.db2.gz ZMSGSDCTRWFTGY-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM Cc1nc(OCc2ccccc2)ccc1-c1c([O-])cccc1F ZINC001245654069 1058313595 /nfs/dbraw/zinc/31/35/95/1058313595.db2.gz DNJPUPJQNOLBCF-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc2nnc(-c3ccccc3F)n2c1 ZINC001245655313 1058313807 /nfs/dbraw/zinc/31/38/07/1058313807.db2.gz BPYQZLYXVNNQKL-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CCOC(=O)[C@H](CC)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656859 1058314100 /nfs/dbraw/zinc/31/41/00/1058314100.db2.gz VYXFRSQHHZRWPN-CQSZACIVSA-N -1 3 302.345 4.255 20 0 DIADHM O=C([N-][C@H](CC1CCCC1)c1ccccc1)C(F)(F)C(F)F ZINC001519561427 1058437998 /nfs/dbraw/zinc/43/79/98/1058437998.db2.gz UUCGLMZULBZFEN-CYBMUJFWSA-N -1 3 317.326 4.325 20 0 DIADHM CCC[C@@H](C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001566696519 1058500987 /nfs/dbraw/zinc/50/09/87/1058500987.db2.gz XAOWMTDGOZKAOK-LLVKDONJSA-N -1 3 303.324 4.080 20 0 DIADHM [O-]c1ccc(F)c(-c2cnccc2CN2CCCCC2)c1Cl ZINC001245834349 1058536725 /nfs/dbraw/zinc/53/67/25/1058536725.db2.gz GKPBNXGYJRVNTB-UHFFFAOYSA-N -1 3 320.795 4.233 20 0 DIADHM Cc1cc(C)cc(CCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001556081910 1058540489 /nfs/dbraw/zinc/54/04/89/1058540489.db2.gz QMPDLBYHTPWAAU-UHFFFAOYSA-N -1 3 303.789 4.234 20 0 DIADHM CCc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001556098923 1058542784 /nfs/dbraw/zinc/54/27/84/1058542784.db2.gz BQOVQHRZBIGOFG-GOSISDBHSA-N -1 3 309.409 4.322 20 0 DIADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556110848 1058543265 /nfs/dbraw/zinc/54/32/65/1058543265.db2.gz GFSXRSFWSUPQBL-GOSISDBHSA-N -1 3 323.436 4.493 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c1 ZINC001556101659 1058545527 /nfs/dbraw/zinc/54/55/27/1058545527.db2.gz ZBHSKEIVHNSCAS-OAQYLSRUSA-N -1 3 323.436 4.192 20 0 DIADHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCCC1 ZINC001556141521 1058552895 /nfs/dbraw/zinc/55/28/95/1058552895.db2.gz PQXRKONMRGEXHE-AWEZNQCLSA-N -1 3 321.436 4.329 20 0 DIADHM Cc1ccc2c(ccc(C)c2C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001556408740 1058590080 /nfs/dbraw/zinc/59/00/80/1058590080.db2.gz ZPOGOEUPWZSGOV-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC001556658785 1058623984 /nfs/dbraw/zinc/62/39/84/1058623984.db2.gz JZLDMSHMJJHGRN-INIZCTEOSA-N -1 3 309.425 4.185 20 0 DIADHM CCC(=CC(=O)Nc1c(C)c(Br)ccc1[O-])CC ZINC001556771410 1058637223 /nfs/dbraw/zinc/63/72/23/1058637223.db2.gz VTXQWXDLVHTABN-UHFFFAOYSA-N -1 3 312.207 4.148 20 0 DIADHM Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)c(Cl)c1 ZINC001556784107 1058643312 /nfs/dbraw/zinc/64/33/12/1058643312.db2.gz KRKWPJJISHIMQH-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001556804083 1058645971 /nfs/dbraw/zinc/64/59/71/1058645971.db2.gz UBEBMKPPNWZQQB-CABCVRRESA-N -1 3 307.434 4.063 20 0 DIADHM CCc1cccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c1[O-] ZINC001556872233 1058662049 /nfs/dbraw/zinc/66/20/49/1058662049.db2.gz JMCXEEKIXLHNQV-SFHVURJKSA-N -1 3 321.376 4.067 20 0 DIADHM CCc1cccc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC001556878370 1058664656 /nfs/dbraw/zinc/66/46/56/1058664656.db2.gz DTQCELAPXNKWKU-ZRGWGRIASA-N -1 3 323.436 4.361 20 0 DIADHM CCC[C@@H](NC(=O)c1cc(SC)ccc1[O-])C1CCCC1 ZINC001556983797 1058679614 /nfs/dbraw/zinc/67/96/14/1058679614.db2.gz GNCNPRPWOLEWPT-OAHLLOKOSA-N -1 3 307.459 4.203 20 0 DIADHM O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC001557025064 1058684409 /nfs/dbraw/zinc/68/44/09/1058684409.db2.gz KBCZGPMGIKTTEX-DZGCQCFKSA-N -1 3 315.800 4.112 20 0 DIADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC001557027850 1058687870 /nfs/dbraw/zinc/68/78/70/1058687870.db2.gz BNXWPNYYDMPGCU-JKSUJKDBSA-N -1 3 303.446 4.291 20 0 DIADHM O=C([N-]c1ccnc(F)c1F)c1sc2ccccc2c1Cl ZINC001529402056 1058700817 /nfs/dbraw/zinc/70/08/17/1058700817.db2.gz VLUBNTHYFGUKEX-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@@H]1C1CCC1 ZINC001557366684 1058738549 /nfs/dbraw/zinc/73/85/49/1058738549.db2.gz GROFPNAVOKALFP-GOSISDBHSA-N -1 3 309.409 4.340 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)c([O-])c1 ZINC001557397665 1058741291 /nfs/dbraw/zinc/74/12/91/1058741291.db2.gz JKNWGPNJMWBMDQ-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2CCC3(CC3)CC2)c([O-])c1 ZINC001557767164 1058791476 /nfs/dbraw/zinc/79/14/76/1058791476.db2.gz LITKDGFAJTVVEJ-UHFFFAOYSA-N -1 3 301.430 4.216 20 0 DIADHM C/C=C\C[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001557792971 1058796348 /nfs/dbraw/zinc/79/63/48/1058796348.db2.gz QZONYYXUIJQQLJ-XQJDBVBESA-N -1 3 315.438 4.425 20 0 DIADHM C[C@@H](C1CC1)N(C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC001557948206 1058815136 /nfs/dbraw/zinc/81/51/36/1058815136.db2.gz IOMNCXAXRQBPOA-LBPRGKRZSA-N -1 3 315.800 4.491 20 0 DIADHM CCSc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC001558119600 1058841148 /nfs/dbraw/zinc/84/11/48/1058841148.db2.gz ZVRLYTUUIJRDOJ-UHFFFAOYSA-N -1 3 321.829 4.088 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c1 ZINC001558479966 1058875718 /nfs/dbraw/zinc/87/57/18/1058875718.db2.gz XQJFLOQMDWPZHV-DNVCBOLYSA-N -1 3 323.436 4.363 20 0 DIADHM O=c1nc(Cl)cc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC001559086800 1058976615 /nfs/dbraw/zinc/97/66/15/1058976615.db2.gz OEFKLBNWXYEDRG-UHFFFAOYSA-N -1 3 321.616 4.435 20 0 DIADHM Cc1ccc(F)c2oc(C(=O)[N-]c3nnc(C(C)C)s3)cc21 ZINC001531465862 1059324631 /nfs/dbraw/zinc/32/46/31/1059324631.db2.gz LGZODBUJDQBSDN-UHFFFAOYSA-N -1 3 319.361 4.108 20 0 DIADHM COc1c(C)cccc1Nc1cccc([O-])c1Br ZINC001248536715 1059869209 /nfs/dbraw/zinc/86/92/09/1059869209.db2.gz NVEORFHZVMFARY-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM CC(=O)OCc1cc(Nc2cccc([O-])c2Cl)ccc1C ZINC001248583471 1059900816 /nfs/dbraw/zinc/90/08/16/1059900816.db2.gz SRBBLGPUZIOOLY-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM O=C([N-][C@H]1C=CCCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC001525468282 1059901813 /nfs/dbraw/zinc/90/18/13/1059901813.db2.gz KSBHYJGVDYJHFR-VIFPVBQESA-N -1 3 320.166 4.310 20 0 DIADHM O=C([N-][C@@H]1C=CCCC1)C(F)(F)c1cccc(Cl)c1Cl ZINC001525468279 1059903235 /nfs/dbraw/zinc/90/32/35/1059903235.db2.gz KSBHYJGVDYJHFR-SECBINFHSA-N -1 3 320.166 4.310 20 0 DIADHM [O-]c1cc(Cl)ccc1NC(=S)Nc1cc(F)ccc1F ZINC001248589679 1059903802 /nfs/dbraw/zinc/90/38/02/1059903802.db2.gz UMYZFBZAMRYRHT-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM C[C@H](NC(=S)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC001249605251 1060312673 /nfs/dbraw/zinc/31/26/73/1060312673.db2.gz ULNBRXFRYVFTPA-VIFPVBQESA-N -1 3 324.808 4.232 20 0 DIADHM CCCCc1ccc(NC(=S)Nc2ncccc2[O-])c(C)c1 ZINC001249806967 1060409759 /nfs/dbraw/zinc/40/97/59/1060409759.db2.gz JCFVJOQXNKMUEL-UHFFFAOYSA-N -1 3 315.442 4.247 20 0 DIADHM O=C(CCc1ccc([O-])c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC001250028296 1060553549 /nfs/dbraw/zinc/55/35/49/1060553549.db2.gz QZQZGFWBXZOSOZ-UHFFFAOYSA-N -1 3 312.262 4.366 20 0 DIADHM Fc1ccc(Cl)c(F)c1[N-]c1cc(-c2ccncc2)no1 ZINC001250090961 1060598616 /nfs/dbraw/zinc/59/86/16/1060598616.db2.gz ZUFBMYHAJHBQEA-UHFFFAOYSA-N -1 3 307.687 4.412 20 0 DIADHM COc1c(Cl)ccc(F)c1Nc1cc(F)c(F)cc1[O-] ZINC001250105897 1060614227 /nfs/dbraw/zinc/61/42/27/1060614227.db2.gz NYQPJYSENYWTJJ-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM C/C(=C/c1ccccc1)CN(C)Cc1ccc([O-])c(F)c1F ZINC001560755740 1060622500 /nfs/dbraw/zinc/62/25/00/1060622500.db2.gz RKQGNRGMUTULKO-RAXLEYEMSA-N -1 3 303.352 4.206 20 0 DIADHM COC(=O)c1c(Cl)cccc1[N-]c1nc2ccc(F)cc2o1 ZINC001250143103 1060642895 /nfs/dbraw/zinc/64/28/95/1060642895.db2.gz BHYQUHAGEXUTDK-UHFFFAOYSA-N -1 3 320.707 4.151 20 0 DIADHM Clc1ncc([N-]c2noc3cccnc23)c(Cl)c1Cl ZINC001250198471 1060677676 /nfs/dbraw/zinc/67/76/76/1060677676.db2.gz VTILDRXMVUOFSK-UHFFFAOYSA-N -1 3 315.547 4.322 20 0 DIADHM C[C@H]1C[C@@H](c2ccccc2)N(Cc2c(F)ccc([O-])c2F)C1 ZINC001560821441 1060679907 /nfs/dbraw/zinc/67/99/07/1060679907.db2.gz UGQLZAVUQZWYNM-LRDDRELGSA-N -1 3 303.352 4.254 20 0 DIADHM COc1cc(Nc2c(F)cc([O-])cc2F)c(F)c(F)c1Cl ZINC001250267055 1060744691 /nfs/dbraw/zinc/74/46/91/1060744691.db2.gz AHFGAEHMXIZYNW-UHFFFAOYSA-N -1 3 321.657 4.354 20 0 DIADHM CC(C)Oc1c(F)cc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001250280905 1060753387 /nfs/dbraw/zinc/75/33/87/1060753387.db2.gz RCCFWYMHSIJOKR-UHFFFAOYSA-N -1 3 314.719 4.250 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3ccc(Br)o3)[n-]c21 ZINC001250734664 1061047101 /nfs/dbraw/zinc/04/71/01/1061047101.db2.gz UPCAMUFJRSIOQT-UHFFFAOYSA-N -1 3 317.064 4.003 20 0 DIADHM [O-]c1ccc(F)cc1-c1nc2c(cc(F)cc2C(F)(F)F)[nH]1 ZINC001250838287 1061088738 /nfs/dbraw/zinc/08/87/38/1061088738.db2.gz YKAGQUHDOJVXRD-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cc1ccc(F)c2nc(-c3c([O-])cccc3Br)[nH]c21 ZINC001250844263 1061090904 /nfs/dbraw/zinc/09/09/04/1061090904.db2.gz ZOAVFFOIOKGLBX-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM Cc1ccc2[nH]c(-c3c([O-])cccc3Br)nc2c1C ZINC001250844232 1061092103 /nfs/dbraw/zinc/09/21/03/1061092103.db2.gz XUMFLTCTFKBNRW-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM CC[C@@H](C)n1c2ccc(Cl)cc2nc1-c1ccncc1[O-] ZINC001250858106 1061097218 /nfs/dbraw/zinc/09/72/18/1061097218.db2.gz QCGHRQDBFKGOTR-SNVBAGLBSA-N -1 3 301.777 4.428 20 0 DIADHM [O-]c1cccc(Cl)c1-c1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001250863739 1061099371 /nfs/dbraw/zinc/09/93/71/1061099371.db2.gz MGZHSGGRVBYDSL-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM Cn1c2ccc3ncccc3c2nc1-c1cc([O-])cc(Cl)c1 ZINC001250905540 1061120130 /nfs/dbraw/zinc/12/01/30/1061120130.db2.gz CEWZSWQJXSAVPH-UHFFFAOYSA-N -1 3 309.756 4.148 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc3cc(N4CCCC4)ccc3[nH]2)c1 ZINC001250905608 1061120192 /nfs/dbraw/zinc/12/01/92/1061120192.db2.gz FNRLZQJXTXOOLE-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM COc1cc2nc(-c3cc([O-])cc(Cl)c3)[nH]c2cc1Cl ZINC001250905570 1061120309 /nfs/dbraw/zinc/12/03/09/1061120309.db2.gz DNLFQHWZKSVYID-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM [O-]c1ccc(-c2nc3c(cc(F)cc3F)[nH]2)cc1C(F)(F)F ZINC001251021057 1061187490 /nfs/dbraw/zinc/18/74/90/1061187490.db2.gz YRBFDWNMWSSUQN-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cc1cc([O-])c(-c2nc3c(ccc4ncccc34)[nH]2)cc1Cl ZINC001251047771 1061198990 /nfs/dbraw/zinc/19/89/90/1061198990.db2.gz FYAZQNJKBNCBGP-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM COCCn1c2ccccc2nc1-c1cc(Cl)c(C)cc1[O-] ZINC001251047495 1061200479 /nfs/dbraw/zinc/20/04/79/1061200479.db2.gz FJPHCKDSVPXBPO-UHFFFAOYSA-N -1 3 316.788 4.017 20 0 DIADHM Cc1cc([O-])c(-c2nc3c(ccc4ncccc34)n2C)cc1Cl ZINC001251047249 1061200815 /nfs/dbraw/zinc/20/08/15/1061200815.db2.gz ANLTZKLVDRKTBL-UHFFFAOYSA-N -1 3 323.783 4.456 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001456088783 1061266862 /nfs/dbraw/zinc/26/68/62/1061266862.db2.gz YIVVIXCLYNBGHM-HNAYVOBHSA-N -1 3 323.436 4.363 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3cc(Br)co3)[n-]c21 ZINC001251222552 1061276687 /nfs/dbraw/zinc/27/66/87/1061276687.db2.gz ZXHQNGFMLADJDP-UHFFFAOYSA-N -1 3 317.064 4.003 20 0 DIADHM COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)c(Cl)c1[O-] ZINC001251335522 1061318579 /nfs/dbraw/zinc/31/85/79/1061318579.db2.gz HYGNOAAKNXGZFE-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1ccc(-c2nc3cccc(Cl)c3n2C)c(Cl)c1[O-] ZINC001251338928 1061321453 /nfs/dbraw/zinc/32/14/53/1061321453.db2.gz KNOXFMCBFCVZJK-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM COc1ccc(-c2nc3c(ccc(C)c3C)[nH]2)c(Cl)c1[O-] ZINC001251335857 1061322287 /nfs/dbraw/zinc/32/22/87/1061322287.db2.gz SQRHRMHPASKTTA-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM Cc1cccc2c1nc(-c1ccc(C(F)(F)F)cc1[O-])n2C ZINC001251349836 1061330130 /nfs/dbraw/zinc/33/01/30/1061330130.db2.gz WIGXSNPCOGEAMK-UHFFFAOYSA-N -1 3 306.287 4.273 20 0 DIADHM O=C(Nc1cccnc1C1CC1)c1cc2sccc2c([O-])c1 ZINC001456925573 1061388149 /nfs/dbraw/zinc/38/81/49/1061388149.db2.gz MAIHMGVNDCWTRB-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM CCC[C@](C)(NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001457121771 1061410445 /nfs/dbraw/zinc/41/04/45/1061410445.db2.gz FYGVKVRMNCPCHD-FQEVSTJZSA-N -1 3 311.425 4.400 20 0 DIADHM Cc1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])sn1 ZINC001457808644 1061504737 /nfs/dbraw/zinc/50/47/37/1061504737.db2.gz ZMOPNOADANPDQS-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCOc1ccc(-c2nnc(-c3cc([O-])ccc3Cl)o2)cc1 ZINC001252050018 1061560953 /nfs/dbraw/zinc/56/09/53/1061560953.db2.gz IDOGKUOTFHSTTG-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc(CC)ccc2[O-])c(C)c1 ZINC001464365405 1061584594 /nfs/dbraw/zinc/58/45/94/1061584594.db2.gz RIEBQQVKZTXSCM-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252179408 1061606733 /nfs/dbraw/zinc/60/67/33/1061606733.db2.gz KKMFDWUAISDMEB-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)cc1 ZINC001252190884 1061606905 /nfs/dbraw/zinc/60/69/05/1061606905.db2.gz YUCHHQUEDXDBNG-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM Cc1ccc2sc(NCc3ccc([O-])c(F)c3)nc2c1C ZINC001458200274 1061628305 /nfs/dbraw/zinc/62/83/05/1061628305.db2.gz RCQQQRXXCRVVLX-UHFFFAOYSA-N -1 3 302.374 4.370 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c([O-])c1 ZINC001464747122 1061629466 /nfs/dbraw/zinc/62/94/66/1061629466.db2.gz NJTHATMBOGRHRT-SFHVURJKSA-N -1 3 323.436 4.365 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc4cccc(O)c4cc3[O-])o2)cc1 ZINC001252616129 1061679687 /nfs/dbraw/zinc/67/96/87/1061679687.db2.gz CXGQSVFCVIELHH-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CC[C@]1(C)CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001465405402 1061749318 /nfs/dbraw/zinc/74/93/18/1061749318.db2.gz BVLDXTNRYIQNPD-QGZVFWFLSA-N -1 3 303.427 4.259 20 0 DIADHM CC[C@@H](CNc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001474229461 1061791631 /nfs/dbraw/zinc/79/16/31/1061791631.db2.gz VKLXBOQYAGLBQU-HNNXBMFYSA-N -1 3 307.397 4.184 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001465965174 1061851520 /nfs/dbraw/zinc/85/15/20/1061851520.db2.gz BFRTZMKYHJVMGA-UHFFFAOYSA-N -1 3 319.788 4.313 20 0 DIADHM CC(C)C[C@H](C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001466294031 1061912467 /nfs/dbraw/zinc/91/24/67/1061912467.db2.gz MDPXRNWJAVPAKG-LBPRGKRZSA-N -1 3 317.351 4.326 20 0 DIADHM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccccc1[O-] ZINC001466530953 1061957030 /nfs/dbraw/zinc/95/70/30/1061957030.db2.gz MBUMABRUIZGBBI-SNVBAGLBSA-N -1 3 324.207 4.060 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc(-c3cccc(Cl)c3)o2)c1 ZINC001253735616 1061965194 /nfs/dbraw/zinc/96/51/94/1061965194.db2.gz QSVAFGFUTBJALB-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CCc1ccc([C@@H](C)NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC001466583483 1061968523 /nfs/dbraw/zinc/96/85/23/1061968523.db2.gz 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Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)CC(C)C ZINC001259883599 1063895305 /nfs/dbraw/zinc/89/53/05/1063895305.db2.gz JVSZSNHWKPFCRB-UHFFFAOYSA-N -1 3 319.426 4.185 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)ccc1F ZINC001260760929 1063906364 /nfs/dbraw/zinc/90/63/64/1063906364.db2.gz ONLFUIDAJUQMKY-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(C)C)ccc1F ZINC001260761508 1063906929 /nfs/dbraw/zinc/90/69/29/1063906929.db2.gz PINQCJROTQKBLF-UHFFFAOYSA-N -1 3 321.417 4.133 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001261199025 1063910162 /nfs/dbraw/zinc/91/01/62/1063910162.db2.gz ADMVVOPJFLHHBC-GDBMZVCRSA-N -1 3 309.409 4.198 20 0 DIADHM [O-]c1cccc(CN2CCC(Nc3ccccc3)CC2)c1Cl ZINC001261245328 1063914633 /nfs/dbraw/zinc/91/46/33/1063914633.db2.gz XVPQEDMIEFQBDL-UHFFFAOYSA-N -1 3 316.832 4.122 20 0 DIADHM CCOc1cccc(-c2noc(-c3cc([O-])ccc3Cl)n2)c1 ZINC000389085144 1064121461 /nfs/dbraw/zinc/12/14/61/1064121461.db2.gz ZNOGKMMLIYNZKB-UHFFFAOYSA-N -1 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ZINC001291719949 1064742221 /nfs/dbraw/zinc/74/22/21/1064742221.db2.gz YIMYTUNAXLRFLI-SFHVURJKSA-N -1 3 311.425 4.472 20 0 DIADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001292000213 1064755294 /nfs/dbraw/zinc/75/52/94/1064755294.db2.gz JXABMNIUCMGMOH-ZDUSSCGKSA-N -1 3 309.365 4.246 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001292480787 1064776960 /nfs/dbraw/zinc/77/69/60/1064776960.db2.gz DRWDWYISLYKVMM-CABCVRRESA-N -1 3 303.446 4.283 20 0 DIADHM CCc1cccc(C(=O)NC2(c3cccc(C)c3)CCCC2)c1[O-] ZINC001292758895 1064785609 /nfs/dbraw/zinc/78/56/09/1064785609.db2.gz SZBKMRCWEWWAOR-UHFFFAOYSA-N -1 3 323.436 4.462 20 0 DIADHM C[C@H]1CC(CCN2Cc3ccc(C(=O)[O-])cc3C2)C[C@H](C)C1 ZINC000659791163 1064803174 /nfs/dbraw/zinc/80/31/74/1064803174.db2.gz UEMRTHDGMBPOQT-ZIAGYGMSSA-N -1 3 301.430 4.163 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)c1[O-] ZINC001293598220 1064822961 /nfs/dbraw/zinc/82/29/61/1064822961.db2.gz QEWXUQXIEWWJLT-SFHVURJKSA-N -1 3 309.409 4.226 20 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Cc1oc([C@H](C)N2CCC[C@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000566359891 332376257 /nfs/dbraw/zinc/37/62/57/332376257.db2.gz ZLOUEKPTXOITRF-SCLBCKFNSA-N -1 3 303.402 4.170 20 0 DIADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000566359605 332377040 /nfs/dbraw/zinc/37/70/40/332377040.db2.gz KENAKHMMFMNEOG-ISTVAULSSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000560822310 332388673 /nfs/dbraw/zinc/38/86/73/332388673.db2.gz JVEHDMXTSSUQIS-UWVGGRQHSA-N -1 3 307.802 4.158 20 0 DIADHM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000562052410 332537485 /nfs/dbraw/zinc/53/74/85/332537485.db2.gz WSSRXXNUZXWADE-DZGCQCFKSA-N -1 3 309.837 4.380 20 0 DIADHM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000169198703 332620404 /nfs/dbraw/zinc/62/04/04/332620404.db2.gz PBDRYVJFQWZENU-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(c1csc2ccccc12)N1CCCc2cccc([O-])c21 ZINC000170873070 332638670 /nfs/dbraw/zinc/63/86/70/332638670.db2.gz BSRKFSZYUSGEMR-UHFFFAOYSA-N -1 3 309.390 4.200 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(F)c1 ZINC000460447691 333088618 /nfs/dbraw/zinc/08/86/18/333088618.db2.gz UYMLRRAYXYVNTG-UHFFFAOYSA-N -1 3 321.417 4.232 20 0 DIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460452189 333089487 /nfs/dbraw/zinc/08/94/87/333089487.db2.gz WJEUKDSOEVUNHF-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000112716266 333101625 /nfs/dbraw/zinc/10/16/25/333101625.db2.gz HTPDACXKQXJWLU-JTQLQIEISA-N -1 3 311.212 4.253 20 0 DIADHM C[C@]1(c2ccccc2)CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000516656512 333136594 /nfs/dbraw/zinc/13/65/94/333136594.db2.gz GZDQQYRYOIJFMV-SFHVURJKSA-N -1 3 315.438 4.000 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000183018977 333150018 /nfs/dbraw/zinc/15/00/18/333150018.db2.gz UGOFQPBFHCDXFS-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C)ccc1[O-] ZINC000318743038 333206986 /nfs/dbraw/zinc/20/69/86/333206986.db2.gz NVNTTYZIQVYHOP-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CSc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1C ZINC000497805383 333293872 /nfs/dbraw/zinc/29/38/72/333293872.db2.gz MOWULDTZOJVLAK-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccccc2N2CCCCC2)c1 ZINC000184133116 333342053 /nfs/dbraw/zinc/34/20/53/333342053.db2.gz NOPMGUKRAIOHNB-UHFFFAOYSA-N -1 3 300.377 4.134 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1Br ZINC000184136349 333342086 /nfs/dbraw/zinc/34/20/86/333342086.db2.gz KREBGAASNGTJNC-JTQLQIEISA-N -1 3 324.193 4.145 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000184138122 333342341 /nfs/dbraw/zinc/34/23/41/333342341.db2.gz VOGSTQQQGMYNFY-JTQLQIEISA-N -1 3 313.294 4.401 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(-c3nccs3)cc2)c1 ZINC000184139879 333342353 /nfs/dbraw/zinc/34/23/53/333342353.db2.gz KJRPSLFQYFWCDD-UHFFFAOYSA-N -1 3 300.358 4.267 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc2c3c(cccc31)CC2 ZINC000531372743 333346863 /nfs/dbraw/zinc/34/68/63/333346863.db2.gz BNUTXAUPBVWREE-UHFFFAOYSA-N -1 3 307.324 4.035 20 0 DIADHM CCc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000188829137 333360735 /nfs/dbraw/zinc/36/07/35/333360735.db2.gz GGPWFCKJKDLPLV-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000188260295 333362333 /nfs/dbraw/zinc/36/23/33/333362333.db2.gz SZOUIJZQXFSPJU-UHFFFAOYSA-N -1 3 304.415 4.156 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c(C)c1 ZINC000188389856 333365101 /nfs/dbraw/zinc/36/51/01/333365101.db2.gz LDXRUKBILZOMGK-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)co1 ZINC000186817545 333379351 /nfs/dbraw/zinc/37/93/51/333379351.db2.gz RNURKFLQJNHAAM-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM O=C(Nc1cccc(Cl)c1)c1cn[n-]c1-c1ccsc1 ZINC000186933830 333381673 /nfs/dbraw/zinc/38/16/73/333381673.db2.gz WOCQXPOHYASCRA-UHFFFAOYSA-N -1 3 303.774 4.044 20 0 DIADHM O=C(Nc1cccc(Cl)c1)c1c[n-]nc1-c1ccsc1 ZINC000186933830 333381675 /nfs/dbraw/zinc/38/16/75/333381675.db2.gz WOCQXPOHYASCRA-UHFFFAOYSA-N -1 3 303.774 4.044 20 0 DIADHM O=C(Nc1ccc(Cl)cc1F)c1cn[n-]c1-c1ccsc1 ZINC000187004198 333383243 /nfs/dbraw/zinc/38/32/43/333383243.db2.gz NDBVHRWYNPOOAD-UHFFFAOYSA-N -1 3 321.764 4.183 20 0 DIADHM O=C(Nc1ccc(Cl)cc1F)c1c[n-]nc1-c1ccsc1 ZINC000187004198 333383244 /nfs/dbraw/zinc/38/32/44/333383244.db2.gz NDBVHRWYNPOOAD-UHFFFAOYSA-N -1 3 321.764 4.183 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cccc(C(F)(F)F)c3F)n2)cc1 ZINC000391261231 333429172 /nfs/dbraw/zinc/42/91/72/333429172.db2.gz GHYBJEXGYHOZAZ-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM COc1ccccc1-c1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000182419667 333504025 /nfs/dbraw/zinc/50/40/25/333504025.db2.gz AUWVFBUQOBMADB-UHFFFAOYSA-N -1 3 319.360 4.320 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2cc(CC)c(CC)o2)c1F ZINC000534036762 333556685 /nfs/dbraw/zinc/55/66/85/333556685.db2.gz UASYXEWOYYLZPF-UHFFFAOYSA-N -1 3 323.339 4.334 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1csc(C2CCCCC2)n1 ZINC000412263765 333745982 /nfs/dbraw/zinc/74/59/82/333745982.db2.gz ZWDVDFTYBVPBRU-UHFFFAOYSA-N -1 3 320.389 4.288 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)c4ccccc43)n[n-]2)o1 ZINC000343404671 335162691 /nfs/dbraw/zinc/16/26/91/335162691.db2.gz OPWHNTFOAJMELF-LBPRGKRZSA-N -1 3 321.380 4.132 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)c4ccccc43)[n-]n2)o1 ZINC000343404671 335162693 /nfs/dbraw/zinc/16/26/93/335162693.db2.gz OPWHNTFOAJMELF-LBPRGKRZSA-N -1 3 321.380 4.132 20 0 DIADHM C[C@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)c2c([O-])cccc21 ZINC000282799770 334137113 /nfs/dbraw/zinc/13/71/13/334137113.db2.gz RVBRDFKFHKJOER-RYUDHWBXSA-N -1 3 309.356 4.058 20 0 DIADHM CCc1ncc(C(=O)[N-]c2cc(Cl)ccc2SC)s1 ZINC000049159627 334323022 /nfs/dbraw/zinc/32/30/22/334323022.db2.gz JCVACTNWRMHMKP-UHFFFAOYSA-N -1 3 312.847 4.333 20 0 DIADHM CC(C)c1ccccc1OCCC(=O)Nc1cc(F)ccc1[O-] ZINC000534700361 334328231 /nfs/dbraw/zinc/32/82/31/334328231.db2.gz LDHXGBPQYHYTFH-UHFFFAOYSA-N -1 3 317.360 4.062 20 0 DIADHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000303669270 334329186 /nfs/dbraw/zinc/32/91/86/334329186.db2.gz OSFJWEYCDCMPJH-GFCCVEGCSA-N -1 3 303.789 4.486 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])C1(c2cccs2)CCCCC1 ZINC000534709464 334331520 /nfs/dbraw/zinc/33/15/20/334331520.db2.gz RPSNXOOAMJHXDA-UHFFFAOYSA-N -1 3 319.401 4.433 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@@H](C)COc2ccccc2)c1[O-] ZINC000534710619 334331855 /nfs/dbraw/zinc/33/18/55/334331855.db2.gz YOHBDEUWIUJUQX-LBPRGKRZSA-N -1 3 319.788 4.008 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000534729535 334332837 /nfs/dbraw/zinc/33/28/37/334332837.db2.gz YGANRRDUGRUMAG-NXEZZACHSA-N -1 3 321.726 4.353 20 0 DIADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1 ZINC000532029397 334380529 /nfs/dbraw/zinc/38/05/29/334380529.db2.gz DHKIYBJFTMKVKH-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000340796069 334386114 /nfs/dbraw/zinc/38/61/14/334386114.db2.gz JWXXCVRWSIQMGB-OAHLLOKOSA-N -1 3 322.191 4.286 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000416120793 334652476 /nfs/dbraw/zinc/65/24/76/334652476.db2.gz IFAHUVUIUUOUFU-UHFFFAOYSA-N -1 3 320.414 4.089 20 0 DIADHM O=c1nc([C@@H]2CCCCS2)[n-]c2sc(C(F)(F)F)cc21 ZINC000416411598 334667026 /nfs/dbraw/zinc/66/70/26/334667026.db2.gz KMKKJTGBXHGDGW-ZETCQYMHSA-N -1 3 320.361 4.374 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2ccn(C)c2C2CCC2)c1[O-] ZINC000343934909 335203147 /nfs/dbraw/zinc/20/31/47/335203147.db2.gz SMFBUPFTVFDXSH-UHFFFAOYSA-N -1 3 318.804 4.212 20 0 DIADHM Cc1nc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)cs1 ZINC000344670147 335270530 /nfs/dbraw/zinc/27/05/30/335270530.db2.gz CNRVURODGMAKPH-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CCCc1nc(C)c(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000347353368 335494175 /nfs/dbraw/zinc/49/41/75/335494175.db2.gz LTXGHKSXLAADPR-UHFFFAOYSA-N -1 3 310.806 4.015 20 0 DIADHM COc1cc(C)cc(-c2nc(C(C)(C)c3ccccc3)no2)c1[O-] ZINC000445472228 338495887 /nfs/dbraw/zinc/49/58/87/338495887.db2.gz PVXUVCNJFAWGDG-UHFFFAOYSA-N -1 3 324.380 4.085 20 0 DIADHM O=C(C/C=C\c1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC000536221068 335831509 /nfs/dbraw/zinc/83/15/09/335831509.db2.gz OHGMIBBHPFBLIT-UPHRSURJSA-N -1 3 305.736 4.227 20 0 DIADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000332276752 336166148 /nfs/dbraw/zinc/16/61/48/336166148.db2.gz BACHYQMJGSXRST-KRWDZBQOSA-N -1 3 324.424 4.025 20 0 DIADHM CCCN(C(=O)c1cc(C)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000332285540 336166539 /nfs/dbraw/zinc/16/65/39/336166539.db2.gz BUTDEHUNGIDRJM-QGZVFWFLSA-N -1 3 324.424 4.025 20 0 DIADHM Cc1csc([C@@H]2CCCCN2Cc2cc([O-])cc(F)c2)n1 ZINC000352001437 336187458 /nfs/dbraw/zinc/18/74/58/336187458.db2.gz GBIOTCLVZGVVLV-HNNXBMFYSA-N -1 3 306.406 4.023 20 0 DIADHM O=c1cc(C=Cc2nc(-c3ccccc3)cs2)nc(C2CC2)[n-]1 ZINC000352028099 336190533 /nfs/dbraw/zinc/19/05/33/336190533.db2.gz SQONVOHYOYBNOO-HJWRWDBZSA-N -1 3 321.405 4.354 20 0 DIADHM CSc1ccccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000194380117 338517424 /nfs/dbraw/zinc/51/74/24/338517424.db2.gz WIUDDYSJKXQTBF-GFCCVEGCSA-N -1 3 313.422 4.268 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c(-c4ccsn4)nc(=O)c23)C1 ZINC000333103215 336197993 /nfs/dbraw/zinc/19/79/93/336197993.db2.gz CPBFQINDISJMLY-MRVPVSSYSA-N -1 3 317.439 4.035 20 0 DIADHM Cc1nc2ccc(NCc3c(F)ccc([O-])c3F)cc2s1 ZINC000352172458 336198896 /nfs/dbraw/zinc/19/88/96/336198896.db2.gz SVJFFCGVMZOVNX-UHFFFAOYSA-N -1 3 306.337 4.201 20 0 DIADHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1ncoc1C1CC1 ZINC000352799319 336238522 /nfs/dbraw/zinc/23/85/22/336238522.db2.gz MNVUONNFLSIOQI-UHFFFAOYSA-N -1 3 315.131 4.250 20 0 DIADHM Cc1ccc(-c2cncc(C(=O)Nc3ccc(C)cc3[O-])c2)cc1 ZINC000532324905 336240004 /nfs/dbraw/zinc/24/00/04/336240004.db2.gz XDPRKXFDZLIXTJ-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CCC(CC)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000103260564 336240440 /nfs/dbraw/zinc/24/04/40/336240440.db2.gz CTFHIEAHEBJTHN-UHFFFAOYSA-N -1 3 302.399 4.091 20 0 DIADHM CCc1cc(C(=O)Nc2ccc(OC(C)C)cc2C)ccc1[O-] ZINC000580386781 336263787 /nfs/dbraw/zinc/26/37/87/336263787.db2.gz RKSRJPUJLKVWOK-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532700303 336267052 /nfs/dbraw/zinc/26/70/52/336267052.db2.gz AFZNKNPZHUOWIJ-WDEREUQCSA-N -1 3 307.802 4.158 20 0 DIADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1cccc(F)c1 ZINC000532838712 336272605 /nfs/dbraw/zinc/27/26/05/336272605.db2.gz ACYJFQJHHQHZCV-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccccc2)CCC1 ZINC000532838564 336272685 /nfs/dbraw/zinc/27/26/85/336272685.db2.gz ZXURXLXCKUAWLE-UHFFFAOYSA-N -1 3 301.773 4.106 20 0 DIADHM COCc1ccsc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000182596843 336274258 /nfs/dbraw/zinc/27/42/58/336274258.db2.gz SXRIVGWXDVYPLG-UHFFFAOYSA-N -1 3 319.426 4.150 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1ncsc1C(F)(F)F ZINC000526930241 336274778 /nfs/dbraw/zinc/27/47/78/336274778.db2.gz ACEADPHJRNUSOX-UHFFFAOYSA-N -1 3 312.725 4.129 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccccc2F)no1 ZINC000324945830 336274939 /nfs/dbraw/zinc/27/49/39/336274939.db2.gz SATIWUURRCQZCB-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1[O-] ZINC000389406741 336284765 /nfs/dbraw/zinc/28/47/65/336284765.db2.gz MBFKSHQGHLCEAS-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM c1csc([C@H]([N-]c2nc3ccccc3o2)c2ccccc2)n1 ZINC000301202999 336294691 /nfs/dbraw/zinc/29/46/91/336294691.db2.gz QEGKLLPKUWMETP-OAHLLOKOSA-N -1 3 307.378 4.486 20 0 DIADHM Cc1c([N-]c2nc3cc(F)ccc3o2)cnn1C1CCCC1 ZINC000302882015 336373120 /nfs/dbraw/zinc/37/31/20/336373120.db2.gz JMECNMXGVPYRND-UHFFFAOYSA-N -1 3 300.337 4.331 20 0 DIADHM Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccc1[O-] ZINC000352938859 336378457 /nfs/dbraw/zinc/37/84/57/336378457.db2.gz INEUAUHLQXJLQI-SFHVURJKSA-N -1 3 307.393 4.068 20 0 DIADHM Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)ccc1[O-] ZINC000354402635 336469577 /nfs/dbraw/zinc/46/95/77/336469577.db2.gz BYJQDTTXOBUNHS-CQSZACIVSA-N -1 3 323.314 4.124 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1cnc(-c2ccco2)s1 ZINC000354986878 336490301 /nfs/dbraw/zinc/49/03/01/336490301.db2.gz LVISVHCPWMZGKP-UHFFFAOYSA-N -1 3 324.283 4.073 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000357181336 336576151 /nfs/dbraw/zinc/57/61/51/336576151.db2.gz DIWRBEKIPSATRA-MRXNPFEDSA-N -1 3 301.773 4.023 20 0 DIADHM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000426752054 337038564 /nfs/dbraw/zinc/03/85/64/337038564.db2.gz AMYMLOLNONGECY-ZBEGNZNMSA-N -1 3 321.779 4.031 20 0 DIADHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cccc([O-])c1 ZINC000377120209 337047148 /nfs/dbraw/zinc/04/71/48/337047148.db2.gz MXGHRDHQJOCSNO-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cc2cc(F)ccc2s1 ZINC000183060064 337191253 /nfs/dbraw/zinc/19/12/53/337191253.db2.gz AVOCUGIFHXUHJN-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM Cc1cc(CCCC(=O)Nc2ccc([O-])cc2F)c(C)s1 ZINC000183285562 337192690 /nfs/dbraw/zinc/19/26/90/337192690.db2.gz GYKGAJJOVMJPCF-UHFFFAOYSA-N -1 3 307.390 4.171 20 0 DIADHM O=C(Nc1cccc2[nH]ccc21)c1cc([O-])ccc1C(F)(F)F ZINC000188850118 337275817 /nfs/dbraw/zinc/27/58/17/337275817.db2.gz MHDNAAAPQSWCEN-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM CCCc1cc(C(=O)Nc2cccc([O-])c2F)ccc1Cl ZINC000530416464 337279817 /nfs/dbraw/zinc/27/98/17/337279817.db2.gz VTRKZFPCQWBNCA-UHFFFAOYSA-N -1 3 307.752 4.390 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1cnc(-c2cccnc2)s1 ZINC000527092534 337317594 /nfs/dbraw/zinc/31/75/94/337317594.db2.gz UJBRAWQPWGPYMR-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM Cc1cc(C(=O)[N-]c2nc(-c3ccccc3Cl)cs2)on1 ZINC000036783913 337394967 /nfs/dbraw/zinc/39/49/67/337394967.db2.gz RVAUNLGWCYXJTG-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC(C)S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000133637073 337446025 /nfs/dbraw/zinc/44/60/25/337446025.db2.gz HABWOIYGFKHAIP-SECBINFHSA-N -1 3 320.439 4.447 20 0 DIADHM CC(C)Cc1csc2[nH]c(-c3cc([O-])cc(F)c3)nc(=O)c12 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315.388 4.083 20 0 DIADHM CC(C)(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426678339 338037904 /nfs/dbraw/zinc/03/79/04/338037904.db2.gz PQFROPVZLMXJHW-MRXNPFEDSA-N -1 3 317.454 4.351 20 0 DIADHM O=C([O-])C[C@H](NCc1cc2ccccc2s1)c1ccsc1 ZINC000426678508 338037978 /nfs/dbraw/zinc/03/79/78/338037978.db2.gz QHXIKKAZNQQEIH-AWEZNQCLSA-N -1 3 317.435 4.268 20 0 DIADHM Cc1ccc([C@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000426715256 338038991 /nfs/dbraw/zinc/03/89/91/338038991.db2.gz QMENSZKNRLKPJF-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1cccc(Cl)c1 ZINC000426738813 338040126 /nfs/dbraw/zinc/04/01/26/338040126.db2.gz ZCHNAPVZXLDJQW-INIZCTEOSA-N -1 3 315.756 4.002 20 0 DIADHM Cc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426755871 338040895 /nfs/dbraw/zinc/04/08/95/338040895.db2.gz GMMOTABCSLONLA-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cc(C)cc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000426764090 338041291 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Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c([O-])c1 ZINC000436576017 338278067 /nfs/dbraw/zinc/27/80/67/338278067.db2.gz PJJWLDOSVAOUTM-GUYCJALGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436579395 338278138 /nfs/dbraw/zinc/27/81/38/338278138.db2.gz YYQITXPEMPAOEE-SCLBCKFNSA-N -1 3 313.372 4.063 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C)cc1[O-] ZINC000436583878 338278455 /nfs/dbraw/zinc/27/84/55/338278455.db2.gz KVMCHEUWXADVGZ-KRWDZBQOSA-N -1 3 311.425 4.184 20 0 DIADHM CCc1ccnc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000436591370 338278899 /nfs/dbraw/zinc/27/88/99/338278899.db2.gz PWSTYTJLIBJYLR-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436595087 338279197 /nfs/dbraw/zinc/27/91/97/338279197.db2.gz KYOOQZPIGZQFJN-YPMHNXCESA-N -1 3 302.374 4.135 20 0 DIADHM CC[C@H]1CCCC[C@@H]1c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436595080 338279203 /nfs/dbraw/zinc/27/92/03/338279203.db2.gz 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/nfs/dbraw/zinc/28/04/31/338280431.db2.gz JHLSBBWVLBTFNB-UHFFFAOYSA-N -1 3 321.779 4.074 20 0 DIADHM O=C(Nc1cccc(-c2cccs2)c1)c1c([O-])cccc1O ZINC000436646203 338281312 /nfs/dbraw/zinc/28/13/12/338281312.db2.gz FPAJNLBWEVMZPR-UHFFFAOYSA-N -1 3 311.362 4.079 20 0 DIADHM CCN(C[C@@H](C)OC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436658397 338281854 /nfs/dbraw/zinc/28/18/54/338281854.db2.gz ZTXAOJRLBXURBA-CQSZACIVSA-N -1 3 321.461 4.136 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c([O-])c1 ZINC000436680164 338282514 /nfs/dbraw/zinc/28/25/14/338282514.db2.gz IYLZNGZYORHNHG-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1 ZINC000436675604 338282538 /nfs/dbraw/zinc/28/25/38/338282538.db2.gz LOCGTWOSTAURER-FQEVSTJZSA-N -1 3 313.441 4.478 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC000436682130 338282595 /nfs/dbraw/zinc/28/25/95/338282595.db2.gz PHBSUFZADREOQV-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM CC(C)[C@@H]1CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436692725 338283080 /nfs/dbraw/zinc/28/30/80/338283080.db2.gz ZRYUNRRDTAYMCF-KRWDZBQOSA-N -1 3 311.381 4.055 20 0 DIADHM CC(C)[C@H]1CCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436692727 338283197 /nfs/dbraw/zinc/28/31/97/338283197.db2.gz ZRYUNRRDTAYMCF-QGZVFWFLSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c([O-])c1C ZINC000436707046 338283447 /nfs/dbraw/zinc/28/34/47/338283447.db2.gz SZQISFPBWXENMT-UHFFFAOYSA-N -1 3 315.438 4.090 20 0 DIADHM CCNc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436705920 338283600 /nfs/dbraw/zinc/28/36/00/338283600.db2.gz OSJPQKYLBVKRSK-UHFFFAOYSA-N -1 3 318.804 4.292 20 0 DIADHM CCCC[C@H](C)N(CCCC)C(=O)c1ccc([O-])c(OC)c1 ZINC000436710789 338283652 /nfs/dbraw/zinc/28/36/52/338283652.db2.gz YWLRDFXIOSOEKZ-AWEZNQCLSA-N -1 3 307.434 4.222 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nc2ccccc12 ZINC000436714729 338283888 /nfs/dbraw/zinc/28/38/88/338283888.db2.gz NJWFEVOAKDEHKZ-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000436721212 338284180 /nfs/dbraw/zinc/28/41/80/338284180.db2.gz WAGODKZQEKUMIK-HOTGVXAUSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c1 ZINC000436727695 338284472 /nfs/dbraw/zinc/28/44/72/338284472.db2.gz BPAXZQPHNWXHHI-FZKQIMNGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c1 ZINC000436748619 338285109 /nfs/dbraw/zinc/28/51/09/338285109.db2.gz GXIGUKSMCMJMFT-WBVHZDCISA-N -1 3 309.409 4.109 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)C2CCC(F)(F)CC2)c([O-])c1 ZINC000436746466 338285242 /nfs/dbraw/zinc/28/52/42/338285242.db2.gz HHQQITFHSGNRED-UHFFFAOYSA-N -1 3 311.372 4.166 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436753088 338285305 /nfs/dbraw/zinc/28/53/05/338285305.db2.gz CFPITFXUKYFDFV-ZDUSSCGKSA-N -1 3 309.365 4.280 20 0 DIADHM Cc1ccc(C(=O)N2CCCSc3ccccc32)c([O-])c1C ZINC000436752448 338285337 /nfs/dbraw/zinc/28/53/37/338285337.db2.gz AGTNRGWUQLGYCN-UHFFFAOYSA-N -1 3 313.422 4.152 20 0 DIADHM CC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436754323 338285661 /nfs/dbraw/zinc/28/56/61/338285661.db2.gz IOPCFIRNJSKHSL-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccccc1[O-] ZINC000436759395 338286008 /nfs/dbraw/zinc/28/60/08/338286008.db2.gz AVCUHSHDLOSOBF-NSHDSACASA-N -1 3 323.314 4.244 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c([O-])c1C ZINC000436759893 338286011 /nfs/dbraw/zinc/28/60/11/338286011.db2.gz HXIUYQGJFFHREK-GFCCVEGCSA-N -1 3 319.351 4.120 20 0 DIADHM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436759493 338286077 /nfs/dbraw/zinc/28/60/77/338286077.db2.gz YTHWIXHQIKKTDY-NSHDSACASA-N -1 3 323.314 4.244 20 0 DIADHM C[C@H](Oc1ccccc1Cl)c1nc(-c2ccc([O-])cc2)no1 ZINC000436767071 338286360 /nfs/dbraw/zinc/28/63/60/338286360.db2.gz DWXZXKQCGDSPBR-JTQLQIEISA-N -1 3 316.744 4.236 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cccc(Cl)c3)n2)cc1 ZINC000436770986 338286735 /nfs/dbraw/zinc/28/67/35/338286735.db2.gz WPMXDGGYRPLDHB-GJZGRUSLSA-N -1 3 312.756 4.367 20 0 DIADHM Cc1nc(CC(C)C)sc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436770687 338286745 /nfs/dbraw/zinc/28/67/45/338286745.db2.gz SQCUEIFPCSOWDW-UHFFFAOYSA-N -1 3 315.398 4.073 20 0 DIADHM CC(C)OCc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770660 338286766 /nfs/dbraw/zinc/28/67/66/338286766.db2.gz SLHBPNFYPPEUSR-UHFFFAOYSA-N -1 3 310.353 4.034 20 0 DIADHM COc1cc(-c2noc(-c3cccc(C(F)F)c3)n2)ccc1[O-] ZINC000436787386 338287306 /nfs/dbraw/zinc/28/73/06/338287306.db2.gz VXLFCBSUQFACSE-UHFFFAOYSA-N -1 3 318.279 4.055 20 0 DIADHM Cc1ccc2oc(C(=O)Nc3cc(C(C)(C)C)ccc3[O-])cc2n1 ZINC000436791010 338287411 /nfs/dbraw/zinc/28/74/11/338287411.db2.gz IVLMIMNRKIOAEI-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM COc1cc(-c2noc(-c3cc4cc(C)ccc4o3)n2)ccc1[O-] ZINC000436787840 338287413 /nfs/dbraw/zinc/28/74/13/338287413.db2.gz YYFFWKBGNKTPDO-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1[O-] ZINC000436788936 338287480 /nfs/dbraw/zinc/28/74/80/338287480.db2.gz AEAHQKGSHSGGCR-KRWDZBQOSA-N -1 3 309.409 4.111 20 0 DIADHM COc1cc(-c2noc(-c3cc4cccc(C)c4o3)n2)ccc1[O-] ZINC000436792227 338287638 /nfs/dbraw/zinc/28/76/38/338287638.db2.gz WAXGGNYJDLTPOX-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000436803505 338287916 /nfs/dbraw/zinc/28/79/16/338287916.db2.gz PLAPOEXRGDHTLR-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM Cc1ccc(C(=O)N(C)c2ccc(F)c(Cl)c2)c([O-])c1C ZINC000436818486 338288463 /nfs/dbraw/zinc/28/84/63/338288463.db2.gz VHJOXAVHSUJEKY-UHFFFAOYSA-N -1 3 307.752 4.078 20 0 DIADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436825408 338288861 /nfs/dbraw/zinc/28/88/61/338288861.db2.gz GMCSPZJOVDRZCP-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436829537 338288950 /nfs/dbraw/zinc/28/89/50/338288950.db2.gz BHFURQAPALLCFU-RDTXWAMCSA-N -1 3 323.392 4.199 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436832137 338288968 /nfs/dbraw/zinc/28/89/68/338288968.db2.gz ZBSDLPZVADLHNE-MAUKXSAKSA-N -1 3 309.409 4.027 20 0 DIADHM CCc1ccc(-c2nc(-c3ccccc3Cl)no2)c([O-])c1 ZINC000436837362 338289416 /nfs/dbraw/zinc/28/94/16/338289416.db2.gz GIYMQRRCNAQACU-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM CCc1ccc(C(=O)N(CC)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000436841704 338289471 /nfs/dbraw/zinc/28/94/71/338289471.db2.gz UOZRTYBGVPGRFN-UHFFFAOYSA-N -1 3 322.408 4.098 20 0 DIADHM CCc1ccc(-c2nc(-c3nccc4ccccc43)no2)c([O-])c1 ZINC000436840397 338289587 /nfs/dbraw/zinc/28/95/87/338289587.db2.gz QMTOSGHWFMVARN-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CCc1ccc(-c2nc([C@@H](C)c3cccs3)no2)c([O-])c1 ZINC000436862489 338290293 /nfs/dbraw/zinc/29/02/93/338290293.db2.gz ZDIZXOFDCVPFQE-JTQLQIEISA-N -1 3 300.383 4.218 20 0 DIADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1c[nH]c2ccccc21 ZINC000436870633 338290805 /nfs/dbraw/zinc/29/08/05/338290805.db2.gz OEIYKMWDBUCXJQ-LBPRGKRZSA-N -1 3 319.364 4.270 20 0 DIADHM CCOc1cc(-c2noc([C@H]3CCCC3(C)C)n2)ccc1[O-] ZINC000436870184 338290867 /nfs/dbraw/zinc/29/08/67/338290867.db2.gz GPDDIIAJRPPPKS-GFCCVEGCSA-N -1 3 302.374 4.135 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1[O-] ZINC000436874220 338291174 /nfs/dbraw/zinc/29/11/74/338291174.db2.gz ZYAOBDFYGHJRKI-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CCOc1cc(-c2noc([C@H](C)Cc3ccccc3)n2)ccc1[O-] ZINC000436880173 338291397 /nfs/dbraw/zinc/29/13/97/338291397.db2.gz PSPBWCNIOQWCBN-CYBMUJFWSA-N -1 3 324.380 4.187 20 0 DIADHM COc1ccccc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436886034 338291851 /nfs/dbraw/zinc/29/18/51/338291851.db2.gz JLSTXZZFRNVAIK-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM COc1cc(C)cc(-c2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC000436890384 338292067 /nfs/dbraw/zinc/29/20/67/338292067.db2.gz ZUBJNKSVRVRHMC-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000436890989 338292099 /nfs/dbraw/zinc/29/20/99/338292099.db2.gz GXMONOAZUWQKQK-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c([O-])c1C ZINC000436890522 338292128 /nfs/dbraw/zinc/29/21/28/338292128.db2.gz CCMSGAYTYVCRGA-UHFFFAOYSA-N -1 3 307.393 4.091 20 0 DIADHM COc1cccc(-c2nc(Cc3ccc(C(C)C)cc3)no2)c1[O-] ZINC000436892228 338292152 /nfs/dbraw/zinc/29/21/52/338292152.db2.gz JALJEZOKMVZUMP-UHFFFAOYSA-N -1 3 324.380 4.165 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2C)c([O-])c1 ZINC000436898940 338292572 /nfs/dbraw/zinc/29/25/72/338292572.db2.gz IHDVWMMPUUTWOA-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1ccc(-c2nc(-c3nccc4ccccc43)no2)c([O-])c1C ZINC000436898492 338292594 /nfs/dbraw/zinc/29/25/94/338292594.db2.gz YBMLNNVGQKOYJY-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3ccc([O-])c(C)c3)ccc21 ZINC000436905104 338292807 /nfs/dbraw/zinc/29/28/07/338292807.db2.gz YRQJJZKUDPZSRB-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM CSc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1Cl ZINC000436903581 338292822 /nfs/dbraw/zinc/29/28/22/338292822.db2.gz NAMYSGRSMBOOBE-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3OCC(C)C)no2)c([O-])c1 ZINC000436908422 338293047 /nfs/dbraw/zinc/29/30/47/338293047.db2.gz INAFRFQKEWRKFN-UHFFFAOYSA-N -1 3 324.380 4.452 20 0 DIADHM Cc1cc([O-])ccc1-c1nc(=O)c2c(CC(C)C)csc2[nH]1 ZINC000436920929 338293368 /nfs/dbraw/zinc/29/33/68/338293368.db2.gz HZZATMFRANNNSM-UHFFFAOYSA-N -1 3 314.410 4.276 20 0 DIADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc([O-])c(C)c2)c1C ZINC000436924903 338293657 /nfs/dbraw/zinc/29/36/57/338293657.db2.gz HIFRXIKXOLNIJE-UHFFFAOYSA-N -1 3 322.408 4.037 20 0 DIADHM Cc1ccc(-c2nc([C@@H](C)c3c(F)cccc3F)no2)c([O-])c1 ZINC000436928855 338293995 /nfs/dbraw/zinc/29/39/95/338293995.db2.gz CMFVSGIGPZBFBQ-JTQLQIEISA-N -1 3 316.307 4.181 20 0 DIADHM Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000436928675 338293999 /nfs/dbraw/zinc/29/39/99/338293999.db2.gz WQQOUKHQYXNMKD-KPZWWZAWSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c([O-])c1C ZINC000436928353 338294004 /nfs/dbraw/zinc/29/40/04/338294004.db2.gz ASBHHIGOQVQSFI-CYBMUJFWSA-N -1 3 310.353 4.199 20 0 DIADHM CCCCOc1ccc(NC(=O)c2ccc([O-])c(C)c2)c(C)c1 ZINC000436928975 338294034 /nfs/dbraw/zinc/29/40/34/338294034.db2.gz SRIQZUPXBAZKGW-UHFFFAOYSA-N -1 3 313.397 4.440 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(Cl)ccc3C)no2)c([O-])c1 ZINC000436937026 338294402 /nfs/dbraw/zinc/29/44/02/338294402.db2.gz HDLWNLHBAPDFLQ-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436939924 338294869 /nfs/dbraw/zinc/29/48/69/338294869.db2.gz SBEQRZMTSRRXPI-GOSISDBHSA-N -1 3 311.425 4.102 20 0 DIADHM CCS[C@@H](C)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436946234 338295108 /nfs/dbraw/zinc/29/51/08/338295108.db2.gz RDXJMGCCCUGHEB-JTQLQIEISA-N -1 3 300.383 4.410 20 0 DIADHM COc1cc(C)cc(-c2nc(C[C@@H](C)c3ccccc3)no2)c1[O-] ZINC000436944684 338295211 /nfs/dbraw/zinc/29/52/11/338295211.db2.gz KXLRDIRQXCVWMN-CYBMUJFWSA-N -1 3 324.380 4.105 20 0 DIADHM O=C1CCCCc2cc(-c3nc(-c4ccc([O-])cc4)no3)ccc21 ZINC000436947952 338295271 /nfs/dbraw/zinc/29/52/71/338295271.db2.gz MWFAGPZZVCLUCN-UHFFFAOYSA-N -1 3 320.348 4.018 20 0 DIADHM Cc1ccc(CN(C(=O)c2cccc(C)c2[O-])C2CC2)cc1C ZINC000436954460 338295704 /nfs/dbraw/zinc/29/57/04/338295704.db2.gz HCQPHPKADAYGHX-UHFFFAOYSA-N -1 3 309.409 4.122 20 0 DIADHM CCCc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccn1 ZINC000436983082 338296609 /nfs/dbraw/zinc/29/66/09/338296609.db2.gz VIZPCDZBDLIBBI-UHFFFAOYSA-N -1 3 324.302 4.011 20 0 DIADHM CCOc1cc(-c2nc3c(ccc(F)c3F)[nH]2)cc(Cl)c1[O-] ZINC000436983994 338296735 /nfs/dbraw/zinc/29/67/35/338296735.db2.gz YCHBFKIMKNPXEA-UHFFFAOYSA-N -1 3 324.714 4.266 20 0 DIADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)c1ccc2cc[nH]c2c1 ZINC000437000248 338297352 /nfs/dbraw/zinc/29/73/52/338297352.db2.gz OUIUKMNMVXBYHD-UHFFFAOYSA-N -1 3 320.392 4.029 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)c([O-])c1 ZINC000437003322 338297405 /nfs/dbraw/zinc/29/74/05/338297405.db2.gz SNURLHIVHDRFEO-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CC[C@@H](C)n1nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1C ZINC000437006785 338297460 /nfs/dbraw/zinc/29/74/60/338297460.db2.gz SKDWIMHHOCBOOK-SNVBAGLBSA-N -1 3 321.808 4.082 20 0 DIADHM Cc1ccc(NC(=O)c2ncsc2-c2ccccc2)c([O-])c1 ZINC000437631637 338316741 /nfs/dbraw/zinc/31/67/41/338316741.db2.gz VLPXHGKZONIRBH-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000437679975 338318047 /nfs/dbraw/zinc/31/80/47/338318047.db2.gz KGVSJFQEGWDPEY-UHFFFAOYSA-N -1 3 315.847 4.155 20 0 DIADHM CC1(C)Cc2ccc(C(=O)Nc3ccsc3Cl)c([O-])c2O1 ZINC000438573322 338348802 /nfs/dbraw/zinc/34/88/02/338348802.db2.gz YJJINBLTBRIOEN-UHFFFAOYSA-N -1 3 323.801 4.073 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1 ZINC000440296133 338385238 /nfs/dbraw/zinc/38/52/38/338385238.db2.gz SBIYRDKZRBKATI-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CCCc1ncc(C(=O)[N-]c2cc(Cl)cc(F)c2F)s1 ZINC000441565753 338416846 /nfs/dbraw/zinc/41/68/46/338416846.db2.gz MEDPBMHUZYNQOH-UHFFFAOYSA-N -1 3 316.760 4.280 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c([O-])c1C ZINC000447065594 338544023 /nfs/dbraw/zinc/54/40/23/338544023.db2.gz HZILIDBWWLHPOC-HNNXBMFYSA-N -1 3 311.425 4.021 20 0 DIADHM Cc1ccc(C(=O)N2CCCc3cccc([O-])c32)c(F)c1Cl ZINC000447538071 338555164 /nfs/dbraw/zinc/55/51/64/338555164.db2.gz ANFPVDBARDKZAM-UHFFFAOYSA-N -1 3 319.763 4.086 20 0 DIADHM C[C@H]1CC2(CCC2)CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451203242 338725826 /nfs/dbraw/zinc/72/58/26/338725826.db2.gz YXKRAFYKLPPYRW-HNNXBMFYSA-N -1 3 323.436 4.269 20 0 DIADHM CC(C)=CCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452538376 338770485 /nfs/dbraw/zinc/77/04/85/338770485.db2.gz CJHKGHPVKGRRBP-CQSZACIVSA-N -1 3 307.409 4.105 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC000458092859 338988141 /nfs/dbraw/zinc/98/81/41/338988141.db2.gz QFNSXJMQDDAUHN-SJLPKXTDSA-N -1 3 309.409 4.109 20 0 DIADHM O=c1cc(CN[C@@H](CC2CCC2)c2ccccc2)nc(C2CC2)[n-]1 ZINC000459389730 339026560 /nfs/dbraw/zinc/02/65/60/339026560.db2.gz AJXRWPGRDSHBRZ-SFHVURJKSA-N -1 3 323.440 4.081 20 0 DIADHM [O-]c1cccc(CNc2cccc(C3CC3)n2)c1Br ZINC000459584438 339037323 /nfs/dbraw/zinc/03/73/23/339037323.db2.gz HCRXGCHOILWMIJ-UHFFFAOYSA-N -1 3 319.202 4.039 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1c(C)onc1C1CC1 ZINC000460057812 339052282 /nfs/dbraw/zinc/05/22/82/339052282.db2.gz QFXZVZOBLDTNIC-UHFFFAOYSA-N -1 3 322.817 4.488 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(F)c(Cl)cc3F)n2)cc1 ZINC000167607504 339053467 /nfs/dbraw/zinc/05/34/67/339053467.db2.gz ZGBLXHQUYFOXQY-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000461684209 339065718 /nfs/dbraw/zinc/06/57/18/339065718.db2.gz JJDREOQVWCFJLM-KRWDZBQOSA-N -1 3 323.436 4.220 20 0 DIADHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462720628 339084735 /nfs/dbraw/zinc/08/47/35/339084735.db2.gz QGZITZAMIWNVMZ-VHSXEESVSA-N -1 3 324.273 4.096 20 0 DIADHM O=C([N-]c1cc(Cl)c(Cl)cc1F)c1ncc(F)cc1F ZINC000466590927 339210061 /nfs/dbraw/zinc/21/00/61/339210061.db2.gz XHMPMDRVMFMTOE-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H](c2ccncc2)C(C)C)c1[O-] ZINC000468104467 339254219 /nfs/dbraw/zinc/25/42/19/339254219.db2.gz WVRWILMJEAWDRX-HNNXBMFYSA-N -1 3 318.804 4.127 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000468336959 339260144 /nfs/dbraw/zinc/26/01/44/339260144.db2.gz HVXKCEFMDPPMOB-UHFFFAOYSA-N -1 3 323.314 4.291 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468392788 339261516 /nfs/dbraw/zinc/26/15/16/339261516.db2.gz NQGIVFXTOBIARE-AWEZNQCLSA-N -1 3 315.388 4.040 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCCC1 ZINC000468645754 339267975 /nfs/dbraw/zinc/26/79/75/339267975.db2.gz RSDUSRWEFNNOHO-KRWDZBQOSA-N -1 3 319.420 4.035 20 0 DIADHM Cc1cc(C)c(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1 ZINC000468651816 339268105 /nfs/dbraw/zinc/26/81/05/339268105.db2.gz MZLYLUHDCNBZII-UHFFFAOYSA-N -1 3 315.388 4.418 20 0 DIADHM CC(C)[C@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468890112 339273843 /nfs/dbraw/zinc/27/38/43/339273843.db2.gz JJLAOYGHQBRDCQ-HOTGVXAUSA-N -1 3 321.436 4.185 20 0 DIADHM CC(C)c1cccnc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468949037 339275685 /nfs/dbraw/zinc/27/56/85/339275685.db2.gz KOBVRHUTRRKFTR-UHFFFAOYSA-N -1 3 316.376 4.011 20 0 DIADHM CC[C@H](C)[C@H](C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000469026511 339277980 /nfs/dbraw/zinc/27/79/80/339277980.db2.gz QPFIMWLTRNUWET-KBPBESRZSA-N -1 3 321.436 4.280 20 0 DIADHM CN(CCC1CCCCC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469166601 339281902 /nfs/dbraw/zinc/28/19/02/339281902.db2.gz MRASRVOTOPGOAL-UHFFFAOYSA-N -1 3 321.436 4.283 20 0 DIADHM Cc1cccc(C)c1CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000469183723 339282492 /nfs/dbraw/zinc/28/24/92/339282492.db2.gz FSFKHWTURYSFGK-OAHLLOKOSA-N -1 3 309.409 4.092 20 0 DIADHM C[C@H]1CCN(C(=O)CCCc2ccccc2)c2c([O-])cccc21 ZINC000469188457 339282514 /nfs/dbraw/zinc/28/25/14/339282514.db2.gz ZGUDSPLRNKRCIE-HNNXBMFYSA-N -1 3 309.409 4.255 20 0 DIADHM CC(C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000469221647 339283476 /nfs/dbraw/zinc/28/34/76/339283476.db2.gz XSXJSPZKRXDOAM-UHFFFAOYSA-N -1 3 307.409 4.034 20 0 DIADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469369464 339287069 /nfs/dbraw/zinc/28/70/69/339287069.db2.gz NGRQWXSUTBELMC-KMFMINBZSA-N -1 3 319.420 4.034 20 0 DIADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469396537 339287779 /nfs/dbraw/zinc/28/77/79/339287779.db2.gz YNXCQVSTTCCBJZ-PBHICJAKSA-N -1 3 321.436 4.281 20 0 DIADHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469414561 339288333 /nfs/dbraw/zinc/28/83/33/339288333.db2.gz SRYNOFASIYXTJO-WMLDXEAASA-N -1 3 321.436 4.281 20 0 DIADHM CC(C)c1ccc([C@@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471394885 339344092 /nfs/dbraw/zinc/34/40/92/339344092.db2.gz UHYIBCNKFBYZLI-HNNXBMFYSA-N -1 3 318.442 4.099 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000473130701 339381895 /nfs/dbraw/zinc/38/18/95/339381895.db2.gz CYHFJHWHNAVSJG-HNNXBMFYSA-N -1 3 313.294 4.267 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])C1(Cc2cccc(F)c2)CCC1 ZINC000481676886 339609445 /nfs/dbraw/zinc/60/94/45/339609445.db2.gz NGCJIJXIGJTDHB-UHFFFAOYSA-N -1 3 317.335 4.022 20 0 DIADHM O=C(c1cc2cc(Cl)sc2[n-]1)N1CCCc2ccccc21 ZINC000485409344 339702800 /nfs/dbraw/zinc/70/28/00/339702800.db2.gz ROMUECARMMPDNP-UHFFFAOYSA-N -1 3 316.813 4.476 20 0 DIADHM CCc1cc(C(=O)Nc2c(C)cccc2OC(F)F)ccc1[O-] ZINC000486041210 339719118 /nfs/dbraw/zinc/71/91/18/339719118.db2.gz WCCUXAXOHNZBTA-UHFFFAOYSA-N -1 3 321.323 4.117 20 0 DIADHM CCc1cc(C(=O)Nc2ccc(OC(C)C)cc2F)ccc1[O-] ZINC000486052981 339719399 /nfs/dbraw/zinc/71/93/99/339719399.db2.gz LSJMCNNWTDYPNI-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM CCc1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[O-] ZINC000486599286 339729632 /nfs/dbraw/zinc/72/96/32/339729632.db2.gz GOWKOENQGFDOCC-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM Cc1csc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000498503967 339743424 /nfs/dbraw/zinc/74/34/24/339743424.db2.gz FMRHLSJPNMZIRQ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1cc2c([n-]c(-c3cc(C)c4ccccc4n3)nc2=O)s1 ZINC000487516471 339755457 /nfs/dbraw/zinc/75/54/57/339755457.db2.gz MPMILWDXGKHNGT-UHFFFAOYSA-N -1 3 321.405 4.483 20 0 DIADHM CC(C)n1ncc(C(=O)Nc2ccccc2[O-])c1-c1ccccc1 ZINC000488571829 339788118 /nfs/dbraw/zinc/78/81/18/339788118.db2.gz YLRRVCAIFGQFKJ-UHFFFAOYSA-N -1 3 321.380 4.089 20 0 DIADHM COc1ccc(CCCCC(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490698421 339837884 /nfs/dbraw/zinc/83/78/84/339837884.db2.gz XNKNMVNMBSPGFR-UHFFFAOYSA-N -1 3 313.397 4.061 20 0 DIADHM CCN(c1ccc(C(=O)Nc2c(C)cccc2[O-])cc1)C(C)C ZINC000490710785 339838108 /nfs/dbraw/zinc/83/81/08/339838108.db2.gz OWCZMCWIZLLILF-UHFFFAOYSA-N -1 3 312.413 4.188 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000490760169 339839600 /nfs/dbraw/zinc/83/96/00/339839600.db2.gz UDBJEJNRCJMBET-UKPHBRMFSA-N -1 3 319.445 4.117 20 0 DIADHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000493876145 339935352 /nfs/dbraw/zinc/93/53/52/339935352.db2.gz BKJHHIYWQNGOLD-GTNSWQLSSA-N -1 3 315.800 4.099 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1CC ZINC000494332744 339946739 /nfs/dbraw/zinc/94/67/39/339946739.db2.gz LYSPNYWIDOSTJQ-UHFFFAOYSA-N -1 3 321.417 4.060 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1 ZINC000495409276 339983481 /nfs/dbraw/zinc/98/34/81/339983481.db2.gz NZYAQMASNSMFKZ-SFHVURJKSA-N -1 3 307.393 4.068 20 0 DIADHM Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)ccc1[O-] ZINC000499605640 340040793 /nfs/dbraw/zinc/04/07/93/340040793.db2.gz RPSYEZIVYLVGGI-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2OC2CCCC2)ccc1[O-] ZINC000499694152 340042887 /nfs/dbraw/zinc/04/28/87/340042887.db2.gz DCOXCDKRNUJHEQ-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM CC(C)Oc1ccccc1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000499746540 340043915 /nfs/dbraw/zinc/04/39/15/340043915.db2.gz DIGFAANDFWEMNK-UHFFFAOYSA-N -1 3 319.788 4.014 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2CCC(F)(F)F)ccc1[O-] ZINC000499851363 340045865 /nfs/dbraw/zinc/04/58/65/340045865.db2.gz XDISDYHSPMADAY-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000499983924 340048124 /nfs/dbraw/zinc/04/81/24/340048124.db2.gz QQPWOJPINBVAPO-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[O-] ZINC000500174431 340052067 /nfs/dbraw/zinc/05/20/67/340052067.db2.gz UBLUFPPVPXCTJN-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2C)ccc1[O-] ZINC000500306888 340054981 /nfs/dbraw/zinc/05/49/81/340054981.db2.gz SMRWFFNCLYSNSU-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Cc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1C1CC1 ZINC000501054618 340073269 /nfs/dbraw/zinc/07/32/69/340073269.db2.gz DKRPYANLTWXJOJ-UHFFFAOYSA-N -1 3 301.773 4.484 20 0 DIADHM Cc1ccc(F)c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1F ZINC000501724931 340087387 /nfs/dbraw/zinc/08/73/87/340087387.db2.gz APJXXEAEKGJLFO-UHFFFAOYSA-N -1 3 311.715 4.193 20 0 DIADHM CSc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC000501739678 340087584 /nfs/dbraw/zinc/08/75/84/340087584.db2.gz ORGDKBCICYHKRZ-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM COCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1 ZINC000501949111 340091322 /nfs/dbraw/zinc/09/13/22/340091322.db2.gz ONBHWPDDRJGPMQ-UHFFFAOYSA-N -1 3 313.397 4.088 20 0 DIADHM CC(C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000504894409 340154957 /nfs/dbraw/zinc/15/49/57/340154957.db2.gz LJORPHYCSBXWCL-UHFFFAOYSA-N -1 3 317.307 4.056 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000505367929 340167209 /nfs/dbraw/zinc/16/72/09/340167209.db2.gz YCYNPFJCDCJTJI-MQNTZWLQSA-N -1 3 307.393 4.019 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2c(F)cc(F)cc2F)c([O-])c1 ZINC000506222560 340189263 /nfs/dbraw/zinc/18/92/63/340189263.db2.gz FMNOSOYQYDVNGT-UHFFFAOYSA-N -1 3 323.314 4.359 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCc3cccnc32)c([O-])c1 ZINC000506232169 340189390 /nfs/dbraw/zinc/18/93/90/340189390.db2.gz QDNXQXHLFZNFNT-OAHLLOKOSA-N -1 3 324.424 4.143 20 0 DIADHM COc1cccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)c1 ZINC000507077670 340206674 /nfs/dbraw/zinc/20/66/74/340206674.db2.gz MGPOJZGZSABBDG-MRXNPFEDSA-N -1 3 319.351 4.016 20 0 DIADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000507205242 340213257 /nfs/dbraw/zinc/21/32/57/340213257.db2.gz UZDNERDIQPMGGZ-LBPRGKRZSA-N -1 3 324.346 4.307 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c(-c4ccco4)nc(=O)c23)C1 ZINC000507722158 340229670 /nfs/dbraw/zinc/22/96/70/340229670.db2.gz IRKODMDBRBRQLS-SECBINFHSA-N -1 3 300.383 4.172 20 0 DIADHM COc1ccccc1[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000508187900 340240202 /nfs/dbraw/zinc/24/02/02/340240202.db2.gz RYWQWAKJFGNXAF-HNNXBMFYSA-N -1 3 319.351 4.016 20 0 DIADHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000508278140 340241837 /nfs/dbraw/zinc/24/18/37/340241837.db2.gz BNDBOIUGQOWZIG-CYBMUJFWSA-N -1 3 317.816 4.057 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H](c3ccccc3F)C2)c1Cl ZINC000508355968 340242717 /nfs/dbraw/zinc/24/27/17/340242717.db2.gz UKWWHYIDXDJOHD-GFCCVEGCSA-N -1 3 305.780 4.174 20 0 DIADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(Cl)cc1 ZINC000508515200 340245323 /nfs/dbraw/zinc/24/53/23/340245323.db2.gz ZSYTYMNVPSVAIQ-SNVBAGLBSA-N -1 3 324.207 4.119 20 0 DIADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(Cl)cc1 ZINC000508515198 340245409 /nfs/dbraw/zinc/24/54/09/340245409.db2.gz ZSYTYMNVPSVAIQ-JTQLQIEISA-N -1 3 324.207 4.119 20 0 DIADHM CCc1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508538277 340246261 /nfs/dbraw/zinc/24/62/61/340246261.db2.gz LZNUEFLUIIXGJQ-LBPRGKRZSA-N -1 3 317.816 4.028 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000508605199 340247809 /nfs/dbraw/zinc/24/78/09/340247809.db2.gz KDHZAULPOGDSEW-CYBMUJFWSA-N -1 3 317.816 4.082 20 0 DIADHM CCCN(Cc1nc(C)ccc1[O-])[C@@H](C)c1ccccc1OC ZINC000508610670 340248042 /nfs/dbraw/zinc/24/80/42/340248042.db2.gz YNYHCRGJVGNCQD-HNNXBMFYSA-N -1 3 314.429 4.077 20 0 DIADHM Cc1ccc(Oc2ccc(NC(=O)c3cccc([O-])c3)cn2)cc1 ZINC000508771877 340252845 /nfs/dbraw/zinc/25/28/45/340252845.db2.gz ZXZIKQXGDOBPCN-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CN(Cc1cc2ccccc2o1)Cc1c(F)ccc([O-])c1F ZINC000508777437 340253072 /nfs/dbraw/zinc/25/30/72/340253072.db2.gz DMWGZMIKTADBET-UHFFFAOYSA-N -1 3 303.308 4.049 20 0 DIADHM CN(C(=O)c1cccc([O-])c1)C1c2ccccc2-c2ccccc21 ZINC000509016241 340258313 /nfs/dbraw/zinc/25/83/13/340258313.db2.gz NCXOXORBTXJZPE-UHFFFAOYSA-N -1 3 315.372 4.234 20 0 DIADHM CC1CCC(N(C(=O)Cc2ccc([O-])cc2Cl)C2CC2)CC1 ZINC000509066758 340260215 /nfs/dbraw/zinc/26/02/15/340260215.db2.gz FQIQIIIKFXRSBL-UHFFFAOYSA-N -1 3 321.848 4.158 20 0 DIADHM CCC(CC)[C@H](NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000509083712 340260826 /nfs/dbraw/zinc/26/08/26/340260826.db2.gz SLNLWLQLRAXEHC-INIZCTEOSA-N -1 3 303.427 4.361 20 0 DIADHM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000509139419 340262161 /nfs/dbraw/zinc/26/21/61/340262161.db2.gz OVBKJQFYVIEWOP-NVGVWMPQSA-N -1 3 315.800 4.173 20 0 DIADHM CCC(C)(C)[C@H]1CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509164542 340262838 /nfs/dbraw/zinc/26/28/38/340262838.db2.gz HRWXHAUYAYVZSL-OAHLLOKOSA-N -1 3 309.837 4.015 20 0 DIADHM CSCCc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000509432707 340269293 /nfs/dbraw/zinc/26/92/93/340269293.db2.gz RTZSSJJXZJGVIR-UHFFFAOYSA-N -1 3 309.381 4.188 20 0 DIADHM CSc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000512165951 340350331 /nfs/dbraw/zinc/35/03/31/340350331.db2.gz IRLOEVKFLUQWDX-JTQLQIEISA-N -1 3 321.829 4.259 20 0 DIADHM CSc1ccccc1[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000512542884 340366191 /nfs/dbraw/zinc/36/61/91/340366191.db2.gz WHSHQULKZWOLKL-JTQLQIEISA-N -1 3 321.829 4.259 20 0 DIADHM [O-]c1ccc(F)c(CNc2cc(F)ccc2OCC2CC2)c1F ZINC000513199958 340396839 /nfs/dbraw/zinc/39/68/39/340396839.db2.gz DWALZMJTBUIFMU-UHFFFAOYSA-N -1 3 323.314 4.210 20 0 DIADHM O=C([N-]c1nnc(C2CC2)s1)c1cc2cc(Cl)ccc2o1 ZINC000007807958 340470345 /nfs/dbraw/zinc/47/03/45/340470345.db2.gz XSCUETXUKBZUGI-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM Cc1ccc(CCCCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183248441 340487086 /nfs/dbraw/zinc/48/70/86/340487086.db2.gz WFQJSVCPTHFRFG-UHFFFAOYSA-N -1 3 301.361 4.191 20 0 DIADHM CC(C)(C(=O)Nc1ccccc1[O-])c1cccc(Cl)c1F ZINC000186012635 340507456 /nfs/dbraw/zinc/50/74/56/340507456.db2.gz VJFCXORWJBRXJM-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM Cc1ccc2cc(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)[nH]c2c1 ZINC000186279347 340510405 /nfs/dbraw/zinc/51/04/05/340510405.db2.gz HPRMTWDSSLNXTM-CYBMUJFWSA-N -1 3 320.392 4.336 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc3cc[nH]c32)c2c([O-])cccc21 ZINC000186341349 340511319 /nfs/dbraw/zinc/51/13/19/340511319.db2.gz NMWRMSDCNFGERN-GFCCVEGCSA-N -1 3 306.365 4.028 20 0 DIADHM Cc1ccccc1[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188824123 340522269 /nfs/dbraw/zinc/52/22/69/340522269.db2.gz PXVFKVVCYTUDTQ-LLVKDONJSA-N -1 3 323.314 4.210 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(Br)c(F)c2)c1 ZINC000223134920 340543816 /nfs/dbraw/zinc/54/38/16/340543816.db2.gz QUYONXUTFPHORD-UHFFFAOYSA-N -1 3 314.129 4.045 20 0 DIADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1cccc([O-])c1F ZINC000522054285 340564578 /nfs/dbraw/zinc/56/45/78/340564578.db2.gz SELXWQKYWZIREM-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM COC(C)(C)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000523409023 340623365 /nfs/dbraw/zinc/62/33/65/340623365.db2.gz AYTJZYAXVUREHP-UHFFFAOYSA-N -1 3 316.401 4.003 20 0 DIADHM O=c1[n-]c(Sc2ccccc2F)nc2cc(Cl)ccc12 ZINC000524373202 340653344 /nfs/dbraw/zinc/65/33/44/340653344.db2.gz HACLASQRIKDJNZ-UHFFFAOYSA-N -1 3 306.749 4.279 20 0 DIADHM Cc1ccc2c(CCC(=O)Nc3ccc(C)cc3[O-])c[nH]c2c1 ZINC000524723546 340662143 /nfs/dbraw/zinc/66/21/43/340662143.db2.gz KOKMCKKCQBUVPA-UHFFFAOYSA-N -1 3 308.381 4.062 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1Cl ZINC000524794216 340680625 /nfs/dbraw/zinc/68/06/25/340680625.db2.gz XDEIJASURWMLRX-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)c2c([O-])cccc21 ZINC000529048752 340743593 /nfs/dbraw/zinc/74/35/93/340743593.db2.gz GJEPLIXEZYOBTQ-TUKIKUTGSA-N -1 3 313.422 4.098 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccncc2Cl)CC)n1 ZINC000530092856 340779055 /nfs/dbraw/zinc/77/90/55/340779055.db2.gz FBJHEMDFLLPPGE-DHZHZOJOSA-N -1 3 303.793 4.134 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000125308997 340803605 /nfs/dbraw/zinc/80/36/05/340803605.db2.gz MSWLXLRXCJBDMO-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM CC(C)N(CC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000538746828 340846724 /nfs/dbraw/zinc/84/67/24/340846724.db2.gz GJSNMUARCLSYJZ-UHFFFAOYSA-N -1 3 323.436 4.244 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1Cl ZINC000539365924 340882604 /nfs/dbraw/zinc/88/26/04/340882604.db2.gz BZTTUOKPORYYBD-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1[O-] ZINC000543715172 341054822 /nfs/dbraw/zinc/05/48/22/341054822.db2.gz DJFOEGSDWONUKU-CYBMUJFWSA-N -1 3 313.422 4.232 20 0 DIADHM C[C@H]1C[C@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000545067505 341106927 /nfs/dbraw/zinc/10/69/27/341106927.db2.gz WBPRQJHAJYEAKQ-SWLSCSKDSA-N -1 3 322.364 4.145 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1cccc(CC)c1[O-] ZINC000545948718 341147922 /nfs/dbraw/zinc/14/79/22/341147922.db2.gz PPXMBWVXYZIDHX-UHFFFAOYSA-N -1 3 317.454 4.111 20 0 DIADHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000135362252 341238080 /nfs/dbraw/zinc/23/80/80/341238080.db2.gz ARYAZTJRVSTDJE-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM O=c1[n-]c(CSC2CCCCC2)nc2c3ccccc3oc21 ZINC000078442562 341242224 /nfs/dbraw/zinc/24/22/24/341242224.db2.gz TUOWIKDZOATOPJ-UHFFFAOYSA-N -1 3 314.410 4.235 20 0 DIADHM O=C([O-])c1ccc(CN2CCCC3(C2)CCCCCC3)cc1F ZINC000564347933 341256600 /nfs/dbraw/zinc/25/66/00/341256600.db2.gz IEURZSYDDUTWDC-UHFFFAOYSA-N -1 3 319.420 4.460 20 0 DIADHM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c([O-])c1 ZINC000079685369 341263520 /nfs/dbraw/zinc/26/35/20/341263520.db2.gz WLZNDPDSUOFUGK-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM Cc1c2cccc(Cl)c2sc1CNCc1ncccc1[O-] ZINC000550212448 341312566 /nfs/dbraw/zinc/31/25/66/341312566.db2.gz YRUZVJOLENAIAJ-UHFFFAOYSA-N -1 3 318.829 4.254 20 0 DIADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000550969295 341328053 /nfs/dbraw/zinc/32/80/53/341328053.db2.gz VOUGOGCXGISVCM-ZDUSSCGKSA-N -1 3 317.816 4.057 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1[O-] ZINC000552069672 341367249 /nfs/dbraw/zinc/36/72/49/341367249.db2.gz CESSTLYNRQESFQ-QMMMGPOBSA-N -1 3 323.801 4.052 20 0 DIADHM CC[C@@H](C)CCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000552184401 341376507 /nfs/dbraw/zinc/37/65/07/341376507.db2.gz PRCGCFIALFAULT-SECBINFHSA-N -1 3 305.296 4.056 20 0 DIADHM CCc1ccc2occ(C(=O)N3CCCc4cccc([O-])c43)c2c1 ZINC000552405757 341391658 /nfs/dbraw/zinc/39/16/58/341391658.db2.gz YKIMHQUQRSQGJF-UHFFFAOYSA-N -1 3 321.376 4.294 20 0 DIADHM CC(C)c1cccc(OCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552434152 341393518 /nfs/dbraw/zinc/39/35/18/341393518.db2.gz DCODVZRONVKXEV-UHFFFAOYSA-N -1 3 319.788 4.187 20 0 DIADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552781578 341404107 /nfs/dbraw/zinc/40/41/07/341404107.db2.gz MNXJVJIFANNHBC-LBPRGKRZSA-N -1 3 319.788 4.089 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-n2cccc2)cc1 ZINC000552783446 341404271 /nfs/dbraw/zinc/40/42/71/341404271.db2.gz WRBFXZNFYQTDAT-UHFFFAOYSA-N -1 3 312.756 4.089 20 0 DIADHM CCc1cccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c1[O-] ZINC000564626462 341505415 /nfs/dbraw/zinc/50/54/15/341505415.db2.gz OTHQNRQRWPQTJF-UHFFFAOYSA-N -1 3 313.397 4.018 20 0 DIADHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153619390 341575866 /nfs/dbraw/zinc/57/58/66/341575866.db2.gz FIQHZLWEAIZLNR-UHFFFAOYSA-N -1 3 323.801 4.017 20 0 DIADHM O=C(CCc1ccc(Cl)s1)N1CCCc2cccc([O-])c21 ZINC000155622536 341610447 /nfs/dbraw/zinc/61/04/47/341610447.db2.gz FPAIFPHNHLCYJV-UHFFFAOYSA-N -1 3 321.829 4.019 20 0 DIADHM CC[C@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000567530507 341612745 /nfs/dbraw/zinc/61/27/45/341612745.db2.gz UBJSPAVLPBYOCE-DOTOQJQBSA-N -1 3 324.380 4.268 20 0 DIADHM C[C@@H]1C[C@H](c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCO1 ZINC000577990379 341964204 /nfs/dbraw/zinc/96/42/04/341964204.db2.gz MRTYXWAGWPURDV-HTQZYQBOSA-N -1 3 323.805 4.215 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c([O-])c1 ZINC000122562162 518189277 /nfs/dbraw/zinc/18/92/77/518189277.db2.gz BIHWBNIRPYBABE-MNOVXSKESA-N -1 3 301.308 4.008 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CCc1ccc2ccccc2c1 ZINC000183072208 518190516 /nfs/dbraw/zinc/19/05/16/518190516.db2.gz ILCDGGBUOQOPSS-UHFFFAOYSA-N -1 3 305.377 4.425 20 0 DIADHM CC(C)(C)Sc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000155965718 518914368 /nfs/dbraw/zinc/91/43/68/518914368.db2.gz KXGVMZDSQIBFGE-AWEZNQCLSA-N -1 3 324.446 4.157 20 0 DIADHM CC(C)(C)Sc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000155965718 518914374 /nfs/dbraw/zinc/91/43/74/518914374.db2.gz KXGVMZDSQIBFGE-AWEZNQCLSA-N -1 3 324.446 4.157 20 0 DIADHM CC(C)c1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000183872334 519890511 /nfs/dbraw/zinc/89/05/11/519890511.db2.gz APYLEUYEXDTLCB-UHFFFAOYSA-N -1 3 322.459 4.028 20 0 DIADHM O=C([O-])CCCCN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000181545184 527581506 /nfs/dbraw/zinc/58/15/06/527581506.db2.gz HBQXVIMMBJWSPB-CQSZACIVSA-N -1 3 316.228 4.385 20 0 DIADHM CC[C@H](CC(F)F)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000457656709 1039185414 /nfs/dbraw/zinc/18/54/14/1039185414.db2.gz JTMSQELIVUQNHO-SSDOTTSWSA-N -1 3 311.250 4.031 20 0 DIADHM O=[S@](Cc1ccc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000108084427 1035722425 /nfs/dbraw/zinc/72/24/25/1035722425.db2.gz UNVOPBIYILSDEU-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722636254 1035748880 /nfs/dbraw/zinc/74/88/80/1035748880.db2.gz UECYUOFYVOLANH-OUAUKWLOSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cnccc2-c2ccccc2)c1 ZINC000683224615 1035782829 /nfs/dbraw/zinc/78/28/29/1035782829.db2.gz NPYVQZHFALFKHN-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM [O-]c1ccccc1Sc1nc2cc(Br)ccc2o1 ZINC000705924128 1036293905 /nfs/dbraw/zinc/29/39/05/1036293905.db2.gz SKHOSGUUASXKSN-UHFFFAOYSA-N -1 3 322.183 4.447 20 0 DIADHM CC(=O)c1cc(Nc2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001209985593 1036336628 /nfs/dbraw/zinc/33/66/28/1036336628.db2.gz FSAXVAYLUFVDSM-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM O=C([N-]c1ccccc1SCC(F)(F)F)c1nccs1 ZINC000683565019 1036478299 /nfs/dbraw/zinc/47/82/99/1036478299.db2.gz ONCGGRDOVBAKFJ-UHFFFAOYSA-N -1 3 318.345 4.050 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cccc(O)c1Br ZINC001210223566 1036544730 /nfs/dbraw/zinc/54/47/30/1036544730.db2.gz SEQPSDORZARCBB-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Cc1cc(C(=O)[N-]c2ccccc2SC2CCCC2)no1 ZINC000046293006 1036654845 /nfs/dbraw/zinc/65/48/45/1036654845.db2.gz LJRZUZUZSIPDAV-UHFFFAOYSA-N -1 3 302.399 4.270 20 0 DIADHM COc1c(F)c(F)c(Nc2cccc(Cl)c2[O-])c(F)c1F ZINC001210762650 1036934759 /nfs/dbraw/zinc/93/47/59/1036934759.db2.gz CRMSDADKBVMXLQ-UHFFFAOYSA-N -1 3 321.657 4.354 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Cl)cnc1Br ZINC001210851554 1037012641 /nfs/dbraw/zinc/01/26/41/1037012641.db2.gz BXUMJYUSNCRTPS-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM CCOC(=O)c1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854503 1037015384 /nfs/dbraw/zinc/01/53/84/1037015384.db2.gz ALXWBYZJHIEXHR-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)ccc1Cl ZINC001210854921 1037016188 /nfs/dbraw/zinc/01/61/88/1037016188.db2.gz NGTKDOKVOLDGPJ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)c(OC)cc1Cl ZINC001210855792 1037017013 /nfs/dbraw/zinc/01/70/13/1037017013.db2.gz XWWXLWZAMLRBTP-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM [O-]c1cccc(Nc2csc(-c3ccncc3)n2)c1Cl ZINC001210855762 1037017752 /nfs/dbraw/zinc/01/77/52/1037017752.db2.gz VSVDEMYUCRLWNQ-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM [O-]c1cccc(Nc2cc(OC(F)(F)F)ccn2)c1Cl ZINC001210855744 1037017960 /nfs/dbraw/zinc/01/79/60/1037017960.db2.gz UNOJLEVPJYEOQD-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(Cl)nc3Cl)nc21 ZINC001211271387 1037262458 /nfs/dbraw/zinc/26/24/58/1037262458.db2.gz MHYMHBZWKGXGTN-UHFFFAOYSA-N -1 3 312.181 4.447 20 0 DIADHM COc1cc(-c2nc3cc(SC)ccc3[nH]2)cc(Cl)c1[O-] ZINC000580990012 1037399063 /nfs/dbraw/zinc/39/90/63/1037399063.db2.gz XXFAQOHWUYMWSO-UHFFFAOYSA-N -1 3 320.801 4.319 20 0 DIADHM CCOc1cc(CNC2(C(F)F)CCCC2)cc(Cl)c1[O-] ZINC000656626536 1037716122 /nfs/dbraw/zinc/71/61/22/1037716122.db2.gz YKYBBXKGTTWZIX-UHFFFAOYSA-N -1 3 319.779 4.112 20 0 DIADHM Cc1cc([C@@H](C)N2CCC[C@@H]2c2cccs2)oc1C(=O)[O-] ZINC000581612861 1037780281 /nfs/dbraw/zinc/78/02/81/1037780281.db2.gz HMCXTBMBHHKEQP-VXGBXAGGSA-N -1 3 305.399 4.246 20 0 DIADHM Cc1cc([C@H](C)N2CCC[C@H]2c2cccs2)oc1C(=O)[O-] ZINC000581612860 1037781483 /nfs/dbraw/zinc/78/14/83/1037781483.db2.gz HMCXTBMBHHKEQP-RYUDHWBXSA-N -1 3 305.399 4.246 20 0 DIADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC000129623849 1037789562 /nfs/dbraw/zinc/78/95/62/1037789562.db2.gz XCEVHBWOFXZUGC-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CCC1(CC)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000656762180 1037845574 /nfs/dbraw/zinc/84/55/74/1037845574.db2.gz AAFXTMFMUYEBQF-UHFFFAOYSA-N -1 3 309.837 4.440 20 0 DIADHM Cc1cc(Cl)cc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000395160046 1037850811 /nfs/dbraw/zinc/85/08/11/1037850811.db2.gz SPEBNDQHTAZISD-ZDUSSCGKSA-N -1 3 309.818 4.016 20 0 DIADHM CC(C)c1csc2[n-]c(CO[C@H]3CCCC[C@@H]3C)nc(=O)c12 ZINC000069980175 1038010465 /nfs/dbraw/zinc/01/04/65/1038010465.db2.gz CIKCIQMDUOPNTB-AAEUAGOBSA-N -1 3 320.458 4.203 20 0 DIADHM O=C(Oc1ccc(Cl)c(F)c1)c1cccc(Cl)c1[O-] ZINC001266838234 1038061909 /nfs/dbraw/zinc/06/19/09/1038061909.db2.gz HDYHZTZEVDRXCM-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM Cc1ccccc1-c1ccc(CN(CC(=O)[O-])C(C)C)s1 ZINC000341525891 1038068710 /nfs/dbraw/zinc/06/87/10/1038068710.db2.gz IEQCVRLHDBZJDK-UHFFFAOYSA-N -1 3 303.427 4.019 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1nc(Cl)ccc1Cl ZINC000061118557 1038222079 /nfs/dbraw/zinc/22/20/79/1038222079.db2.gz QRCDISQSUDEDIJ-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CCCc1nnc([N-]C(=O)c2cc3c(cccc3F)s2)s1 ZINC000022746476 1038289045 /nfs/dbraw/zinc/28/90/45/1038289045.db2.gz BTIYBGMDXIELKL-UHFFFAOYSA-N -1 3 321.402 4.097 20 0 DIADHM C[C@@H](CCNC(=O)c1cc(=O)c2ccccc2[n-]1)CC(C)(C)C ZINC000277074825 1038363884 /nfs/dbraw/zinc/36/38/84/1038363884.db2.gz JGAXFNOETXCGBY-ZDUSSCGKSA-N -1 3 314.429 4.133 20 0 DIADHM CC(C)[C@H](CC1CCCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606537307 1038612728 /nfs/dbraw/zinc/61/27/28/1038612728.db2.gz WQSVSVGAZVTEMQ-INIZCTEOSA-N -1 3 321.436 4.390 20 0 DIADHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc([O-])ccc1Cl ZINC000277854174 1038854450 /nfs/dbraw/zinc/85/44/50/1038854450.db2.gz YVHQSOLKLYIFHI-INIZCTEOSA-N -1 3 318.804 4.054 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456597654 1039066035 /nfs/dbraw/zinc/06/60/35/1039066035.db2.gz WWWNBVVKLGPBJR-HNNXBMFYSA-N -1 3 317.772 4.006 20 0 DIADHM O=C([O-])c1cccc(CCNCc2c(Cl)cccc2Cl)c1 ZINC000426705994 1039136097 /nfs/dbraw/zinc/13/60/97/1039136097.db2.gz RARHKPQKZCGFNQ-UHFFFAOYSA-N -1 3 324.207 4.024 20 0 DIADHM O=C(C/C=C/c1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000535420074 1039206162 /nfs/dbraw/zinc/20/61/62/1039206162.db2.gz MALYEHIHKJVQMW-HWKANZROSA-N -1 3 305.736 4.227 20 0 DIADHM [O-]c1c(F)cc(Nc2cccc(F)c2Br)cc1F ZINC001213382073 1039282972 /nfs/dbraw/zinc/28/29/72/1039282972.db2.gz YUJMTZZNKQCJNC-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000539847951 1039365970 /nfs/dbraw/zinc/36/59/70/1039365970.db2.gz 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/nfs/dbraw/zinc/16/71/04/1040167104.db2.gz LKFORVHEFSGFDW-UHFFFAOYSA-N -1 3 319.788 4.333 20 0 DIADHM CC(C)(CCNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000685640775 1040175431 /nfs/dbraw/zinc/17/54/31/1040175431.db2.gz XRNFQMXREIIZAU-UHFFFAOYSA-N -1 3 317.816 4.143 20 0 DIADHM CC(C)Sc1ccccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000612401591 1040585724 /nfs/dbraw/zinc/58/57/24/1040585724.db2.gz XRDMHCNABCEZGZ-UHFFFAOYSA-N -1 3 316.426 4.306 20 0 DIADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(Cl)ccc1[O-] ZINC000612754334 1040693272 /nfs/dbraw/zinc/69/32/72/1040693272.db2.gz IZLFGJWBAXYKOI-TZMCWYRMSA-N -1 3 315.747 4.200 20 0 DIADHM Cc1oc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)nc1C1CC1 ZINC000892511148 1040694307 /nfs/dbraw/zinc/69/43/07/1040694307.db2.gz DSNCJLWSCYBZKR-UHFFFAOYSA-N -1 3 323.352 4.076 20 0 DIADHM COc1cc(-c2nc3c(cccc3Cl)[nH]2)cc(Cl)c1[O-] ZINC000533909392 1041071117 /nfs/dbraw/zinc/07/11/17/1041071117.db2.gz VHTSRIOEIIUSNR-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cnc(-c2ccco2)s1 ZINC000170893610 1041075406 /nfs/dbraw/zinc/07/54/06/1041075406.db2.gz FDTLZIULAPTQLW-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM O=c1[n-]c(NCc2nccc3ccccc32)c(Cl)cc1Cl ZINC001167699484 1041164354 /nfs/dbraw/zinc/16/43/54/1041164354.db2.gz JBSBJNINTCFZBT-UHFFFAOYSA-N -1 3 320.179 4.254 20 0 DIADHM COC(=O)c1cc(F)c(F)cc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244546099 1041398617 /nfs/dbraw/zinc/39/86/17/1041398617.db2.gz DXOAQBPFSOIMPN-UHFFFAOYSA-N -1 3 312.699 4.086 20 0 DIADHM O=C(OC[C@H]1CCC(F)(F)C1)c1cc2cc(Cl)sc2[n-]1 ZINC000810835105 1041451064 /nfs/dbraw/zinc/45/10/64/1041451064.db2.gz UYXMEQYCEXPXOB-ZETCQYMHSA-N -1 3 319.760 4.475 20 0 DIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OC/C=C/Cl ZINC000812398428 1041618550 /nfs/dbraw/zinc/61/85/50/1041618550.db2.gz QUFHOKFMUTXBCG-FARCUNLSSA-N -1 3 322.619 4.116 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)c1ccccc1 ZINC000584810262 1041680008 /nfs/dbraw/zinc/68/00/08/1041680008.db2.gz IDAAHHYATVXBMI-LBPRGKRZSA-N 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JSWITTZKTJYEDN-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM O=C(Nc1cccc(Cl)c1)c1cc2c(cc1[O-])CCCC2 ZINC001135508256 1042039955 /nfs/dbraw/zinc/03/99/55/1042039955.db2.gz XEVKSGKHKGJMKJ-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2cccc3ccccc32)c([O-])c1 ZINC001135509633 1042041812 /nfs/dbraw/zinc/04/18/12/1042041812.db2.gz YOYMAQSIFICWDE-CQSZACIVSA-N -1 3 305.377 4.345 20 0 DIADHM Cc1cc(NCc2c(F)ccc([O-])c2F)ccc1OC(C)C ZINC000816527261 1042066310 /nfs/dbraw/zinc/06/63/10/1042066310.db2.gz CGZGFHRYGFVSFS-UHFFFAOYSA-N -1 3 307.340 4.378 20 0 DIADHM CC(C)n1ncc2cc(NCc3c(F)ccc([O-])c3F)ccc21 ZINC000816563657 1042068964 /nfs/dbraw/zinc/06/89/64/1042068964.db2.gz FZQQNRWVDVXOFC-UHFFFAOYSA-N -1 3 317.339 4.213 20 0 DIADHM Cc1ccc(F)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000254508359 1042088671 /nfs/dbraw/zinc/08/86/71/1042088671.db2.gz KWUOPWOHBOTHHX-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(N)cc2[O-])c1 ZINC000817944937 1042130724 /nfs/dbraw/zinc/13/07/24/1042130724.db2.gz PMBWSHXYPNZQST-SFHVURJKSA-N -1 3 324.424 4.040 20 0 DIADHM COc1cccc(/C(C)=C\C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000820509138 1042218764 /nfs/dbraw/zinc/21/87/64/1042218764.db2.gz BEPKUIOJVAPYMM-LUAWRHEFSA-N -1 3 317.772 4.096 20 0 DIADHM C/C(=C/C(=O)Nc1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000820510775 1042218911 /nfs/dbraw/zinc/21/89/11/1042218911.db2.gz RUOZFUKMZSPDCJ-KTKRTIGZSA-N -1 3 305.736 4.227 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2nc(Cl)cs2)CC)n1 ZINC000278947801 1042250994 /nfs/dbraw/zinc/25/09/94/1042250994.db2.gz LAGQPAWBOHGMPB-TWGQIWQCSA-N -1 3 309.822 4.195 20 0 DIADHM O=C(NC[C@@H]1CC=CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136443590 1042251045 /nfs/dbraw/zinc/25/10/45/1042251045.db2.gz HSRMRELNKHMXNH-OAHLLOKOSA-N -1 3 323.392 4.271 20 0 DIADHM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001136511326 1042267782 /nfs/dbraw/zinc/26/77/82/1042267782.db2.gz BSNUUGUIWKDPOU-HNNXBMFYSA-N -1 3 311.425 4.185 20 0 DIADHM C[C@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000279162325 1042278547 /nfs/dbraw/zinc/27/85/47/1042278547.db2.gz GCHDKVWVRAVRAN-CYBMUJFWSA-N -1 3 312.413 4.029 20 0 DIADHM CCCCC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001136597550 1042292011 /nfs/dbraw/zinc/29/20/11/1042292011.db2.gz AYXYJKBHFLXUGB-MRXNPFEDSA-N -1 3 322.412 4.009 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c(-c4cncs4)nc(=O)c23)C1 ZINC000408365953 1042299550 /nfs/dbraw/zinc/29/95/50/1042299550.db2.gz MHOVVYDKKSCYDN-MRVPVSSYSA-N -1 3 317.439 4.035 20 0 DIADHM CC(C)COC[C@H](N[C@H](C)c1cc([O-])cc(F)c1)c1ccco1 ZINC000924889001 1042487292 /nfs/dbraw/zinc/48/72/92/1042487292.db2.gz JGPBAMWVOCVSTQ-DYVFJYSZSA-N -1 3 321.392 4.189 20 0 DIADHM O=C([O-])c1csc(CN2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000517750346 1042894424 /nfs/dbraw/zinc/89/44/24/1042894424.db2.gz DFUFIHZNOYZUGF-CQSZACIVSA-N -1 3 322.474 4.166 20 0 DIADHM O=C([O-])c1csc(CN2CCC[C@H]2CCC2CCCCC2)n1 ZINC000517750345 1042894860 /nfs/dbraw/zinc/89/48/60/1042894860.db2.gz DFUFIHZNOYZUGF-AWEZNQCLSA-N -1 3 322.474 4.166 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000518201338 1042910810 /nfs/dbraw/zinc/91/08/10/1042910810.db2.gz WKOHEUKWILIZOS-ISTVAULSSA-N -1 3 316.228 4.097 20 0 DIADHM O=C(CCc1cccs1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000441014105 1043015953 /nfs/dbraw/zinc/01/59/53/1043015953.db2.gz WKJQAKYXCMTSGY-UHFFFAOYSA-N -1 3 315.316 4.044 20 0 DIADHM CC(C)Sc1ccccc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000177803701 1043113935 /nfs/dbraw/zinc/11/39/35/1043113935.db2.gz QYWIZORPHFPABX-UHFFFAOYSA-N -1 3 302.399 4.305 20 0 DIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000417524978 1043194693 /nfs/dbraw/zinc/19/46/93/1043194693.db2.gz AKGKYXOOGPHNDX-DTWKUNHWSA-N -1 3 324.273 4.424 20 0 DIADHM CCC(CC)(CNC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000871262210 1043369007 /nfs/dbraw/zinc/36/90/07/1043369007.db2.gz BLXSPMLZIZRCEL-UHFFFAOYSA-N -1 3 323.742 4.144 20 0 DIADHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000271409332 1043415153 /nfs/dbraw/zinc/41/51/53/1043415153.db2.gz PCUDCBNMTDNCPS-KRWDZBQOSA-N -1 3 312.413 4.134 20 0 DIADHM C[C@H](N[C@H]1CCSc2ccccc21)c1cccc([O-])c1F ZINC000872021878 1043420585 /nfs/dbraw/zinc/42/05/85/1043420585.db2.gz FPQCFMPXHQOULG-FZMZJTMJSA-N -1 3 303.402 4.419 20 0 DIADHM C[C@H](N[C@@H]1CSCc2ccccc21)c1cccc([O-])c1F ZINC000872027310 1043423423 /nfs/dbraw/zinc/42/34/23/1043423423.db2.gz CUAWNISXOMFFLX-XHDPSFHLSA-N -1 3 303.402 4.170 20 0 DIADHM COc1ccc(F)cc1[C@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872024394 1043423571 /nfs/dbraw/zinc/42/35/71/1043423571.db2.gz AGCHUWBHGZQBRZ-QWRGUYRKSA-N -1 3 307.340 4.091 20 0 DIADHM C[C@H](NCc1ccc(C(C)(F)F)cc1)c1cccc([O-])c1F ZINC000872072741 1043449631 /nfs/dbraw/zinc/44/96/31/1043449631.db2.gz JETDILKZQPQAIY-NSHDSACASA-N -1 3 309.331 4.494 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Cc2ccccc2F)CC1 ZINC000443078350 1043485339 /nfs/dbraw/zinc/48/53/39/1043485339.db2.gz WUSYXXVSDKOTQI-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2c[nH]c3ccccc23)c1 ZINC000443385397 1043541383 /nfs/dbraw/zinc/54/13/83/1043541383.db2.gz PANRURJQEREMGI-UHFFFAOYSA-N -1 3 322.408 4.098 20 0 DIADHM CC1(C)CCC[C@H](CNC(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001299415131 1043565461 /nfs/dbraw/zinc/56/54/61/1043565461.db2.gz AXVIZSIJFUBCSV-AWEZNQCLSA-N -1 3 311.425 4.492 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001299416773 1043566619 /nfs/dbraw/zinc/56/66/19/1043566619.db2.gz OTDGMDIFFDIHHX-OFQRWUPVSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1ccc2c(c1)[C@@H](NCc1c(F)ccc([O-])c1F)CCC2 ZINC000353529644 1043613159 /nfs/dbraw/zinc/61/31/59/1043613159.db2.gz JZYRZKIZPVYBIY-INIZCTEOSA-N -1 3 303.352 4.146 20 0 DIADHM CN(Cc1cc2ccccc2o1)C(=O)c1cc([O-])ccc1Cl ZINC000354957479 1043731437 /nfs/dbraw/zinc/73/14/37/1043731437.db2.gz FQIXPOMWPDTWQK-UHFFFAOYSA-N -1 3 315.756 4.064 20 0 DIADHM Cc1ccc([O-])c(CN2CCCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000355245414 1043755321 /nfs/dbraw/zinc/75/53/21/1043755321.db2.gz 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/nfs/dbraw/zinc/94/69/12/1043946912.db2.gz HLUDBIMBPHMJFQ-DTQAZKPQSA-N -1 3 306.340 4.105 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)c([O-])c1 ZINC001137153654 1044040185 /nfs/dbraw/zinc/04/01/85/1044040185.db2.gz HSTFCPUOOIMLCY-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM CC(C)(C)c1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000443921290 1044054476 /nfs/dbraw/zinc/05/44/76/1044054476.db2.gz SGAVIPYPOZVUIV-UHFFFAOYSA-N -1 3 314.332 4.110 20 0 DIADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H]1C ZINC000563280456 1044242818 /nfs/dbraw/zinc/24/28/18/1044242818.db2.gz UFCRSEUZYHCGAH-GPCCPHFNSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000563280142 1044244059 /nfs/dbraw/zinc/24/40/59/1044244059.db2.gz LEYTTXHHVJSSRI-NOZJJQNGSA-N -1 3 316.228 4.240 20 0 DIADHM [O-]c1cccc(CN[C@H](c2ccccc2)[C@H]2CCCO2)c1Cl ZINC000293444808 1044286382 /nfs/dbraw/zinc/28/63/82/1044286382.db2.gz CCOAQPVGQBNMPB-SJLPKXTDSA-N -1 3 317.816 4.056 20 0 DIADHM Cc1ccc2c(c1)SCCCN2C(=O)c1cccc(C)c1[O-] ZINC000778275263 1044295121 /nfs/dbraw/zinc/29/51/21/1044295121.db2.gz OYUQMQQRIQGZLA-UHFFFAOYSA-N -1 3 313.422 4.152 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1CCC(C(F)(F)F)CC1 ZINC000444330789 1044321532 /nfs/dbraw/zinc/32/15/32/1044321532.db2.gz NERYQFASRITQDB-UHFFFAOYSA-N -1 3 321.726 4.353 20 0 DIADHM COc1cc2ccncc2cc1OC(=O)c1cc2ccsc2[n-]1 ZINC000778390584 1044370273 /nfs/dbraw/zinc/37/02/73/1044370273.db2.gz XGGKQRGMOKLJBH-UHFFFAOYSA-N -1 3 324.361 4.005 20 0 DIADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000565101277 1044412477 /nfs/dbraw/zinc/41/24/77/1044412477.db2.gz DMDTWIPYRHBSTJ-GDBMZVCRSA-N -1 3 301.411 4.019 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000565200593 1044418536 /nfs/dbraw/zinc/41/85/36/1044418536.db2.gz PTWONXVFWVQVFA-IUCAKERBSA-N -1 3 321.726 4.353 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1cc(F)ccc1F ZINC001202645942 1044436992 /nfs/dbraw/zinc/43/69/92/1044436992.db2.gz QWEBQASRPXDPRR-UHFFFAOYSA-N -1 3 321.308 4.325 20 0 DIADHM C[C@@H](SCc1noc(-c2ccccc2[O-])n1)c1cccs1 ZINC000133859194 1044459164 /nfs/dbraw/zinc/45/91/64/1044459164.db2.gz UGTTZQAKNRBNBR-SNVBAGLBSA-N -1 3 318.423 4.498 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000665799485 1044512037 /nfs/dbraw/zinc/51/20/37/1044512037.db2.gz KRTATIYCHIONKI-MRXNPFEDSA-N -1 3 313.422 4.091 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000568062713 1044599751 /nfs/dbraw/zinc/59/97/51/1044599751.db2.gz MOQNEEZCQTWYCG-TVQRCGJNSA-N -1 3 316.228 4.240 20 0 DIADHM CCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC000568894805 1044659190 /nfs/dbraw/zinc/65/91/90/1044659190.db2.gz BEMYNFYWCWWWBD-MRXNPFEDSA-N -1 3 311.381 4.117 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3oc4ccccc4c3C)no2)c1 ZINC000445494419 1044741587 /nfs/dbraw/zinc/74/15/87/1044741587.db2.gz XMQCEHYBSPOGON-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000570286084 1044746820 /nfs/dbraw/zinc/74/68/20/1044746820.db2.gz BLWNJHPQEKLDGD-GPCCPHFNSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccccc1[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000572741121 1044873280 /nfs/dbraw/zinc/87/32/80/1044873280.db2.gz MHDONTMXUMXNHZ-QGZVFWFLSA-N -1 3 315.800 4.235 20 0 DIADHM CC(C)(C)Cc1nnc(-c2ccc([O-])cc2C(F)(F)F)o1 ZINC001257903450 1045012412 /nfs/dbraw/zinc/01/24/12/1045012412.db2.gz LHTAADLJNYZPCQ-UHFFFAOYSA-N -1 3 300.280 4.050 20 0 DIADHM CC(C)(C)c1cc2c([nH]c(-c3cc([O-])cc(F)c3)nc2=O)s1 ZINC000576739301 1045076179 /nfs/dbraw/zinc/07/61/79/1045076179.db2.gz ZBBHPHGXVUSQCP-UHFFFAOYSA-N -1 3 318.373 4.206 20 0 DIADHM O=c1cc(CSCCC(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000413007740 1045120598 /nfs/dbraw/zinc/12/05/98/1045120598.db2.gz VBMJOOBBEKNQIY-UHFFFAOYSA-N -1 3 314.332 4.035 20 0 DIADHM Cc1oc(CN(C)CCCc2ccccc2Cl)cc1C(=O)[O-] ZINC000577618540 1045143775 /nfs/dbraw/zinc/14/37/75/1045143775.db2.gz JRVFTRGUNYBTNM-UHFFFAOYSA-N -1 3 321.804 4.004 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000626228090 1045197234 /nfs/dbraw/zinc/19/72/34/1045197234.db2.gz XKAQNAMJHVXYQB-UHFFFAOYSA-N -1 3 316.788 4.381 20 0 DIADHM C[C@H]1CCc2c(C(=O)Nc3c([O-])cccc3Cl)csc2C1 ZINC000578733718 1045268678 /nfs/dbraw/zinc/26/86/78/1045268678.db2.gz ZDHNLQTWBMCZDV-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM C[C@H](Cc1ccsc1)/N=C\c1cc(Br)ccc1[O-] ZINC000048833089 1045278151 /nfs/dbraw/zinc/27/81/51/1045278151.db2.gz OFPGFLFCBVBSCH-NUEDXCKTSA-N -1 3 324.243 4.266 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cccc(-c3ccoc3)c2)c1[O-] ZINC000579397029 1045311470 /nfs/dbraw/zinc/31/14/70/1045311470.db2.gz ATCQNIJTOGDMEY-UHFFFAOYSA-N -1 3 321.332 4.107 20 0 DIADHM CCCN(C(=O)c1c(C)cccc1[O-])[C@H]1CCCc2cccnc21 ZINC000626503832 1045347795 /nfs/dbraw/zinc/34/77/95/1045347795.db2.gz JPQUVXVATHQUOD-INIZCTEOSA-N -1 3 324.424 4.025 20 0 DIADHM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000449459712 1045395601 /nfs/dbraw/zinc/39/56/01/1045395601.db2.gz LFVYDRGMAKXYKA-ONGXEEELSA-N -1 3 307.743 4.208 20 0 DIADHM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000449459711 1045396121 /nfs/dbraw/zinc/39/61/21/1045396121.db2.gz LFVYDRGMAKXYKA-MWLCHTKSSA-N -1 3 307.743 4.208 20 0 DIADHM CC(C)c1cc(Cl)ccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000529247360 1045462270 /nfs/dbraw/zinc/46/22/70/1045462270.db2.gz JFXFYFIHBHNVJB-CQSZACIVSA-N -1 3 312.797 4.043 20 0 DIADHM CC(C)c1cc(Cl)ccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000529247360 1045462271 /nfs/dbraw/zinc/46/22/71/1045462271.db2.gz JFXFYFIHBHNVJB-CQSZACIVSA-N -1 3 312.797 4.043 20 0 DIADHM COCOc1ccc(Nc2cccc(Cl)c2[O-])cc1Cl ZINC001215259421 1045562119 /nfs/dbraw/zinc/56/21/19/1045562119.db2.gz RMXDMSLJLJSECP-UHFFFAOYSA-N -1 3 314.168 4.425 20 0 DIADHM Cc1oc(C(C)(C)C)cc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000900034705 1045591974 /nfs/dbraw/zinc/59/19/74/1045591974.db2.gz YRZZFHDMENCMIB-CYBMUJFWSA-N -1 3 321.442 4.253 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2cccc(Cl)c2o1 ZINC000753344158 1045748190 /nfs/dbraw/zinc/74/81/90/1045748190.db2.gz VPYFJMYAWVEXSC-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM Cc1conc1C(=O)[N-]c1ccccc1SC1CCCC1 ZINC000630716098 1045775377 /nfs/dbraw/zinc/77/53/77/1045775377.db2.gz TYWHURQXJWUAPJ-UHFFFAOYSA-N -1 3 302.399 4.270 20 0 DIADHM CCC[C@H](CN1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000901623758 1045779890 /nfs/dbraw/zinc/77/98/90/1045779890.db2.gz WARASDOYFNXARM-YLJYHZDGSA-N -1 3 323.436 4.254 20 0 DIADHM C[C@@H]1C[C@H]1c1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000901650747 1045787077 /nfs/dbraw/zinc/78/70/77/1045787077.db2.gz KJODTFLYBATGRA-KBRIMQKVSA-N -1 3 313.397 4.099 20 0 DIADHM CCc1ccc(NC(=S)Nc2ccc(Cl)cc2[O-])cc1 ZINC000753901616 1045815294 /nfs/dbraw/zinc/81/52/94/1045815294.db2.gz JJPNHUXQWGAFKO-UHFFFAOYSA-N -1 3 306.818 4.417 20 0 DIADHM C[C@@H](NC[C@@H](C)CC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000901907361 1045871160 /nfs/dbraw/zinc/87/11/60/1045871160.db2.gz FWXWCZPZSBXDES-NWDGAFQWSA-N -1 3 310.463 4.098 20 0 DIADHM CC(C)(C)C[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902123440 1045917708 /nfs/dbraw/zinc/91/77/08/1045917708.db2.gz KMGLPGODOGSEIX-OAHLLOKOSA-N -1 3 301.386 4.245 20 0 DIADHM Cc1cc(CCCC(=O)[N-]OCc2ccc(F)cc2)c(C)s1 ZINC000754714714 1045918840 /nfs/dbraw/zinc/91/88/40/1045918840.db2.gz VXISCJNLEORGAK-UHFFFAOYSA-N -1 3 321.417 4.075 20 0 DIADHM C[C@@H](CCCC(C)(C)C(=O)[O-])N[C@H](CF)c1ccc(F)cc1 ZINC000902187788 1045932176 /nfs/dbraw/zinc/93/21/76/1045932176.db2.gz XUUKAWKOLZKVIO-SWLSCSKDSA-N -1 3 313.388 4.096 20 0 DIADHM CC(C)(C)Cc1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC001137704206 1045939953 /nfs/dbraw/zinc/93/99/53/1045939953.db2.gz WTINKAJMCVCQCZ-UHFFFAOYSA-N -1 3 324.833 4.343 20 0 DIADHM O=C([O-])c1ccc(CN[C@@H]2CCCc3sccc32)cc1Cl ZINC000902219140 1045946340 /nfs/dbraw/zinc/94/63/40/1045946340.db2.gz MQAYYDMILFOSTL-CQSZACIVSA-N -1 3 321.829 4.267 20 0 DIADHM CC(C)Sc1ccc([C@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902220660 1045948312 /nfs/dbraw/zinc/94/83/12/1045948312.db2.gz 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ZINC001137826824 1045974340 /nfs/dbraw/zinc/97/43/40/1045974340.db2.gz RBZNYHQCDNBJEN-UHFFFAOYSA-N -1 3 306.365 4.202 20 0 DIADHM O=C([O-])CCC[C@@H]1CCC[C@H](N[C@@H]2C[C@]2(F)c2ccccc2)C1 ZINC000902340432 1045981174 /nfs/dbraw/zinc/98/11/74/1045981174.db2.gz HMABTDRPNBVQRS-RMRDIRSESA-N -1 3 319.420 4.027 20 0 DIADHM Cc1ccc(C(=O)NCC2(Cc3ccccc3)CCCC2)c([O-])c1 ZINC001137909798 1046008373 /nfs/dbraw/zinc/00/83/73/1046008373.db2.gz IJBLESGCPZPNAX-UHFFFAOYSA-N -1 3 323.436 4.234 20 0 DIADHM C[C@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902530989 1046015018 /nfs/dbraw/zinc/01/50/18/1046015018.db2.gz BPQGESUACHTTEG-JTQLQIEISA-N -1 3 315.335 4.024 20 0 DIADHM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1[O-])CCC2 ZINC001138003179 1046051257 /nfs/dbraw/zinc/05/12/57/1046051257.db2.gz MZXTUFPHSRZNTJ-GOSISDBHSA-N -1 3 309.409 4.323 20 0 DIADHM Cc1ccc(C2(C(=O)Nc3ccc(Cl)cc3[O-])CCC2)cc1 ZINC001138015256 1046057346 /nfs/dbraw/zinc/05/73/46/1046057346.db2.gz XPEGPYKAJNBUQC-UHFFFAOYSA-N -1 3 315.800 4.414 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001138014935 1046057615 /nfs/dbraw/zinc/05/76/15/1046057615.db2.gz IVINDMJLTACSIS-UHFFFAOYSA-N -1 3 303.789 4.315 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)c1[O-] ZINC001138084956 1046086422 /nfs/dbraw/zinc/08/64/22/1046086422.db2.gz PCMHBNUSCHPTAI-KUHUBIRLSA-N -1 3 323.436 4.398 20 0 DIADHM CCC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000757867987 1046221646 /nfs/dbraw/zinc/22/16/46/1046221646.db2.gz NUOMZVIHZAQKKR-UHFFFAOYSA-N -1 3 321.735 4.030 20 0 DIADHM COc1ccc([C@@H](C)NCc2cccc([O-])c2Cl)cc1C ZINC000897414768 1046246799 /nfs/dbraw/zinc/24/67/99/1046246799.db2.gz KUGBLGZOFXVCKM-GFCCVEGCSA-N -1 3 305.805 4.213 20 0 DIADHM CC(C)Oc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)c1 ZINC000903676893 1046298785 /nfs/dbraw/zinc/29/87/85/1046298785.db2.gz FVYIQPQQTLKPQZ-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000903678982 1046301680 /nfs/dbraw/zinc/30/16/80/1046301680.db2.gz 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O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@@H]1C1CC1 ZINC000678310530 1046617165 /nfs/dbraw/zinc/61/71/65/1046617165.db2.gz MTVHVMKBPZQGBY-GOSISDBHSA-N -1 3 323.392 4.199 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(Cl)c2F)CC)n1 ZINC000834438421 1046617506 /nfs/dbraw/zinc/61/75/06/1046617506.db2.gz RANIJSNQQNPKFO-CSKARUKUSA-N -1 3 321.783 4.273 20 0 DIADHM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000678319071 1046619452 /nfs/dbraw/zinc/61/94/52/1046619452.db2.gz UNQZHVGDXKJBSC-SFHVURJKSA-N -1 3 324.424 4.196 20 0 DIADHM CN(Cc1sc2ccccc2c1Cl)Cc1ccncc1[O-] ZINC001140276384 1046638425 /nfs/dbraw/zinc/63/84/25/1046638425.db2.gz BQLOFXQTHFWRFW-UHFFFAOYSA-N -1 3 318.829 4.287 20 0 DIADHM O=C(CCc1cc2ccccc2o1)Nc1ccc(Cl)cc1[O-] ZINC000533159192 1046660369 /nfs/dbraw/zinc/66/03/69/1046660369.db2.gz MZUCPPGVBXGLKX-UHFFFAOYSA-N -1 3 315.756 4.363 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCc2c1cccc2Cl ZINC000678863937 1046723333 /nfs/dbraw/zinc/72/33/33/1046723333.db2.gz KHUFFAXZMVQIOC-LBPRGKRZSA-N -1 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/nfs/dbraw/zinc/21/15/57/1047211557.db2.gz GWEKPDIHVFKOKE-HNNXBMFYSA-N -1 3 315.438 4.166 20 0 DIADHM O=C([N-]c1cnoc1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000682798471 1047225853 /nfs/dbraw/zinc/22/58/53/1047225853.db2.gz SRJVTPWORNIYQK-UHFFFAOYSA-N -1 3 322.242 4.206 20 0 DIADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC001117640980 1047232939 /nfs/dbraw/zinc/23/29/39/1047232939.db2.gz HACFWZPYJQRPNM-HNNXBMFYSA-N -1 3 307.752 4.066 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1[O-] ZINC001141662164 1047250257 /nfs/dbraw/zinc/25/02/57/1047250257.db2.gz WTJLAHFNPPKXIV-ZFWWWQNUSA-N -1 3 303.446 4.241 20 0 DIADHM CCCN(CC1CCCCC1)C(=O)c1cc([O-])ccc1Cl ZINC001142094801 1047376019 /nfs/dbraw/zinc/37/60/19/1047376019.db2.gz PJZJAKZHDQAIJW-UHFFFAOYSA-N -1 3 309.837 4.478 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(COC(C)C)cc2)c([O-])c1C ZINC001142128800 1047384774 /nfs/dbraw/zinc/38/47/74/1047384774.db2.gz QXVBUDMEHQGYMP-UHFFFAOYSA-N -1 3 313.397 4.186 20 0 DIADHM CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533159730 1047386638 /nfs/dbraw/zinc/38/66/38/1047386638.db2.gz SSGHEZGDGAXQKI-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001142215284 1047398851 /nfs/dbraw/zinc/39/88/51/1047398851.db2.gz RUPPUNKLVXIXPO-NVXWUHKLSA-N -1 3 309.409 4.102 20 0 DIADHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc(SC)ccc1[O-] ZINC001142234193 1047412356 /nfs/dbraw/zinc/41/23/56/1047412356.db2.gz RVJZJAXFPCNHTQ-KBPBESRZSA-N -1 3 321.486 4.450 20 0 DIADHM Cc1ccc(CC(=O)[N-]OCc2c(Cl)cccc2Cl)cc1 ZINC000749393496 1047416233 /nfs/dbraw/zinc/41/62/33/1047416233.db2.gz IICIDWWLAJLNLW-UHFFFAOYSA-N -1 3 324.207 4.092 20 0 DIADHM CN(Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142657029 1047475202 /nfs/dbraw/zinc/47/52/02/1047475202.db2.gz NQRPLMLCULANRW-UHFFFAOYSA-N -1 3 324.207 4.324 20 0 DIADHM COc1cccc(NCc2cccc([O-])c2Br)c1C ZINC001203127813 1047522901 /nfs/dbraw/zinc/52/29/01/1047522901.db2.gz OOOUIENJMNYONG-UHFFFAOYSA-N -1 3 322.202 4.084 20 0 DIADHM CC(C)[C@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CC12CC=CC2 ZINC001143023132 1047526348 /nfs/dbraw/zinc/52/63/48/1047526348.db2.gz QCWKITGCWZSMSK-LJQANCHMSA-N -1 3 321.420 4.362 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1cc(C)ccc1[O-] ZINC001150432379 1047576689 /nfs/dbraw/zinc/57/66/89/1047576689.db2.gz XJHGNJJDOAYHJR-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM COCOc1c(C)cccc1Nc1ccc(C)c([O-])c1Cl ZINC001214855366 1047579625 /nfs/dbraw/zinc/57/96/25/1047579625.db2.gz VQGGCOKGLRNARB-UHFFFAOYSA-N -1 3 307.777 4.389 20 0 DIADHM O=C(/C=C/CCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001151753391 1047601844 /nfs/dbraw/zinc/60/18/44/1047601844.db2.gz KOCPYRVXRVVJKF-WEVVVXLNSA-N -1 3 301.773 4.173 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c([O-])c1 ZINC001152258343 1047609161 /nfs/dbraw/zinc/60/91/61/1047609161.db2.gz GHXDCNSSGWZHGF-UHFFFAOYSA-N -1 3 309.287 4.284 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2cc(F)ccc2F)n1 ZINC000477356219 1047614375 /nfs/dbraw/zinc/61/43/75/1047614375.db2.gz SMFRIXGSEHICDV-SECBINFHSA-N -1 3 310.369 4.017 20 0 DIADHM O=C(CCCc1ccc(Cl)cc1)[N-]OCCCC(F)(F)F ZINC001152774799 1047615578 /nfs/dbraw/zinc/61/55/78/1047615578.db2.gz KWEGFHDDQKVJFY-UHFFFAOYSA-N -1 3 323.742 4.053 20 0 DIADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)cc2n[nH]cc21 ZINC001153096861 1047620047 /nfs/dbraw/zinc/62/00/47/1047620047.db2.gz UTLUXAYUYPRDIZ-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2cccc(O)c21 ZINC001153460219 1047624765 /nfs/dbraw/zinc/62/47/65/1047624765.db2.gz DDKLMARFCCWUCO-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)c1 ZINC001153730382 1047631568 /nfs/dbraw/zinc/63/15/68/1047631568.db2.gz BUDNQQRSKQFZNN-UHFFFAOYSA-N -1 3 301.361 4.390 20 0 DIADHM O=C(CCc1ccc2ccccc2c1)[N-]OCc1ccc(F)cc1 ZINC001153999458 1047636505 /nfs/dbraw/zinc/63/65/05/1047636505.db2.gz DBLVQUMSOLUUOQ-UHFFFAOYSA-N -1 3 323.367 4.160 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc2ccccc2c1F ZINC001154295486 1047644862 /nfs/dbraw/zinc/64/48/62/1047644862.db2.gz PIBXCLPCDOBAKN-UHFFFAOYSA-N -1 3 323.323 4.139 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001154444429 1047648663 /nfs/dbraw/zinc/64/86/63/1047648663.db2.gz FKOZIBGKDYNHIA-CABCVRRESA-N -1 3 303.446 4.425 20 0 DIADHM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1cnoc1C(C)C ZINC001155104717 1047667848 /nfs/dbraw/zinc/66/78/48/1047667848.db2.gz UQBCFUBDUDFQAO-UHFFFAOYSA-N -1 3 311.341 4.014 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3nc(C)cc(C)c3c2)c([O-])c1 ZINC001155325083 1047677412 /nfs/dbraw/zinc/67/74/12/1047677412.db2.gz GTZNWMPWEZTEMW-UHFFFAOYSA-N -1 3 320.392 4.372 20 0 DIADHM CC1(C)Cc2c(cccc2C(=O)Nc2cc([O-])cc(Cl)c2)O1 ZINC001155747122 1047688410 /nfs/dbraw/zinc/68/84/10/1047688410.db2.gz CVDHMEZTRXAMKG-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM Cc1csc2cnc([N-][C@@H](c3ccccn3)C(F)(F)F)nc12 ZINC001157684515 1047749326 /nfs/dbraw/zinc/74/93/26/1047749326.db2.gz OOTNNUGPQBSWEP-LBPRGKRZSA-N -1 3 324.331 4.110 20 0 DIADHM CCSCc1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001158324634 1047774677 /nfs/dbraw/zinc/77/46/77/1047774677.db2.gz LFGIMNNIULHYPB-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM CCC[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001158340483 1047777050 /nfs/dbraw/zinc/77/70/50/1047777050.db2.gz YKLLMPDBCNTBEJ-SFHVURJKSA-N -1 3 323.436 4.388 20 0 DIADHM CCCN(C(=O)c1cccc(OC)c1[O-])c1ccc(CC)cc1 ZINC001158545106 1047788751 /nfs/dbraw/zinc/78/87/51/1047788751.db2.gz FVYQVZZTQIZHCU-UHFFFAOYSA-N -1 3 313.397 4.020 20 0 DIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)c(Cl)cc1F ZINC000552780112 1047794198 /nfs/dbraw/zinc/79/41/98/1047794198.db2.gz WYBKNXKRTGZRNE-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM COc1ccc(CS[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1Cl ZINC000478612172 1047799474 /nfs/dbraw/zinc/79/94/74/1047799474.db2.gz SJXTZUCYLAWVSK-JTQLQIEISA-N -1 3 324.833 4.147 20 0 DIADHM CC[C@H](CC1CCCCC1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063307 1047810559 /nfs/dbraw/zinc/81/05/59/1047810559.db2.gz JKOGNFWHRRKQPB-CYBMUJFWSA-N 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/nfs/dbraw/zinc/92/20/39/1047922039.db2.gz VSNDKBSJHRXWIT-AWEZNQCLSA-N -1 3 318.764 4.120 20 0 DIADHM [O-]c1cccc(Nc2cccc3[nH]ccc32)c1Br ZINC001174652086 1047937411 /nfs/dbraw/zinc/93/74/11/1047937411.db2.gz AWHHMVOKGQMKRI-UHFFFAOYSA-N -1 3 303.159 4.380 20 0 DIADHM COc1c(F)ccc(F)c1Nc1nc2c(cccc2[O-])s1 ZINC001174660195 1047938667 /nfs/dbraw/zinc/93/86/67/1047938667.db2.gz JZCXYXFGRXRTEW-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1c(C)cccc1C ZINC001198361835 1047948684 /nfs/dbraw/zinc/94/86/84/1047948684.db2.gz JCIWDZAXZUQXMA-UHFFFAOYSA-N -1 3 314.410 4.021 20 0 DIADHM COc1ccc(C(F)(F)F)cc1Nc1ccc([O-])c(F)c1F ZINC001174774988 1047969221 /nfs/dbraw/zinc/96/92/21/1047969221.db2.gz FWCKVEPJRJIBDZ-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM C=CS(=O)(=O)[N-]c1ccccc1Oc1ccc(Cl)cc1 ZINC001198609063 1047982997 /nfs/dbraw/zinc/98/29/97/1047982997.db2.gz PEQGFCTYHAHRLL-UHFFFAOYSA-N -1 3 309.774 4.018 20 0 DIADHM [O-]c1cc(Nc2ccc(OC(F)(F)F)c(F)c2)c(F)cc1F ZINC001213021038 1047986552 /nfs/dbraw/zinc/98/65/52/1047986552.db2.gz LMAMKPMEHJMGIN-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM CC(C)c1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001198618599 1047991462 /nfs/dbraw/zinc/99/14/62/1047991462.db2.gz NSFRYDAYHAUYBX-UHFFFAOYSA-N -1 3 304.390 4.464 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001184219479 1048009426 /nfs/dbraw/zinc/00/94/26/1048009426.db2.gz XTLVVYKEVFYSEQ-HDJSIYSDSA-N -1 3 317.429 4.386 20 0 DIADHM CC(C)(C)OCc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001174911192 1048023981 /nfs/dbraw/zinc/02/39/81/1048023981.db2.gz JLXNLXFROVAFHZ-UHFFFAOYSA-N -1 3 313.357 4.388 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(Cl)c1C ZINC001184682359 1048083977 /nfs/dbraw/zinc/08/39/77/1048083977.db2.gz ANYHKYJHDLUFSS-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM C[C@@H](NC(=O)Nc1cc2ccccc2cc1[O-])c1ccccc1 ZINC001185013230 1048112863 /nfs/dbraw/zinc/11/28/63/1048112863.db2.gz NQKDLFUVXPOFBQ-CYBMUJFWSA-N -1 3 306.365 4.428 20 0 DIADHM CC(=O)Nc1ccc(Cl)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099632 1048113945 /nfs/dbraw/zinc/11/39/45/1048113945.db2.gz AQRYCIMVAFODEO-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC001175100594 1048115578 /nfs/dbraw/zinc/11/55/78/1048115578.db2.gz XGPNKLYDZLXGNE-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM CCCCOc1ccc(C(=O)NCC2(C)CCCCC2)c([O-])c1 ZINC001161436786 1048130638 /nfs/dbraw/zinc/13/06/38/1048130638.db2.gz KXWIOEUXEPMYJK-UHFFFAOYSA-N -1 3 319.445 4.271 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(F)c2Br)c(F)c1 ZINC001175098080 1048142790 /nfs/dbraw/zinc/14/27/90/1048142790.db2.gz XPNMKKQBWUYKNF-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)Nc1ccc(F)c(F)c1F ZINC001185331012 1048167016 /nfs/dbraw/zinc/16/70/16/1048167016.db2.gz LBUXZZFJQHBPPE-UHFFFAOYSA-N -1 3 316.666 4.107 20 0 DIADHM Cc1ccc(Cl)c(Cl)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185392043 1048171140 /nfs/dbraw/zinc/17/11/40/1048171140.db2.gz HQYGOKINTZKNOZ-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM C[C@@H]1CCC[C@H](OCCCCCC(=O)[N-]OC2CCCC2)C1 ZINC000774870806 1048173915 /nfs/dbraw/zinc/17/39/15/1048173915.db2.gz ZMGPKVMDWXRWMJ-WBVHZDCISA-N -1 3 311.466 4.133 20 0 DIADHM CCOc1cc(C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1 ZINC001175172992 1048182972 /nfs/dbraw/zinc/18/29/72/1048182972.db2.gz KAPMHCYGHQHYDQ-UHFFFAOYSA-N -1 3 323.396 4.337 20 0 DIADHM CC(=O)c1ccccc1Nc1cc(Br)cc(F)c1[O-] ZINC001175181019 1048185923 /nfs/dbraw/zinc/18/59/23/1048185923.db2.gz ZQVDCWJSLKYLGF-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM [O-]c1ccc(Nc2cccc(O[C@H]3CCCCO3)c2)c(F)c1F ZINC001175185352 1048189193 /nfs/dbraw/zinc/18/91/93/1048189193.db2.gz IGBDNJCYPFJQRH-HNNXBMFYSA-N -1 3 321.323 4.319 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(O[C@@H]3CCCCO3)c2)c(F)c1 ZINC001175189618 1048193769 /nfs/dbraw/zinc/19/37/69/1048193769.db2.gz HWGSITYCFXAYAG-MRXNPFEDSA-N -1 3 321.323 4.319 20 0 DIADHM NC(=O)c1ccc(Nc2ccc(-c3ccccc3)c(F)c2)cc1[O-] ZINC001175211317 1048195697 /nfs/dbraw/zinc/19/56/97/1048195697.db2.gz WVPDFEFVMDHOBY-UHFFFAOYSA-N -1 3 322.339 4.041 20 0 DIADHM CCc1ccccc1NC(=S)Nc1c([O-])cccc1Cl ZINC001201146742 1048200862 /nfs/dbraw/zinc/20/08/62/1048200862.db2.gz NGISVNKERMDXPY-UHFFFAOYSA-N -1 3 306.818 4.417 20 0 DIADHM CCN(Cc1occc1C)C(=O)c1cc2sccc2c([O-])c1 ZINC001162065826 1048222363 /nfs/dbraw/zinc/22/23/63/1048222363.db2.gz WGIFAOWNOOETMU-UHFFFAOYSA-N -1 3 315.394 4.171 20 0 DIADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC001175284115 1048230540 /nfs/dbraw/zinc/23/05/40/1048230540.db2.gz BUWRQWKLQGUXCO-LBPRGKRZSA-N -1 3 317.351 4.133 20 0 DIADHM CCCOc1c(F)c(F)c([N-]c2ncc(C)o2)c(F)c1F ZINC001201299763 1048232320 /nfs/dbraw/zinc/23/23/20/1048232320.db2.gz ITBJYBWPNZXNSR-UHFFFAOYSA-N -1 3 304.243 4.072 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000554956797 1048237799 /nfs/dbraw/zinc/23/77/99/1048237799.db2.gz OCOZAROXLVELHR-CYBMUJFWSA-N -1 3 301.773 4.104 20 0 DIADHM O=c1cc(Nc2cc(Cl)ccc2F)[n-]n1-c1ccccc1 ZINC001175298597 1048238984 /nfs/dbraw/zinc/23/89/84/1048238984.db2.gz JLKMJPQIUQUBBO-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(C(F)(F)F)cc(Cl)n2)c1F ZINC001175263881 1048243336 /nfs/dbraw/zinc/24/33/36/1048243336.db2.gz VGTSHBUPJBKTSZ-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(-c2ccc(F)cc2)n1 ZINC001175262839 1048243804 /nfs/dbraw/zinc/24/38/04/1048243804.db2.gz NXNBMOCHJQNAGE-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)c(Br)c1 ZINC001175264779 1048244165 /nfs/dbraw/zinc/24/41/65/1048244165.db2.gz HBGBABSNGRHCAW-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1ccc(F)c(Nc2ncc(C(F)(F)F)cc2Cl)c1F ZINC001175261555 1048244576 /nfs/dbraw/zinc/24/45/76/1048244576.db2.gz MHHTVKLCAJDMEZ-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM COc1cccc(-c2cc(Nc3c(F)ccc([O-])c3F)on2)c1 ZINC001175262561 1048244899 /nfs/dbraw/zinc/24/48/99/1048244899.db2.gz KFADXAVZLBVKNJ-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM Cc1cc(C)n(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2)n1 ZINC001175267849 1048245735 /nfs/dbraw/zinc/24/57/35/1048245735.db2.gz JCZTYHMLAVCTGF-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM Cc1cnn(-c2cccc(F)c2)c1Nc1c(F)ccc([O-])c1F ZINC001175266714 1048246480 /nfs/dbraw/zinc/24/64/80/1048246480.db2.gz XWTHGNCRLFEJGE-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1ccc(F)c(Nc2cnc3cc(F)c(F)cc3c2)c1F ZINC001175265594 1048246591 /nfs/dbraw/zinc/24/65/91/1048246591.db2.gz HQIJIKXTNZCSRC-UHFFFAOYSA-N -1 3 308.234 4.240 20 0 DIADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1Br ZINC001175268750 1048246960 /nfs/dbraw/zinc/24/69/60/1048246960.db2.gz SKHPJRPPCVKOPS-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1ccc(F)c(Nc2c(F)cccc2N2CCCC2)c1F ZINC001175271586 1048247806 /nfs/dbraw/zinc/24/78/06/1048247806.db2.gz WLYWXMXCFIYGOP-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM Cc1cc(OC(F)F)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268996 1048248204 /nfs/dbraw/zinc/24/82/04/1048248204.db2.gz VMRZYKGSIUMZCC-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM [O-]c1cccc(Nc2ccc3ncccc3c2)c1Br ZINC001175378086 1048287667 /nfs/dbraw/zinc/28/76/67/1048287667.db2.gz MJDDROOPUASEEQ-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM CSc1ccccc1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001186714238 1048334200 /nfs/dbraw/zinc/33/42/00/1048334200.db2.gz UDBKJZURCKZGRZ-UHFFFAOYSA-N -1 3 317.292 4.059 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Br)cc2c[nH]nc21 ZINC001175520845 1048351467 /nfs/dbraw/zinc/35/14/67/1048351467.db2.gz CEWKCHSHKDMQSC-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM O=C(NCC1CCCCC1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001186880551 1048352029 /nfs/dbraw/zinc/35/20/29/1048352029.db2.gz GHLWFRLLSSMULW-UHFFFAOYSA-N -1 3 316.323 4.113 20 0 DIADHM CC(C)CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001187210612 1048387637 /nfs/dbraw/zinc/38/76/37/1048387637.db2.gz ZPIWMKOGQPGNOJ-UHFFFAOYSA-N -1 3 324.273 4.098 20 0 DIADHM O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(F)ccc1[O-] ZINC001187147476 1048378868 /nfs/dbraw/zinc/37/88/68/1048378868.db2.gz HPVIDTWWYFZSAR-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CC(C)(C)Oc1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001187363860 1048391838 /nfs/dbraw/zinc/39/18/38/1048391838.db2.gz LKGBFDBWDWWXSV-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM CSc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001175656880 1048408444 /nfs/dbraw/zinc/40/84/44/1048408444.db2.gz IEHNBVIFUGLAQK-UHFFFAOYSA-N -1 3 311.204 4.015 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccnc1-c1ccccc1 ZINC001187822668 1048444476 /nfs/dbraw/zinc/44/44/76/1048444476.db2.gz LXGWERZZFXGQCH-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCCn1nc(C)cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001175803087 1048464745 /nfs/dbraw/zinc/46/47/45/1048464745.db2.gz DWYNJDUNCHGDFR-UHFFFAOYSA-N -1 3 300.189 4.358 20 0 DIADHM CC(=O)OCc1cccc(C)c1Nc1ccc([O-])c(Cl)c1 ZINC001212771492 1048466565 /nfs/dbraw/zinc/46/65/65/1048466565.db2.gz VGVDBCVQPJZFLG-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM CSc1ccc(NC(=O)[N-]c2cc(-c3ccco3)no2)cc1 ZINC001188080277 1048472980 /nfs/dbraw/zinc/47/29/80/1048472980.db2.gz UWBAYAFOYFENNV-UHFFFAOYSA-N -1 3 315.354 4.301 20 0 DIADHM Cc1ccccc1NC(=O)Nc1cc(Br)ccc1[O-] ZINC001202186836 1048474971 /nfs/dbraw/zinc/47/49/71/1048474971.db2.gz AGNGOISUCILCSM-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM CC(=O)OCc1cccc(C)c1Nc1cccc([O-])c1Cl ZINC001212772163 1048490351 /nfs/dbraw/zinc/49/03/51/1048490351.db2.gz VIGJSVNMRKKAEB-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1cccc(Cl)c1 ZINC001202239815 1048501515 /nfs/dbraw/zinc/50/15/15/1048501515.db2.gz VWKNNTLTSWVXPQ-UHFFFAOYSA-N -1 3 303.705 4.232 20 0 DIADHM CCc1ccc(C(=O)Nc2c(F)cccc2NC(C)C)c([O-])c1 ZINC001163744674 1048514636 /nfs/dbraw/zinc/51/46/36/1048514636.db2.gz RNTLONBQRTULAF-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1ccncc1 ZINC001188655734 1048536715 /nfs/dbraw/zinc/53/67/15/1048536715.db2.gz YPMYRBFJGQDSPS-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2cccc(O)c2)cc1 ZINC001188655667 1048536905 /nfs/dbraw/zinc/53/69/05/1048536905.db2.gz UXNPKAPOODUYCT-UHFFFAOYSA-N -1 3 319.360 4.326 20 0 DIADHM CCCCCSCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001189049400 1048584922 /nfs/dbraw/zinc/58/49/22/1048584922.db2.gz GTVMJWBTHICUPV-UHFFFAOYSA-N -1 3 306.427 4.484 20 0 DIADHM O=C([N-]c1cc(-c2ccc(Cl)cc2)no1)Nc1nccs1 ZINC001189344528 1048620433 /nfs/dbraw/zinc/62/04/33/1048620433.db2.gz SYDJYFNCSSODJO-UHFFFAOYSA-N -1 3 320.761 4.096 20 0 DIADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccc1F ZINC001164527493 1048638976 /nfs/dbraw/zinc/63/89/76/1048638976.db2.gz QMXPRKIUMYQKFL-HNNXBMFYSA-N -1 3 319.401 4.134 20 0 DIADHM CCc1cccc(CC)c1NC(=O)Nc1ncc([O-])cc1Cl ZINC001189747025 1048658875 /nfs/dbraw/zinc/65/88/75/1048658875.db2.gz JTKHLCZKVZZTOJ-UHFFFAOYSA-N -1 3 319.792 4.209 20 0 DIADHM CC(C)(C)c1nc([N-]c2ccc(Oc3ccccc3)nc2)no1 ZINC001176374940 1048665434 /nfs/dbraw/zinc/66/54/34/1048665434.db2.gz APEXYRULGLSOEZ-UHFFFAOYSA-N -1 3 310.357 4.298 20 0 DIADHM Cc1oc(CN(C)CCc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000568064546 1048675899 /nfs/dbraw/zinc/67/58/99/1048675899.db2.gz HXBXRLBGULCMQX-UHFFFAOYSA-N -1 3 323.392 4.114 20 0 DIADHM CCc1cc(C(=O)[N-]c2ccccc2SC(C)(C)C)no1 ZINC001190004570 1048689177 /nfs/dbraw/zinc/68/91/77/1048689177.db2.gz ZVMAAKYHVZBHTO-UHFFFAOYSA-N -1 3 304.415 4.380 20 0 DIADHM O=c1cc(Nc2cccc(OCC3CC3)c2)[n-]n1-c1ccccc1 ZINC001176492588 1048697104 /nfs/dbraw/zinc/69/71/04/1048697104.db2.gz FXZQPYLDDLDXJY-UHFFFAOYSA-N -1 3 321.380 4.110 20 0 DIADHM C[C@@H](SCc1nnc(-c2ccccc2[O-])o1)c1cccs1 ZINC001165710851 1048709605 /nfs/dbraw/zinc/70/96/05/1048709605.db2.gz UEPJDRAMHCWMOC-SNVBAGLBSA-N -1 3 318.423 4.498 20 0 DIADHM [O-]c1ccc(Nc2cccc(OC(F)(F)F)c2)c(F)c1F ZINC001176541192 1048713223 /nfs/dbraw/zinc/71/32/23/1048713223.db2.gz SAPIEEZBKJLKDX-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2c(C)cccc2C)c([O-])c1 ZINC001166231434 1048741445 /nfs/dbraw/zinc/74/14/45/1048741445.db2.gz CHZNAFJVBKCUCM-KRWDZBQOSA-N -1 3 309.409 4.295 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3)c2)c([O-])c1C ZINC001177208406 1048843275 /nfs/dbraw/zinc/84/32/75/1048843275.db2.gz ZANYLZOETXXLOB-UHFFFAOYSA-N -1 3 324.424 4.170 20 0 DIADHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001191082366 1048844701 /nfs/dbraw/zinc/84/47/01/1048844701.db2.gz BQCPXZPEEQBYKL-VIFPVBQESA-N -1 3 324.273 4.096 20 0 DIADHM CC(C)Oc1ncc(Cl)cc1Nc1cc([O-])c(F)cc1F ZINC001203314033 1048865963 /nfs/dbraw/zinc/86/59/63/1048865963.db2.gz MDDPXILZWYJWTF-UHFFFAOYSA-N -1 3 314.719 4.250 20 0 DIADHM CC(C)Oc1ncc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001203315383 1048868142 /nfs/dbraw/zinc/86/81/42/1048868142.db2.gz JSOMITPASIERAQ-UHFFFAOYSA-N -1 3 314.719 4.250 20 0 DIADHM O=C(c1cccc(Nc2cc(F)c(F)cc2[O-])c1)C(F)(F)F ZINC001203344675 1048874879 /nfs/dbraw/zinc/87/48/79/1048874879.db2.gz OARKHOFMLUHANF-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(N3CCCCC3)cc2)cc1F ZINC001203724618 1048980833 /nfs/dbraw/zinc/98/08/33/1048980833.db2.gz SKRXWRRXSGDRSK-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM Cc1cccnc1[C@H](NCc1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000904268699 1049009497 /nfs/dbraw/zinc/00/94/97/1049009497.db2.gz ZHRLRDRLZYMBER-HNNXBMFYSA-N -1 3 318.442 4.027 20 0 DIADHM CCCCCCNC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001191977365 1049027330 /nfs/dbraw/zinc/02/73/30/1049027330.db2.gz COCPGNRDWZNBBA-UHFFFAOYSA-N -1 3 304.312 4.113 20 0 DIADHM CC(C)Cc1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000904413257 1049063035 /nfs/dbraw/zinc/06/30/35/1049063035.db2.gz NRSLETNBAIDVIU-UHFFFAOYSA-N -1 3 308.381 4.232 20 0 DIADHM CC(C)Cc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001179309160 1049152574 /nfs/dbraw/zinc/15/25/74/1049152574.db2.gz WWWJXCPMSYSPHA-UHFFFAOYSA-N -1 3 321.424 4.389 20 0 DIADHM CC(C)c1cccnc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000857476758 1049159346 /nfs/dbraw/zinc/15/93/46/1049159346.db2.gz SBINHLVTMFHHLR-UHFFFAOYSA-N -1 3 310.397 4.042 20 0 DIADHM C[C@H](CC(=O)[N-]OC1CCCCC1)Cc1ccc(Cl)cc1 ZINC000857492887 1049162363 /nfs/dbraw/zinc/16/23/63/1049162363.db2.gz OITKANGYOLSIGC-ZDUSSCGKSA-N -1 3 309.837 4.289 20 0 DIADHM CC(C)c1ncsc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000857526962 1049169756 /nfs/dbraw/zinc/16/97/56/1049169756.db2.gz QJYJSRBOUUVAAA-UHFFFAOYSA-N -1 3 316.426 4.103 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1F ZINC000485075599 1049174383 /nfs/dbraw/zinc/17/43/83/1049174383.db2.gz FOTAGBIRVHLILJ-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM O=C(Nc1c([O-])cccc1C(F)(F)F)OC1CCCCC1 ZINC001193634089 1049234429 /nfs/dbraw/zinc/23/44/29/1049234429.db2.gz CDIHMAVDHIFUAW-UHFFFAOYSA-N -1 3 303.280 4.292 20 0 DIADHM Cc1cc(CN2CCC(CC3CCCCC3)CC2)oc1C(=O)[O-] ZINC000905776991 1049246755 /nfs/dbraw/zinc/24/67/55/1049246755.db2.gz QBUQGDWMWRLGGR-UHFFFAOYSA-N -1 3 319.445 4.469 20 0 DIADHM Cc1cccnc1[C@@H](NCc1cc(C(=O)[O-])cs1)C(C)(C)C ZINC000905798063 1049254891 /nfs/dbraw/zinc/25/48/91/1049254891.db2.gz LYERZEUGNNFEHH-OAHLLOKOSA-N -1 3 318.442 4.027 20 0 DIADHM O=C(Nc1ccc2c(c1)N=NC2)c1ccc([O-])cc1C(F)(F)F ZINC001193746574 1049260010 /nfs/dbraw/zinc/26/00/10/1049260010.db2.gz CMNRKSRONKHOCE-UHFFFAOYSA-N -1 3 321.258 4.261 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC001204817311 1049274354 /nfs/dbraw/zinc/27/43/54/1049274354.db2.gz RXLBVSVAPKJZOO-INIZCTEOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cccc(Nc2cc(F)cc(F)c2F)c1Br ZINC001206417031 1049350223 /nfs/dbraw/zinc/35/02/23/1049350223.db2.gz HGZUSZNIFNOCEK-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1csc2nc(-c3ccc([O-])cc3C(F)(F)F)ncc12 ZINC001205073553 1049362999 /nfs/dbraw/zinc/36/29/99/1049362999.db2.gz RKWDLAJDZIVRDB-UHFFFAOYSA-N -1 3 310.300 4.391 20 0 DIADHM [O-]c1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1Cl ZINC001180452217 1049367423 /nfs/dbraw/zinc/36/74/23/1049367423.db2.gz IUVVWRAAHIAEHV-UHFFFAOYSA-N -1 3 317.791 4.474 20 0 DIADHM Oc1ccc(-c2ccc([N-]c3nnc(-c4ccco4)o3)cc2)cc1 ZINC001205129158 1049387730 /nfs/dbraw/zinc/38/77/30/1049387730.db2.gz QJQIWYSWMZRHEW-UHFFFAOYSA-N -1 3 319.320 4.446 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC001194603280 1049397285 /nfs/dbraw/zinc/39/72/85/1049397285.db2.gz RLHGXKWRZBRSOL-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC001194602954 1049398582 /nfs/dbraw/zinc/39/85/82/1049398582.db2.gz KOUKKXYKQYPERA-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1CC(C)C ZINC001194642197 1049403483 /nfs/dbraw/zinc/40/34/83/1049403483.db2.gz BFXPMKARRHZTAR-UHFFFAOYSA-N -1 3 317.454 4.303 20 0 DIADHM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642062 1049403678 /nfs/dbraw/zinc/40/36/78/1049403678.db2.gz FHRLFBDWFFKXOA-UHFFFAOYSA-N -1 3 315.438 4.290 20 0 DIADHM CCC(CC)COC(=O)Nc1cc(Br)ccc1[O-] ZINC001194706112 1049417311 /nfs/dbraw/zinc/41/73/11/1049417311.db2.gz ADWAUAMLFVTMNG-UHFFFAOYSA-N -1 3 316.195 4.139 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C ZINC001150982683 1049418047 /nfs/dbraw/zinc/41/80/47/1049418047.db2.gz RPMMSKNJFRCEEE-CVEARBPZSA-N -1 3 323.436 4.101 20 0 DIADHM CCC(CC)COC(=O)Nc1c([O-])cccc1Br ZINC001194706497 1049418803 /nfs/dbraw/zinc/41/88/03/1049418803.db2.gz GTAVQHUBWREFMI-UHFFFAOYSA-N -1 3 316.195 4.139 20 0 DIADHM O=C(CCc1ccc(-c2ccccc2)cc1)Nc1ncccc1[O-] ZINC001180940881 1049426237 /nfs/dbraw/zinc/42/62/37/1049426237.db2.gz XCSHRXHBFSJFHT-UHFFFAOYSA-N -1 3 318.376 4.026 20 0 DIADHM [O-]c1ccc(CN2CC3(CCC3)c3c2cccc3F)cc1F ZINC001205334988 1049440829 /nfs/dbraw/zinc/44/08/29/1049440829.db2.gz NKHURJUEJLOCQR-UHFFFAOYSA-N -1 3 301.336 4.112 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2c(C)cc(C)cc2C)c1[O-] ZINC001181266921 1049458477 /nfs/dbraw/zinc/45/84/77/1049458477.db2.gz VLCKAROFKFNNGA-UHFFFAOYSA-N -1 3 312.369 4.164 20 0 DIADHM CC(C)(C)c1cccc2c1OCCN2Cc1ccc([O-])c(F)c1 ZINC001205415079 1049464164 /nfs/dbraw/zinc/46/41/64/1049464164.db2.gz XCEJQHAVLDDNID-UHFFFAOYSA-N -1 3 315.388 4.228 20 0 DIADHM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccccc1-c1ccco1 ZINC001195080830 1049473451 /nfs/dbraw/zinc/47/34/51/1049473451.db2.gz LBWATFAAYUKLDV-UHFFFAOYSA-N -1 3 323.490 4.027 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)c1cc(Cl)c(Cl)s1 ZINC001195176232 1049492636 /nfs/dbraw/zinc/49/26/36/1049492636.db2.gz JDYSNVGENLYUCS-UHFFFAOYSA-N -1 3 306.145 4.152 20 0 DIADHM CCOc1cc(CN2CCc3cc(F)ccc32)cc(Cl)c1[O-] ZINC001205527426 1049493343 /nfs/dbraw/zinc/49/33/43/1049493343.db2.gz VYCVTEKVFZYYGC-UHFFFAOYSA-N -1 3 321.779 4.146 20 0 DIADHM CCc1ccc([C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC001182071906 1049567803 /nfs/dbraw/zinc/56/78/03/1049567803.db2.gz KPFNZIGNHPIEIN-HNNXBMFYSA-N -1 3 317.379 4.222 20 0 DIADHM Cn1ccc2cc(Nc3cc(Cl)c([O-])cc3Cl)cnc21 ZINC001205735332 1049587596 /nfs/dbraw/zinc/58/75/96/1049587596.db2.gz GWTMBRRPOGVFCQ-UHFFFAOYSA-N -1 3 308.168 4.329 20 0 DIADHM [O-]c1ccc(-c2nc3ccccc3nc2C(F)(F)F)c(F)c1 ZINC001206038098 1049636008 /nfs/dbraw/zinc/63/60/08/1049636008.db2.gz RYLXZNAIXBKTNT-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CC(C)(C)[C@@H]1CCc2nnc(-c3ccc([O-])cc3F)cc2C1 ZINC001206045018 1049638869 /nfs/dbraw/zinc/63/88/69/1049638869.db2.gz WLCFKZLHIIQCQC-GFCCVEGCSA-N -1 3 300.377 4.139 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000588228818 1049976495 /nfs/dbraw/zinc/97/64/95/1049976495.db2.gz HDZCDVKQPNZKFT-UHFFFAOYSA-N -1 3 301.430 4.141 20 0 DIADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001208295275 1049989627 /nfs/dbraw/zinc/98/96/27/1049989627.db2.gz OKHBJMXSEWWULG-SNVBAGLBSA-N -1 3 324.273 4.241 20 0 DIADHM CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc([O-])cc2)cc1 ZINC000057547080 1050098240 /nfs/dbraw/zinc/09/82/40/1050098240.db2.gz FKUYYXIZOFLNJK-MTOJCTJASA-N -1 3 320.392 4.451 20 0 DIADHM COc1cc(C(F)(F)F)ccc1[N-]c1noc(C(C)(C)C)n1 ZINC001209881314 1050099242 /nfs/dbraw/zinc/09/92/42/1050099242.db2.gz MGDZGLXXHLFBRN-UHFFFAOYSA-N -1 3 315.295 4.138 20 0 DIADHM CC(=O)c1cc(Nc2ccc(F)cc2[O-])ccc1Br ZINC001210020890 1050123551 /nfs/dbraw/zinc/12/35/51/1050123551.db2.gz ZOAYJDGNURVWPT-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc([O-])ccc1Cl ZINC000573032338 1050116415 /nfs/dbraw/zinc/11/64/15/1050116415.db2.gz LOCPIZZQVXTUFC-NSHDSACASA-N -1 3 321.808 4.102 20 0 DIADHM Cc1cc2n[nH]cc2cc1Nc1cccc([O-])c1Br ZINC001210106010 1050137713 /nfs/dbraw/zinc/13/77/13/1050137713.db2.gz LUHAJPXLFQPNCI-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM Cc1ccc2c(Cl)c(C(=O)Nc3ncccc3[O-])sc2c1 ZINC000591421900 1050145957 /nfs/dbraw/zinc/14/59/57/1050145957.db2.gz QMLRKPZWKDUQNG-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1csc(Br)n1 ZINC001210218252 1050161872 /nfs/dbraw/zinc/16/18/72/1050161872.db2.gz HJZZMFXWUYINJR-UHFFFAOYSA-N -1 3 305.584 4.008 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ncc(F)cc1Br ZINC001210216437 1050161855 /nfs/dbraw/zinc/16/18/55/1050161855.db2.gz XBALCIODPZNUSN-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1ccnc(Br)c1Nc1cccc(Cl)c1[O-] ZINC001210215663 1050161965 /nfs/dbraw/zinc/16/19/65/1050161965.db2.gz LOHJBONXUMPQMY-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM CCOC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1C ZINC001210221961 1050162862 /nfs/dbraw/zinc/16/28/62/1050162862.db2.gz GPEHNODOKIRVTO-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM CCOC(=O)c1ccc(NC)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210221913 1050163240 /nfs/dbraw/zinc/16/32/40/1050163240.db2.gz CRCCPEWCFIXRRR-UHFFFAOYSA-N -1 3 320.776 4.008 20 0 DIADHM Cc1cc(=O)oc2cc(Nc3cccc(Cl)c3[O-])ccc12 ZINC001210220849 1050163446 /nfs/dbraw/zinc/16/34/46/1050163446.db2.gz ZRBFYGJXYQGLEH-UHFFFAOYSA-N -1 3 301.729 4.204 20 0 DIADHM COc1cc(Nc2cccc(Cl)c2[O-])ncc1C(F)(F)F ZINC001210220218 1050163555 /nfs/dbraw/zinc/16/35/55/1050163555.db2.gz PGEUJPSENMLYFZ-UHFFFAOYSA-N -1 3 318.682 4.212 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1cccc(Cl)c1[O-] ZINC001210220772 1050163578 /nfs/dbraw/zinc/16/35/78/1050163578.db2.gz YSQSWUFBRDYXAP-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM COc1ccc(Nc2cccc(Cl)c2[O-])c2ccncc12 ZINC001210223029 1050165078 /nfs/dbraw/zinc/16/50/78/1050165078.db2.gz HWRWHHTZLGPMLN-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM Nc1ccc(OC(F)(F)F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222741 1050166231 /nfs/dbraw/zinc/16/62/31/1050166231.db2.gz CIYVRLULBQMUMH-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210222663 1050166299 /nfs/dbraw/zinc/16/62/99/1050166299.db2.gz RSLXBVZHBVMLOC-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM CC(C)n1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001210317424 1050202285 /nfs/dbraw/zinc/20/22/85/1050202285.db2.gz BLAAHSAAPVVUHS-UHFFFAOYSA-N -1 3 321.178 4.111 20 0 DIADHM COc1ccccc1[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000573573480 1050216245 /nfs/dbraw/zinc/21/62/45/1050216245.db2.gz FVTIQJGEWVMACV-NSHDSACASA-N -1 3 316.426 4.063 20 0 DIADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001136909645 1050232363 /nfs/dbraw/zinc/23/23/63/1050232363.db2.gz XDKJKFNGGWMPCA-IUODEOHRSA-N -1 3 307.459 4.155 20 0 DIADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001136943236 1050250197 /nfs/dbraw/zinc/25/01/97/1050250197.db2.gz ZKYWPGNGXOXYNI-HZPDHXFCSA-N -1 3 323.436 4.048 20 0 DIADHM O=c1ccc2c(Nc3c(Cl)ccc([O-])c3F)cccc2[nH]1 ZINC001214563383 1050250640 /nfs/dbraw/zinc/25/06/40/1050250640.db2.gz DAZBABXXQASLBZ-UHFFFAOYSA-N -1 3 304.708 4.182 20 0 DIADHM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccccc2[O-])cc1 ZINC001136952745 1050252091 /nfs/dbraw/zinc/25/20/91/1050252091.db2.gz FSVJWHQKYGIBNB-HNAYVOBHSA-N -1 3 309.409 4.314 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccc(OCC(F)(F)F)cc1 ZINC001210741620 1050356761 /nfs/dbraw/zinc/35/67/61/1050356761.db2.gz UOBFEDGCCSTPSQ-UHFFFAOYSA-N -1 3 318.682 4.125 20 0 DIADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)c(Cl)s1 ZINC001210852229 1050389825 /nfs/dbraw/zinc/38/98/25/1050389825.db2.gz XTQBASIIUYNPEZ-UHFFFAOYSA-N -1 3 318.181 4.291 20 0 DIADHM [O-]c1cccc(Nc2cnc(F)c(Br)c2)c1Cl ZINC001210845583 1050390109 /nfs/dbraw/zinc/39/01/09/1050390109.db2.gz YXALLJMUCAXEQT-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1cccc2cc(Nc3cccc([O-])c3Cl)cnc21 ZINC001210853622 1050390938 /nfs/dbraw/zinc/39/09/38/1050390938.db2.gz AAZAWHQHOZJXSN-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cccc(Nc2cc(Br)ncc2F)c1Cl ZINC001210853783 1050393802 /nfs/dbraw/zinc/39/38/02/1050393802.db2.gz JUVVMLJSTPAPCD-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc([O-])c1Cl ZINC001210844858 1050391572 /nfs/dbraw/zinc/39/15/72/1050391572.db2.gz OBMFCFALKQUYCO-UHFFFAOYSA-N -1 3 320.179 4.134 20 0 DIADHM COC(=O)[C@H](C)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210859148 1050393672 /nfs/dbraw/zinc/39/36/72/1050393672.db2.gz CNDOBTJQBMGJPC-SNVBAGLBSA-N -1 3 305.761 4.066 20 0 DIADHM CC1(C)C(=O)Nc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210860584 1050394549 /nfs/dbraw/zinc/39/45/49/1050394549.db2.gz ZTQNSWHEKRIZKV-UHFFFAOYSA-N -1 3 302.761 4.019 20 0 DIADHM O=C1CCCc2cc(Nc3cccc([O-])c3Cl)ccc2N1 ZINC001210859617 1050395228 /nfs/dbraw/zinc/39/52/28/1050395228.db2.gz IFZJNYKTOAZRLD-UHFFFAOYSA-N -1 3 302.761 4.064 20 0 DIADHM COC(=O)c1cc(C)c(Nc2cccc([O-])c2Cl)cc1C ZINC001210859910 1050395702 /nfs/dbraw/zinc/39/57/02/1050395702.db2.gz LTWYQHMZWMDEGO-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM Cc1nc2c(cc([N-]c3nonc3C3CC3)cc2F)n1C(C)C ZINC001210922130 1050413959 /nfs/dbraw/zinc/41/39/59/1050413959.db2.gz BJWAVMOCSOJROL-UHFFFAOYSA-N -1 3 315.352 4.069 20 0 DIADHM C[C@H](OC(=O)c1cc2occc2[n-]1)c1ccc(OC(F)F)cc1 ZINC000786030231 1050444267 /nfs/dbraw/zinc/44/42/67/1050444267.db2.gz MTGGNKFPMLIRAT-VIFPVBQESA-N -1 3 321.279 4.280 20 0 DIADHM Cc1ccc(-c2cc(COC(=O)c3cc4occc4[n-]3)on2)cc1 ZINC000786030985 1050444393 /nfs/dbraw/zinc/44/43/93/1050444393.db2.gz DWHIUZZZJYAUPM-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(Cl)nnc2Cl)c1F ZINC001214553800 1050471923 /nfs/dbraw/zinc/47/19/23/1050471923.db2.gz ABDAETWZOBSYDX-UHFFFAOYSA-N -1 3 308.527 4.025 20 0 DIADHM [O-]c1cc(Nc2cc(O)cc(OC(F)(F)F)c2)c(F)cc1F ZINC001211121994 1050484272 /nfs/dbraw/zinc/48/42/72/1050484272.db2.gz HDHPFEXXXVSGOA-UHFFFAOYSA-N -1 3 321.201 4.018 20 0 DIADHM CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC=CC1 ZINC001144254551 1050520448 /nfs/dbraw/zinc/52/04/48/1050520448.db2.gz UKOTXYJNVGUDFX-UHFFFAOYSA-N -1 3 321.420 4.016 20 0 DIADHM Cc1ccc(OC(C)C)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001211277814 1050532148 /nfs/dbraw/zinc/53/21/48/1050532148.db2.gz JLKDSFQQRSZCOZ-UHFFFAOYSA-N -1 3 323.396 4.417 20 0 DIADHM Cc1nc(Cl)nc(Cl)c1Nc1c(Cl)ccc([O-])c1F ZINC001214554595 1050560407 /nfs/dbraw/zinc/56/04/07/1050560407.db2.gz VNSZRPUNAGKSJT-UHFFFAOYSA-N -1 3 322.554 4.334 20 0 DIADHM O=C(CCCc1ccccc1)[N-]OCc1ccc2ccccc2c1 ZINC000739899916 1050591611 /nfs/dbraw/zinc/59/16/11/1050591611.db2.gz XFNVCNRFOWKOSP-UHFFFAOYSA-N -1 3 319.404 4.411 20 0 DIADHM COC(=O)c1c(C)cc(Nc2cccc(Cl)c2[O-])cc1C ZINC001213123227 1050596853 /nfs/dbraw/zinc/59/68/53/1050596853.db2.gz ZWHAGLKPAOFTMJ-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001144553828 1050613460 /nfs/dbraw/zinc/61/34/60/1050613460.db2.gz RYIBWUAFHUGKPG-AWEZNQCLSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccc3Cl)C2)c(F)c1 ZINC001144554915 1050613632 /nfs/dbraw/zinc/61/36/32/1050613632.db2.gz LWNVSXIOBXRMEI-NSHDSACASA-N -1 3 323.770 4.313 20 0 DIADHM C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000787841844 1050627368 /nfs/dbraw/zinc/62/73/68/1050627368.db2.gz AYPOVJPREYPYJY-LBPRGKRZSA-N -1 3 320.335 4.298 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)OCCCc1ccsc1 ZINC000787841827 1050627775 /nfs/dbraw/zinc/62/77/75/1050627775.db2.gz ASUUMCKTVGYALJ-UHFFFAOYSA-N -1 3 322.401 4.092 20 0 DIADHM CC[C@H](C)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144616219 1050632551 /nfs/dbraw/zinc/63/25/51/1050632551.db2.gz GQYKBMDAZVZPPA-LBPRGKRZSA-N -1 3 301.361 4.226 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2cc(F)c([O-])cc2F)c1 ZINC001144646642 1050638906 /nfs/dbraw/zinc/63/89/06/1050638906.db2.gz FLILXLKLLSVRNZ-QGZVFWFLSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cc(F)c(CN2CCCC[C@H]2c2ccccc2)cc1F ZINC001144646855 1050639026 /nfs/dbraw/zinc/63/90/26/1050639026.db2.gz NMYZKFTZGQQIQW-KRWDZBQOSA-N -1 3 303.352 4.398 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1cc(F)c([O-])cc1F ZINC001144648780 1050639998 /nfs/dbraw/zinc/63/99/98/1050639998.db2.gz WVPQGIHBWLHQKM-QGZVFWFLSA-N -1 3 303.352 4.316 20 0 DIADHM Cc1cnn(-c2ccccc2F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377519 1050642679 /nfs/dbraw/zinc/64/26/79/1050642679.db2.gz SFPUJJNBYXMGDJ-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM CC(=O)n1ccc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213386394 1050643940 /nfs/dbraw/zinc/64/39/40/1050643940.db2.gz AGVMWEDYZWORMI-UHFFFAOYSA-N -1 3 302.280 4.029 20 0 DIADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC001144661539 1050645220 /nfs/dbraw/zinc/64/52/20/1050645220.db2.gz SHBTWEODDDURRV-IBGZPJMESA-N -1 3 317.388 4.271 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@H](Cc3ccccc3)C2)cc1F ZINC001144667710 1050646189 /nfs/dbraw/zinc/64/61/89/1050646189.db2.gz ZDKVLUTXOHPEPY-OAHLLOKOSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(F)nc(F)c2Cl)c1F ZINC001214556013 1050652568 /nfs/dbraw/zinc/65/25/68/1050652568.db2.gz GBRLNDCIVWSZRH-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM CCc1nc(C)c([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)s1 ZINC000741135895 1050659919 /nfs/dbraw/zinc/65/99/19/1050659919.db2.gz WYNMRKIUZKLDLO-SECBINFHSA-N -1 3 320.439 4.475 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000788265374 1050662128 /nfs/dbraw/zinc/66/21/28/1050662128.db2.gz SJQLALJJMHVEJX-UHFFFAOYSA-N -1 3 311.406 4.188 20 0 DIADHM CN(Cc1ccc(F)cc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788264182 1050663044 /nfs/dbraw/zinc/66/30/44/1050663044.db2.gz UJSJRYHLQOJLIE-UHFFFAOYSA-N -1 3 315.369 4.018 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H]1c1ccccc1 ZINC000788304716 1050664811 /nfs/dbraw/zinc/66/48/11/1050664811.db2.gz HWYNUUGSSLVTAA-XIKOKIGWSA-N -1 3 323.417 4.440 20 0 DIADHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000788304379 1050664893 /nfs/dbraw/zinc/66/48/93/1050664893.db2.gz JWVUESGCLUGLRA-JSGCOSHPSA-N -1 3 321.467 4.011 20 0 DIADHM Cc1nc2cc(NC(=O)c3cc4sccc4c([O-])c3)ccc2o1 ZINC000788270409 1050664956 /nfs/dbraw/zinc/66/49/56/1050664956.db2.gz KYWKBKKWEHPGGV-UHFFFAOYSA-N -1 3 324.361 4.309 20 0 DIADHM Clc1cc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)[n-]n1 ZINC001213500641 1050672384 /nfs/dbraw/zinc/67/23/84/1050672384.db2.gz MZHXWOULORVLKO-UHFFFAOYSA-N -1 3 321.123 4.180 20 0 DIADHM Clc1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)[n-]n1 ZINC001213500748 1050672538 /nfs/dbraw/zinc/67/25/38/1050672538.db2.gz QCMOMJJZYATENN-UHFFFAOYSA-N -1 3 315.547 4.087 20 0 DIADHM Cc1cc(C)c(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001213518618 1050679466 /nfs/dbraw/zinc/67/94/66/1050679466.db2.gz YCYCEQMVYYRHFX-UHFFFAOYSA-N -1 3 311.154 4.049 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1cccc(C(F)F)c1F ZINC001144820651 1050721270 /nfs/dbraw/zinc/72/12/70/1050721270.db2.gz LQJXCKWJAINXNQ-UHFFFAOYSA-N -1 3 312.316 4.133 20 0 DIADHM Cc1ncc(C(F)(F)F)cc1Nc1cc([O-])c(F)cc1F ZINC001213831019 1050757727 /nfs/dbraw/zinc/75/77/27/1050757727.db2.gz WOQDFKNDRFEWBI-UHFFFAOYSA-N -1 3 304.218 4.136 20 0 DIADHM COCOc1ccc(C)cc1Nc1nc2c(cccc2[O-])s1 ZINC001214233769 1050851245 /nfs/dbraw/zinc/85/12/45/1050851245.db2.gz GVDFPVIPFDJJBS-UHFFFAOYSA-N -1 3 316.382 4.037 20 0 DIADHM CCOc1ccc(C(=O)[O-])cc1Nc1ccnc(C2CCC2)c1 ZINC001214273573 1050858185 /nfs/dbraw/zinc/85/81/85/1050858185.db2.gz FPYCQUNAFPHRGU-UHFFFAOYSA-N -1 3 312.369 4.190 20 0 DIADHM COCOc1cccc(Cl)c1Nc1ccc([O-])c(Cl)c1 ZINC001214311417 1050865201 /nfs/dbraw/zinc/86/52/01/1050865201.db2.gz JNMRUOXSTHLAAU-UHFFFAOYSA-N -1 3 314.168 4.425 20 0 DIADHM COCOc1ccc(C)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001214357054 1050881845 /nfs/dbraw/zinc/88/18/45/1050881845.db2.gz RVKNRVYSOVGQJQ-UHFFFAOYSA-N -1 3 316.382 4.037 20 0 DIADHM [O-]c1ccc(Nc2ccc(OC(F)(F)F)cc2O)c(F)c1F ZINC001214392429 1050890211 /nfs/dbraw/zinc/89/02/11/1050890211.db2.gz CUKWVGPVDUZCOF-UHFFFAOYSA-N -1 3 321.201 4.018 20 0 DIADHM COCOc1ccc(Cl)cc1Nc1ccc([O-])c(Cl)c1 ZINC001214424259 1050900242 /nfs/dbraw/zinc/90/02/42/1050900242.db2.gz WFNSTQKPNOACCZ-UHFFFAOYSA-N -1 3 314.168 4.425 20 0 DIADHM COCOc1ccc(Cl)cc1Nc1c(F)cc([O-])cc1F ZINC001214428229 1050902351 /nfs/dbraw/zinc/90/23/51/1050902351.db2.gz MHXVNFLNSMFKKC-UHFFFAOYSA-N -1 3 315.703 4.050 20 0 DIADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001148068148 1050913877 /nfs/dbraw/zinc/91/38/77/1050913877.db2.gz HZIBJNFUPZERSV-HKUYNNGSSA-N -1 3 323.436 4.499 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c([O-])c1 ZINC001148038416 1050917699 /nfs/dbraw/zinc/91/76/99/1050917699.db2.gz HJRGTVAQJNGYSD-CRAIPNDOSA-N -1 3 323.436 4.220 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(C(F)(F)F)nc3ccsc32)c1 ZINC001241257674 1050934808 /nfs/dbraw/zinc/93/48/08/1050934808.db2.gz OHDYKJDFKNAPJM-UHFFFAOYSA-N -1 3 314.263 4.222 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnc(-c3ccccc3)cn2)c1F ZINC001214554613 1050939653 /nfs/dbraw/zinc/93/96/53/1050939653.db2.gz WDVBIBUOBYVSBH-UHFFFAOYSA-N -1 3 315.735 4.385 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnc3ccc(O)cc3c2)c1F ZINC001214556287 1050942237 /nfs/dbraw/zinc/94/22/37/1050942237.db2.gz 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3 320.270 4.436 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001215139481 1051087040 /nfs/dbraw/zinc/08/70/40/1051087040.db2.gz DSVDTNCKCYWQLU-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001215139954 1051087140 /nfs/dbraw/zinc/08/71/40/1051087140.db2.gz PLNDSNDJABGKMZ-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM CC(C)Oc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1F ZINC001215174548 1051103306 /nfs/dbraw/zinc/10/33/06/1051103306.db2.gz KGYXRDQDHOFBRG-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM CC(C)(CC(F)(F)F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792452209 1051139072 /nfs/dbraw/zinc/13/90/72/1051139072.db2.gz WWRHOSICZWDNLB-UHFFFAOYSA-N -1 3 311.303 4.006 20 0 DIADHM COCOc1ccc(Nc2cccc([O-])c2Cl)cc1Cl ZINC001215261623 1051140932 /nfs/dbraw/zinc/14/09/32/1051140932.db2.gz JQWSEXXAOXXUHO-UHFFFAOYSA-N -1 3 314.168 4.425 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(F)c(Cl)c3F)no2)c([O-])c1 ZINC001215296964 1051156166 /nfs/dbraw/zinc/15/61/66/1051156166.db2.gz 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NC(=O)c1ccc(Nc2ccc(F)c(-c3ccccc3)c2)cc1[O-] ZINC001215995766 1051513095 /nfs/dbraw/zinc/51/30/95/1051513095.db2.gz QJIOQHADIWXUOZ-UHFFFAOYSA-N -1 3 322.339 4.041 20 0 DIADHM COc1c(Cl)ccc(Nc2cc([O-])c(F)cc2F)c1F ZINC001212585188 1051529695 /nfs/dbraw/zinc/52/96/95/1051529695.db2.gz UYRWEUDENMPKSI-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM Nc1ccc(Nc2cccc([O-])c2Cl)cc1OC(F)(F)F ZINC001216034546 1051538375 /nfs/dbraw/zinc/53/83/75/1051538375.db2.gz WAKFGMBMEAWSDB-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM O=c1[n-]c(N[C@@H](C2CCC2)C(F)(F)F)c(Cl)cc1Cl ZINC001169282653 1051568343 /nfs/dbraw/zinc/56/83/43/1051568343.db2.gz TXPPBRLQKRPMEK-QMMMGPOBSA-N -1 3 315.122 4.237 20 0 DIADHM [O-]c1cc(Nc2nc(-c3ccncc3)cs2)ccc1Cl ZINC001212588457 1051578279 /nfs/dbraw/zinc/57/82/79/1051578279.db2.gz QGODLGGLCVLHCI-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM COc1ccc2ncc(Nc3ccc(Cl)c([O-])c3)cc2c1 ZINC001212589252 1051583450 /nfs/dbraw/zinc/58/34/50/1051583450.db2.gz CHKZRVYYHZEWCF-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM C[C@H](CNc1[n-]c(=O)c(Cl)cc1Cl)c1ccc(O)cc1 ZINC001169534101 1051636711 /nfs/dbraw/zinc/63/67/11/1051636711.db2.gz RTKVCZKKMFATOK-MRVPVSSYSA-N -1 3 313.184 4.015 20 0 DIADHM CN(C)Cc1cccc(Nc2cc([O-])c(Cl)cc2F)c1F ZINC001216230947 1051637137 /nfs/dbraw/zinc/63/71/37/1051637137.db2.gz JXHJSAUKXJYTKH-UHFFFAOYSA-N -1 3 312.747 4.129 20 0 DIADHM CCCOc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1F ZINC001169559763 1051644145 /nfs/dbraw/zinc/64/41/45/1051644145.db2.gz FHGHWEVKJZQUIN-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1C1CC1 ZINC001216251040 1051656713 /nfs/dbraw/zinc/65/67/13/1051656713.db2.gz ZZVCABDCMKMICV-UHFFFAOYSA-N -1 3 321.380 4.208 20 0 DIADHM COc1cc(Nc2ccc(Cl)c([O-])c2)c(Cl)c(OC)c1 ZINC001212593940 1051681621 /nfs/dbraw/zinc/68/16/21/1051681621.db2.gz MLILCDBMEZTKGB-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM COC(=O)c1c(C)c(Nc2ccc(Cl)c([O-])c2)ccc1F ZINC001212594375 1051690777 /nfs/dbraw/zinc/69/07/77/1051690777.db2.gz YFKHAALWOZJLHW-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM CC1(C)CC(=O)Nc2c(Nc3ccc(Cl)c([O-])c3)cccc21 ZINC001212595483 1051709183 /nfs/dbraw/zinc/70/91/83/1051709183.db2.gz WICVSRGLQUNZRZ-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM O=c1cc(Nc2cc(F)c(F)cc2Cl)[n-]n1-c1ccccc1 ZINC001216369503 1051727663 /nfs/dbraw/zinc/72/76/63/1051727663.db2.gz FURWXOXCIMMHRF-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001216536121 1051808342 /nfs/dbraw/zinc/80/83/42/1051808342.db2.gz CRNUQRLZXPFGTH-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001216536948 1051811405 /nfs/dbraw/zinc/81/14/05/1051811405.db2.gz UQTVOMFVXNGFEO-UHFFFAOYSA-N -1 3 306.365 4.296 20 0 DIADHM Cc1ccc(Nc2cncc(OCC3CC3)c2)c(Cl)c1[O-] ZINC001216600065 1051834854 /nfs/dbraw/zinc/83/48/54/1051834854.db2.gz SZSBCBIPNJTYHU-UHFFFAOYSA-N -1 3 304.777 4.281 20 0 DIADHM [O-]c1cc(F)cnc1Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC001216687038 1051865120 /nfs/dbraw/zinc/86/51/20/1051865120.db2.gz ZWPGFJLYUMWJMV-UHFFFAOYSA-N -1 3 321.311 4.478 20 0 DIADHM Cc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1F ZINC001216702608 1051866397 /nfs/dbraw/zinc/86/63/97/1051866397.db2.gz XOBNZFWBYKPCNC-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC001216701809 1051866622 /nfs/dbraw/zinc/86/66/22/1051866622.db2.gz BXNVIWWAARHFEA-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM CCCc1cccc(C(C)C)c1NC([O-])=NO[C@@H]1CCCCO1 ZINC001216734815 1051870592 /nfs/dbraw/zinc/87/05/92/1051870592.db2.gz XVZVHOSRYXMOCN-MRXNPFEDSA-N -1 3 320.433 4.342 20 0 DIADHM CCCc1cccc(C(C)C)c1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC001216734815 1051870599 /nfs/dbraw/zinc/87/05/99/1051870599.db2.gz XVZVHOSRYXMOCN-MRXNPFEDSA-N -1 3 320.433 4.342 20 0 DIADHM Cc1cc(F)ccc1Nc1cc(Br)cc(F)c1[O-] ZINC001173968098 1051897982 /nfs/dbraw/zinc/89/79/82/1051897982.db2.gz NJQFKXBKUIUKLN-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc(F)c3C)no2)cc1F ZINC001216896089 1051904301 /nfs/dbraw/zinc/90/43/01/1051904301.db2.gz SKJFIUSOLBILEW-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1F ZINC001216895754 1051904315 /nfs/dbraw/zinc/90/43/15/1051904315.db2.gz ISJYCIMSVYOUFU-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccc(CC)cc3)no2)c1[O-] ZINC001216957104 1051916243 /nfs/dbraw/zinc/91/62/43/1051916243.db2.gz UJULHGRBYJCUIR-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM CCC[C@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001626013373 1051920189 /nfs/dbraw/zinc/92/01/89/1051920189.db2.gz MZBNOJMYHCBCCU-HNNXBMFYSA-N -1 3 311.425 4.096 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccc3F)no2)c(C(F)(F)F)c1 ZINC001216982668 1051925009 /nfs/dbraw/zinc/92/50/09/1051925009.db2.gz LGEXDWJPOOVAEK-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccc(F)cc3)no2)c(C(F)(F)F)c1 ZINC001216983586 1051925651 /nfs/dbraw/zinc/92/56/51/1051925651.db2.gz VXTQYMCQLZFCIX-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM [O-]c1cc(Nc2ccc(OCC(F)F)cc2)c(F)cc1F ZINC001213307441 1051949378 /nfs/dbraw/zinc/94/93/78/1051949378.db2.gz XQAGSFCEWUDSRN-UHFFFAOYSA-N -1 3 301.239 4.058 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001217085667 1051949650 /nfs/dbraw/zinc/94/96/50/1051949650.db2.gz URMOHCOPTVZQBE-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2cc(C)ccc2Cl)no1 ZINC001217086034 1051949678 /nfs/dbraw/zinc/94/96/78/1051949678.db2.gz ZVUYIPVIBNJNOK-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)CNC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174078982 1051997101 /nfs/dbraw/zinc/99/71/01/1051997101.db2.gz IJFSPJJTXFGSJJ-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM Cc1cc(Cl)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242518676 1052015502 /nfs/dbraw/zinc/01/55/02/1052015502.db2.gz JWRFQGAACCMKOK-UHFFFAOYSA-N -1 3 304.724 4.413 20 0 DIADHM CC(F)(F)C(=O)[N-]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000808469631 1052036597 /nfs/dbraw/zinc/03/65/97/1052036597.db2.gz SLAIQFKFZZOGQC-UHFFFAOYSA-N -1 3 308.155 4.144 20 0 DIADHM CC(C)CNC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174194111 1052043994 /nfs/dbraw/zinc/04/39/94/1052043994.db2.gz VUMWMKULLLZHSB-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM COc1cccc(-c2noc(-c3c([O-])ccc4ccccc43)n2)c1 ZINC001217411774 1052048247 /nfs/dbraw/zinc/04/82/47/1052048247.db2.gz DXCNQGAEWNBNEK-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CC(C)c1nnc([N-]c2cccc(C(=O)Nc3ccccc3)c2)o1 ZINC001174205675 1052049601 /nfs/dbraw/zinc/04/96/01/1052049601.db2.gz VKJBOAFJCOUQAP-UHFFFAOYSA-N -1 3 322.368 4.189 20 0 DIADHM [O-]c1ccc(-c2nc(-c3cccc(F)c3)no2)c2ccccc12 ZINC001217435774 1052055206 /nfs/dbraw/zinc/05/52/06/1052055206.db2.gz GIXGOMQIMBNLFO-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1cccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1C ZINC001217492425 1052074471 /nfs/dbraw/zinc/07/44/71/1052074471.db2.gz XEQDKXYMNCOWPR-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cccc(-c2noc(-c3c([O-])cnc4ccc(C)cc43)n2)c1 ZINC001217501188 1052074742 /nfs/dbraw/zinc/07/47/42/1052074742.db2.gz KYWBCPXJERKWQE-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCc1cccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1 ZINC001217492293 1052075622 /nfs/dbraw/zinc/07/56/22/1052075622.db2.gz RUCZHOMFBFDXKX-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM C/C=C\C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770078935 1052148348 /nfs/dbraw/zinc/14/83/48/1052148348.db2.gz HXRQXJOCCYDYBS-DJWKRKHSSA-N -1 3 310.378 4.184 20 0 DIADHM Cc1ccc(NCc2cccc([O-])c2Br)c(F)c1 ZINC000315144752 1052332312 /nfs/dbraw/zinc/33/23/12/1052332312.db2.gz CCTXTZBYFIJODB-UHFFFAOYSA-N -1 3 310.166 4.214 20 0 DIADHM C/C(=C/C(=O)Nc1cc(Br)ccc1[O-])C(C)(C)C ZINC000762819694 1052424717 /nfs/dbraw/zinc/42/47/17/1052424717.db2.gz UDDQCVXCDDCWNL-CLFYSBASSA-N -1 3 312.207 4.086 20 0 DIADHM Cc1cc2c([n-]c(COc3ccc4ccccc4c3)nc2=O)s1 ZINC000193916824 1052510709 /nfs/dbraw/zinc/51/07/09/1052510709.db2.gz SSCYDGQWKCAKNX-UHFFFAOYSA-N -1 3 322.389 4.025 20 0 DIADHM Fc1ccc(Cl)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC000720745999 1052512270 /nfs/dbraw/zinc/51/22/70/1052512270.db2.gz DFIZXUPATYFVLB-UHFFFAOYSA-N -1 3 308.687 4.244 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncc(F)c(-c3ccsc3)n2)c1 ZINC001235900403 1052552467 /nfs/dbraw/zinc/55/24/67/1052552467.db2.gz NSDSLFZZQSHSTG-UHFFFAOYSA-N -1 3 306.749 4.370 20 0 DIADHM CC[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(C)cc1 ZINC000128361363 1052719991 /nfs/dbraw/zinc/71/99/91/1052719991.db2.gz SEJJMNSAZHDRAG-ZDUSSCGKSA-N -1 3 301.361 4.362 20 0 DIADHM Cc1ccc2c(CC(=O)Nc3cccc([O-])c3F)coc2c1C ZINC000128721017 1052747167 /nfs/dbraw/zinc/74/71/67/1052747167.db2.gz PJSYALKGYWKBMS-UHFFFAOYSA-N -1 3 313.328 4.076 20 0 DIADHM CC(C)CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128976954 1052763877 /nfs/dbraw/zinc/76/38/77/1052763877.db2.gz MQVIVAGNBIEZCT-UHFFFAOYSA-N -1 3 317.360 4.209 20 0 DIADHM COc1ccc([C@@H](Oc2ccc3c([O-])coc3c2)C(C)C)cc1 ZINC001225341646 1052776394 /nfs/dbraw/zinc/77/63/94/1052776394.db2.gz CJLLDLNTWQAIKO-IBGZPJMESA-N -1 3 312.365 4.046 20 0 DIADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1ccccc1C(F)(F)F ZINC001225343128 1052777055 /nfs/dbraw/zinc/77/70/55/1052777055.db2.gz PXDGFLIZWVULPS-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cccc(OC2CCCC2)c1 ZINC000129349805 1052784263 /nfs/dbraw/zinc/78/42/63/1052784263.db2.gz WXGDUAYDTNTRKW-UHFFFAOYSA-N -1 3 315.344 4.105 20 0 DIADHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000129403388 1052788118 /nfs/dbraw/zinc/78/81/18/1052788118.db2.gz FRPITTGDEATRSL-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(C(F)(F)F)c1 ZINC000322023328 1052803425 /nfs/dbraw/zinc/80/34/25/1052803425.db2.gz VOYVHXUBKCUGRU-UHFFFAOYSA-N -1 3 323.314 4.036 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000129742824 1052809787 /nfs/dbraw/zinc/80/97/87/1052809787.db2.gz YUTPYQIDWQAFBB-HOTGVXAUSA-N -1 3 321.351 4.427 20 0 DIADHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000556189863 1052817853 /nfs/dbraw/zinc/81/78/53/1052817853.db2.gz MFXSDUOAHWMYOX-TZMCWYRMSA-N -1 3 315.800 4.064 20 0 DIADHM CCC[C@@H](Oc1[n-]c(=S)ncc1C)c1ccc(OC)cc1 ZINC001225740439 1052824727 /nfs/dbraw/zinc/82/47/27/1052824727.db2.gz GURPPKCZJBYKSW-CQSZACIVSA-N -1 3 304.415 4.003 20 0 DIADHM Cc1cnc(=S)[n-]c1OC1c2ccccc2-c2ccccc21 ZINC001225743272 1052824808 /nfs/dbraw/zinc/82/48/08/1052824808.db2.gz UVVPCPUWQVZSQV-UHFFFAOYSA-N -1 3 306.390 4.223 20 0 DIADHM CC(C)Oc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000498446884 1052837163 /nfs/dbraw/zinc/83/71/63/1052837163.db2.gz WDRAUMXUIAUZKE-UHFFFAOYSA-N -1 3 323.751 4.224 20 0 DIADHM C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1F ZINC001225854535 1052839070 /nfs/dbraw/zinc/83/90/70/1052839070.db2.gz VOWOCTKJDSRECN-SSDOTTSWSA-N -1 3 318.295 4.063 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(F)c3)n[n-]2)o1 ZINC000919328611 1052863497 /nfs/dbraw/zinc/86/34/97/1052863497.db2.gz QKOFLSFTDBVBIZ-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cccc(F)c3)[n-]n2)o1 ZINC000919328611 1052863501 /nfs/dbraw/zinc/86/35/01/1052863501.db2.gz QKOFLSFTDBVBIZ-NSHDSACASA-N -1 3 314.316 4.035 20 0 DIADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC001226071514 1052866228 /nfs/dbraw/zinc/86/62/28/1052866228.db2.gz RIENGYZUPQVGIA-SSDOTTSWSA-N -1 3 317.147 4.077 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1Cl ZINC001226117776 1052869882 /nfs/dbraw/zinc/86/98/82/1052869882.db2.gz VLIVFYWVWXIBOD-SECBINFHSA-N -1 3 306.818 4.436 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(F)c1F ZINC001226119794 1052870408 /nfs/dbraw/zinc/87/04/08/1052870408.db2.gz OGOPOPUVOVAAPI-QMMMGPOBSA-N -1 3 308.353 4.061 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(F)c1F ZINC001226119793 1052870500 /nfs/dbraw/zinc/87/05/00/1052870500.db2.gz OGOPOPUVOVAAPI-MRVPVSSYSA-N -1 3 308.353 4.061 20 0 DIADHM Cc1ccc([C@H](C)Oc2[n-]c(=S)ncc2C2CC2)c(C)c1 ZINC001226120316 1052870525 /nfs/dbraw/zinc/87/05/25/1052870525.db2.gz RXHSLYWQIZLGOI-LBPRGKRZSA-N -1 3 300.427 4.400 20 0 DIADHM C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1csc(Cl)c1 ZINC001226295109 1052884169 /nfs/dbraw/zinc/88/41/69/1052884169.db2.gz CNYJYTHUCZUBAN-ZETCQYMHSA-N -1 3 312.847 4.109 20 0 DIADHM [O-]c1ccc(F)c(CNCc2cccc(Cl)c2Cl)c1F ZINC000556817930 1052886752 /nfs/dbraw/zinc/88/67/52/1052886752.db2.gz INRGAXNEAQTVSI-UHFFFAOYSA-N -1 3 318.150 4.267 20 0 DIADHM CCc1nc(O[C@@H](C)c2cc3ccccc3s2)cc(=O)[n-]1 ZINC001226473421 1052899393 /nfs/dbraw/zinc/89/93/93/1052899393.db2.gz XEVLIJWXBOGJIK-JTQLQIEISA-N -1 3 300.383 4.099 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1O ZINC001226483325 1052901153 /nfs/dbraw/zinc/90/11/53/1052901153.db2.gz VWQNLUMFADGSNN-NORZTCDRSA-N -1 3 306.402 4.140 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)c1O ZINC001226482884 1052901309 /nfs/dbraw/zinc/90/13/09/1052901309.db2.gz ROMCDWBBFILNGJ-BETUJISGSA-N -1 3 306.402 4.284 20 0 DIADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(OC3CCC3)c2o1 ZINC001226492356 1052902584 /nfs/dbraw/zinc/90/25/84/1052902584.db2.gz VUOXEXPZIAZYOP-UHFFFAOYSA-N -1 3 308.333 4.097 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@@H](C)[C@@H](C)C3)cc12 ZINC001226531721 1052907475 /nfs/dbraw/zinc/90/74/75/1052907475.db2.gz FVZJIIAQSMFNRU-NTZNESFSSA-N -1 3 302.370 4.011 20 0 DIADHM CC[C@H]1CC[C@H](Oc2cc3c(C)cc(=O)oc3cc2[O-])CC1 ZINC001226532063 1052907733 /nfs/dbraw/zinc/90/77/33/1052907733.db2.gz NDNJFHVZKJDLKF-JOCQHMNTSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3ccccc3F)cc12 ZINC001226531920 1052907785 /nfs/dbraw/zinc/90/77/85/1052907785.db2.gz JQUPZMHDWCAZKM-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@@H](C)[C@H](C)C3)cc12 ZINC001226531720 1052907816 /nfs/dbraw/zinc/90/78/16/1052907816.db2.gz FVZJIIAQSMFNRU-NQBHXWOUSA-N -1 3 302.370 4.011 20 0 DIADHM CC[C@@H]1CCCC[C@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226535748 1052908185 /nfs/dbraw/zinc/90/81/85/1052908185.db2.gz RFKCTSYAKBCNLY-IUODEOHRSA-N -1 3 302.370 4.155 20 0 DIADHM 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1053218417 /nfs/dbraw/zinc/21/84/17/1053218417.db2.gz LPDVERQEJKGJDN-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM C[C@@H]1CC[C@H](C)[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229098656 1053245800 /nfs/dbraw/zinc/24/58/00/1053245800.db2.gz GMYFEKCDYYQSSS-PTRXPTGYSA-N -1 3 315.207 4.064 20 0 DIADHM C[C@@H]1CC[C@H](C)[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229098658 1053246381 /nfs/dbraw/zinc/24/63/81/1053246381.db2.gz GMYFEKCDYYQSSS-VDDIYKPWSA-N -1 3 315.207 4.064 20 0 DIADHM [O-]c1cc(O)cc(O[C@@H]2CCC=CCCC2)c1Br ZINC001229098203 1053246985 /nfs/dbraw/zinc/24/69/85/1053246985.db2.gz CWQMDHZBNNNMER-LLVKDONJSA-N -1 3 313.191 4.128 20 0 DIADHM C[C@@H]1CC[C@H](Oc2cc(O)cc([O-])c2Br)C[C@@H]1C ZINC001229098943 1053245550 /nfs/dbraw/zinc/24/55/50/1053245550.db2.gz GZKBRVQUPBBZBI-YWVKMMECSA-N -1 3 315.207 4.064 20 0 DIADHM CC[C@H]1CCCC[C@@H]1Oc1cc(O)cc([O-])c1Br ZINC001229100194 1053246026 /nfs/dbraw/zinc/24/60/26/1053246026.db2.gz QSOQSPCOUPUYEQ-CABZTGNLSA-N -1 3 315.207 4.208 20 0 DIADHM CCC[C@H](Oc1cc(O)cc([O-])c1Br)[C@H](C)CC ZINC001229100160 1053246507 /nfs/dbraw/zinc/24/65/07/1053246507.db2.gz QIEXHTYHCJSHHD-SKDRFNHKSA-N -1 3 317.223 4.454 20 0 DIADHM CC/C=C(\C)[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096673 1053247067 /nfs/dbraw/zinc/24/70/67/1053247067.db2.gz HQZLRYBSNHLSSJ-UVMWJGKXSA-N -1 3 315.207 4.374 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Sc2ccccc2)CC1 ZINC001319535942 1053250591 /nfs/dbraw/zinc/25/05/91/1053250591.db2.gz VKHUBOGPNNGDBY-UHFFFAOYSA-N -1 3 319.813 4.309 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1Br)c1ccc(F)cc1 ZINC001229140082 1053256378 /nfs/dbraw/zinc/25/63/78/1053256378.db2.gz SXWZKMVJPSSRNX-SECBINFHSA-N -1 3 311.150 4.434 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3ccccc32)c1Br ZINC001229139677 1053256952 /nfs/dbraw/zinc/25/69/52/1053256952.db2.gz KFYXRFUCOXTUKX-CYBMUJFWSA-N -1 3 305.171 4.221 20 0 DIADHM [O-]c1cccc(O[C@H]2CCOc3ccccc32)c1Br ZINC001229139818 1053257103 /nfs/dbraw/zinc/25/71/03/1053257103.db2.gz MTTMFGUQFMXUSQ-ZDUSSCGKSA-N -1 3 321.170 4.057 20 0 DIADHM CC(C)(C)O[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC001319817265 1053275336 /nfs/dbraw/zinc/27/53/36/1053275336.db2.gz PVFKNQAHUGUIKV-UHFFFAOYSA-N -1 3 304.217 4.162 20 0 DIADHM CCCc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(C)C)cc1 ZINC001352332687 1053308875 /nfs/dbraw/zinc/30/88/75/1053308875.db2.gz XHOBTVPSCDKKHS-CYBMUJFWSA-N -1 3 319.342 4.353 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2Cl)CCC1 ZINC001545835819 1053368538 /nfs/dbraw/zinc/36/85/38/1053368538.db2.gz PPAYDKZPTVHQEM-UHFFFAOYSA-N -1 3 319.763 4.245 20 0 DIADHM COc1cc(/C=C/C(=O)c2cccc(F)c2F)cc(Cl)c1[O-] ZINC000182722821 1053502817 /nfs/dbraw/zinc/50/28/17/1053502817.db2.gz ZLGYWWNEHMKOSE-AATRIKPKSA-N -1 3 324.710 4.229 20 0 DIADHM Fc1cccc(-c2csc([N-]c3ncnc4ncccc34)n2)c1 ZINC000163157326 1053615059 /nfs/dbraw/zinc/61/50/59/1053615059.db2.gz YNJMOXSRHWBUIS-UHFFFAOYSA-N -1 3 323.356 4.031 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(F)cc1Cl ZINC000153500319 1053624018 /nfs/dbraw/zinc/62/40/18/1053624018.db2.gz SQZADZSDIAYUCC-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM C[C@@H]1C[C@H](Oc2ccccc2Oc2ccccc2[O-])CCO1 ZINC001231219839 1053704674 /nfs/dbraw/zinc/70/46/74/1053704674.db2.gz ASQUMUFPEPLMDY-ZIAGYGMSSA-N -1 3 300.354 4.131 20 0 DIADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)cn1 ZINC001435904196 1053718974 /nfs/dbraw/zinc/71/89/74/1053718974.db2.gz HUNLVVGPVUKMIF-MRVPVSSYSA-N -1 3 312.152 4.012 20 0 DIADHM Cc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)c1 ZINC001231455820 1053755559 /nfs/dbraw/zinc/75/55/59/1053755559.db2.gz GBMXSWPVLCWBNX-SFHVURJKSA-N -1 3 313.372 4.169 20 0 DIADHM CC[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC001231461520 1053758762 /nfs/dbraw/zinc/75/87/62/1053758762.db2.gz WUQJZLADFBXVRJ-KRWDZBQOSA-N -1 3 301.361 4.107 20 0 DIADHM CC[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC001231461521 1053758799 /nfs/dbraw/zinc/75/87/99/1053758799.db2.gz WUQJZLADFBXVRJ-QGZVFWFLSA-N -1 3 301.361 4.107 20 0 DIADHM CC(C)Cc1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)cc1 ZINC001300514457 1053765591 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CN(Cc1ccc2ccccc2c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232975754 1054161207 /nfs/dbraw/zinc/16/12/07/1054161207.db2.gz OREUCXMRXWCPDN-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM [O-]c1cc(CN2CCC(c3ccc(F)cc3)CC2)cc(F)c1F ZINC001232971583 1054162451 /nfs/dbraw/zinc/16/24/51/1054162451.db2.gz MUMJEDGTLANLPH-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CCN(Cc1ccc(C)c(C)c1)Cc1cc(Cl)ncc1[O-] ZINC001233037234 1054175491 /nfs/dbraw/zinc/17/54/91/1054175491.db2.gz ADASAYMRSHTYAL-UHFFFAOYSA-N -1 3 304.821 4.080 20 0 DIADHM CCC1(C)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622342909 1054176255 /nfs/dbraw/zinc/17/62/55/1054176255.db2.gz IJLBVZGHSZWFPQ-UHFFFAOYSA-N -1 3 315.335 4.063 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000622358760 1054180556 /nfs/dbraw/zinc/18/05/56/1054180556.db2.gz ZQBBVUDCLCNXBA-QGZVFWFLSA-N -1 3 323.436 4.050 20 0 DIADHM Cc1cc(F)cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000622452670 1054231302 /nfs/dbraw/zinc/23/13/02/1054231302.db2.gz SQCLBMABZPQIQS-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1CCCc1ccccc1 ZINC000622458592 1054233002 /nfs/dbraw/zinc/23/30/02/1054233002.db2.gz RWYGNWOGAXZOQK-GOSISDBHSA-N -1 3 323.436 4.410 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H](c3ccccc3)C2)c1F ZINC001233395695 1054259347 /nfs/dbraw/zinc/25/93/47/1054259347.db2.gz JWLSIKCZZUWSMY-CQSZACIVSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1F ZINC001233396089 1054261646 /nfs/dbraw/zinc/26/16/46/1054261646.db2.gz JJHXCMNESQIDBN-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM COc1ccc(CN2CC[C@@H]2c2ccccc2)c(Cl)c1[O-] ZINC001233400898 1054261820 /nfs/dbraw/zinc/26/18/20/1054261820.db2.gz CWLIQZHJBQRGMC-CQSZACIVSA-N -1 3 303.789 4.001 20 0 DIADHM COc1ccc(CN2Cc3ccc(Cl)cc3C2)c(Cl)c1[O-] ZINC001233401004 1054264247 /nfs/dbraw/zinc/26/42/47/1054264247.db2.gz ILBBDQCYUWOWKV-UHFFFAOYSA-N -1 3 324.207 4.223 20 0 DIADHM CCC(C)(C)c1ccccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001439506750 1054276601 /nfs/dbraw/zinc/27/66/01/1054276601.db2.gz DPLMFVWEDMHLBA-UHFFFAOYSA-N -1 3 324.384 4.005 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c([O-])c1C ZINC000622563169 1054282292 /nfs/dbraw/zinc/28/22/92/1054282292.db2.gz ZEZMXONRTQVSQU-QGZVFWFLSA-N -1 3 309.409 4.409 20 0 DIADHM Cc1cccc2c1CN(C(=O)c1ccc(C(C)C)cc1[O-])CC2 ZINC000622555996 1054289280 /nfs/dbraw/zinc/28/92/80/1054289280.db2.gz OJUXTTVYUVOUFE-UHFFFAOYSA-N -1 3 309.409 4.023 20 0 DIADHM COc1ccccc1OC[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592219 1054302402 /nfs/dbraw/zinc/30/24/02/1054302402.db2.gz KLRLPBDTSLTEDL-LBPRGKRZSA-N -1 3 322.788 4.209 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC1CC(OCc2ccccc2)C1 ZINC001233593772 1054305695 /nfs/dbraw/zinc/30/56/95/1054305695.db2.gz ZULWIDXYATZTDE-UHFFFAOYSA-N -1 3 318.800 4.481 20 0 DIADHM COc1ccc([C@@H](Oc2ccc3occ([O-])c3c2)C(C)C)cc1 ZINC001233679148 1054329797 /nfs/dbraw/zinc/32/97/97/1054329797.db2.gz ZPLKTLWZIWYPFZ-IBGZPJMESA-N -1 3 312.365 4.046 20 0 DIADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1c(Cl)cncc1Cl ZINC001233680378 1054330226 /nfs/dbraw/zinc/33/02/26/1054330226.db2.gz IWIBNOWNUCMYEA-MRVPVSSYSA-N -1 3 324.163 4.104 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001440437332 1054351342 /nfs/dbraw/zinc/35/13/42/1054351342.db2.gz YRESBGRRZQLRER-GOEBONIOSA-N -1 3 301.430 4.168 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC001440560223 1054358035 /nfs/dbraw/zinc/35/80/35/1054358035.db2.gz VHSIQPPPYRMMOH-UHFFFAOYSA-N -1 3 321.829 4.040 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001440701778 1054364971 /nfs/dbraw/zinc/36/49/71/1054364971.db2.gz AKHFHCMWFRVEIA-OWCLPIDISA-N -1 3 301.430 4.043 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2csc(C(C)C)n2)s1 ZINC000171420858 1054365240 /nfs/dbraw/zinc/36/52/40/1054365240.db2.gz RIAQEXFSNAICNS-UHFFFAOYSA-N -1 3 324.475 4.274 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC1CCC(c2ccccc2)CC1 ZINC001440910522 1054375702 /nfs/dbraw/zinc/37/57/02/1054375702.db2.gz 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C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@@H]1C ZINC001445430412 1054506439 /nfs/dbraw/zinc/50/64/39/1054506439.db2.gz NBYHHVGKNMXTDW-HZPDHXFCSA-N -1 3 323.436 4.048 20 0 DIADHM Cc1ccc(OC[C@@H](C)Oc2c([O-])cc(Cl)cc2F)cc1 ZINC001234443282 1054523405 /nfs/dbraw/zinc/52/34/05/1054523405.db2.gz FOVYQCAYJUIVLG-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM [O-]c1cccc2[nH]c(O[C@@H]3Cc4cccc5cccc3c45)nc21 ZINC001234448750 1054525980 /nfs/dbraw/zinc/52/59/80/1054525980.db2.gz YICRRJOMKSIYOB-MRXNPFEDSA-N -1 3 302.333 4.098 20 0 DIADHM COc1cccc2c1[C@@H](Oc1c([O-])cc(Cl)cc1F)CCO2 ZINC001234448544 1054526256 /nfs/dbraw/zinc/52/62/56/1054526256.db2.gz UNYKQAGIFFOUCD-AWEZNQCLSA-N -1 3 324.735 4.096 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1C(F)(F)F ZINC001447290119 1054560992 /nfs/dbraw/zinc/56/09/92/1054560992.db2.gz WGGCOTNVXVJQGW-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CCC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC001447398625 1054563817 /nfs/dbraw/zinc/56/38/17/1054563817.db2.gz DMXDQCIFCSDHQS-UHFFFAOYSA-N -1 3 321.436 4.331 20 0 DIADHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000373 1054574308 /nfs/dbraw/zinc/57/43/08/1054574308.db2.gz LXQCBIWGAFBOPT-OAHLLOKOSA-N -1 3 319.788 4.150 20 0 DIADHM CC(C)(CC(=O)Nc1cc(Cl)ccc1[O-])CC(F)(F)F ZINC001546000731 1054578026 /nfs/dbraw/zinc/57/80/26/1054578026.db2.gz ZKDFLHPGABXAIO-UHFFFAOYSA-N -1 3 309.715 4.353 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c1 ZINC001448066140 1054585908 /nfs/dbraw/zinc/58/59/08/1054585908.db2.gz HRKNAWZWGWOVHM-HNNXBMFYSA-N -1 3 315.457 4.387 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2ccccc2C)c1C(C)=O ZINC001234790411 1054589820 /nfs/dbraw/zinc/58/98/20/1054589820.db2.gz HCRONJOEYXLMHY-AWEZNQCLSA-N -1 3 314.381 4.360 20 0 DIADHM O=C(Cc1csc2ccc(Cl)cc12)[N-]OC1CCCCC1 ZINC001448112404 1054589967 /nfs/dbraw/zinc/58/99/67/1054589967.db2.gz PORCEJZFJXKACV-UHFFFAOYSA-N -1 3 323.845 4.478 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2ccccc2C)c1C(C)=O ZINC001234790413 1054590231 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CCc1cccc(C(=O)Nc2cccc(O[C@H](C)CC)c2)c1[O-] ZINC001450254773 1054644093 /nfs/dbraw/zinc/64/40/93/1054644093.db2.gz KPPUQBHQOSHZNF-CYBMUJFWSA-N -1 3 313.397 4.384 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c([O-])c1 ZINC001450450025 1054649559 /nfs/dbraw/zinc/64/95/59/1054649559.db2.gz DJJQLSPWYVXXCM-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299248598 1054708082 /nfs/dbraw/zinc/70/80/82/1054708082.db2.gz KGMKHKAGNNRZSA-HOTGVXAUSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1ccc(C(=O)NC2(c3ccccc3Cl)CCC2)c([O-])c1 ZINC001452771542 1054716356 /nfs/dbraw/zinc/71/63/56/1054716356.db2.gz VBLCRFOOPNCXLG-UHFFFAOYSA-N -1 3 315.800 4.163 20 0 DIADHM O=C(NCc1ccc2occc2c1)c1cc2sccc2c([O-])c1 ZINC001452999372 1054723532 /nfs/dbraw/zinc/72/35/32/1054723532.db2.gz ZMNTZTGFSCXVHX-UHFFFAOYSA-N -1 3 323.373 4.283 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1scnc1C1CC1 ZINC000180364060 1054752813 /nfs/dbraw/zinc/75/28/13/1054752813.db2.gz ABAQCHYJENVKPN-UHFFFAOYSA-N -1 3 314.744 4.204 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc(F)c(F)c(F)c1 ZINC000180367614 1054752865 /nfs/dbraw/zinc/75/28/65/1054752865.db2.gz RYOOEMOLUGVSDM-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM CC(C)(C)c1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC000617311161 1054774671 /nfs/dbraw/zinc/77/46/71/1054774671.db2.gz INYWESIBXMUIBL-UHFFFAOYSA-N -1 3 323.468 4.364 20 0 DIADHM CCc1cccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c1[O-] ZINC001454736075 1054783150 /nfs/dbraw/zinc/78/31/50/1054783150.db2.gz VBFKXUFQUUAWLD-AWEZNQCLSA-N -1 3 309.409 4.400 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C2CC2)cs1 ZINC001349951805 1054827040 /nfs/dbraw/zinc/82/70/40/1054827040.db2.gz RKYYCVSEHYLYDM-UHFFFAOYSA-N -1 3 320.439 4.003 20 0 DIADHM CCOc1ccc2ncnc(-c3cc([O-])cc(Cl)c3)c2c1 ZINC001235898322 1054836438 /nfs/dbraw/zinc/83/64/38/1054836438.db2.gz FZPNGBBPTIKWOK-UHFFFAOYSA-N -1 3 300.745 4.055 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc(-c3nc(C4CC4)no3)ccn2)c1 ZINC001235899679 1054837400 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ZINC001235932957 1054856392 /nfs/dbraw/zinc/85/63/92/1054856392.db2.gz YEUSMGYKFMEPJH-UHFFFAOYSA-N -1 3 308.385 4.019 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(OC(C)(C)C)cc1 ZINC001235932957 1054856401 /nfs/dbraw/zinc/85/64/01/1054856401.db2.gz YEUSMGYKFMEPJH-UHFFFAOYSA-N -1 3 308.385 4.019 20 0 DIADHM CC(C)(/C=C\Cl)[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001535353746 1054907180 /nfs/dbraw/zinc/90/71/80/1054907180.db2.gz XTUWERQJZIZZNJ-FPLPWBNLSA-N -1 3 308.155 4.079 20 0 DIADHM O=C([O-])c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)cc1 ZINC001236064350 1054921411 /nfs/dbraw/zinc/92/14/11/1054921411.db2.gz PIJORGQHOIAMEN-UHFFFAOYSA-N -1 3 313.372 4.177 20 0 DIADHM OCc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001236071678 1054926021 /nfs/dbraw/zinc/92/60/21/1054926021.db2.gz DJJYOCRBQFCOMV-UHFFFAOYSA-N -1 3 323.339 4.160 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(C)cc(OC(C)C)cc1C ZINC001236087676 1054935059 /nfs/dbraw/zinc/93/50/59/1054935059.db2.gz AVOUCTPEBWBCGH-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(C)cc(OC(C)C)cc1C ZINC001236087676 1054935074 /nfs/dbraw/zinc/93/50/74/1054935074.db2.gz AVOUCTPEBWBCGH-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM Cc1c(C(=O)[O-])ccc(-c2ccc3c(N)ccnc3c2)c1Cl ZINC001236128807 1054962554 /nfs/dbraw/zinc/96/25/54/1054962554.db2.gz OZIOTIUHAGYFHQ-UHFFFAOYSA-N -1 3 312.756 4.144 20 0 DIADHM O=C(Oc1c(F)cccc1Cl)c1cccc(Cl)c1[O-] ZINC001535926075 1055032239 /nfs/dbraw/zinc/03/22/39/1055032239.db2.gz MKRYSMFUYXYCBZ-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM CC(C)c1cccc(-c2ccc(C(=O)[N-]c3nncs3)o2)c1 ZINC000182968328 1055020294 /nfs/dbraw/zinc/02/02/94/1055020294.db2.gz PYNFXBQVTGDQRR-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM CCCC1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236685865 1055230256 /nfs/dbraw/zinc/23/02/56/1055230256.db2.gz PKSIRQYFBDFWOM-UHFFFAOYSA-N -1 3 312.251 4.167 20 0 DIADHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001587245841 1055250818 /nfs/dbraw/zinc/25/08/18/1055250818.db2.gz ACROMVVYLZEJJX-WFASDCNBSA-N -1 3 307.459 4.155 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC001587607382 1055334872 /nfs/dbraw/zinc/33/48/72/1055334872.db2.gz JONVMDLIMWHVTK-UHFFFAOYSA-N -1 3 321.420 4.427 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c([O-])c1 ZINC001587789098 1055366524 /nfs/dbraw/zinc/36/65/24/1055366524.db2.gz PKJDMKUMPGESQZ-GOEBONIOSA-N -1 3 315.457 4.414 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)c2ccccc2)c1 ZINC001589125087 1055481027 /nfs/dbraw/zinc/48/10/27/1055481027.db2.gz DUODGGAEWZTQJR-FQEVSTJZSA-N -1 3 309.409 4.106 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000022120041 1055491690 /nfs/dbraw/zinc/49/16/90/1055491690.db2.gz JWGOAZCQUCTUIO-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CCc1ccc(CN(C)Cc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001237994208 1055576733 /nfs/dbraw/zinc/57/67/33/1055576733.db2.gz CWVMAYLWNHOVTC-UHFFFAOYSA-N -1 3 307.796 4.379 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001595539460 1055607970 /nfs/dbraw/zinc/60/79/70/1055607970.db2.gz MLVIUWKNBSHNOD-LIRRHRJNSA-N -1 3 309.409 4.178 20 0 DIADHM CCN(Cc1cccc(Cl)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238242975 1055629885 /nfs/dbraw/zinc/62/98/85/1055629885.db2.gz SHVAQOVTAHVXFM-UHFFFAOYSA-N -1 3 321.779 4.199 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1cc2cccc(Cl)c2s1 ZINC001595929162 1055649109 /nfs/dbraw/zinc/64/91/09/1055649109.db2.gz DNFDHDWZZMHFAY-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM CCc1cccc(C(=O)N(c2ccc(C)cc2)C2CCC2)c1[O-] ZINC001596065765 1055665634 /nfs/dbraw/zinc/66/56/34/1055665634.db2.gz FCWWHJGQXYYBLR-UHFFFAOYSA-N -1 3 309.409 4.462 20 0 DIADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472145919 1055689886 /nfs/dbraw/zinc/68/98/86/1055689886.db2.gz OGERBOVLGDXSNI-DDUZABMNSA-N -1 3 309.409 4.339 20 0 DIADHM Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000105433625 1055725261 /nfs/dbraw/zinc/72/52/61/1055725261.db2.gz QVNCZNXGFHUTMB-UHFFFAOYSA-N -1 3 303.789 4.234 20 0 DIADHM CCc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1[O-] ZINC001596605287 1055727804 /nfs/dbraw/zinc/72/78/04/1055727804.db2.gz PUBOJZYHHJKXDK-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC(C)c1ccc(C(=O)NC2(c3ccccc3F)CC2)c([O-])c1 ZINC001565806761 1055731779 /nfs/dbraw/zinc/73/17/79/1055731779.db2.gz OEQNLJYZNAUKNS-UHFFFAOYSA-N -1 3 313.372 4.074 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c1 ZINC001565915701 1055735284 /nfs/dbraw/zinc/73/52/84/1055735284.db2.gz FQOASVRPVGGJGJ-UHFFFAOYSA-N -1 3 323.436 4.376 20 0 DIADHM Cc1ccc(C(=O)N2CCCCCc3ccccc32)c([O-])c1C ZINC001565891628 1055735687 /nfs/dbraw/zinc/73/56/87/1055735687.db2.gz HQACCBNYDBVWDM-UHFFFAOYSA-N -1 3 309.409 4.382 20 0 DIADHM CCSCc1cccc(NC(=O)c2c(C)cccc2[O-])c1 ZINC001565915855 1055736570 /nfs/dbraw/zinc/73/65/70/1055736570.db2.gz KYEGQBFOGYVOIB-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c([O-])c1 ZINC001565933020 1055736853 /nfs/dbraw/zinc/73/68/53/1055736853.db2.gz SQRCKGXNRBVVHB-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)Cc2cccs2)c([O-])c1 ZINC001566230104 1055753710 /nfs/dbraw/zinc/75/37/10/1055753710.db2.gz OWDPQMSIPIAHAC-CYBMUJFWSA-N -1 3 317.454 4.280 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)Cc2cccs2)c([O-])c1 ZINC001566230105 1055753847 /nfs/dbraw/zinc/75/38/47/1055753847.db2.gz OWDPQMSIPIAHAC-ZDUSSCGKSA-N -1 3 317.454 4.280 20 0 DIADHM CCN(Cc1cccs1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000351797997 1055754295 /nfs/dbraw/zinc/75/42/95/1055754295.db2.gz JANOEJISOLWNAQ-UHFFFAOYSA-N -1 3 311.406 4.269 20 0 DIADHM CC(C)(C)Oc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001596973427 1055768274 /nfs/dbraw/zinc/76/82/74/1055768274.db2.gz CNGYKFCFCQHUIA-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM CSCCCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001596967480 1055768681 /nfs/dbraw/zinc/76/86/81/1055768681.db2.gz LTUGBSQBCFLVRT-UHFFFAOYSA-N -1 3 301.839 4.298 20 0 DIADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CCC(C)C)c([O-])c1 ZINC001566396760 1055768786 /nfs/dbraw/zinc/76/87/86/1055768786.db2.gz ZHBNNTJEECELJY-MRXNPFEDSA-N -1 3 303.446 4.386 20 0 DIADHM CCC1(CC)CN(C(=O)c2cccc(C)c2[O-])c2ccccc21 ZINC001597008422 1055774464 /nfs/dbraw/zinc/77/44/64/1055774464.db2.gz RKZJWBJSRRQXKQ-UHFFFAOYSA-N -1 3 309.409 4.419 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c1[O-] ZINC001566883716 1055785779 /nfs/dbraw/zinc/78/57/79/1055785779.db2.gz UHQFXQFFDLPVDA-FZKQIMNGSA-N -1 3 309.409 4.008 20 0 DIADHM CCc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001567231833 1055795688 /nfs/dbraw/zinc/79/56/88/1055795688.db2.gz HIULXJFHIBTZLG-UHFFFAOYSA-N -1 3 303.789 4.179 20 0 DIADHM CC(C)(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001567682518 1055812943 /nfs/dbraw/zinc/81/29/43/1055812943.db2.gz FKGDWUCAMITGIO-GJZGRUSLSA-N -1 3 321.436 4.185 20 0 DIADHM Cc1cccc(-c2cccc(C(=O)Nc3nc(C)ccc3[O-])c2)c1 ZINC001568295759 1055833447 /nfs/dbraw/zinc/83/34/47/1055833447.db2.gz CRUYWMXJXBDAHY-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001568348714 1055835385 /nfs/dbraw/zinc/83/53/85/1055835385.db2.gz ZJWBLCLHJZWKSI-NVXWUHKLSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001568348715 1055835989 /nfs/dbraw/zinc/83/59/89/1055835989.db2.gz ZJWBLCLHJZWKSI-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001597581019 1055847460 /nfs/dbraw/zinc/84/74/60/1055847460.db2.gz BSNLNZNYLKSYEH-UHFFFAOYSA-N -1 3 303.361 4.205 20 0 DIADHM Cc1cccc2cc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)sc21 ZINC001569459213 1055862721 /nfs/dbraw/zinc/86/27/21/1055862721.db2.gz VMVMXKPQNRHEIV-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001569750102 1055871109 /nfs/dbraw/zinc/87/11/09/1055871109.db2.gz NBQOLHYVRNQAFP-HNNXBMFYSA-N -1 3 303.446 4.371 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC001569749994 1055872009 /nfs/dbraw/zinc/87/20/09/1055872009.db2.gz KDENHKLROCJSBM-CQSZACIVSA-N -1 3 309.475 4.335 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2coc3cc(C)c(C)cc23)c1[O-] ZINC001569927653 1055878660 /nfs/dbraw/zinc/87/86/60/1055878660.db2.gz GGZFPNJTRXRHEL-UHFFFAOYSA-N -1 3 323.348 4.210 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(CC(C)C)s2)c1[O-] ZINC001569928248 1055878845 /nfs/dbraw/zinc/87/88/45/1055878845.db2.gz NYGNAOVRXSPBFX-UHFFFAOYSA-N -1 3 317.410 4.107 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1 ZINC001569936447 1055878949 /nfs/dbraw/zinc/87/89/49/1055878949.db2.gz QBRXTNSUJJIGGG-OLZOCXBDSA-N -1 3 321.486 4.401 20 0 DIADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001570158439 1055889265 /nfs/dbraw/zinc/88/92/65/1055889265.db2.gz BGLVZWNSLJQYOR-CTNGQTDRSA-N -1 3 323.436 4.147 20 0 DIADHM CC(C)(C)C[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001570392710 1055901346 /nfs/dbraw/zinc/90/13/46/1055901346.db2.gz PATNNRQIAMNUMC-CQSZACIVSA-N -1 3 311.425 4.444 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001570575474 1055909738 /nfs/dbraw/zinc/90/97/38/1055909738.db2.gz CHLJCQRCYVWZFM-PKOBYXMFSA-N -1 3 323.436 4.499 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC001598078009 1055911396 /nfs/dbraw/zinc/91/13/96/1055911396.db2.gz UPZWRPVDXWBWJR-YJTLQXIOSA-N -1 3 323.477 4.194 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC001598077995 1055912236 /nfs/dbraw/zinc/91/22/36/1055912236.db2.gz UPZWRPVDXWBWJR-BWRBCVJASA-N -1 3 323.477 4.194 20 0 DIADHM c1ccc(-c2ccccc2-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001239506715 1055917706 /nfs/dbraw/zinc/91/77/06/1055917706.db2.gz JPWICFIWJZOABY-UHFFFAOYSA-N -1 3 312.376 4.125 20 0 DIADHM c1ccc(-c2ccccc2-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001239506715 1055917717 /nfs/dbraw/zinc/91/77/17/1055917717.db2.gz JPWICFIWJZOABY-UHFFFAOYSA-N -1 3 312.376 4.125 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1csc(Cl)n1 ZINC000692712340 1055922075 /nfs/dbraw/zinc/92/20/75/1055922075.db2.gz ZBTHQULDSOLTSK-UHFFFAOYSA-N -1 3 320.773 4.364 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c(F)cc1Cl ZINC000109091728 1055929750 /nfs/dbraw/zinc/92/97/50/1055929750.db2.gz MPSXCYYVTMOOBT-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC001598261457 1055932439 /nfs/dbraw/zinc/93/24/39/1055932439.db2.gz HOZQLPQXNLDYLB-OAHLLOKOSA-N -1 3 311.425 4.187 20 0 DIADHM O=C(NC(C1CC1)C1CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001540010904 1055953386 /nfs/dbraw/zinc/95/33/86/1055953386.db2.gz WWYLFZKZBKMVGX-UHFFFAOYSA-N -1 3 323.392 4.103 20 0 DIADHM C/C(=C\c1ccccc1)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001621025861 1055990684 /nfs/dbraw/zinc/99/06/84/1055990684.db2.gz KIBJQSAXRZBPIU-FYWRMAATSA-N -1 3 305.381 4.093 20 0 DIADHM CC(C)(F)c1cc([N-]C(=O)c2ccc(-c3cccs3)o2)no1 ZINC001540314353 1056014693 /nfs/dbraw/zinc/01/46/93/1056014693.db2.gz RZMDTEWBIPPKAG-UHFFFAOYSA-N -1 3 320.345 4.453 20 0 DIADHM COc1cc([C@H](C)NC(=O)c2ccccc2[O-])cc2ccccc21 ZINC001603217472 1056021496 /nfs/dbraw/zinc/02/14/96/1056021496.db2.gz 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/nfs/dbraw/zinc/00/18/52/1057001852.db2.gz KTELWASIMXFWMP-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cc1c2ccccc2oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693365 1057010463 /nfs/dbraw/zinc/01/04/63/1057010463.db2.gz ISDAWODZEAWVCY-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM O=C(c1ccccc1[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000013831422 1057011310 /nfs/dbraw/zinc/01/13/10/1057011310.db2.gz OXKLYFGUBYWBQI-UHFFFAOYSA-N -1 3 317.388 4.235 20 0 DIADHM COc1c(F)ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1Cl ZINC001241521595 1057085012 /nfs/dbraw/zinc/08/50/12/1057085012.db2.gz SKJPDHATWUKBIW-UHFFFAOYSA-N -1 3 307.777 4.450 20 0 DIADHM CCN(CC)Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC001241837451 1057183987 /nfs/dbraw/zinc/18/39/87/1057183987.db2.gz VKLHEMCCKTXQOU-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C(F)(F)F)c(F)c1 ZINC001241923048 1057212646 /nfs/dbraw/zinc/21/26/46/1057212646.db2.gz WGEBEEDXBOZMBQ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C(F)(F)F)c(F)c1 ZINC001241923048 1057212650 /nfs/dbraw/zinc/21/26/50/1057212650.db2.gz WGEBEEDXBOZMBQ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM CCOc1ccc2ccccc2c1-c1ccccc1-c1nnn[n-]1 ZINC001241926365 1057214304 /nfs/dbraw/zinc/21/43/04/1057214304.db2.gz XBXRWEBNKCSFAT-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM CCOc1ccc2ccccc2c1-c1ccccc1-c1nn[n-]n1 ZINC001241926365 1057214307 /nfs/dbraw/zinc/21/43/07/1057214307.db2.gz XBXRWEBNKCSFAT-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM [O-]c1ccc(C(F)(F)F)cc1-c1ccc(-n2cccc2)cn1 ZINC001242133003 1057274792 /nfs/dbraw/zinc/27/47/92/1057274792.db2.gz AMYIEVBOWYJDKC-UHFFFAOYSA-N -1 3 304.271 4.264 20 0 DIADHM O=C1CCCN1c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242157483 1057283105 /nfs/dbraw/zinc/28/31/05/1057283105.db2.gz HDJDHJFIWAMEAV-UHFFFAOYSA-N -1 3 321.298 4.205 20 0 DIADHM [O-]c1ccc(-c2ccnc(C(F)(F)F)c2)cc1C(F)(F)F ZINC001242158154 1057283353 /nfs/dbraw/zinc/28/33/53/1057283353.db2.gz RRTWYOGDGLLPOH-UHFFFAOYSA-N 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CCOC(=O)c1cc2cc(-c3ccc(F)cc3[O-])ccc2o1 ZINC001242218249 1057297141 /nfs/dbraw/zinc/29/71/41/1057297141.db2.gz YVPOBOOCRNFVNE-UHFFFAOYSA-N -1 3 300.285 4.121 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc(OCc2ccccc2F)nc1 ZINC001242219820 1057297807 /nfs/dbraw/zinc/29/78/07/1057297807.db2.gz SFFIWAGVNIBMFD-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccnc(OCc2ccccc2F)c1 ZINC001242219493 1057298206 /nfs/dbraw/zinc/29/82/06/1057298206.db2.gz HUPWEQSVRYPLGB-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(F)ccc1-c1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001242221269 1057299092 /nfs/dbraw/zinc/29/90/92/1057299092.db2.gz VGTFXVYMLWPVBG-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM CCN(CC)Cc1ccc(-c2cccc(C(=O)[O-])c2F)cc1F ZINC001242382245 1057355328 /nfs/dbraw/zinc/35/53/28/1057355328.db2.gz RQURSYZHHVRISV-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM Cc1c(Cl)c(Cl)ccc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242517241 1057392021 /nfs/dbraw/zinc/39/20/21/1057392021.db2.gz XDXGOUPCFJGLKK-UHFFFAOYSA-N -1 3 319.195 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CSc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1F ZINC001243358187 1057657759 /nfs/dbraw/zinc/65/77/59/1057657759.db2.gz KRDMBOOJXFWLCO-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM COc1c(C)ccc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000526908844 1057659031 /nfs/dbraw/zinc/65/90/31/1057659031.db2.gz DKMCVUSKZDEPKR-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM O=C(NC1(Cc2ccccc2)CC1)c1cc([O-])c2ccccc2c1 ZINC000527168076 1057660833 /nfs/dbraw/zinc/66/08/33/1057660833.db2.gz OOTASJDWCCICQE-UHFFFAOYSA-N -1 3 317.388 4.051 20 0 DIADHM O=C(NCc1ccccc1)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546180 1057709285 /nfs/dbraw/zinc/70/92/85/1057709285.db2.gz VWLUXIARTQHRNU-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM C[C@H]1CCc2c(sc3ncnc(-c4cccc([O-])c4F)c23)C1 ZINC001243543725 1057709357 /nfs/dbraw/zinc/70/93/57/1057709357.db2.gz PAQQBGALQOQRES-VIFPVBQESA-N -1 3 314.385 4.328 20 0 DIADHM [O-]c1cccc(-c2nc(C(F)F)nc3ccc(F)cc32)c1F ZINC001243546120 1057709652 /nfs/dbraw/zinc/70/96/52/1057709652.db2.gz 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/nfs/dbraw/zinc/71/03/25/1057710325.db2.gz VRWYZUZCARPAPI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cc(F)cc2nccnc21 ZINC001243610858 1057732928 /nfs/dbraw/zinc/73/29/28/1057732928.db2.gz AAOLULISFRKCGT-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM O=c1[n-]c(Oc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000731905399 1057758650 /nfs/dbraw/zinc/75/86/50/1057758650.db2.gz DTUMTOWJNJRPMJ-UHFFFAOYSA-N -1 3 306.243 4.147 20 0 DIADHM CCOC(=O)c1ccc(-c2c([O-])cccc2Cl)c(OCC)c1 ZINC001244032974 1057844485 /nfs/dbraw/zinc/84/44/85/1057844485.db2.gz GZPPNZQRAFXOLW-UHFFFAOYSA-N -1 3 320.772 4.288 20 0 DIADHM CCOC(=O)/C=C/c1ccc(-c2c([O-])cccc2Cl)c(F)c1 ZINC001244044522 1057847603 /nfs/dbraw/zinc/84/76/03/1057847603.db2.gz MAFHHSZHTPAGMT-VQHVLOKHSA-N -1 3 320.747 4.428 20 0 DIADHM CC1(C)CC(=O)Nc2c(-c3c([O-])cccc3Cl)cccc21 ZINC001244048248 1057849141 /nfs/dbraw/zinc/84/91/41/1057849141.db2.gz XITSFHZCAIRPBE-UHFFFAOYSA-N -1 3 301.773 4.332 20 0 DIADHM Fc1cccc(C2CC2)c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244120710 1057876275 /nfs/dbraw/zinc/87/62/75/1057876275.db2.gz MPRVAASUQJGRTN-UHFFFAOYSA-N -1 3 314.307 4.468 20 0 DIADHM CSc1cc(-c2ccc(=S)[n-]n2)cc(C(F)(F)F)c1 ZINC001244508134 1057980096 /nfs/dbraw/zinc/98/00/96/1057980096.db2.gz XVGBWQGKQVSDQR-UHFFFAOYSA-N -1 3 302.346 4.173 20 0 DIADHM Cc1nc2ccccc2c(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244455745 1057963066 /nfs/dbraw/zinc/96/30/66/1057963066.db2.gz KUGKYGNHMQESGU-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM CC(C)Oc1cccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244456117 1057963321 /nfs/dbraw/zinc/96/33/21/1057963321.db2.gz BMNKLPBNTVANMF-UHFFFAOYSA-N -1 3 313.275 4.140 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc(C(F)(F)F)ccn1 ZINC001244457536 1057963563 /nfs/dbraw/zinc/96/35/63/1057963563.db2.gz ZWZMLQIQIRTWQI-UHFFFAOYSA-N -1 3 323.192 4.372 20 0 DIADHM CC(C)Oc1ccnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244457490 1057963833 /nfs/dbraw/zinc/96/38/33/1057963833.db2.gz MKRSYBHZWSUOCR-UHFFFAOYSA-N -1 3 313.275 4.140 20 0 DIADHM Cc1cc2nc(-c3cc(OC(F)(F)F)ccc3[O-])ccc2[nH]1 ZINC001244458068 1057963934 /nfs/dbraw/zinc/96/39/34/1057963934.db2.gz ZAPVTRCTMYZFOC-UHFFFAOYSA-N -1 3 308.259 4.143 20 0 DIADHM COC(=O)c1cc2c(cncc2-c2ccc(Cl)cc2[O-])s1 ZINC001244469871 1057967994 /nfs/dbraw/zinc/96/79/94/1057967994.db2.gz RQYBLXBFSTYWCJ-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM CC(C)(C)OC(=O)c1cncc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469277 1057968327 /nfs/dbraw/zinc/96/83/27/1057968327.db2.gz FPCUYBBVBNNYOY-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1cnc(OCc2ccccc2)nc1 ZINC001244471798 1057968789 /nfs/dbraw/zinc/96/87/89/1057968789.db2.gz JEBUADYCDGDZQF-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM Cc1cc(N2CCCCC2)ncc1-c1ccc(Cl)cc1[O-] ZINC001244470062 1057968836 /nfs/dbraw/zinc/96/88/36/1057968836.db2.gz XXIWEUZVMUIESS-UHFFFAOYSA-N -1 3 302.805 4.406 20 0 DIADHM COC(=O)c1ccc2c(cccc2-c2ccc(Cl)cc2[O-])n1 ZINC001244470295 1057968868 /nfs/dbraw/zinc/96/88/68/1057968868.db2.gz 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/nfs/dbraw/zinc/98/37/07/1057983707.db2.gz DDXUMUMHUSRWIF-UHFFFAOYSA-N -1 3 301.361 4.035 20 0 DIADHM CCOC(=O)c1ccc(-c2cc(C)c(F)c([O-])c2)c(OCC)c1 ZINC001244519012 1057983773 /nfs/dbraw/zinc/98/37/73/1057983773.db2.gz VPQWUXMWHAZKPD-UHFFFAOYSA-N -1 3 318.344 4.082 20 0 DIADHM Cc1cc(-c2ccc(OCC(F)(F)F)nc2)cc(Cl)c1[O-] ZINC001244550409 1057993374 /nfs/dbraw/zinc/99/33/74/1057993374.db2.gz FHJPEVMNDWCXKL-UHFFFAOYSA-N -1 3 317.694 4.357 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)c(OC)cc1C ZINC001244550628 1057993430 /nfs/dbraw/zinc/99/34/30/1057993430.db2.gz HAPAEZQTTJKRRI-UHFFFAOYSA-N -1 3 320.772 4.125 20 0 DIADHM Cc1cc(-c2cc3c(cc2F)NC(=O)C3(C)C)cc(Cl)c1[O-] ZINC001244550396 1057993512 /nfs/dbraw/zinc/99/35/12/1057993512.db2.gz DPXITXOLGKBWNW-UHFFFAOYSA-N -1 3 319.763 4.390 20 0 DIADHM CCOC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)ccc1F ZINC001244550655 1057993581 /nfs/dbraw/zinc/99/35/81/1057993581.db2.gz HKTOECHVTSBRAJ-UHFFFAOYSA-N -1 3 308.736 4.337 20 0 DIADHM Cc1cc(-c2cncc(OC(F)(F)F)c2)cc(Cl)c1[O-] ZINC001244550762 1057993739 /nfs/dbraw/zinc/99/37/39/1057993739.db2.gz LEQMVHQPTMHYSI-UHFFFAOYSA-N -1 3 303.667 4.315 20 0 DIADHM COC(=O)/C=C/c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244553849 1057994545 /nfs/dbraw/zinc/99/45/45/1057994545.db2.gz KFRSHFVDQLUSII-VMPITWQZSA-N -1 3 302.757 4.207 20 0 DIADHM Cc1cc(-c2cc(F)c(CN(C)C)c(F)c2)cc(Cl)c1[O-] ZINC001244556655 1057995159 /nfs/dbraw/zinc/99/51/59/1057995159.db2.gz YLWRMGSHJAFLLV-UHFFFAOYSA-N -1 3 311.759 4.361 20 0 DIADHM OCc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1C(F)(F)F ZINC001244588283 1058003395 /nfs/dbraw/zinc/00/33/95/1058003395.db2.gz FEPLGWIWDBICKZ-UHFFFAOYSA-N -1 3 323.339 4.160 20 0 DIADHM CC(=O)c1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001244625072 1058012788 /nfs/dbraw/zinc/01/27/88/1058012788.db2.gz OCOHJJQVRGNHJX-UHFFFAOYSA-N -1 3 303.333 4.130 20 0 DIADHM CC(C)(C)C(=O)Nc1cccc(Cl)c1-c1ccc(=S)[n-]n1 ZINC001244726221 1058036118 /nfs/dbraw/zinc/03/61/18/1058036118.db2.gz RJBRNNBMAZHRDH-UHFFFAOYSA-N -1 3 321.833 4.070 20 0 DIADHM OCc1cc(Cl)c(-c2ccc3c(c2)[N-]C(=S)C3)c(Cl)c1 ZINC001245011588 1058092479 /nfs/dbraw/zinc/09/24/79/1058092479.db2.gz WQCDKSVYKFZSAA-UHFFFAOYSA-N -1 3 324.232 4.448 20 0 DIADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1cccc(F)c1 ZINC001245052129 1058103556 /nfs/dbraw/zinc/10/35/56/1058103556.db2.gz BNODWDAKYHSERX-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM COc1cc(C(F)(F)F)c(-c2cc(Cl)ccc2[O-])cn1 ZINC001245056082 1058103717 /nfs/dbraw/zinc/10/37/17/1058103717.db2.gz ANXKSVRFRBAMTM-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM Cc1cc(-c2cc(Cl)ccc2[O-])cnc1C(=O)OC(C)(C)C ZINC001245055515 1058103793 /nfs/dbraw/zinc/10/37/93/1058103793.db2.gz QIJJXKCCHIYCHB-UHFFFAOYSA-N -1 3 319.788 4.371 20 0 DIADHM COC(=O)c1nc2cccc(-c3cc(Cl)ccc3[O-])c2s1 ZINC001245058082 1058104305 /nfs/dbraw/zinc/10/43/05/1058104305.db2.gz RJEIGJGJNNNIKJ-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM [O-]c1ccc(-c2cc(Oc3cccc(F)c3)ncn2)c(Cl)c1 ZINC001245077534 1058106971 /nfs/dbraw/zinc/10/69/71/1058106971.db2.gz BCZRPGOSEIYWSH-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM [O-]c1ccc(-c2nccc(Oc3ccc(F)cc3)n2)c(Cl)c1 ZINC001245078438 1058107712 /nfs/dbraw/zinc/10/77/12/1058107712.db2.gz JMAWBOKZAMAHPX-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM Cc1csc(-c2cc(C)nnc2-c2ccc([O-])cc2Cl)n1 ZINC001245079559 1058107766 /nfs/dbraw/zinc/10/77/66/1058107766.db2.gz QFOVDUPNVIKZTK-UHFFFAOYSA-N -1 3 317.801 4.243 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccn3)nc3c2CCC3)c(Cl)c1 ZINC001245078262 1058107914 /nfs/dbraw/zinc/10/79/14/1058107914.db2.gz BDBZXNCKAACCAW-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM CCOc1nnc(-c2ccc([O-])cc2Cl)c2ccccc21 ZINC001245078378 1058107961 /nfs/dbraw/zinc/10/79/61/1058107961.db2.gz HSFCXLYHJAPAMM-UHFFFAOYSA-N -1 3 300.745 4.055 20 0 DIADHM COc1ccccc1-c1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245079543 1058108000 /nfs/dbraw/zinc/10/80/00/1058108000.db2.gz PRWHYPVRWIBBKY-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COC(=O)c1ccc2ccnc(-c3ccc([O-])cc3Cl)c2c1 ZINC001245081148 1058108597 /nfs/dbraw/zinc/10/85/97/1058108597.db2.gz AUKFYVWOCFUHMY-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CCOC(=O)/C=C/c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001245129887 1058117652 /nfs/dbraw/zinc/11/76/52/1058117652.db2.gz IJJDPXQSYVHQRJ-BJMVGYQFSA-N -1 3 323.417 4.225 20 0 DIADHM Cc1ccc(Cl)cc1NC(=S)Nc1ccc([O-])c(F)c1 ZINC001245166597 1058123497 /nfs/dbraw/zinc/12/34/97/1058123497.db2.gz BKFPVUPZVPVSLM-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM Cc1c(C(=O)[O-])cccc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001245301467 1058143149 /nfs/dbraw/zinc/14/31/49/1058143149.db2.gz RCZJDVMSGIRKEN-UHFFFAOYSA-N -1 3 307.393 4.361 20 0 DIADHM S=c1ccc(-c2ccc(-c3nc4ccccc4o3)cc2)n[n-]1 ZINC001245326497 1058145602 /nfs/dbraw/zinc/14/56/02/1058145602.db2.gz QAFKYWKHDLXAJH-UHFFFAOYSA-N -1 3 305.362 4.241 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ncccc1SC ZINC001527625043 1058189743 /nfs/dbraw/zinc/18/97/43/1058189743.db2.gz VTQFESMCFNSWKW-UHFFFAOYSA-N -1 3 322.430 4.307 20 0 DIADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001545245860 1058192100 /nfs/dbraw/zinc/19/21/00/1058192100.db2.gz YYPNWBHQWQYRJX-BBRMVZONSA-N -1 3 321.436 4.185 20 0 DIADHM [O-]c1cccc(F)c1-c1cnc(F)c(OCc2ccccc2)c1 ZINC001245654422 1058312287 /nfs/dbraw/zinc/31/22/87/1058312287.db2.gz DTVSNWIUTPADAR-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1c([O-])cccc1F ZINC001245656843 1058312425 /nfs/dbraw/zinc/31/24/25/1058312425.db2.gz VHKQLOZSRKXBJH-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM COC(=O)[C@@H](c1ccc(-c2c([O-])cccc2F)cc1)C(C)C ZINC001245657019 1058313551 /nfs/dbraw/zinc/31/35/51/1058313551.db2.gz ZEMYQPUNCKEYDL-MRXNPFEDSA-N -1 3 302.345 4.111 20 0 DIADHM CC(=O)Nc1ccc(-c2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC001245656559 1058314361 /nfs/dbraw/zinc/31/43/61/1058314361.db2.gz SWFQEMDLJLVWLJ-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COc1ccc(-c2c([O-])cccc2F)c(OC(F)(F)F)c1 ZINC001245656839 1058314946 /nfs/dbraw/zinc/31/49/46/1058314946.db2.gz UYRYFTUNPKRALY-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cccc(F)c1-c1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001245656705 1058315442 /nfs/dbraw/zinc/31/54/42/1058315442.db2.gz RVELAWIRCNXIHS-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM CC(C)=CCOc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001556082059 1058540454 /nfs/dbraw/zinc/54/04/54/1058540454.db2.gz XUAWPTMXXAHXRI-UHFFFAOYSA-N -1 3 315.344 4.129 20 0 DIADHM CCC1(CNC(=O)c2cc(SC)ccc2[O-])CCCCC1 ZINC001556115150 1058546622 /nfs/dbraw/zinc/54/66/22/1058546622.db2.gz VXXSKZNZGNYOOO-UHFFFAOYSA-N -1 3 307.459 4.204 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC001556147432 1058551594 /nfs/dbraw/zinc/55/15/94/1058551594.db2.gz XNTSYKUOJAPDOB-GFCCVEGCSA-N -1 3 307.743 4.338 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)c([O-])c1 ZINC001556227113 1058564040 /nfs/dbraw/zinc/56/40/40/1058564040.db2.gz GWXVOERBVYKROL-UHFFFAOYSA-N -1 3 305.324 4.319 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2F)c([O-])c1 ZINC001556287246 1058574250 /nfs/dbraw/zinc/57/42/50/1058574250.db2.gz QJGNVZMSSYVFEV-UHFFFAOYSA-N -1 3 321.779 4.238 20 0 DIADHM COc1ccccc1CO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC001556398445 1058587463 /nfs/dbraw/zinc/58/74/63/1058587463.db2.gz FQCAYFMGBVTBNX-HNNXBMFYSA-N -1 3 305.418 4.016 20 0 DIADHM COc1ccc(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c1Cl ZINC001245888721 1058600546 /nfs/dbraw/zinc/60/05/46/1058600546.db2.gz LKOBICILBMJBQX-UHFFFAOYSA-N -1 3 307.777 4.450 20 0 DIADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c1[O-] ZINC001556529613 1058608600 /nfs/dbraw/zinc/60/86/00/1058608600.db2.gz OUEIIDIIPJCMKB-KDOFPFPSSA-N -1 3 309.409 4.178 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2C(C)(F)F)c([O-])c1 ZINC001556659595 1058626851 /nfs/dbraw/zinc/62/68/51/1058626851.db2.gz MOTOHQWNQJKVJC-UHFFFAOYSA-N -1 3 305.324 4.319 20 0 DIADHM CCCCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001520548784 1058635613 /nfs/dbraw/zinc/63/56/13/1058635613.db2.gz KZUHJMVYUASUNB-GFCCVEGCSA-N -1 3 305.315 4.325 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001556804321 1058646076 /nfs/dbraw/zinc/64/60/76/1058646076.db2.gz YNXCLEICZKVTED-CYBMUJFWSA-N -1 3 311.853 4.393 20 0 DIADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC001556806359 1058646190 /nfs/dbraw/zinc/64/61/90/1058646190.db2.gz JXKOBNNGOUDZRD-CABCVRRESA-N -1 3 319.445 4.222 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1[O-] ZINC001556830736 1058651008 /nfs/dbraw/zinc/65/10/08/1058651008.db2.gz ONEKFQABXDUWHK-IBGZPJMESA-N -1 3 321.420 4.322 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)c1 ZINC001556823553 1058651938 /nfs/dbraw/zinc/65/19/38/1058651938.db2.gz ANJKAXRAVMLYGX-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CC(=O)c1cccc(NC(=O)C=Cc2cc(C)c(C)cc2C)c1[O-] ZINC001556853509 1058656677 /nfs/dbraw/zinc/65/66/77/1058656677.db2.gz KLHZCNYZKQFVRK-HJWRWDBZSA-N -1 3 323.392 4.172 20 0 DIADHM CCc1cccc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC001556878368 1058664604 /nfs/dbraw/zinc/66/46/04/1058664604.db2.gz DTQCELAPXNKWKU-SPYBWZPUSA-N -1 3 323.436 4.361 20 0 DIADHM CSc1ccc(Cl)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC001557469055 1058754754 /nfs/dbraw/zinc/75/47/54/1058754754.db2.gz IXDYUKIJLSAJKB-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCc1ccc(-c2ccccc2)s1 ZINC001557636217 1058781016 /nfs/dbraw/zinc/78/10/16/1058781016.db2.gz ISGVPRRWFHDWMB-UHFFFAOYSA-N -1 3 323.417 4.359 20 0 DIADHM C[C@@H](CC1CCC1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001557765020 1058791537 /nfs/dbraw/zinc/79/15/37/1058791537.db2.gz FSMURPPBOOWUSG-HNNXBMFYSA-N -1 3 323.436 4.292 20 0 DIADHM C/C=C/C[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001557792973 1058796384 /nfs/dbraw/zinc/79/63/84/1058796384.db2.gz QZONYYXUIJQQLJ-YWVDXFKGSA-N -1 3 315.438 4.425 20 0 DIADHM CCC(F)(F)C(C)(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001557926285 1058813153 /nfs/dbraw/zinc/81/31/53/1058813153.db2.gz IZPFNXXBFHVRDI-UHFFFAOYSA-N -1 3 313.388 4.317 20 0 DIADHM CCC(F)(F)c1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC001558012705 1058827331 /nfs/dbraw/zinc/82/73/31/1058827331.db2.gz GHHLZORZRHGNGH-UHFFFAOYSA-N -1 3 305.324 4.455 20 0 DIADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)cc(O)c1C ZINC001558139818 1058845423 /nfs/dbraw/zinc/84/54/23/1058845423.db2.gz ZKNAIJZVLLCTLE-UHFFFAOYSA-N -1 3 313.378 4.182 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OC(C)(C)C)c2)c1 ZINC001558592459 1058889777 /nfs/dbraw/zinc/88/97/77/1058889777.db2.gz AMHWWSVMVITTTO-UHFFFAOYSA-N -1 3 313.397 4.384 20 0 DIADHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2ccc(F)cc2)no1 ZINC001530644531 1059103011 /nfs/dbraw/zinc/10/30/11/1059103011.db2.gz DOGSRVFUCJBQTH-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM [O-]c1ccccc1Sc1nn2cc(C3CCCC3)nc2s1 ZINC001559253564 1059125208 /nfs/dbraw/zinc/12/52/08/1059125208.db2.gz CSTGIIICAGXNSD-UHFFFAOYSA-N -1 3 317.439 4.305 20 0 DIADHM O=C([N-]c1ncc(Cl)cc1Cl)c1scnc1C(F)F ZINC001532010013 1059490478 /nfs/dbraw/zinc/49/04/78/1059490478.db2.gz VZISDADNFGLJCC-UHFFFAOYSA-N -1 3 324.139 4.035 20 0 DIADHM Cc1cccc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1Cl ZINC001247563921 1059548331 /nfs/dbraw/zinc/54/83/31/1059548331.db2.gz ASKJBRBZYSWTQO-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1c(Cl)cccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248142358 1059738937 /nfs/dbraw/zinc/73/89/37/1059738937.db2.gz MHZNSAPWVAVXKO-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CC(C)(C)c1ccc(COC(=O)c2cccc(Cl)c2[O-])nc1 ZINC001525133271 1059759600 /nfs/dbraw/zinc/75/96/00/1059759600.db2.gz KAXCGJDIARRYIY-UHFFFAOYSA-N -1 3 319.788 4.095 20 0 DIADHM O=C(Oc1ccc(Cl)c(F)c1F)c1cccc(Cl)c1[O-] ZINC001525390705 1059862195 /nfs/dbraw/zinc/86/21/95/1059862195.db2.gz ZTCQBTVYYPULIL-UHFFFAOYSA-N -1 3 319.090 4.196 20 0 DIADHM CCc1c(Cl)cc(Nc2cnc(N)c(C)c2)c([O-])c1Cl ZINC001249791285 1060404875 /nfs/dbraw/zinc/40/48/75/1060404875.db2.gz XBYWHCTXRMAYMG-UHFFFAOYSA-N -1 3 312.200 4.291 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2CCc2ccccc2)c(F)c1F ZINC001560660773 1060486649 /nfs/dbraw/zinc/48/66/49/1060486649.db2.gz ZOQYKIJNIMJGCL-MRXNPFEDSA-N -1 3 317.379 4.268 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2CCc2ccccc2)c(F)c1F ZINC001560660772 1060488290 /nfs/dbraw/zinc/48/82/90/1060488290.db2.gz ZOQYKIJNIMJGCL-INIZCTEOSA-N -1 3 317.379 4.268 20 0 DIADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1cc(F)cc(F)c1 ZINC001535225271 1060496887 /nfs/dbraw/zinc/49/68/87/1060496887.db2.gz GMBQUOMGTSKOMA-MRVPVSSYSA-N -1 3 312.699 4.242 20 0 DIADHM Cc1nc2ccc(F)cn2c1Nc1cc(Cl)c([O-])cc1F ZINC001250023240 1060546578 /nfs/dbraw/zinc/54/65/78/1060546578.db2.gz FRAVLGMNMFLFJZ-UHFFFAOYSA-N -1 3 309.703 4.024 20 0 DIADHM CSc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001250120136 1060628208 /nfs/dbraw/zinc/62/82/08/1060628208.db2.gz POJBVECIYUSMOU-UHFFFAOYSA-N -1 3 315.373 4.183 20 0 DIADHM C[C@@H]1C[C@H](c2ccccc2)N(Cc2c(F)ccc([O-])c2F)C1 ZINC001560821442 1060678845 /nfs/dbraw/zinc/67/88/45/1060678845.db2.gz UGQLZAVUQZWYNM-MLGOLLRUSA-N -1 3 303.352 4.254 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Cn3ccnc3)cc2)c1Cl ZINC001250233911 1060713754 /nfs/dbraw/zinc/71/37/54/1060713754.db2.gz ZUXYWNMDGBPUNV-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM COc1ccc(F)c(Nc2cc(F)c(F)cc2[O-])c1Cl ZINC001250308500 1060774164 /nfs/dbraw/zinc/77/41/64/1060774164.db2.gz GYZKHAOQXDGMMG-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM C[C@H](CSc1ccccc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001560919578 1060783918 /nfs/dbraw/zinc/78/39/18/1060783918.db2.gz IGDOSVLDPJQLTK-GFCCVEGCSA-N -1 3 323.408 4.283 20 0 DIADHM C[C@H]1CC[C@H](N(C)Cc2cc([O-])c(Cl)c(F)c2F)CC1 ZINC001250415980 1060796674 /nfs/dbraw/zinc/79/66/74/1060796674.db2.gz YEKJZAYIKBLWFQ-HOMQSWHASA-N -1 3 303.780 4.334 20 0 DIADHM COCCCn1c2ccccc2nc1-c1cc(Cl)ccc1[O-] ZINC001250458280 1060816934 /nfs/dbraw/zinc/81/69/34/1060816934.db2.gz SMHSPNMQVAESHS-UHFFFAOYSA-N -1 3 316.788 4.099 20 0 DIADHM CC(C)CCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001561091838 1060908873 /nfs/dbraw/zinc/90/88/73/1060908873.db2.gz RMMTXOCVUJJMAF-UHFFFAOYSA-N -1 3 323.911 4.286 20 0 DIADHM Cc1cc2nc(-c3cc4ccccc4[nH]c3=O)[n-]c2c(Cl)c1 ZINC001250645442 1060983520 /nfs/dbraw/zinc/98/35/20/1060983520.db2.gz OYRQPFOLJZWGNN-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM Cc1cc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2c(Cl)c1 ZINC001250645442 1060983532 /nfs/dbraw/zinc/98/35/32/1060983532.db2.gz OYRQPFOLJZWGNN-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2cc(Cl)c(F)cc2[n-]1 ZINC001250645197 1060983856 /nfs/dbraw/zinc/98/38/56/1060983856.db2.gz FCNPKKCIYMQGPB-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2cc(F)c(Cl)cc2[n-]1 ZINC001250645197 1060983873 /nfs/dbraw/zinc/98/38/73/1060983873.db2.gz FCNPKKCIYMQGPB-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2ccc(F)c(Cl)c2[n-]1 ZINC001250645210 1060984513 /nfs/dbraw/zinc/98/45/13/1060984513.db2.gz FWIIYRQGMKFPGK-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2c(ccc(F)c2Cl)[n-]1 ZINC001250645210 1060984544 /nfs/dbraw/zinc/98/45/44/1060984544.db2.gz FWIIYRQGMKFPGK-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM [O-]c1c(F)cccc1-c1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001250684011 1061016164 /nfs/dbraw/zinc/01/61/64/1061016164.db2.gz WGEWHDWVURIPIR-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CSCCCn1c2ccccc2nc1-c1cc(F)ccc1[O-] ZINC001250838314 1061088753 /nfs/dbraw/zinc/08/87/53/1061088753.db2.gz ZZOIPYVXSWCXLN-UHFFFAOYSA-N -1 3 316.401 4.301 20 0 DIADHM CCOc1ccc2nc(-c3cc(F)ccc3[O-])n(C3CC3)c2c1 ZINC001250838268 1061089618 /nfs/dbraw/zinc/08/96/18/1061089618.db2.gz XLEJSFRYYHXDLL-UHFFFAOYSA-N -1 3 312.344 4.282 20 0 DIADHM [O-]c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c(F)c1 ZINC001250843618 1061091929 /nfs/dbraw/zinc/09/19/29/1061091929.db2.gz AABDTKUPPJFVNZ-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CSCCCn1c2ccccc2nc1-c1ccc([O-])cc1F ZINC001250846183 1061095434 /nfs/dbraw/zinc/09/54/34/1061095434.db2.gz RXCKSMBQZGSIBP-UHFFFAOYSA-N -1 3 316.401 4.301 20 0 DIADHM CCCOc1ccc2nc(-c3c([O-])cccc3Cl)n(C)c2c1 ZINC001250863830 1061099152 /nfs/dbraw/zinc/09/91/52/1061099152.db2.gz MOKACBNUFXIZGB-UHFFFAOYSA-N -1 3 316.788 4.388 20 0 DIADHM CCN(CCOc1ccccc1C)Cc1cccc([O-])c1Cl ZINC001462369792 1061133693 /nfs/dbraw/zinc/13/36/93/1061133693.db2.gz UZPSWJLJZOSYEF-UHFFFAOYSA-N -1 3 319.832 4.255 20 0 DIADHM Cc1cc([O-])c(-c2nc3c([nH]2)c(F)cc(F)c3F)cc1Cl ZINC001251048476 1061199125 /nfs/dbraw/zinc/19/91/25/1061199125.db2.gz QSPWXUXGPSZXSI-UHFFFAOYSA-N -1 3 312.678 4.315 20 0 DIADHM O=C(CCCCCc1cccs1)[N-]OCCCC(F)(F)F ZINC001455083075 1061205883 /nfs/dbraw/zinc/20/58/83/1061205883.db2.gz AXRLIIHUYYXONF-UHFFFAOYSA-N -1 3 323.380 4.241 20 0 DIADHM CC(C)c1ccc(CCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC001455086060 1061206488 /nfs/dbraw/zinc/20/64/88/1061206488.db2.gz RIMQAVTYBMEOEJ-UHFFFAOYSA-N -1 3 317.351 4.133 20 0 DIADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001455170958 1061210920 /nfs/dbraw/zinc/21/09/20/1061210920.db2.gz QXPSARNISNKIJL-CRAIPNDOSA-N -1 3 323.436 4.497 20 0 DIADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc(O)c1C ZINC001455271980 1061218234 /nfs/dbraw/zinc/21/82/34/1061218234.db2.gz JZZMBQMNZLAHCF-UHFFFAOYSA-N -1 3 307.349 4.120 20 0 DIADHM CC[C@](C)(NCc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001462513806 1061224149 /nfs/dbraw/zinc/22/41/49/1061224149.db2.gz ZQVJIFGOFMRFGS-KRWDZBQOSA-N -1 3 309.331 4.225 20 0 DIADHM COc1cc([O-])c(-c2nc3cccc(Cl)c3n2C)cc1Cl ZINC001251082509 1061225481 /nfs/dbraw/zinc/22/54/81/1061225481.db2.gz IZWDEKSVYJQXHH-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001456087725 1061266731 /nfs/dbraw/zinc/26/67/31/1061266731.db2.gz XAABGFBNSRJBKF-MAUKXSAKSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cc(C)c2cc(NCc3c(F)ccc([O-])c3F)ccc2n1 ZINC001462575357 1061270944 /nfs/dbraw/zinc/27/09/44/1061270944.db2.gz AIMVGBSACGOUKK-UHFFFAOYSA-N -1 3 314.335 4.448 20 0 DIADHM CC(C)(C)n1c2cc(F)ccc2nc1-c1cccc([O-])c1F ZINC001251255458 1061290801 /nfs/dbraw/zinc/29/08/01/1061290801.db2.gz MYXDNRZMDYQZSK-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM [O-]c1cccc(-c2nc3ccc(F)c(F)c3n2C2CC2)c1F ZINC001251254973 1061292798 /nfs/dbraw/zinc/29/27/98/1061292798.db2.gz DSRIOZJPZSHFFY-UHFFFAOYSA-N -1 3 304.271 4.161 20 0 DIADHM COc1ccc(-c2nc3cc(F)c(C)cc3[nH]2)c(Cl)c1[O-] ZINC001251335701 1061322735 /nfs/dbraw/zinc/32/27/35/1061322735.db2.gz NCNSUEQTLDTWLY-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)c1[O-] ZINC001456570332 1061337162 /nfs/dbraw/zinc/33/71/62/1061337162.db2.gz REMAHXKFNTYIRR-QGZVFWFLSA-N -1 3 323.436 4.363 20 0 DIADHM Cc1ccnc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)c1Cl ZINC001251431741 1061355202 /nfs/dbraw/zinc/35/52/02/1061355202.db2.gz QFISKDHLJHVOCZ-UHFFFAOYSA-N -1 3 315.657 4.143 20 0 DIADHM CN(C)c1ccc2nc(-c3c([O-])ccc(Cl)c3Cl)[nH]c2c1 ZINC001251532078 1061391742 /nfs/dbraw/zinc/39/17/42/1061391742.db2.gz XJAZZTICNSNACT-UHFFFAOYSA-N -1 3 322.195 4.308 20 0 DIADHM CSCCCn1c2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC001251570017 1061403963 /nfs/dbraw/zinc/40/39/63/1061403963.db2.gz PVJDMOXECRLBDH-UHFFFAOYSA-N -1 3 316.401 4.301 20 0 DIADHM Cn1c2ccc(C(F)(F)F)cc2nc1-c1cc([O-])cc(F)c1 ZINC001251569342 1061404252 /nfs/dbraw/zinc/40/42/52/1061404252.db2.gz BALATRPBQROLKF-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM CCOc1ccc2nc(-c3cc([O-])cc(F)c3)n(C3CC3)c2c1 ZINC001251569471 1061404771 /nfs/dbraw/zinc/40/47/71/1061404771.db2.gz HWLUWAAYWDMGTB-UHFFFAOYSA-N -1 3 312.344 4.282 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3c(cc(F)cc3C(F)(F)F)[nH]2)c1 ZINC001251570575 1061406344 /nfs/dbraw/zinc/40/63/44/1061406344.db2.gz XIGUHHONLKTNHF-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM COc1cc2[nH]c(-c3cc(Cl)cc(F)c3[O-])nc2cc1C ZINC001251634959 1061427354 /nfs/dbraw/zinc/42/73/54/1061427354.db2.gz SJOMDMUERGLNGS-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1C(C)C ZINC001251657648 1061432405 /nfs/dbraw/zinc/43/24/05/1061432405.db2.gz LZLXUTHKHKATMX-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM CCCCOc1ccc(C(=O)NC2CCCCCCC2)c([O-])c1 ZINC001457462225 1061458991 /nfs/dbraw/zinc/45/89/91/1061458991.db2.gz IKVCNMOXEZSIPN-UHFFFAOYSA-N -1 3 319.445 4.414 20 0 DIADHM Cn1c2ccccc2nc1-c1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001251812580 1061496622 /nfs/dbraw/zinc/49/66/22/1061496622.db2.gz VPNKSIZMZKQDRZ-UHFFFAOYSA-N -1 3 306.365 4.130 20 0 DIADHM O=C(NC1CCCCCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001463549014 1061497625 /nfs/dbraw/zinc/49/76/25/1061497625.db2.gz FWQLZAUXZMFICA-UHFFFAOYSA-N -1 3 323.436 4.436 20 0 DIADHM CCCCC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC1 ZINC001457779059 1061498854 /nfs/dbraw/zinc/49/88/54/1061498854.db2.gz LNNOQJBLXHDQOA-UHFFFAOYSA-N -1 3 324.384 4.127 20 0 DIADHM Cc1cc(-c2nc3ccccc3[nH]2)c([O-])cc1Br ZINC001251859853 1061513905 /nfs/dbraw/zinc/51/39/05/1061513905.db2.gz SGTLURFLQLFYEK-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM CCN(C(=O)c1cc2c(cc1[O-])CCCC2)c1cccc(C)c1 ZINC001464024994 1061544285 /nfs/dbraw/zinc/54/42/85/1061544285.db2.gz DPCLAMUZBUGANX-UHFFFAOYSA-N -1 3 309.409 4.246 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2cccc(Cl)c2)c1 ZINC001464067935 1061552507 /nfs/dbraw/zinc/55/25/07/1061552507.db2.gz PJXYAWMQAVENMD-UHFFFAOYSA-N -1 3 317.816 4.270 20 0 DIADHM CCC[C@H](C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001464398091 1061589737 /nfs/dbraw/zinc/58/97/37/1061589737.db2.gz IWVKGXADAQQCRU-JTQLQIEISA-N -1 3 324.273 4.098 20 0 DIADHM CCC(CC)[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC001464398896 1061589782 /nfs/dbraw/zinc/58/97/82/1061589782.db2.gz BAKRIJMMJYQHAW-INIZCTEOSA-N -1 3 319.426 4.067 20 0 DIADHM CCOc1ccc(-c2nnc(-c3cc([O-])cc(Cl)c3)o2)cc1 ZINC001252138012 1061594464 /nfs/dbraw/zinc/59/44/64/1061594464.db2.gz UXTCVDBVUHSPMO-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC001464527624 1061602663 /nfs/dbraw/zinc/60/26/63/1061602663.db2.gz OWVYBUOBXPFDSU-UHFFFAOYSA-N -1 3 324.405 4.440 20 0 DIADHM CCc1cccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1[O-] ZINC001464940192 1061654044 /nfs/dbraw/zinc/65/40/44/1061654044.db2.gz KBJOUWCKLWJCSQ-GOSISDBHSA-N -1 3 309.409 4.226 20 0 DIADHM CCc1c([N-]c2nc3c(cccc3F)o2)cnn1CC(C)C ZINC001458302126 1061685642 /nfs/dbraw/zinc/68/56/42/1061685642.db2.gz HUJYJIFTQLWIES-UHFFFAOYSA-N -1 3 302.353 4.125 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1 ZINC001465143656 1061688905 /nfs/dbraw/zinc/68/89/05/1061688905.db2.gz RCBVZJRWXOPFTM-CYBMUJFWSA-N -1 3 321.486 4.403 20 0 DIADHM CC[C@@](C)(NC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001465191838 1061703165 /nfs/dbraw/zinc/70/31/65/1061703165.db2.gz PLWRMZMPVNEYEH-GOSISDBHSA-N -1 3 315.438 4.169 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC001252787996 1061717897 /nfs/dbraw/zinc/71/78/97/1061717897.db2.gz UPJWHJVASPEXTA-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CCc1cccc(C(=O)N[C@H](CC)c2ccc(F)cc2F)c1[O-] ZINC001465264829 1061723047 /nfs/dbraw/zinc/72/30/47/1061723047.db2.gz LSCFMNVALKJRAD-MRXNPFEDSA-N -1 3 319.351 4.114 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC001465637739 1061789194 /nfs/dbraw/zinc/78/91/94/1061789194.db2.gz 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Cc1cccc([O-])c1C(=O)N[C@@H](C1CCC1)C1CCCCC1 ZINC001469375277 1062537784 /nfs/dbraw/zinc/53/77/84/1062537784.db2.gz OVYKEJMZLGAKEW-GOSISDBHSA-N -1 3 301.430 4.179 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCC23CCCCC3)c1 ZINC001470098214 1062703630 /nfs/dbraw/zinc/70/36/30/1062703630.db2.gz DXLYGRPZHFPZHM-MRXNPFEDSA-N -1 3 319.470 4.347 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000723894073 1062806581 /nfs/dbraw/zinc/80/65/81/1062806581.db2.gz ACUSQOUNOOLWLX-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM Cc1ccc(C(=O)N[C@](C)(Cc2ccccc2)C(C)C)c([O-])c1 ZINC001471141835 1062928874 /nfs/dbraw/zinc/92/88/74/1062928874.db2.gz HVSTVPJQXWBERT-HXUWFJFHSA-N -1 3 311.425 4.088 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)c1 ZINC001471807399 1063023347 /nfs/dbraw/zinc/02/33/47/1063023347.db2.gz OUMZJYUNHMSNMQ-UHFFFAOYSA-N -1 3 321.376 4.281 20 0 DIADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001471892629 1063030932 /nfs/dbraw/zinc/03/09/32/1063030932.db2.gz 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ZINC001257209553 1063139772 /nfs/dbraw/zinc/13/97/72/1063139772.db2.gz LRMUVLYUMFUZCW-LSDHHAIUSA-N -1 3 322.364 4.030 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001257322821 1063200316 /nfs/dbraw/zinc/20/03/16/1063200316.db2.gz AXRVPRWKFSPZQY-KBPBESRZSA-N -1 3 322.364 4.036 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001257322837 1063202523 /nfs/dbraw/zinc/20/25/23/1063202523.db2.gz BEUPEKALEXUNRE-CABCVRRESA-N -1 3 306.365 4.330 20 0 DIADHM O=C(NCC1(c2ccccc2)CCCCCC1)c1ccccc1[O-] ZINC001546311570 1063528377 /nfs/dbraw/zinc/52/83/77/1063528377.db2.gz RJDBMHLHBWSVCQ-UHFFFAOYSA-N -1 3 323.436 4.414 20 0 DIADHM CCOC(=O)c1ccc(NC(=O)CCCC[C@H](C)CC)c([O-])c1 ZINC001546341107 1063563308 /nfs/dbraw/zinc/56/33/08/1063563308.db2.gz MWSZLYIAEISNNA-CYBMUJFWSA-N -1 3 321.417 4.114 20 0 DIADHM CCOC(=O)c1ccc(NC(=O)CCCC[C@@H](C)CC)c([O-])c1 ZINC001546341108 1063563914 /nfs/dbraw/zinc/56/39/14/1063563914.db2.gz MWSZLYIAEISNNA-ZDUSSCGKSA-N -1 3 321.417 4.114 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258492381 1063673709 /nfs/dbraw/zinc/67/37/09/1063673709.db2.gz CMQGDZKXAGCOPL-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM [O-]c1c(-c2nnc(CC3CCCC3)o2)cc(O)c2ccccc12 ZINC001258611773 1063711199 /nfs/dbraw/zinc/71/11/99/1063711199.db2.gz LRFPBRXGOQVGKF-UHFFFAOYSA-N -1 3 310.353 4.034 20 0 DIADHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc([O-])c(F)c1F ZINC001461893981 1063783315 /nfs/dbraw/zinc/78/33/15/1063783315.db2.gz AUYLMYJZMKTSFL-FZMZJTMJSA-N -1 3 321.342 4.188 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c(C)c1 ZINC001259101624 1063883210 /nfs/dbraw/zinc/88/32/10/1063883210.db2.gz OOUCYJCUBAWLGV-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)cc1C ZINC001259167933 1063884406 /nfs/dbraw/zinc/88/44/06/1063884406.db2.gz MLEHURBNOJAMHF-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM CCc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)cc1C ZINC001259490808 1063889618 /nfs/dbraw/zinc/88/96/18/1063889618.db2.gz QQSMXTIZGOVLNS-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001259523492 1063890261 /nfs/dbraw/zinc/89/02/61/1063890261.db2.gz SHHKDJBKGXQIAD-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM CC[C@H](C)S(=O)(=O)[N-]c1cccc(C)c1Oc1ccccc1 ZINC001260741017 1063903448 /nfs/dbraw/zinc/90/34/48/1063903448.db2.gz WMRXOGXNCMUXRX-AWEZNQCLSA-N -1 3 319.426 4.328 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c1C ZINC001260998002 1063908050 /nfs/dbraw/zinc/90/80/50/1063908050.db2.gz CNIMVANLYPQDEH-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM O=C([N-]c1ccccc1SC(F)(F)F)c1ncccc1F ZINC001264530640 1064109239 /nfs/dbraw/zinc/10/92/39/1064109239.db2.gz SJCVHKSXANPOFJ-UHFFFAOYSA-N -1 3 316.279 4.085 20 0 DIADHM CCn1c2ccccc2nc1-c1cc([O-])cc(Br)c1 ZINC000700851104 1064228575 /nfs/dbraw/zinc/22/85/75/1064228575.db2.gz BCDSYDQPFCSQQA-UHFFFAOYSA-N -1 3 317.186 4.191 20 0 DIADHM CCCCCC[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001289107379 1064594781 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CCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1Cl ZINC001291674928 1064740185 /nfs/dbraw/zinc/74/01/85/1064740185.db2.gz YXOCUFZJBQSNDH-UHFFFAOYSA-N -1 3 319.788 4.313 20 0 DIADHM Cc1sc(NC(=O)c2c(C)cccc2[O-])nc1-c1ccccc1 ZINC001291729425 1064742992 /nfs/dbraw/zinc/74/29/92/1064742992.db2.gz ALMKEBBEJUYGNX-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC001291833023 1064746773 /nfs/dbraw/zinc/74/67/73/1064746773.db2.gz UQQRMATVGDKTBZ-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001292406392 1064772671 /nfs/dbraw/zinc/77/26/71/1064772671.db2.gz NQQSRPNIFDVPOV-VNQPRFMTSA-N -1 3 303.446 4.139 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)c([O-])c1 ZINC001292937639 1064794423 /nfs/dbraw/zinc/79/44/23/1064794423.db2.gz SNWJAGYFJVHFKC-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c1[O-] ZINC001293447498 1064815541 /nfs/dbraw/zinc/81/55/41/1064815541.db2.gz 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Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)s1 ZINC000416416086 334667241 /nfs/dbraw/zinc/66/72/41/334667241.db2.gz VGVRFKBMVZQTDB-UHFFFAOYSA-N -1 3 320.464 4.223 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)CSc2ccccc2)c1[O-] ZINC000112641014 334720239 /nfs/dbraw/zinc/72/02/39/334720239.db2.gz UFYYNVYXRVCRQW-UHFFFAOYSA-N -1 3 307.802 4.085 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H](CC(F)(F)F)c2ccccc2C)n1 ZINC000444008562 338466816 /nfs/dbraw/zinc/46/68/16/338466816.db2.gz KXMYNAMOHCLCKH-AWEZNQCLSA-N -1 3 324.346 4.187 20 0 DIADHM CC[C@@H](C)[C@@H](OC)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000331308098 334852806 /nfs/dbraw/zinc/85/28/06/334852806.db2.gz BHGYBRDLQCELBP-IAQYHMDHSA-N -1 3 308.422 4.030 20 0 DIADHM CCCCSCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345150268 335301630 /nfs/dbraw/zinc/30/16/30/335301630.db2.gz BEKWQTOGYCEVLA-ZDUSSCGKSA-N -1 3 307.459 4.156 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc3cccnc32)c2c([O-])cccc21 ZINC000345152576 335301793 /nfs/dbraw/zinc/30/17/93/335301793.db2.gz YMXQNORBLAQIQA-ZDUSSCGKSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1cc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)c(C)o1 ZINC000347153840 335474155 /nfs/dbraw/zinc/47/41/55/335474155.db2.gz RZKHRJYYUYPYHZ-UHFFFAOYSA-N -1 3 324.258 4.338 20 0 DIADHM COc1ccccc1[C@H](CC(C)C)NCc1cc([O-])cc(F)c1 ZINC000349603676 335684044 /nfs/dbraw/zinc/68/40/44/335684044.db2.gz XVISYKBRHGMIBM-SFHVURJKSA-N -1 3 317.404 4.417 20 0 DIADHM CCC[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442922874 335888594 /nfs/dbraw/zinc/88/85/94/335888594.db2.gz HOJVVITZROEZJD-SECBINFHSA-N -1 3 305.296 4.056 20 0 DIADHM CCc1noc(C)c1C(=O)[N-]c1ccccc1SC(C)C ZINC000351583118 336046827 /nfs/dbraw/zinc/04/68/27/336046827.db2.gz HERUCJXTIQXEHH-UHFFFAOYSA-N -1 3 304.415 4.298 20 0 DIADHM CC(=O)c1ccc(C(=O)[N-]c2onc(C3CCCCC3)c2C)o1 ZINC000332207728 336162884 /nfs/dbraw/zinc/16/28/84/336162884.db2.gz TXAIAWOONHRJMY-UHFFFAOYSA-N -1 3 316.357 4.079 20 0 DIADHM Cc1nc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc2s1 ZINC000352151036 336197026 /nfs/dbraw/zinc/19/70/26/336197026.db2.gz 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O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000353406928 336415881 /nfs/dbraw/zinc/41/58/81/336415881.db2.gz FYTBDLMFYQTXPL-INIZCTEOSA-N -1 3 319.763 4.162 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@]2(CC=CCC2)C1 ZINC000354481200 336472655 /nfs/dbraw/zinc/47/26/55/336472655.db2.gz YAQKCEBXVNCERB-KRWDZBQOSA-N -1 3 305.805 4.008 20 0 DIADHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000426752052 337038448 /nfs/dbraw/zinc/03/84/48/337038448.db2.gz AMYMLOLNONGECY-BZNIZROVSA-N -1 3 321.779 4.031 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cn(C(C)C)nc1C ZINC000584358990 337102245 /nfs/dbraw/zinc/10/22/45/337102245.db2.gz NMAJLUMYPMUMJK-UHFFFAOYSA-N -1 3 321.421 4.276 20 0 DIADHM Cc1ccccc1[C@H](NC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000582740519 337128269 /nfs/dbraw/zinc/12/82/69/337128269.db2.gz PEDAEFWJYIPFIS-QGZVFWFLSA-N -1 3 317.816 4.481 20 0 DIADHM COCc1ccsc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000183362165 337191487 /nfs/dbraw/zinc/19/14/87/337191487.db2.gz KSTRGQCMNFZZKV-UHFFFAOYSA-N -1 3 317.744 4.078 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000583026455 337228238 /nfs/dbraw/zinc/22/82/38/337228238.db2.gz BUMVEIKEURKCRB-LPHOPBHVSA-N -1 3 323.436 4.269 20 0 DIADHM Cc1cc(C)c(CC(=O)Nc2c([O-])cccc2Cl)c(C)c1 ZINC000583053487 337230180 /nfs/dbraw/zinc/23/01/80/337230180.db2.gz GEIKZHPMSSJLDN-UHFFFAOYSA-N -1 3 303.789 4.152 20 0 DIADHM CCSCC[C@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000583031052 337231172 /nfs/dbraw/zinc/23/11/72/337231172.db2.gz WLRASRHIQVRQGL-NSHDSACASA-N -1 3 315.866 4.002 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(-c2cccnc2)cc1 ZINC000185564330 337249010 /nfs/dbraw/zinc/24/90/10/337249010.db2.gz IEPGQMCHJGQKAJ-CQSZACIVSA-N -1 3 322.383 4.444 20 0 DIADHM O=C([O-])c1cccc(Cl)c1CN1CCC2(C1)CCCCC2 ZINC000583758842 337330505 /nfs/dbraw/zinc/33/05/05/337330505.db2.gz ZNSIJXFBQUHMNK-UHFFFAOYSA-N -1 3 307.821 4.194 20 0 DIADHM [O-]c1cccnc1CNC1(c2ccc(Cl)cc2)CCCCC1 ZINC000572046126 337588575 /nfs/dbraw/zinc/58/85/75/337588575.db2.gz CPXIJNJWYFJBQG-UHFFFAOYSA-N -1 3 316.832 4.390 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccncc1F ZINC000078111581 337590130 /nfs/dbraw/zinc/59/01/30/337590130.db2.gz OLHGUFBHGPYGJT-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM CCC(CC)(CNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000263071704 337624000 /nfs/dbraw/zinc/62/40/00/337624000.db2.gz PNEHEXXNSYLSTG-UHFFFAOYSA-N -1 3 310.246 4.036 20 0 DIADHM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000263392240 337627569 /nfs/dbraw/zinc/62/75/69/337627569.db2.gz FPODNEOQZNFXHS-QGZVFWFLSA-N -1 3 319.351 4.150 20 0 DIADHM Cc1c(CN2CCC(C(=O)[O-])CC2)sc2c1cccc2Cl ZINC000263410037 337628155 /nfs/dbraw/zinc/62/81/55/337628155.db2.gz LCOGQVRGRILUOL-UHFFFAOYSA-N -1 3 323.845 4.160 20 0 DIADHM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000263414179 337628330 /nfs/dbraw/zinc/62/83/30/337628330.db2.gz MPABZNZEGRGVFC-GFCCVEGCSA-N -1 3 309.818 4.341 20 0 DIADHM CC(C)Oc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263481394 337630272 /nfs/dbraw/zinc/63/02/72/337630272.db2.gz OBMARLOKPRICCO-AWEZNQCLSA-N -1 3 313.397 4.023 20 0 DIADHM C[C@H](NCCCCC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000263577646 337631816 /nfs/dbraw/zinc/63/18/16/337631816.db2.gz RRPQOPQETXSSKT-QMMMGPOBSA-N -1 3 308.180 4.038 20 0 DIADHM CCOc1cc(-c2noc(-c3ccc(Cl)s3)n2)ccc1[O-] ZINC000445420327 337720063 /nfs/dbraw/zinc/72/00/63/337720063.db2.gz VMBSZDDSWARNFC-UHFFFAOYSA-N -1 3 322.773 4.223 20 0 DIADHM CCOc1cc(-c2noc(/C=C3/CC[C@@H](C)C3)n2)ccc1[O-] ZINC000445427407 337727660 /nfs/dbraw/zinc/72/76/60/337727660.db2.gz OXJLSRGPDIOVCC-ZGSOTFDTSA-N -1 3 300.358 4.044 20 0 DIADHM CC(=O)c1csc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC000106902487 337823843 /nfs/dbraw/zinc/82/38/43/337823843.db2.gz BPHJGLXMZPIXGB-UHFFFAOYSA-N -1 3 317.410 4.206 20 0 DIADHM CCCOc1cccc(CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000533158889 337832091 /nfs/dbraw/zinc/83/20/91/337832091.db2.gz VUKZQWFVAMJCLD-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000533159142 337832103 /nfs/dbraw/zinc/83/21/03/337832103.db2.gz KZYXWZNABJFVSM-VHSXEESVSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccc(C)cc1[O-] ZINC000122580775 337922584 /nfs/dbraw/zinc/92/25/84/337922584.db2.gz AKQKIMTXQZUUCM-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM O=C(CCC1CCCC1)Nc1ccc(Br)cc1[O-] ZINC000514820638 337971161 /nfs/dbraw/zinc/97/11/61/337971161.db2.gz TYNWDHQFFJOLRK-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CC(C)(NCc1cccc([O-])c1Br)c1ccccc1 ZINC000315431029 337986295 /nfs/dbraw/zinc/98/62/95/337986295.db2.gz NVEWMHGGMKHKIT-UHFFFAOYSA-N -1 3 320.230 4.180 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccc3ccccc32)c1 ZINC000515594579 337993676 /nfs/dbraw/zinc/99/36/76/337993676.db2.gz BDZRWOGEWHKQHS-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM O=C(Nc1ccccc1Oc1ccccc1)c1cccc([O-])c1 ZINC000084831069 338005207 /nfs/dbraw/zinc/00/52/07/338005207.db2.gz SBVHWRFTVVXGHI-UHFFFAOYSA-N -1 3 305.333 4.437 20 0 DIADHM CCCn1c(=O)[n-]nc1S[C@H](C)c1c(C)cc(C)cc1C ZINC000516147260 338005299 /nfs/dbraw/zinc/00/52/99/338005299.db2.gz PSTVZJNTQHPSTJ-CYBMUJFWSA-N -1 3 305.447 4.172 20 0 DIADHM Cc1ccccc1C1CC(N(Cc2ncccc2[O-])C2CC2)C1 ZINC000516347440 338010367 /nfs/dbraw/zinc/01/03/67/338010367.db2.gz WDGMJSYERKQHHU-UHFFFAOYSA-N -1 3 308.425 4.006 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000426652357 338037133 /nfs/dbraw/zinc/03/71/33/338037133.db2.gz SNYAVBKYYITSHQ-SNVBAGLBSA-N -1 3 304.217 4.117 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000426666690 338037542 /nfs/dbraw/zinc/03/75/42/338037542.db2.gz UKKUDKUFQRILLT-JTQLQIEISA-N -1 3 304.217 4.117 20 0 DIADHM CCc1cccc(Cl)c1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000426684645 338038082 /nfs/dbraw/zinc/03/80/82/338038082.db2.gz ALYCXRVQOGFKPV-OLZOCXBDSA-N -1 3 311.853 4.272 20 0 DIADHM C[C@H](CCC[C@H](C)NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426704822 338038560 /nfs/dbraw/zinc/03/85/60/338038560.db2.gz SRACWUVTMVWMGH-NEPJUHHUSA-N -1 3 323.820 4.455 20 0 DIADHM Cc1ccc([C@@H](NCc2cc3c(cc(C)cc3C)[nH]2)C(=O)[O-])cc1 ZINC000426711347 338038870 /nfs/dbraw/zinc/03/88/70/338038870.db2.gz ZRAKADVLAYIVCE-LJQANCHMSA-N -1 3 322.408 4.009 20 0 DIADHM Cc1ccc([C@@H](NCc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000426716735 338039018 /nfs/dbraw/zinc/03/90/18/338039018.db2.gz XSEJRNSRKBEWHO-LJQANCHMSA-N -1 3 305.377 4.064 20 0 DIADHM O=C([O-])[C@@H](CC1CCCC1)NCc1c(Cl)oc2ccccc21 ZINC000426739840 338040049 /nfs/dbraw/zinc/04/00/49/338040049.db2.gz FCXBRGAWFWJPGO-CQSZACIVSA-N -1 3 321.804 4.209 20 0 DIADHM CC(C)(C)CC[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426738595 338040095 /nfs/dbraw/zinc/04/00/95/338040095.db2.gz XIZDVRWNUDSHFH-ZDUSSCGKSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000426752762 338040792 /nfs/dbraw/zinc/04/07/92/338040792.db2.gz BJTJXGUKACVOPB-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM CCCc1cccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000426753151 338040799 /nfs/dbraw/zinc/04/07/99/338040799.db2.gz CDDJTSLVYZBUMH-BEFAXECRSA-N -1 3 311.425 4.191 20 0 DIADHM CCCc1cccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000426753154 338040831 /nfs/dbraw/zinc/04/08/31/338040831.db2.gz CDDJTSLVYZBUMH-KXBFYZLASA-N -1 3 311.425 4.191 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)ccc1[O-] ZINC000426756221 338040952 /nfs/dbraw/zinc/04/09/52/338040952.db2.gz ISVYWEBKMODFIU-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM O=C([O-])[C@@H](CC1CCCC1)NCc1cccc(Cl)c1Cl ZINC000426762635 338041297 /nfs/dbraw/zinc/04/12/97/338041297.db2.gz MBZUFALWRKAJJD-CYBMUJFWSA-N -1 3 316.228 4.117 20 0 DIADHM Cc1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)cc1 ZINC000431509385 338132846 /nfs/dbraw/zinc/13/28/46/338132846.db2.gz OKBLQYZOFKHICZ-KRWDZBQOSA-N -1 3 315.800 4.235 20 0 DIADHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000431799982 338139052 /nfs/dbraw/zinc/13/90/52/338139052.db2.gz VMHMOWIZRAKTJJ-JTQLQIEISA-N -1 3 307.752 4.018 20 0 DIADHM CCCOc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431898259 338141263 /nfs/dbraw/zinc/14/12/63/338141263.db2.gz LUTRIUJMQKGZGK-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM O=c1nc(-c2cscn2)[n-]c2sc(-c3ccccc3)cc21 ZINC000432521680 338158088 /nfs/dbraw/zinc/15/80/88/338158088.db2.gz ZSZIAYCFLREZKS-UHFFFAOYSA-N -1 3 311.391 4.187 20 0 DIADHM O=C(c1cccc([O-])c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000432547076 338158656 /nfs/dbraw/zinc/15/86/56/338158656.db2.gz QYVOFQHPBVDVGQ-UHFFFAOYSA-N -1 3 311.356 4.004 20 0 DIADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1F ZINC000432695868 338163433 /nfs/dbraw/zinc/16/34/33/338163433.db2.gz NWBZJLKFPMRMJN-SFQUDFHCSA-N -1 3 320.367 4.001 20 0 DIADHM CC(C)Oc1ccc(F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000433340582 338193243 /nfs/dbraw/zinc/19/32/43/338193243.db2.gz DWVPLWCAXFUPSY-UHFFFAOYSA-N -1 3 323.751 4.224 20 0 DIADHM CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1 ZINC000433348543 338193496 /nfs/dbraw/zinc/19/34/96/338193496.db2.gz AHDCDQIOYANJDB-UHFFFAOYSA-N -1 3 324.207 4.364 20 0 DIADHM Cc1cccc(C(C)(C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000433345084 338193613 /nfs/dbraw/zinc/19/36/13/338193613.db2.gz VLBJXNNIUTWRQJ-UHFFFAOYSA-N -1 3 303.789 4.019 20 0 DIADHM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1 ZINC000433808759 338202652 /nfs/dbraw/zinc/20/26/52/338202652.db2.gz FOGWMTDYUNKBES-UHFFFAOYSA-N -1 3 309.818 4.012 20 0 DIADHM CSc1cccc(C)c1[N-]C(=O)c1noc2c1C[C@H](C)CC2 ZINC000433858241 338203566 /nfs/dbraw/zinc/20/35/66/338203566.db2.gz IRHGPHXUMYXTTK-SNVBAGLBSA-N -1 3 316.426 4.082 20 0 DIADHM C[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1ccccc1 ZINC000435796748 338249690 /nfs/dbraw/zinc/24/96/90/338249690.db2.gz IPNSHSXYIVJHGT-AMKSKSKJSA-N -1 3 301.773 4.034 20 0 DIADHM C[C@@H](Oc1ccccc1)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435948433 338253875 /nfs/dbraw/zinc/25/38/75/338253875.db2.gz DSAIOUDFQGLQDU-OCHBPSSRSA-N -1 3 308.337 4.086 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cncc4ccccc43)no2)c1 ZINC000435947883 338253964 /nfs/dbraw/zinc/25/39/64/338253964.db2.gz CNHAGUZPGOSILV-CMDGGOBGSA-N -1 3 315.332 4.161 20 0 DIADHM Cc1ccccc1[C@H](C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435958186 338254254 /nfs/dbraw/zinc/25/42/54/338254254.db2.gz NAXONLRHVMQGGL-VNDWYCCKSA-N -1 3 306.365 4.406 20 0 DIADHM CCn1c(=O)[n-]nc1SCc1ccc(-c2ccsc2)cc1 ZINC000436137788 338259439 /nfs/dbraw/zinc/25/94/39/338259439.db2.gz TUKGHSHMYFSRNG-UHFFFAOYSA-N -1 3 317.439 4.024 20 0 DIADHM COc1cccc([C@H](C)CCCC(=O)Nc2ccccc2[O-])c1 ZINC000436424405 338272167 /nfs/dbraw/zinc/27/21/67/338272167.db2.gz ZRLIXJCKPIEOQU-CQSZACIVSA-N -1 3 313.397 4.313 20 0 DIADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000436484594 338273866 /nfs/dbraw/zinc/27/38/66/338273866.db2.gz HFHQECCRJVBDOO-ZDUSSCGKSA-N -1 3 301.361 4.063 20 0 DIADHM COc1ccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC000436486230 338273953 /nfs/dbraw/zinc/27/39/53/338273953.db2.gz MSHZPYLOUJEMHD-UHFFFAOYSA-N -1 3 319.445 4.078 20 0 DIADHM CCOc1cc(-c2noc(C(C)(C)C(C)(C)C)n2)ccc1[O-] ZINC000436520724 338274864 /nfs/dbraw/zinc/27/48/64/338274864.db2.gz IQJFEBNFHQVIPU-UHFFFAOYSA-N -1 3 304.390 4.165 20 0 DIADHM [O-]c1ccccc1-c1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000436524210 338275192 /nfs/dbraw/zinc/27/51/92/338275192.db2.gz ZJPGYMJHIIPLCJ-UHFFFAOYSA-N -1 3 324.355 4.441 20 0 DIADHM Cc1ccc2[nH]cc(CCc3nc(-c4ccc([O-])cc4)no3)c2c1 ZINC000436530159 338275433 /nfs/dbraw/zinc/27/54/33/338275433.db2.gz DEZFEZHUWFPNPX-UHFFFAOYSA-N -1 3 319.364 4.017 20 0 DIADHM C[C@@H](c1cc2ccccc2o1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436535754 338275652 /nfs/dbraw/zinc/27/56/52/338275652.db2.gz SLDGKRHKLOQPFN-NSHDSACASA-N -1 3 306.321 4.340 20 0 DIADHM Cc1c2cc(C)ccc2[nH]c1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436537011 338275869 /nfs/dbraw/zinc/27/58/69/338275869.db2.gz XDVCIHVALRTQBC-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1 ZINC000436544522 338276413 /nfs/dbraw/zinc/27/64/13/338276413.db2.gz DBDBRVBCZPRPNW-GOSISDBHSA-N -1 3 323.436 4.145 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000436552784 338276798 /nfs/dbraw/zinc/27/67/98/338276798.db2.gz CWTOEBOZHAYIFZ-QXAKKESOSA-N -1 3 321.420 4.109 20 0 DIADHM CC[C@@H](CN(CC)C(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436562361 338277103 /nfs/dbraw/zinc/27/71/03/338277103.db2.gz FEQUQVFQXFTHGD-INIZCTEOSA-N -1 3 311.425 4.357 20 0 DIADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436567026 338277496 /nfs/dbraw/zinc/27/74/96/338277496.db2.gz WMNGDYCZNTVPLX-UONOGXRCSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1 ZINC000436571175 338277597 /nfs/dbraw/zinc/27/75/97/338277597.db2.gz BWNVQTMECCJYEP-SUMWQHHRSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cc3ccccc3o2)c([O-])c1C ZINC000436572124 338277731 /nfs/dbraw/zinc/27/77/31/338277731.db2.gz DETRRPDHSKCMFV-UHFFFAOYSA-N -1 3 309.365 4.027 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)c([O-])c1C ZINC000436572170 338277823 /nfs/dbraw/zinc/27/78/23/338277823.db2.gz DJURWSCBODIGLM-AEFFLSMTSA-N -1 3 323.436 4.102 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c1[O-] ZINC000436578042 338277988 /nfs/dbraw/zinc/27/79/88/338277988.db2.gz VQAWEGOMXDVPCA-YVEFUNNKSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)c([O-])c1 ZINC000436584588 338278538 /nfs/dbraw/zinc/27/85/38/338278538.db2.gz JJIMMWAPJPHWJR-UHFFFAOYSA-N -1 3 307.393 4.173 20 0 DIADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccccc2[O-])cc1 ZINC000436586044 338278627 /nfs/dbraw/zinc/27/86/27/338278627.db2.gz AKWFDFJVYHBGAL-SJLPKXTDSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1[O-] ZINC000436592245 338278919 /nfs/dbraw/zinc/27/89/19/338278919.db2.gz SLGOMNBVZJOAFX-YVEFUNNKSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc([O-])c(-c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000436591667 338278986 /nfs/dbraw/zinc/27/89/86/338278986.db2.gz XMZOOZJKGLKGRJ-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM CC[C@H]1CCCC[C@H]1c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436592283 338278990 /nfs/dbraw/zinc/27/89/90/338278990.db2.gz SVBTWBNFBHAJRT-NWDGAFQWSA-N -1 3 302.374 4.135 20 0 DIADHM Cc1coc(-c2cc(NC(=O)c3ccc(C)cc3[O-])ccc2C)n1 ZINC000436596361 338279205 /nfs/dbraw/zinc/27/92/05/338279205.db2.gz LUMKOEJDGJRVQF-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1ccc(F)cc1F ZINC000436599810 338279317 /nfs/dbraw/zinc/27/93/17/338279317.db2.gz CGINXBYZKCIVOW-INIZCTEOSA-N -1 3 317.335 4.038 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1CCCc1ccccc1 ZINC000436604989 338279609 /nfs/dbraw/zinc/27/96/09/338279609.db2.gz OZISXPDNXOSOCR-KRWDZBQOSA-N -1 3 309.409 4.020 20 0 DIADHM CC(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436606669 338279684 /nfs/dbraw/zinc/27/96/84/338279684.db2.gz DQWHUALOOLFUTC-RDJZCZTQSA-N -1 3 324.380 4.124 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2)c([O-])c1 ZINC000436608465 338279733 /nfs/dbraw/zinc/27/97/33/338279733.db2.gz QKEHUAMMNYWLOY-UHFFFAOYSA-N -1 3 321.376 4.136 20 0 DIADHM CCCCN(CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436610379 338279782 /nfs/dbraw/zinc/27/97/82/338279782.db2.gz XUHPNHUIQKDSPF-UHFFFAOYSA-N -1 3 311.425 4.245 20 0 DIADHM CCCCO[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436609239 338279796 /nfs/dbraw/zinc/27/97/96/338279796.db2.gz IEHZZIFZMFHFDT-LBPRGKRZSA-N -1 3 312.369 4.473 20 0 DIADHM CC(C)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)on1 ZINC000436613704 338279873 /nfs/dbraw/zinc/27/98/73/338279873.db2.gz RWPDPLLDQBNBTJ-UHFFFAOYSA-N -1 3 321.336 4.374 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cccnc3)n2)c2ccccc12 ZINC000436613243 338280023 /nfs/dbraw/zinc/28/00/23/338280023.db2.gz TXQVGIVTPANANI-YFHOEESVSA-N -1 3 315.332 4.161 20 0 DIADHM CCc1ncsc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614598 338280053 /nfs/dbraw/zinc/28/00/53/338280053.db2.gz ZOMGWKPWRIIROF-UHFFFAOYSA-N -1 3 323.377 4.281 20 0 DIADHM CCOC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCCC1 ZINC000436614300 338280077 /nfs/dbraw/zinc/28/00/77/338280077.db2.gz WBQPWWXHYCHZEB-UHFFFAOYSA-N -1 3 324.380 4.401 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3ccco3)n2)c2ccccc12 ZINC000436614372 338280103 /nfs/dbraw/zinc/28/01/03/338280103.db2.gz WVANSCYEHBOXMM-JXMROGBWSA-N -1 3 304.305 4.359 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3ccco3)n2)c2ccccc12 ZINC000436614373 338280133 /nfs/dbraw/zinc/28/01/33/338280133.db2.gz WVANSCYEHBOXMM-YFHOEESVSA-N -1 3 304.305 4.359 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000436627469 338280627 /nfs/dbraw/zinc/28/06/27/338280627.db2.gz WHELJHTZOXREPE-UHFFFAOYSA-N -1 3 317.816 4.441 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c([O-])c1C ZINC000436638136 338280970 /nfs/dbraw/zinc/28/09/70/338280970.db2.gz ZXCHPUJAPGGMCN-UHFFFAOYSA-N -1 3 319.404 4.434 20 0 DIADHM COc1cc2nc(/C=C/c3ccc([O-])cc3)sc2cc1OC ZINC000436648323 338281378 /nfs/dbraw/zinc/28/13/78/338281378.db2.gz PLUSAMKZAGQTJL-VMPITWQZSA-N -1 3 313.378 4.190 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c([O-])c1C ZINC000436650943 338281478 /nfs/dbraw/zinc/28/14/78/338281478.db2.gz SSDRYYYHWODUKU-UHFFFAOYSA-N -1 3 324.424 4.170 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2c(F)cccc2F)c([O-])c1 ZINC000436660733 338282049 /nfs/dbraw/zinc/28/20/49/338282049.db2.gz AUIOUQQYDNZRLV-UHFFFAOYSA-N -1 3 319.351 4.066 20 0 DIADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000436674059 338282296 /nfs/dbraw/zinc/28/22/96/338282296.db2.gz GRQYHIUVMCTYFH-QRQLOZEOSA-N -1 3 321.420 4.191 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000436720264 338284051 /nfs/dbraw/zinc/28/40/51/338284051.db2.gz SJMPGBLCRPRUOC-ZDUSSCGKSA-N -1 3 317.816 4.057 20 0 DIADHM O=C([N-]c1csnc1-c1ccccc1)c1c(F)cccc1F ZINC000436723125 338284111 /nfs/dbraw/zinc/28/41/11/338284111.db2.gz MZAROFKQRFRKKW-UHFFFAOYSA-N -1 3 316.332 4.341 20 0 DIADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436727691 338284443 /nfs/dbraw/zinc/28/44/43/338284443.db2.gz BPAJTRZYVDSRKF-FUHWJXTLSA-N -1 3 309.409 4.191 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436730315 338284496 /nfs/dbraw/zinc/28/44/96/338284496.db2.gz KVUYCMDXKNEUKO-NVXWUHKLSA-N -1 3 309.409 4.027 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1 ZINC000436726797 338284559 /nfs/dbraw/zinc/28/45/59/338284559.db2.gz ZIUAIWDHJFOGTC-KUHUBIRLSA-N -1 3 301.430 4.168 20 0 DIADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436758862 338285884 /nfs/dbraw/zinc/28/58/84/338285884.db2.gz ZYRSSCCSOICDDF-UHFFFAOYSA-N -1 3 319.360 4.461 20 0 DIADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCCC1 ZINC000436758378 338285888 /nfs/dbraw/zinc/28/58/88/338285888.db2.gz XDPCADQJJODINZ-UHFFFAOYSA-N -1 3 311.381 4.199 20 0 DIADHM CCOc1ccccc1/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436769215 338286593 /nfs/dbraw/zinc/28/65/93/338286593.db2.gz JSZRUKSYACGGTN-FMIVXFBMSA-N -1 3 308.337 4.011 20 0 DIADHM CCOc1ccc(/C=C/c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767180 338286664 /nfs/dbraw/zinc/28/66/64/338286664.db2.gz GFHYTVRIHGZFFC-LFYBBSHMSA-N -1 3 308.337 4.011 20 0 DIADHM CC(C)c1ccc(OCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770514 338286817 /nfs/dbraw/zinc/28/68/17/338286817.db2.gz RQWCBAWOPWXKPL-UHFFFAOYSA-N -1 3 310.353 4.145 20 0 DIADHM [O-]c1ccc(-c2noc(CSc3ccc(F)c(F)c3)n2)cc1 ZINC000436774325 338286991 /nfs/dbraw/zinc/28/69/91/338286991.db2.gz WBNBAHMFWSKCKS-UHFFFAOYSA-N -1 3 320.320 4.013 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C(F)F)cc3)n2)ccc1[O-] ZINC000436783966 338287248 /nfs/dbraw/zinc/28/72/48/338287248.db2.gz JIBRQVJYAXWZSH-UHFFFAOYSA-N -1 3 318.279 4.055 20 0 DIADHM Cc1nsc(C)c1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436786107 338287347 /nfs/dbraw/zinc/28/73/47/338287347.db2.gz RPNWPWTYBRAFBL-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM CCN(CC1CC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436784235 338287379 /nfs/dbraw/zinc/28/73/79/338287379.db2.gz KOLKIKMKLWCXJD-UHFFFAOYSA-N -1 3 323.436 4.050 20 0 DIADHM CSCc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436799093 338287869 /nfs/dbraw/zinc/28/78/69/338287869.db2.gz WRUFVRKSTPHJAG-UHFFFAOYSA-N -1 3 301.411 4.124 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436832138 338289005 /nfs/dbraw/zinc/28/90/05/338289005.db2.gz ZBSDLPZVADLHNE-QAPCUYQASA-N -1 3 309.409 4.027 20 0 DIADHM O=c1nc(-c2cc([O-])cc(F)c2)[nH]c2sc3ccccc3c21 ZINC000436829277 338289079 /nfs/dbraw/zinc/28/90/79/338289079.db2.gz SHYLHNAHWOCKDC-UHFFFAOYSA-N -1 3 312.325 4.062 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](CC)Cc2ccccc2)c([O-])c1 ZINC000436835243 338289153 /nfs/dbraw/zinc/28/91/53/338289153.db2.gz VAJYHMIBFIRBPY-QGZVFWFLSA-N -1 3 311.425 4.048 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)s2)c([O-])c1 ZINC000436835045 338289161 /nfs/dbraw/zinc/28/91/61/338289161.db2.gz SRTIPOUYVVMCDP-OAHLLOKOSA-N -1 3 315.438 4.302 20 0 DIADHM CCc1ccc(-c2nc(CSCc3ccco3)no2)c([O-])c1 ZINC000436835358 338289175 /nfs/dbraw/zinc/28/91/75/338289175.db2.gz DHCYIZKBXHATDO-UHFFFAOYSA-N -1 3 316.382 4.031 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000436833387 338289190 /nfs/dbraw/zinc/28/91/90/338289190.db2.gz YJZWIGSBILITDH-KRWDZBQOSA-N -1 3 301.430 4.166 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cccc(C)c2[O-])CC[C@H]1c1ccccc1 ZINC000436833527 338289192 /nfs/dbraw/zinc/28/91/92/338289192.db2.gz JVGUHVVSQMGNPZ-SJLPKXTDSA-N -1 3 323.436 4.357 20 0 DIADHM CCCN(C(=O)c1cccc(C)c1[O-])[C@H]1CCc2ccccc21 ZINC000436859337 338290164 /nfs/dbraw/zinc/29/01/64/338290164.db2.gz AVWHSRRPRHMYPI-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM CC[C@@H](C)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436863172 338290324 /nfs/dbraw/zinc/29/03/24/338290324.db2.gz JGEAYWQWGIQQNQ-OAHLLOKOSA-N -1 3 311.425 4.101 20 0 DIADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1cccc(OC)c1[O-] ZINC000436864289 338290386 /nfs/dbraw/zinc/29/03/86/338290386.db2.gz NGCKGDCPBOSYRH-MRXNPFEDSA-N -1 3 313.397 4.014 20 0 DIADHM COc1cc(-c2noc(-c3c(C)oc4ccccc43)n2)ccc1[O-] ZINC000436871253 338290784 /nfs/dbraw/zinc/29/07/84/338290784.db2.gz JNJRRFQQEXWCQB-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C)cc3Cl)n2)ccc1[O-] ZINC000436875047 338291144 /nfs/dbraw/zinc/29/11/44/338291144.db2.gz CBZCHBMCFLJKSY-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCO[C@@H](c1noc(-c2ccc(CC)cc2[O-])n1)c1ccccc1 ZINC000436876408 338291218 /nfs/dbraw/zinc/29/12/18/338291218.db2.gz IJYPRRDWPAMXJX-QGZVFWFLSA-N -1 3 324.380 4.131 20 0 DIADHM CCOc1cc(-c2noc(-c3sccc3Cl)n2)ccc1[O-] ZINC000436876949 338291365 /nfs/dbraw/zinc/29/13/65/338291365.db2.gz LOZVXOFOVOHXGD-UHFFFAOYSA-N -1 3 322.773 4.223 20 0 DIADHM CCc1ccc(-c2nc(-c3cccc4ncccc43)no2)c([O-])c1 ZINC000436882807 338291860 /nfs/dbraw/zinc/29/18/60/338291860.db2.gz WJUDKOBFABVQTB-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM O=c1[n-]c(CSc2cccc(O)c2)nc2c3ccccc3oc21 ZINC000436898171 338292560 /nfs/dbraw/zinc/29/25/60/338292560.db2.gz WTNLCGPHILIANH-UHFFFAOYSA-N -1 3 324.361 4.080 20 0 DIADHM Cc1cccc(-c2nc(Cc3cccc4ccccc43)no2)c1[O-] ZINC000436896382 338292562 /nfs/dbraw/zinc/29/25/62/338292562.db2.gz YFNIJZHXVGBOSA-UHFFFAOYSA-N -1 3 316.360 4.495 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c([O-])c1 ZINC000436896443 338292570 /nfs/dbraw/zinc/29/25/70/338292570.db2.gz YULGUVSMQWFDFO-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000436902175 338292694 /nfs/dbraw/zinc/29/26/94/338292694.db2.gz JEJNHFNVISCEAI-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436899876 338292701 /nfs/dbraw/zinc/29/27/01/338292701.db2.gz LBTOWLSJXSWIPQ-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)ccc1C ZINC000436903859 338292930 /nfs/dbraw/zinc/29/29/30/338292930.db2.gz VHDACVWTWIIMEC-UHFFFAOYSA-N -1 3 310.353 4.043 20 0 DIADHM CCOCc1ccc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cc1 ZINC000436911457 338293108 /nfs/dbraw/zinc/29/31/08/338293108.db2.gz QQWFNOOMCFWWBM-UHFFFAOYSA-N -1 3 324.380 4.263 20 0 DIADHM CSCc1cccc(-c2noc(-c3cc(C)ccc3[O-])n2)c1 ZINC000436924552 338293710 /nfs/dbraw/zinc/29/37/10/338293710.db2.gz GRLAUEAKEGLSMJ-UHFFFAOYSA-N -1 3 312.394 4.281 20 0 DIADHM Cc1cc(C(=O)N[C@@H](CC(C)C)c2cccs2)ccc1[O-] ZINC000436927549 338293821 /nfs/dbraw/zinc/29/38/21/338293821.db2.gz SCCNWNACHPKCRE-AWEZNQCLSA-N -1 3 303.427 4.279 20 0 DIADHM Cc1ccc(-c2nc([C@H](C)Oc3ccccc3)no2)c([O-])c1C ZINC000436928356 338293989 /nfs/dbraw/zinc/29/39/89/338293989.db2.gz ASBHHIGOQVQSFI-ZDUSSCGKSA-N -1 3 310.353 4.199 20 0 DIADHM Cc1ccc(-c2nc([C@H](C)c3c(F)cccc3F)no2)c([O-])c1 ZINC000436928857 338294075 /nfs/dbraw/zinc/29/40/75/338294075.db2.gz CMFVSGIGPZBFBQ-SNVBAGLBSA-N -1 3 316.307 4.181 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000436928135 338294081 /nfs/dbraw/zinc/29/40/81/338294081.db2.gz QBRCLQZOTNMMJO-VYDXJSESSA-N -1 3 309.409 4.107 20 0 DIADHM COc1cccc(-c2nc(-c3ccc4sccc4c3)no2)c1[O-] ZINC000436932382 338294306 /nfs/dbraw/zinc/29/43/06/338294306.db2.gz NNVLJOCSSWNUDN-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM CCCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ccn1 ZINC000436936176 338294515 /nfs/dbraw/zinc/29/45/15/338294515.db2.gz MTOWMUBHGWUGMY-UHFFFAOYSA-N -1 3 324.302 4.011 20 0 DIADHM Cc1cc(C(=O)Nc2cc(C)c(C)c3ncccc23)ccc1[O-] ZINC000436939565 338294596 /nfs/dbraw/zinc/29/45/96/338294596.db2.gz OUDNMGRZMMSXBR-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436938075 338294680 /nfs/dbraw/zinc/29/46/80/338294680.db2.gz JWOVLNQYROQPEL-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000436940168 338294855 /nfs/dbraw/zinc/29/48/55/338294855.db2.gz UMUHPJYOOAEHST-GOSISDBHSA-N -1 3 311.425 4.184 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cccc(-c3cscn3)c2)no1 ZINC000436946506 338295132 /nfs/dbraw/zinc/29/51/32/338295132.db2.gz BGJJWVMWVUBMAS-UHFFFAOYSA-N -1 3 321.361 4.233 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c([O-])c1C ZINC000436948697 338295310 /nfs/dbraw/zinc/29/53/10/338295310.db2.gz KHLLIRGSHKCACF-NRFANRHFSA-N -1 3 323.436 4.203 20 0 DIADHM CCCN(C(=O)c1ccc([O-])c(C)c1)[C@H]1CCCc2cccnc21 ZINC000436953587 338295547 /nfs/dbraw/zinc/29/55/47/338295547.db2.gz ABUIMLYYOVQNEG-KRWDZBQOSA-N -1 3 324.424 4.025 20 0 DIADHM Cc1cc(C(=O)N[C@@H](C)c2cc3cccc(F)c3o2)ccc1[O-] ZINC000436988178 338296726 /nfs/dbraw/zinc/29/67/26/338296726.db2.gz WEDTVQKZRQPYRE-NSHDSACASA-N -1 3 313.328 4.077 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC000436995366 338297110 /nfs/dbraw/zinc/29/71/10/338297110.db2.gz CMVYHCGIJMKUPW-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM CC1=C[C@@H](C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436994132 338297256 /nfs/dbraw/zinc/29/72/56/338297256.db2.gz BASBXPLBYCYNHB-OAHLLOKOSA-N -1 3 321.420 4.021 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3CCSc4ccccc43)n2)cc1 ZINC000438755603 338351678 /nfs/dbraw/zinc/35/16/78/338351678.db2.gz QKQXYZXQSRSFJG-AWEZNQCLSA-N -1 3 310.378 4.070 20 0 DIADHM Cc1ccc2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc2c1C ZINC000439093017 338360795 /nfs/dbraw/zinc/36/07/95/338360795.db2.gz FQOLTZPSBROJNM-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCc2ccccc2C1 ZINC000439098918 338360928 /nfs/dbraw/zinc/36/09/28/338360928.db2.gz RGFLNBMJAJSBLP-SFHVURJKSA-N -1 3 315.800 4.179 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000439095095 338360954 /nfs/dbraw/zinc/36/09/54/338360954.db2.gz JZOGWCFRXKQONG-WDEREUQCSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000441012071 338400896 /nfs/dbraw/zinc/40/08/96/338400896.db2.gz RCQMREJCAHTUNI-UHFFFAOYSA-N -1 3 321.254 4.410 20 0 DIADHM C[C@@H](N(C)C(=O)CCc1ccc2ccccc2c1[O-])C1(C)CC1 ZINC000450072189 338665795 /nfs/dbraw/zinc/66/57/95/338665795.db2.gz GYWSQNQHVGJWQS-CQSZACIVSA-N -1 3 311.425 4.125 20 0 DIADHM CC[C@]1(C)CCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450104813 338667210 /nfs/dbraw/zinc/66/72/10/338667210.db2.gz ZHBCHWFEDLXOIS-HXUWFJFHSA-N -1 3 311.425 4.127 20 0 DIADHM CC[C@@H](CC(F)(F)F)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450942076 338713521 /nfs/dbraw/zinc/71/35/21/338713521.db2.gz UJKFLSJLDODAOA-MNOVXSKESA-N -1 3 315.335 4.211 20 0 DIADHM C[C@@H]1CC2(CCC2)CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000451203243 338725918 /nfs/dbraw/zinc/72/59/18/338725918.db2.gz YXKRAFYKLPPYRW-OAHLLOKOSA-N -1 3 323.436 4.269 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c(C)s1 ZINC000461159316 339059855 /nfs/dbraw/zinc/05/98/55/339059855.db2.gz KDSKXCGBBPHGCU-UHFFFAOYSA-N -1 3 315.847 4.128 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2nc3c(s2)CCCC3(C)C)on1 ZINC000461222552 339060615 /nfs/dbraw/zinc/06/06/15/339060615.db2.gz YNJZIXSKNMWEIZ-UHFFFAOYSA-N -1 3 319.430 4.121 20 0 DIADHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462720626 339084714 /nfs/dbraw/zinc/08/47/14/339084714.db2.gz QGZITZAMIWNVMZ-NXEZZACHSA-N -1 3 324.273 4.096 20 0 DIADHM C[C@@H](c1ccccc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468420560 339262595 /nfs/dbraw/zinc/26/25/95/339262595.db2.gz PQLVBQIKKSOXNW-AWEZNQCLSA-N -1 3 315.388 4.074 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)c(F)c1 ZINC000468521942 339265326 /nfs/dbraw/zinc/26/53/26/339265326.db2.gz GDYKLOGCHUMJDO-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cccc2ncccc21 ZINC000468555987 339266240 /nfs/dbraw/zinc/26/62/40/339266240.db2.gz UHKNEHMCOSSLQT-UHFFFAOYSA-N -1 3 324.355 4.041 20 0 DIADHM CCCCC[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469001836 339277218 /nfs/dbraw/zinc/27/72/18/339277218.db2.gz PAFWLAXJHVJNQM-INIZCTEOSA-N -1 3 321.436 4.425 20 0 DIADHM CC(C)C[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469161615 339281760 /nfs/dbraw/zinc/28/17/60/339281760.db2.gz BLRRVTXCZSQZHW-INIZCTEOSA-N -1 3 321.436 4.139 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1csc(Cl)c1 ZINC000469186196 339282496 /nfs/dbraw/zinc/28/24/96/339282496.db2.gz GAFAOOXPHAIATE-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)c2c([O-])cccc21 ZINC000469278276 339285013 /nfs/dbraw/zinc/28/50/13/339285013.db2.gz VCHDLJJYQDKTNU-SNVBAGLBSA-N -1 3 319.763 4.339 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)c2c([O-])cccc21 ZINC000469309642 339285839 /nfs/dbraw/zinc/28/58/39/339285839.db2.gz VFNVPIXTKDMSBJ-SNVBAGLBSA-N -1 3 319.763 4.339 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cc(C)c3ccccc3n2)n1 ZINC000469804827 339301312 /nfs/dbraw/zinc/30/13/12/339301312.db2.gz STWAEFIXFHLAAF-LBPRGKRZSA-N -1 3 311.410 4.201 20 0 DIADHM CCCOc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472035738 339359736 /nfs/dbraw/zinc/35/97/36/339359736.db2.gz UTEMPRNBXRVYJG-CYBMUJFWSA-N -1 3 303.377 4.171 20 0 DIADHM CCCOc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472035739 339359830 /nfs/dbraw/zinc/35/98/30/339359830.db2.gz UTEMPRNBXRVYJG-ZDUSSCGKSA-N -1 3 303.377 4.171 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(Cl)cc2OC(F)F)c1 ZINC000472041452 339360271 /nfs/dbraw/zinc/36/02/71/339360271.db2.gz FXWPBNJPKDLAQD-UHFFFAOYSA-N -1 3 317.694 4.398 20 0 DIADHM [O-]c1cc(F)cc(CNc2cccc(OC3CCCC3)c2)c1 ZINC000472052739 339360977 /nfs/dbraw/zinc/36/09/77/339360977.db2.gz MOXRZZNOCIBJQY-UHFFFAOYSA-N -1 3 301.361 4.465 20 0 DIADHM O=C(CCSCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000472441214 339371789 /nfs/dbraw/zinc/37/17/89/339371789.db2.gz VPUUEVSBLXMDDS-UHFFFAOYSA-N -1 3 321.829 4.308 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)c2ccc3[nH]ccc3c2)c1 ZINC000472972618 339379596 /nfs/dbraw/zinc/37/95/96/339379596.db2.gz RWELYNSMIICRTQ-UHFFFAOYSA-N -1 3 308.381 4.103 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)[C@H](c1ccccc1)C(F)(F)F ZINC000473130703 339381885 /nfs/dbraw/zinc/38/18/85/339381885.db2.gz CYHFJHWHNAVSJG-OAHLLOKOSA-N -1 3 313.294 4.267 20 0 DIADHM CN(Cc1cccc(C(F)(F)F)c1)Cc1cc([O-])cc(F)c1 ZINC000473139944 339382348 /nfs/dbraw/zinc/38/23/48/339382348.db2.gz OLXLFEHOVWOUSN-UHFFFAOYSA-N -1 3 313.294 4.182 20 0 DIADHM CCCC[C@H](CC)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000473263290 339384034 /nfs/dbraw/zinc/38/40/34/339384034.db2.gz LDOXKURPASYACO-NSHDSACASA-N -1 3 317.351 4.357 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000476146370 339470259 /nfs/dbraw/zinc/47/02/59/339470259.db2.gz IPXCBGFHOIIOFH-CYBMUJFWSA-N -1 3 321.298 4.080 20 0 DIADHM Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1ccccc1[O-] ZINC000478490382 339516521 /nfs/dbraw/zinc/51/65/21/339516521.db2.gz JXZKLMYSZATRGJ-UHFFFAOYSA-N -1 3 312.413 4.411 20 0 DIADHM CC(C)c1occc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000480325199 339569148 /nfs/dbraw/zinc/56/91/48/339569148.db2.gz KDEZOIFJRZWINT-UHFFFAOYSA-N -1 3 313.275 4.380 20 0 DIADHM CCCCn1ncc(NCc2cc([O-])cc(F)c2)c1C(C)C ZINC000480478788 339574360 /nfs/dbraw/zinc/57/43/60/339574360.db2.gz UMASDLALXAUNAY-UHFFFAOYSA-N -1 3 305.397 4.263 20 0 DIADHM CC(C)c1cc(C(=O)N(C)CC(F)(F)F)c([O-])c(C(C)C)c1 ZINC000480646546 339581027 /nfs/dbraw/zinc/58/10/27/339581027.db2.gz KZDFKSMWSYWBJD-UHFFFAOYSA-N -1 3 317.351 4.273 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000486952348 339739797 /nfs/dbraw/zinc/73/97/97/339739797.db2.gz BFKFKSIXTASYPA-CQSZACIVSA-N -1 3 320.392 4.066 20 0 DIADHM COc1ccccc1[C@H](C)S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000488824779 339794518 /nfs/dbraw/zinc/79/45/18/339794518.db2.gz ZVLBDDNYMRGYST-RYUDHWBXSA-N -1 3 304.415 4.055 20 0 DIADHM Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000490699899 339837990 /nfs/dbraw/zinc/83/79/90/339837990.db2.gz ZKGCPELTJAFWKQ-UHFFFAOYSA-N -1 3 321.829 4.393 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000499550528 340039303 /nfs/dbraw/zinc/03/93/03/340039303.db2.gz YRKQDNJWCVQPQA-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000499550526 340039329 /nfs/dbraw/zinc/03/93/29/340039329.db2.gz YRKQDNJWCVQPQA-INIZCTEOSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1[O-] ZINC000499698029 340042974 /nfs/dbraw/zinc/04/29/74/340042974.db2.gz LBVAVZWYUNYPKB-UHFFFAOYSA-N -1 3 324.405 4.440 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(Oc3ccccn3)c2)ccc1[O-] ZINC000499833161 340045480 /nfs/dbraw/zinc/04/54/80/340045480.db2.gz LTYVYNFVZBCORH-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)ccc1[O-] ZINC000500408445 340057200 /nfs/dbraw/zinc/05/72/00/340057200.db2.gz NNZBWEIAWHBKAS-UHFFFAOYSA-N -1 3 317.360 4.269 20 0 DIADHM CC(C)c1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000501095024 340074245 /nfs/dbraw/zinc/07/42/45/340074245.db2.gz OYBNJAKKTNXIMF-UHFFFAOYSA-N -1 3 303.789 4.099 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1 ZINC000501138561 340074993 /nfs/dbraw/zinc/07/49/93/340074993.db2.gz ZZPKFHBPYZTQQH-NRFANRHFSA-N -1 3 323.436 4.149 20 0 DIADHM COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccc1F ZINC000501973197 340091762 /nfs/dbraw/zinc/09/17/62/340091762.db2.gz GOBCDWIQBALSDU-UHFFFAOYSA-N -1 3 317.360 4.090 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000501974560 340091893 /nfs/dbraw/zinc/09/18/93/340091893.db2.gz HNVFVZLNWDTCJE-NSHDSACASA-N -1 3 311.372 4.454 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2cccc(F)c2F)c([O-])c1 ZINC000501978189 340091993 /nfs/dbraw/zinc/09/19/93/340091993.db2.gz NZVRDJCSSLDXMR-UHFFFAOYSA-N -1 3 319.351 4.149 20 0 DIADHM Cc1ccc([O-])c(CNC2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000504095430 340140767 /nfs/dbraw/zinc/14/07/67/340140767.db2.gz GVRDQJONEWRHAL-UHFFFAOYSA-N -1 3 323.223 4.181 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCC2)c2ccccc21 ZINC000506192675 340188258 /nfs/dbraw/zinc/18/82/58/340188258.db2.gz SZOJLDXZEIIGGI-UHFFFAOYSA-N -1 3 313.784 4.128 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)CCCC(F)(F)F)c([O-])c1 ZINC000506225627 340189245 /nfs/dbraw/zinc/18/92/45/340189245.db2.gz WUGNKMTXUAMFGV-UHFFFAOYSA-N -1 3 303.324 4.361 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2c(F)ccc(F)c2F)c([O-])c1 ZINC000506238213 340189688 /nfs/dbraw/zinc/18/96/88/340189688.db2.gz NNVSFEMBDGZPFJ-UHFFFAOYSA-N -1 3 323.314 4.359 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2cc(F)c(F)cc2F)c([O-])c1 ZINC000506243964 340189852 /nfs/dbraw/zinc/18/98/52/340189852.db2.gz QTCRVEUQXHHIBT-UHFFFAOYSA-N -1 3 323.314 4.359 20 0 DIADHM CN(C)c1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000506253053 340190059 /nfs/dbraw/zinc/19/00/59/340190059.db2.gz IWKPCQSNDKEZJG-UHFFFAOYSA-N -1 3 312.413 4.008 20 0 DIADHM [O-]c1ccc(F)c(CNc2cccc(-c3nccs3)c2)c1F ZINC000506831885 340202423 /nfs/dbraw/zinc/20/24/23/340202423.db2.gz HBSANJUCULNFLF-UHFFFAOYSA-N -1 3 318.348 4.406 20 0 DIADHM Cc1ccc(Cc2nc(C(=O)Nc3ccccc3[O-])cs2)cc1 ZINC000507026107 340205810 /nfs/dbraw/zinc/20/58/10/340205810.db2.gz NEMGIWSEXMBLRH-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM COc1ccc([C@@H](C)N(C)Cc2cccc([O-])c2Cl)cc1 ZINC000507104819 340207593 /nfs/dbraw/zinc/20/75/93/340207593.db2.gz SRYNEKJTYAEGGF-GFCCVEGCSA-N -1 3 305.805 4.247 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000507160841 340210165 /nfs/dbraw/zinc/21/01/65/340210165.db2.gz NOEUZMLDDBRFBQ-INIZCTEOSA-N -1 3 302.805 4.086 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000507160842 340210320 /nfs/dbraw/zinc/21/03/20/340210320.db2.gz NOEUZMLDDBRFBQ-MRXNPFEDSA-N -1 3 302.805 4.086 20 0 DIADHM CCN(Cc1c(F)ccc([O-])c1F)[C@H](C)c1cccc(OC)c1 ZINC000507331561 340217410 /nfs/dbraw/zinc/21/74/10/340217410.db2.gz FUDYOWOYQOHCLH-GFCCVEGCSA-N -1 3 321.367 4.262 20 0 DIADHM COc1ccc([C@@H]2CCN(Cc3cccc([O-])c3Cl)C2)cc1 ZINC000507998275 340236952 /nfs/dbraw/zinc/23/69/52/340236952.db2.gz LEFKHZDUNOVAFN-CQSZACIVSA-N -1 3 317.816 4.044 20 0 DIADHM [O-]c1cccc(CN2CC[C@H](c3ccccc3F)C2)c1Cl ZINC000508355969 340242737 /nfs/dbraw/zinc/24/27/37/340242737.db2.gz UKWWHYIDXDJOHD-LBPRGKRZSA-N -1 3 305.780 4.174 20 0 DIADHM CC(C)[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508769059 340252760 /nfs/dbraw/zinc/25/27/60/340252760.db2.gz IWNCNUKHFZVQHB-SFHVURJKSA-N -1 3 317.816 4.102 20 0 DIADHM C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000508795967 340253323 /nfs/dbraw/zinc/25/33/23/340253323.db2.gz OGWUFLDEUXLYAA-GFCCVEGCSA-N -1 3 315.800 4.129 20 0 DIADHM CC(C)Cn1ccc2cc(NC(=O)c3cccc([O-])c3)ccc21 ZINC000509070935 340260243 /nfs/dbraw/zinc/26/02/43/340260243.db2.gz PCBUUOFBTVYWAP-UHFFFAOYSA-N -1 3 308.381 4.255 20 0 DIADHM O=C(c1cccc([O-])c1)N1CC2(CCCC2)c2c1cccc2F ZINC000509066594 340260302 /nfs/dbraw/zinc/26/03/02/340260302.db2.gz JEIOEGQZCNAQAO-UHFFFAOYSA-N -1 3 311.356 4.004 20 0 DIADHM CCc1ccc(CC)c(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000509124013 340261880 /nfs/dbraw/zinc/26/18/80/340261880.db2.gz NKLDVFSQQKBIJP-UHFFFAOYSA-N -1 3 317.816 4.352 20 0 DIADHM CC[C@@H](C)[C@@H](C)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000509292082 340265488 /nfs/dbraw/zinc/26/54/88/340265488.db2.gz YNDVASLCFSUMQW-VXGBXAGGSA-N -1 3 309.837 4.014 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@H]1CCCC[C@H]1C ZINC000509321346 340266219 /nfs/dbraw/zinc/26/62/19/340266219.db2.gz JPOJMVOVGNSQHE-WBMJQRKESA-N -1 3 309.837 4.015 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N(CC1CC1)C1CCCCC1 ZINC000509323368 340266272 /nfs/dbraw/zinc/26/62/72/340266272.db2.gz RKTAAOTVZSWZQB-UHFFFAOYSA-N -1 3 321.848 4.159 20 0 DIADHM CC(C)(NC(=O)c1cccc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000509336986 340266578 /nfs/dbraw/zinc/26/65/78/340266578.db2.gz YQLQERVLUDGJBR-UHFFFAOYSA-N -1 3 323.314 4.076 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccccc2CC(F)(F)F)c1F ZINC000509498997 340271513 /nfs/dbraw/zinc/27/15/13/340271513.db2.gz IWYKWZOZYDRAQU-UHFFFAOYSA-N -1 3 317.257 4.387 20 0 DIADHM [O-]c1ccc(F)c(CNc2cc(F)ccc2OC(F)F)c1F ZINC000509506391 340271734 /nfs/dbraw/zinc/27/17/34/340271734.db2.gz IRFDQAXBIYLDHS-UHFFFAOYSA-N -1 3 319.229 4.023 20 0 DIADHM Cc1ccc(Cc2ccccn2)cc1NCc1cc([O-])cc(F)c1 ZINC000509960761 340283957 /nfs/dbraw/zinc/28/39/57/340283957.db2.gz WOKNTYKTPOIEKK-UHFFFAOYSA-N -1 3 322.383 4.438 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)cs1 ZINC000303000500 340294534 /nfs/dbraw/zinc/29/45/34/340294534.db2.gz YEYIWDGGWSFRMG-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3cccc(OC)c3[O-])ccc21 ZINC000303060245 340298968 /nfs/dbraw/zinc/29/89/68/340298968.db2.gz UMODWTPYWGFYTK-UHFFFAOYSA-N -1 3 324.380 4.018 20 0 DIADHM Cc1cccc(C(=O)N(C)CCc2cccc3ccccc32)c1[O-] ZINC000303085023 340301049 /nfs/dbraw/zinc/30/10/49/340301049.db2.gz BBMOZJSXWVZKTB-UHFFFAOYSA-N -1 3 319.404 4.169 20 0 DIADHM CCCc1nc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)co1 ZINC000510783685 340310898 /nfs/dbraw/zinc/31/08/98/340310898.db2.gz RHZHOZLLNRSNGE-UHFFFAOYSA-N -1 3 317.147 4.325 20 0 DIADHM O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1[O-] ZINC000511441546 340327492 /nfs/dbraw/zinc/32/74/92/340327492.db2.gz CVVOIVHDMFEFHR-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c1[O-] ZINC000303938366 340354915 /nfs/dbraw/zinc/35/49/15/340354915.db2.gz YGNAPQBCIBDNIZ-ZDUSSCGKSA-N -1 3 317.816 4.057 20 0 DIADHM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc([O-])c1Cl ZINC000512677203 340372599 /nfs/dbraw/zinc/37/25/99/340372599.db2.gz HTPKDTKFHQKYIZ-GXSJLCMTSA-N -1 3 307.743 4.208 20 0 DIADHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc([O-])c1Cl ZINC000512677206 340372660 /nfs/dbraw/zinc/37/26/60/340372660.db2.gz HTPKDTKFHQKYIZ-KOLCDFICSA-N -1 3 307.743 4.208 20 0 DIADHM CCCOc1ccc(CNCc2c(F)ccc([O-])c2F)c(C)c1 ZINC000513145726 340395071 /nfs/dbraw/zinc/39/50/71/340395071.db2.gz XPHIQNRYUGWTFR-UHFFFAOYSA-N -1 3 321.367 4.057 20 0 DIADHM Cc1ccc2[nH]cc(CCC(=O)Nc3c(C)cccc3[O-])c2c1 ZINC000183045590 340486253 /nfs/dbraw/zinc/48/62/53/340486253.db2.gz ATSXZQXAROHTIV-UHFFFAOYSA-N -1 3 308.381 4.062 20 0 DIADHM Cc1cccc(C2(C(=O)Nc3ccc([O-])cc3F)CCCC2)c1 ZINC000183253195 340487278 /nfs/dbraw/zinc/48/72/78/340487278.db2.gz GUXYNHCELLBGDE-UHFFFAOYSA-N -1 3 313.372 4.290 20 0 DIADHM C[C@H]1CCN(C(=O)c2coc3ccccc23)c2c([O-])cccc21 ZINC000186259689 340510033 /nfs/dbraw/zinc/51/00/33/340510033.db2.gz KMKAMZWFVJYMMC-LBPRGKRZSA-N -1 3 307.349 4.292 20 0 DIADHM CCCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000521707216 340529507 /nfs/dbraw/zinc/52/95/07/340529507.db2.gz BXVNYQDVBNONHU-UHFFFAOYSA-N -1 3 312.413 4.189 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)C[C@H](C)c2ccccc2)c1[O-] ZINC000522631533 340606148 /nfs/dbraw/zinc/60/61/48/340606148.db2.gz CIVZXPSJMDQBSZ-NSHDSACASA-N -1 3 303.789 4.486 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)C[C@@H](C)c2ccccc2)c1[O-] ZINC000522631532 340606177 /nfs/dbraw/zinc/60/61/77/340606177.db2.gz CIVZXPSJMDQBSZ-LLVKDONJSA-N -1 3 303.789 4.486 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2Cc3ccccc3S2)c1[O-] ZINC000522632087 340606188 /nfs/dbraw/zinc/60/61/88/340606188.db2.gz HPEXZRWGLZMPLW-AWEZNQCLSA-N -1 3 319.813 4.010 20 0 DIADHM Cc1cccc([C@H](C)C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000524147924 340648473 /nfs/dbraw/zinc/64/84/73/340648473.db2.gz VAVGGLSGMUHUQE-LBPRGKRZSA-N -1 3 303.789 4.405 20 0 DIADHM O=C(CCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000243377376 340713021 /nfs/dbraw/zinc/71/30/21/340713021.db2.gz MESFEUTVMPYKGE-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM Cc1cc(C)nc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000326423410 340714651 /nfs/dbraw/zinc/71/46/51/340714651.db2.gz RSXCURHEFXDXFQ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCc1ccsc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125359047 340803807 /nfs/dbraw/zinc/80/38/07/340803807.db2.gz YRRMIXJOEDLKFT-UHFFFAOYSA-N -1 3 315.316 4.287 20 0 DIADHM Cc1ccccc1-c1noc(CCCc2ccc([O-])c(F)c2)n1 ZINC000564213475 340863506 /nfs/dbraw/zinc/86/35/06/340863506.db2.gz WKZKTHDBUVMAAN-UHFFFAOYSA-N -1 3 312.344 4.065 20 0 DIADHM CCc1ccc(C(C)(C)C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128344275 340875754 /nfs/dbraw/zinc/87/57/54/340875754.db2.gz SOJMWWVAYPXSPI-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM CCN(c1ccc(C(=O)Nc2cccc([O-])c2F)cc1)C(C)C ZINC000128606116 340900018 /nfs/dbraw/zinc/90/00/18/340900018.db2.gz MWLUZAMXGKCEHV-UHFFFAOYSA-N -1 3 316.376 4.018 20 0 DIADHM O=C(Nc1ncc(C2CCCCC2)s1)c1cccc([O-])c1 ZINC000541130625 340959831 /nfs/dbraw/zinc/95/98/31/340959831.db2.gz GBPQNDFADSMLHF-UHFFFAOYSA-N -1 3 302.399 4.149 20 0 DIADHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000541169592 340960501 /nfs/dbraw/zinc/96/05/01/340960501.db2.gz JDOODLMHACKLRE-MRXNPFEDSA-N -1 3 319.401 4.287 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(Cl)ccc2o1 ZINC000129670375 340980098 /nfs/dbraw/zinc/98/00/98/340980098.db2.gz VUXXVJFHQBWJAT-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000070579401 341001433 /nfs/dbraw/zinc/00/14/33/341001433.db2.gz NSSJXWOGZOVAEV-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1cccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)c1[O-] ZINC000544436165 341082134 /nfs/dbraw/zinc/08/21/34/341082134.db2.gz GTCYKAUAACGPBI-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM C[C@H](Cc1noc(-c2cc(-c3ccco3)[n-]n2)n1)c1ccccc1 ZINC000545037718 341105632 /nfs/dbraw/zinc/10/56/32/341105632.db2.gz VZXMUWRVDRWZFA-GFCCVEGCSA-N -1 3 320.352 4.066 20 0 DIADHM C[C@H](Cc1noc(-c2cc(-c3ccco3)n[n-]2)n1)c1ccccc1 ZINC000545037718 341105633 /nfs/dbraw/zinc/10/56/33/341105633.db2.gz VZXMUWRVDRWZFA-GFCCVEGCSA-N -1 3 320.352 4.066 20 0 DIADHM C[C@@H]1C[C@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000545066261 341106770 /nfs/dbraw/zinc/10/67/70/341106770.db2.gz FRLJHBRDDHHFKP-IUODEOHRSA-N -1 3 306.365 4.156 20 0 DIADHM C[C@@H]1C[C@@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000545067503 341106861 /nfs/dbraw/zinc/10/68/61/341106861.db2.gz WBPRQJHAJYEAKQ-DOMZBBRYSA-N -1 3 322.364 4.145 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2CSC)c1 ZINC000545409323 341124222 /nfs/dbraw/zinc/12/42/22/341124222.db2.gz CLJCMOWWUGDURR-UHFFFAOYSA-N -1 3 301.411 4.070 20 0 DIADHM CCC(CC)(NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000564299833 341153865 /nfs/dbraw/zinc/15/38/65/341153865.db2.gz ZUHVRZQGQUZFDB-UHFFFAOYSA-N -1 3 304.821 4.246 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cnc3ccsc3c2)c2c([O-])cccc21 ZINC000547367973 341209212 /nfs/dbraw/zinc/20/92/12/341209212.db2.gz YZFHLMOCSXJXAV-LLVKDONJSA-N -1 3 324.405 4.156 20 0 DIADHM C[C@@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccsc1 ZINC000134215155 341209651 /nfs/dbraw/zinc/20/96/51/341209651.db2.gz OWIYECDMYCRZQZ-MRVPVSSYSA-N -1 3 315.316 4.215 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(Br)c(C)c2)c([O-])c1 ZINC000135503693 341241063 /nfs/dbraw/zinc/24/10/63/341241063.db2.gz IXSHHZLPKKQRRG-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CCc1cccc(C(=O)N(CC)[C@@H](C)Cc2ccsc2)c1[O-] ZINC000548316163 341255638 /nfs/dbraw/zinc/25/56/38/341255638.db2.gz DLETZTXUFYYOLF-ZDUSSCGKSA-N -1 3 317.454 4.109 20 0 DIADHM Cc1ccc2c(CSc3nccn3C(C)C)ccc([O-])c2n1 ZINC000548868533 341278910 /nfs/dbraw/zinc/27/89/10/341278910.db2.gz KXOLGHKNKSLTBD-UHFFFAOYSA-N -1 3 313.426 4.319 20 0 DIADHM O=C([N-]c1cc(Br)ccc1F)c1sccc1F ZINC000549532185 341296575 /nfs/dbraw/zinc/29/65/75/341296575.db2.gz OJWKWJZWSKWXJM-UHFFFAOYSA-N -1 3 318.142 4.041 20 0 DIADHM [O-]c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000549821539 341304150 /nfs/dbraw/zinc/30/41/50/341304150.db2.gz BJILOMOTAHRPTF-AWEZNQCLSA-N -1 3 317.326 4.086 20 0 DIADHM O=C([N-]c1cc(C(F)(F)F)ccc1F)c1sccc1F ZINC000550247170 341313279 /nfs/dbraw/zinc/31/32/79/341313279.db2.gz ALIRACOGOGPHGG-UHFFFAOYSA-N -1 3 307.243 4.297 20 0 DIADHM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc([O-])ccc1Cl ZINC000550627129 341319903 /nfs/dbraw/zinc/31/99/03/341319903.db2.gz FULBTOUZZYIOKO-YOEHRIQHSA-N -1 3 315.800 4.112 20 0 DIADHM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000550647723 341320442 /nfs/dbraw/zinc/32/04/42/341320442.db2.gz BHHSNPGRPBMXQT-HNNXBMFYSA-N -1 3 311.809 4.112 20 0 DIADHM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc([O-])cc2F)c1 ZINC000552422004 341392804 /nfs/dbraw/zinc/39/28/04/341392804.db2.gz XFZYLCSBPKFIAA-ZDUSSCGKSA-N -1 3 315.388 4.472 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000552435409 341393612 /nfs/dbraw/zinc/39/36/12/341393612.db2.gz GAOHVVCGHWWDMO-KOLCDFICSA-N -1 3 323.726 4.066 20 0 DIADHM C[C@H](SCc1ccccc1)C(=O)Nc1c([O-])cccc1Cl ZINC000552779845 341404151 /nfs/dbraw/zinc/40/41/51/341404151.db2.gz JLSBBCPLRKAEFC-NSHDSACASA-N -1 3 321.829 4.306 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000552958776 341410609 /nfs/dbraw/zinc/41/06/09/341410609.db2.gz BJOXBZSSPXJOGE-QXAKKESOSA-N -1 3 321.420 4.109 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000552958774 341410650 /nfs/dbraw/zinc/41/06/50/341410650.db2.gz BJOXBZSSPXJOGE-BHIYHBOVSA-N -1 3 321.420 4.109 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2ncsc2C(C)C)on1 ZINC000554809194 341464786 /nfs/dbraw/zinc/46/47/86/341464786.db2.gz GYRLRSHIXSQIRY-UHFFFAOYSA-N -1 3 307.419 4.410 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1SCCc2ccccc21 ZINC000153477388 341541885 /nfs/dbraw/zinc/54/18/85/341541885.db2.gz QFPPGPJDWVNGIS-HNNXBMFYSA-N -1 3 319.813 4.015 20 0 DIADHM O=C(Nc1ccc2c(c1)COC2)c1cc2cc(Cl)sc2[n-]1 ZINC000566376531 341555936 /nfs/dbraw/zinc/55/59/36/341555936.db2.gz YDUDGUZFWYAFFI-UHFFFAOYSA-N -1 3 318.785 4.165 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H]2CCCC[C@H]12 ZINC000566886646 341570771 /nfs/dbraw/zinc/57/07/71/341570771.db2.gz WLIORXBEFYYFLL-KFNAQCHYSA-N -1 3 307.821 4.086 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153676966 341576806 /nfs/dbraw/zinc/57/68/06/341576806.db2.gz YZNGCIUVGAUVQP-IUCAKERBSA-N -1 3 321.726 4.353 20 0 DIADHM CCSc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192731910 341884893 /nfs/dbraw/zinc/88/48/93/341884893.db2.gz KNGFFTGDFZPIBM-STQMWFEESA-N -1 3 317.458 4.014 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000577235912 341899443 /nfs/dbraw/zinc/89/94/43/341899443.db2.gz WBQAMJAFASJQCT-CMDGGOBGSA-N -1 3 318.332 4.283 20 0 DIADHM COc1ccc([C@H](C)CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000577444481 341910069 /nfs/dbraw/zinc/91/00/69/341910069.db2.gz FOOBOTFZRBSNNF-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM CCCc1occc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000337064032 521611141 /nfs/dbraw/zinc/61/11/41/521611141.db2.gz VKLMLEVKBLZLCX-UHFFFAOYSA-N -1 3 319.411 4.064 20 0 DIADHM CC[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226454712 523089776 /nfs/dbraw/zinc/08/97/76/523089776.db2.gz JUBGHRRASDMABI-BBRMVZONSA-N -1 3 309.837 4.368 20 0 DIADHM O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccccc1[O-] ZINC000180648740 526348300 /nfs/dbraw/zinc/34/83/00/526348300.db2.gz HZBSCHSDMHEXJQ-UHFFFAOYSA-N -1 3 301.308 4.090 20 0 DIADHM Cc1noc([N-]C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1C ZINC000267128221 526639961 /nfs/dbraw/zinc/63/99/61/526639961.db2.gz VJXWHCJZEGAEBW-AWEZNQCLSA-N -1 3 316.401 4.129 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1csc(-c2ccoc2)n1 ZINC000108172807 527118496 /nfs/dbraw/zinc/11/84/96/527118496.db2.gz HGWQNMWPYSTGSJ-UHFFFAOYSA-N -1 3 324.283 4.073 20 0 DIADHM CCc1c([N-]C(=O)c2sccc2Cl)onc1C(F)(F)F ZINC000288082872 536079068 /nfs/dbraw/zinc/07/90/68/536079068.db2.gz ZALQVQDFTMZDFE-UHFFFAOYSA-N -1 3 324.711 4.223 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2ccccc2)no1 ZINC000109037010 1035740740 /nfs/dbraw/zinc/74/07/40/1035740740.db2.gz VSSQFSYGJNCNFH-UHFFFAOYSA-N -1 3 302.333 4.186 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1C(F)(F)F ZINC000153624767 1036106857 /nfs/dbraw/zinc/10/68/57/1036106857.db2.gz GDJQPSSZURUTEP-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1c(Cl)cc(F)cc1Cl ZINC000683331034 1036148360 /nfs/dbraw/zinc/14/83/60/1036148360.db2.gz DPVVSCYEEBOKLF-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533616734 1036348239 /nfs/dbraw/zinc/34/82/39/1036348239.db2.gz VTTNZOPVZMBCCP-WDEREUQCSA-N -1 3 307.802 4.158 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(C(F)F)CCCC1 ZINC000579905707 1036370359 /nfs/dbraw/zinc/37/03/59/1036370359.db2.gz JXPCCZNNLBLLEL-UHFFFAOYSA-N -1 3 323.261 4.175 20 0 DIADHM [O-]c1cccc(Nc2cccc3cc[nH]c32)c1Br ZINC001210216076 1036533486 /nfs/dbraw/zinc/53/34/86/1036533486.db2.gz BOSBRHNRKLYQOK-UHFFFAOYSA-N -1 3 303.159 4.380 20 0 DIADHM COC(=O)c1cc(F)c(C)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210223591 1036539574 /nfs/dbraw/zinc/53/95/74/1036539574.db2.gz UEMXNULUKPXREK-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM Nc1ccc(OC(F)(F)F)cc1Nc1cccc(Cl)c1[O-] ZINC001210223477 1036541690 /nfs/dbraw/zinc/54/16/90/1036541690.db2.gz QIJBCFGXUUGNDF-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM CC[C@@]1(C)CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000568066044 1036912028 /nfs/dbraw/zinc/91/20/28/1036912028.db2.gz OABBMKWUYJGMOK-ZFWWWQNUSA-N -1 3 316.228 4.241 20 0 DIADHM COC(=O)c1cc(Cl)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210859252 1037017201 /nfs/dbraw/zinc/01/72/01/1037017201.db2.gz COGPFSOWJQPXHG-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM Nc1cc(Cl)c(Cl)nc1Nc1cccc([O-])c1Cl ZINC001210855737 1037017621 /nfs/dbraw/zinc/01/76/21/1037017621.db2.gz UHUJJVLRUFAYBR-UHFFFAOYSA-N -1 3 304.564 4.073 20 0 DIADHM [O-]c1cccc(Nc2cnc(Br)c(F)c2)c1Cl ZINC001210855786 1037018495 /nfs/dbraw/zinc/01/84/95/1037018495.db2.gz XMJYGSNBRSPZCY-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1[O-] ZINC000580303398 1037032417 /nfs/dbraw/zinc/03/24/17/1037032417.db2.gz XNYBCZPMIKUZOF-UHFFFAOYSA-N -1 3 324.163 4.154 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccc(C(F)(F)F)nc1Cl ZINC001211199067 1037195155 /nfs/dbraw/zinc/19/51/55/1037195155.db2.gz GWVUXVCWBSQLHB-UHFFFAOYSA-N -1 3 324.089 4.251 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(s1)CCCCC2 ZINC000128287494 1037451731 /nfs/dbraw/zinc/45/17/31/1037451731.db2.gz LYIKPGMKUTYVDL-UHFFFAOYSA-N -1 3 305.374 4.114 20 0 DIADHM CC[C@H](Sc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128371903 1037462433 /nfs/dbraw/zinc/46/24/33/1037462433.db2.gz MYVRKQRCKSXHQC-AWEZNQCLSA-N -1 3 305.374 4.041 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1C(F)(F)F ZINC000067138931 1037504781 /nfs/dbraw/zinc/50/47/81/1037504781.db2.gz SLNAQUBFJXQQML-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000581534922 1037719448 /nfs/dbraw/zinc/71/94/48/1037719448.db2.gz ARJCYSCYQFVFIJ-UHFFFAOYSA-N -1 3 319.430 4.302 20 0 DIADHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000605493216 1038531563 /nfs/dbraw/zinc/53/15/63/1038531563.db2.gz YRNAEPMPFCRFEV-UHFFFAOYSA-N -1 3 321.417 4.060 20 0 DIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000014255284 1038537738 /nfs/dbraw/zinc/53/77/38/1038537738.db2.gz BOPRBUITJDVPFT-CYBMUJFWSA-N -1 3 303.427 4.309 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1coc(-c2ccccc2)n1 ZINC000119727333 1038553092 /nfs/dbraw/zinc/55/30/92/1038553092.db2.gz KNIBCFQNBKXVED-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM O=C(CC/C=C\c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000606531008 1038611591 /nfs/dbraw/zinc/61/15/91/1038611591.db2.gz UYLKGYAAYFVLLN-YWEYNIOJSA-N -1 3 301.773 4.478 20 0 DIADHM C[C@H](CCC1CCCCC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606691226 1038621462 /nfs/dbraw/zinc/62/14/62/1038621462.db2.gz CIJVMOVBKZCOEP-CYBMUJFWSA-N -1 3 322.424 4.080 20 0 DIADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062877191 1038637190 /nfs/dbraw/zinc/63/71/90/1038637190.db2.gz UEJGJFYVUXUCCU-OAHLLOKOSA-N -1 3 316.228 4.070 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCCC(F)(F)F)s1 ZINC000072969773 1038669151 /nfs/dbraw/zinc/66/91/51/1038669151.db2.gz OFNUDJOFNDJITQ-UHFFFAOYSA-N -1 3 323.340 4.465 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCSc2ccccc21 ZINC000608354449 1038826637 /nfs/dbraw/zinc/82/66/37/1038826637.db2.gz BWJBXZZMNKJZTH-LBPRGKRZSA-N -1 3 319.813 4.264 20 0 DIADHM [O-]c1c(F)cc(Nc2cnc(C(F)(F)F)cc2Cl)cc1F ZINC001213375054 1038988728 /nfs/dbraw/zinc/98/87/28/1038988728.db2.gz NKKXQQNJRMRWJS-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(F)cc2Br)cc1F ZINC001213379356 1039201838 /nfs/dbraw/zinc/20/18/38/1039201838.db2.gz RCHWQDPHDORLIW-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1OC(F)F ZINC001213386662 1039337295 /nfs/dbraw/zinc/33/72/95/1039337295.db2.gz NVLXEBALEWHNGE-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM O=[S@](Cc1nc(C2CCCCC2)cs1)c1ccc([O-])cc1 ZINC000278289535 1039355245 /nfs/dbraw/zinc/35/52/45/1039355245.db2.gz PZIZVQVBTSOCIZ-OAQYLSRUSA-N -1 3 321.467 4.204 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000539847080 1039365051 /nfs/dbraw/zinc/36/50/51/1039365051.db2.gz KKKZZQPOVKHOEL-QGZVFWFLSA-N -1 3 313.372 4.071 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OCc1cccnc1OC(C)C ZINC001233596430 1039574186 /nfs/dbraw/zinc/57/41/86/1039574186.db2.gz XVEARRAWBCTLQJ-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])sc2nccc(C)c12 ZINC000536212085 1039596961 /nfs/dbraw/zinc/59/69/61/1039596961.db2.gz UNEOQEBBFQCZDS-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM CC(C)c1ccc2c(c1)[C@@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000584209486 1039640346 /nfs/dbraw/zinc/64/03/46/1039640346.db2.gz JAHMFYZUQBGFIE-ZDUSSCGKSA-N -1 3 307.344 4.620 20 0 DIADHM Cc1ncoc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000081829247 1039727352 /nfs/dbraw/zinc/72/73/52/1039727352.db2.gz BRWIKZQBCHBUCD-UHFFFAOYSA-N -1 3 310.806 4.389 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1F)c1c(Cl)cncc1Cl ZINC001233870665 1039803580 /nfs/dbraw/zinc/80/35/80/1039803580.db2.gz GUZBEARTYRCETM-SSDOTTSWSA-N -1 3 302.132 4.373 20 0 DIADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(Cl)ccc1[O-] ZINC000612754332 1040695552 /nfs/dbraw/zinc/69/55/52/1040695552.db2.gz IZLFGJWBAXYKOI-JSGCOSHPSA-N -1 3 315.747 4.200 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000647499281 1040765052 /nfs/dbraw/zinc/76/50/52/1040765052.db2.gz RWMBQYSUKZSVKS-DLBZAZTESA-N -1 3 309.409 4.196 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000613111027 1040790341 /nfs/dbraw/zinc/79/03/41/1040790341.db2.gz XOCLOYNQZNBQHU-LSDHHAIUSA-N -1 3 313.372 4.129 20 0 DIADHM COC(=O)C(C)(C)c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244469904 1041252073 /nfs/dbraw/zinc/25/20/73/1041252073.db2.gz UVHUPRADQGGNAJ-UHFFFAOYSA-N -1 3 304.773 4.163 20 0 DIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000564738704 1041406784 /nfs/dbraw/zinc/40/67/84/1041406784.db2.gz MNTIKBLICYWWTR-UKRRQHHQSA-N -1 3 316.228 4.241 20 0 DIADHM O=C(OCc1cnoc1C1CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393228 1041512851 /nfs/dbraw/zinc/51/28/51/1041512851.db2.gz AGIBDGDXTBQQPR-UHFFFAOYSA-N -1 3 322.773 4.105 20 0 DIADHM C[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C(F)(F)F ZINC000811393637 1041513868 /nfs/dbraw/zinc/51/38/68/1041513868.db2.gz BRUDDUOBHOXIEA-RXMQYKEDSA-N -1 3 311.712 4.238 20 0 DIADHM CC(C)n1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000811393679 1041514259 /nfs/dbraw/zinc/51/42/59/1041514259.db2.gz CHDJSNHWVJLLOZ-UHFFFAOYSA-N -1 3 323.805 4.017 20 0 DIADHM O=C([N-]c1cscc1Cl)c1cc(-c2ccccc2F)on1 ZINC001133067037 1041579030 /nfs/dbraw/zinc/57/90/30/1041579030.db2.gz CNZHAVCFRDPMGO-UHFFFAOYSA-N -1 3 322.748 4.448 20 0 DIADHM O=C(CCCc1csc2ccccc12)[N-]OC/C=C\Cl ZINC000812401981 1041618057 /nfs/dbraw/zinc/61/80/57/1041618057.db2.gz CCOWJSGGVNXGOI-WTKPLQERSA-N -1 3 309.818 4.024 20 0 DIADHM CC[C@H](C)n1ncc(NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000893290742 1041634315 /nfs/dbraw/zinc/63/43/15/1041634315.db2.gz JGMNIHMNRNBSAI-NSHDSACASA-N -1 3 303.381 4.188 20 0 DIADHM O=C(O[C@H](c1ccccc1)C(F)F)c1cc2ccsc2[n-]1 ZINC000813176006 1041676594 /nfs/dbraw/zinc/67/65/94/1041676594.db2.gz YXBJRCRVNZMWPE-GFCCVEGCSA-N -1 3 307.321 4.393 20 0 DIADHM CCC[C@@H](C)C[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417557420 1041684017 /nfs/dbraw/zinc/68/40/17/1041684017.db2.gz BMVCRBQXZDJADI-SCZZXKLOSA-N -1 3 324.273 4.424 20 0 DIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ncccc1[O-] ZINC000584831734 1041685914 /nfs/dbraw/zinc/68/59/14/1041685914.db2.gz NAWGPVQWVVVFMW-JTQLQIEISA-N -1 3 311.212 4.287 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cccnc1Cl ZINC000813305695 1041696288 /nfs/dbraw/zinc/69/62/88/1041696288.db2.gz LCYIBMRHYZRIHX-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(Cl)nc1 ZINC000813305576 1041696469 /nfs/dbraw/zinc/69/64/69/1041696469.db2.gz IOPJMWJUCLVSRG-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM CCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000111210106 1041814679 /nfs/dbraw/zinc/81/46/79/1041814679.db2.gz MTXKNKPKAIPHEK-UHFFFAOYSA-N -1 3 310.806 4.015 20 0 DIADHM CC(F)(F)C(=O)[N-][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000815043917 1041906574 /nfs/dbraw/zinc/90/65/74/1041906574.db2.gz ZPYMHRLRTRCXTA-LBPRGKRZSA-N -1 3 315.772 4.262 20 0 DIADHM CC(C)Oc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000815115618 1041915055 /nfs/dbraw/zinc/91/50/55/1041915055.db2.gz KEKYVMNGDABLHH-UHFFFAOYSA-N -1 3 305.805 4.123 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c([O-])c1 ZINC001135232979 1041996446 /nfs/dbraw/zinc/99/64/46/1041996446.db2.gz YFLQWSBPANWITG-UHFFFAOYSA-N -1 3 324.424 4.197 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)c1 ZINC000048652295 1042018451 /nfs/dbraw/zinc/01/84/51/1042018451.db2.gz ZJGFEDSPEHVEAK-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CC(C)N(C)c1ccc(NCc2c(F)ccc([O-])c2F)cc1F ZINC000816523658 1042065876 /nfs/dbraw/zinc/06/58/76/1042065876.db2.gz YXBVEQSMWQERAZ-UHFFFAOYSA-N -1 3 324.346 4.266 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2cccc3ccccc32)cc1[O-] ZINC001135672840 1042078684 /nfs/dbraw/zinc/07/86/84/1042078684.db2.gz MXUPAHDWNMILOD-UHFFFAOYSA-N -1 3 305.333 4.000 20 0 DIADHM CC(C)[C@H]1N(C(=O)c2cc3sccc3c([O-])c2)CC12CCC2 ZINC000816800149 1042083257 /nfs/dbraw/zinc/08/32/57/1042083257.db2.gz TWSKEZXWMBWQME-MRXNPFEDSA-N -1 3 315.438 4.258 20 0 DIADHM O=C(Nc1cccc2c1CCCC2)c1cc2c(cc1[O-])CCCC2 ZINC001135999282 1042124301 /nfs/dbraw/zinc/12/43/01/1042124301.db2.gz GORRLZDIKYBQRG-UHFFFAOYSA-N -1 3 321.420 4.402 20 0 DIADHM CCCCCN(CCCCC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001625908072 1042139903 /nfs/dbraw/zinc/13/99/03/1042139903.db2.gz MDSMNUNPJGTUMP-UHFFFAOYSA-N -1 3 319.445 4.417 20 0 DIADHM CC(C)c1ccc([C@@H]([N-]c2nnc(C(F)F)o2)C(C)C)cc1 ZINC000432315358 1042149582 /nfs/dbraw/zinc/14/95/82/1042149582.db2.gz UETSGAHGEPZTFE-ZDUSSCGKSA-N -1 3 309.360 4.940 20 0 DIADHM CC[C@H]1CCc2c(sc3[n-]c(-c4cscn4)nc(=O)c23)C1 ZINC000278895856 1042168216 /nfs/dbraw/zinc/16/82/16/1042168216.db2.gz XWMZCFZGKIFIJZ-QMMMGPOBSA-N -1 3 317.439 4.035 20 0 DIADHM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(CC)cc1[O-] ZINC001136185108 1042170915 /nfs/dbraw/zinc/17/09/15/1042170915.db2.gz OGDGAGPFBGCCTA-UHFFFAOYSA-N -1 3 315.388 4.146 20 0 DIADHM Cc1ccnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC001136247511 1042191558 /nfs/dbraw/zinc/19/15/58/1042191558.db2.gz YYYHUWLLZPXNSW-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CCCc3cc(C(C)C)ccc32)c1 ZINC001136296630 1042204737 /nfs/dbraw/zinc/20/47/37/1042204737.db2.gz PKSWHXRNKGEODH-UHFFFAOYSA-N -1 3 309.409 4.417 20 0 DIADHM COc1ccccc1/C(C)=C/C(=O)Nc1c([O-])cccc1Cl ZINC000820509458 1042218433 /nfs/dbraw/zinc/21/84/33/1042218433.db2.gz GFFRAAWSLDLGQY-ZHACJKMWSA-N -1 3 317.772 4.096 20 0 DIADHM O=C(/C=C\Sc1ccccc1)Nc1c([O-])cccc1Cl ZINC000820510068 1042218531 /nfs/dbraw/zinc/21/85/31/1042218531.db2.gz LOSCZJYLFOKLTL-KTKRTIGZSA-N -1 3 305.786 4.290 20 0 DIADHM COc1cccc(/C(C)=C/C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000820509139 1042218828 /nfs/dbraw/zinc/21/88/28/1042218828.db2.gz BEPKUIOJVAPYMM-PKNBQFBNSA-N -1 3 317.772 4.096 20 0 DIADHM CC[C@@H](C)Oc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000319772008 1042252185 /nfs/dbraw/zinc/25/21/85/1042252185.db2.gz FPTLTLHFOJRPDD-LLVKDONJSA-N -1 3 319.788 4.475 20 0 DIADHM Cc1cc([C@@H](C)NC(=O)c2cc3sccc3c([O-])c2)c(C)o1 ZINC001136471062 1042259243 /nfs/dbraw/zinc/25/92/43/1042259243.db2.gz HHHXXHDCRNWSSJ-SNVBAGLBSA-N -1 3 315.394 4.308 20 0 DIADHM CCc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001136488519 1042261813 /nfs/dbraw/zinc/26/18/13/1042261813.db2.gz PQOXQQRSXBIURQ-XIRDDKMYSA-N -1 3 317.473 4.393 20 0 DIADHM CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000575809998 1042421238 /nfs/dbraw/zinc/42/12/38/1042421238.db2.gz HBTKTQCMVUMHSV-QMTHXVAHSA-N -1 3 316.228 4.241 20 0 DIADHM CCC[C@H](CCCCNCc1c(F)cc(C)cc1F)C(=O)[O-] ZINC000424624870 1042744930 /nfs/dbraw/zinc/74/49/30/1042744930.db2.gz SEKYVILZVHCRHZ-CYBMUJFWSA-N -1 3 313.388 4.034 20 0 DIADHM CC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436610159 1042841852 /nfs/dbraw/zinc/84/18/52/1042841852.db2.gz MQPPQGJJXBGTST-INIZCTEOSA-N -1 3 323.436 4.245 20 0 DIADHM CCSc1cccc(-c2nc3cc(F)ccc3c(=O)[n-]2)c1 ZINC000427471148 1042988419 /nfs/dbraw/zinc/98/84/19/1042988419.db2.gz KNNWFMGYHPLNQQ-UHFFFAOYSA-N -1 3 300.358 4.254 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1conc1C1CCCC1 ZINC000865170843 1043063905 /nfs/dbraw/zinc/06/39/05/1043063905.db2.gz IZXVELSLDMTBBZ-UHFFFAOYSA-N -1 3 310.275 4.002 20 0 DIADHM C[C@H](CCC[C@H](C)NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417524977 1043195180 /nfs/dbraw/zinc/19/51/80/1043195180.db2.gz AKGKYXOOGPHNDX-BDAKNGLRSA-N -1 3 324.273 4.424 20 0 DIADHM C[C@@H](c1ccccc1Cl)N(C)CCc1ccccc1C(=O)[O-] ZINC000388823839 1043219271 /nfs/dbraw/zinc/21/92/71/1043219271.db2.gz LSNOWZQSQHZRJP-ZDUSSCGKSA-N -1 3 317.816 4.274 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cc3ccccc3s2)n1 ZINC000192781170 1043275833 /nfs/dbraw/zinc/27/58/33/1043275833.db2.gz LQYWIMDMWWTSLG-NEPJUHHUSA-N -1 3 313.426 4.117 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2cscc2Cl)s1 ZINC000630800673 1043349109 /nfs/dbraw/zinc/34/91/09/1043349109.db2.gz ILAUXTKENDRJJB-UHFFFAOYSA-N -1 3 315.851 4.409 20 0 DIADHM CCSCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000521055937 1043356446 /nfs/dbraw/zinc/35/64/46/1043356446.db2.gz JJPHPYFVFOUYML-LLVKDONJSA-N -1 3 315.866 4.002 20 0 DIADHM COc1cccc(C(=O)Nc2ccccc2CCC(C)C)c1[O-] ZINC000521178217 1043370852 /nfs/dbraw/zinc/37/08/52/1043370852.db2.gz UDWJBAFYWWRUNQ-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM CCc1ccc(NCc2cc(=O)oc3cc([O-])c(CC)cc23)cc1 ZINC000007240499 1043392849 /nfs/dbraw/zinc/39/28/49/1043392849.db2.gz RSOWAXVOXXBPQF-UHFFFAOYSA-N -1 3 323.392 4.236 20 0 DIADHM CC(C)c1ccc(-c2nc(C(C)(C)c3ccncc3)no2)c([O-])c1 ZINC000871856008 1043409434 /nfs/dbraw/zinc/40/94/34/1043409434.db2.gz GJPXDFPBJLMEIR-UHFFFAOYSA-N -1 3 323.396 4.287 20 0 DIADHM C[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872017829 1043419073 /nfs/dbraw/zinc/41/90/73/1043419073.db2.gz FRWWVHPXUXXPIA-JTQLQIEISA-N -1 3 313.294 4.401 20 0 DIADHM COc1ccc(C)cc1[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872017669 1043419625 /nfs/dbraw/zinc/41/96/25/1043419625.db2.gz CMWXYBNABXUYAX-OLZOCXBDSA-N -1 3 303.377 4.260 20 0 DIADHM CC(C)Oc1ccc(CN[C@@H](C)c2cccc([O-])c2F)cc1 ZINC000872022734 1043420666 /nfs/dbraw/zinc/42/06/66/1043420666.db2.gz ZBUGTOIHWFHWDD-ZDUSSCGKSA-N -1 3 303.377 4.169 20 0 DIADHM C[C@@H](N[C@@H]1CCSc2ccccc21)c1cccc([O-])c1F ZINC000872021875 1043420798 /nfs/dbraw/zinc/42/07/98/1043420798.db2.gz FPQCFMPXHQOULG-BXUZGUMPSA-N -1 3 303.402 4.419 20 0 DIADHM C[C@H](NCc1ccccc1C(F)(F)F)c1cccc([O-])c1F ZINC000872027353 1043423377 /nfs/dbraw/zinc/42/33/77/1043423377.db2.gz DBXHSGFUORJVGV-JTQLQIEISA-N -1 3 313.294 4.401 20 0 DIADHM CCC(CC)c1cc(CN[C@H](C)c2cccc([O-])c2F)on1 ZINC000872038410 1043430703 /nfs/dbraw/zinc/43/07/03/1043430703.db2.gz LMXAUAVLGLUSLV-LLVKDONJSA-N -1 3 306.381 4.274 20 0 DIADHM CC(C)C(=O)Nc1cccc(N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872055521 1043439658 /nfs/dbraw/zinc/43/96/58/1043439658.db2.gz IABDRIDFIJPDAU-LBPRGKRZSA-N -1 3 316.376 4.299 20 0 DIADHM C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1cccc([O-])c1F ZINC000872057857 1043441269 /nfs/dbraw/zinc/44/12/69/1043441269.db2.gz JKSMVAUPPGBOGS-IAQYHMDHSA-N -1 3 319.351 4.235 20 0 DIADHM COC[C@H](N[C@H](C)c1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000872072354 1043450637 /nfs/dbraw/zinc/45/06/37/1043450637.db2.gz CTOMWFIRBQZLJJ-ABAIWWIYSA-N -1 3 323.795 4.223 20 0 DIADHM C[C@@H](NCc1cccc(OC2CC2)c1F)c1cccc([O-])c1F ZINC000872085942 1043453629 /nfs/dbraw/zinc/45/36/29/1043453629.db2.gz QVONXHIKRBHWRU-LLVKDONJSA-N -1 3 319.351 4.062 20 0 DIADHM CC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC001299438872 1043580134 /nfs/dbraw/zinc/58/01/34/1043580134.db2.gz POJDNBDTUSMJBT-SFHVURJKSA-N -1 3 305.377 4.427 20 0 DIADHM O=C([O-])CCC1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000665342988 1043580342 /nfs/dbraw/zinc/58/03/42/1043580342.db2.gz USJVJFCVSQRIFB-UHFFFAOYSA-N -1 3 321.804 4.163 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000094125185 1043612168 /nfs/dbraw/zinc/61/21/68/1043612168.db2.gz RXVHIYTYSLMILE-GOSISDBHSA-N -1 3 320.392 4.241 20 0 DIADHM CC(C)c1cccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC000877994975 1043836891 /nfs/dbraw/zinc/83/68/91/1043836891.db2.gz ABZZPLRLJHNXLR-UHFFFAOYSA-N -1 3 323.396 4.202 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1Cl ZINC001200699829 1043848387 /nfs/dbraw/zinc/84/83/87/1043848387.db2.gz XGRRQVYWKARXKA-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM Cc1ccc(N(Cc2nnc(-c3ccccc3[O-])o2)C(C)C)cc1 ZINC000878230369 1043859260 /nfs/dbraw/zinc/85/92/60/1043859260.db2.gz JPPAXXQCPSKERJ-UHFFFAOYSA-N -1 3 323.396 4.166 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2ncsc2C(C)C)s1 ZINC000289928483 1043895241 /nfs/dbraw/zinc/89/52/41/1043895241.db2.gz USPHBOJTKGKUAG-UHFFFAOYSA-N -1 3 324.475 4.274 20 0 DIADHM CC(C)(C)C(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000562069962 1044060927 /nfs/dbraw/zinc/06/09/27/1044060927.db2.gz SLSGVYFZHAMJHP-UHFFFAOYSA-N -1 3 309.425 4.043 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(C(C)C)nc2C)CC)n1 ZINC000280884925 1044080687 /nfs/dbraw/zinc/08/06/87/1044080687.db2.gz CMUCUTCBYMUUSI-ZROIWOOFSA-N -1 3 314.433 4.171 20 0 DIADHM O=C(N[C@H]1CCCCC12CCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000292101410 1044138534 /nfs/dbraw/zinc/13/85/34/1044138534.db2.gz GKYNHNOVLJGDAN-SFHVURJKSA-N -1 3 324.424 4.173 20 0 DIADHM CCSc1cc(Cl)ccc1C(=O)Nc1nc(C)ccc1[O-] ZINC000359952724 1044219179 /nfs/dbraw/zinc/21/91/79/1044219179.db2.gz PIZUHRFSARRAPW-UHFFFAOYSA-N -1 3 322.817 4.113 20 0 DIADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H]1C ZINC000563280458 1044243666 /nfs/dbraw/zinc/24/36/66/1044243666.db2.gz UFCRSEUZYHCGAH-RULNRJAQSA-N -1 3 316.228 4.097 20 0 DIADHM COc1ccc(C2CC2)cc1CNCc1cccc([O-])c1Cl ZINC000883258063 1044248953 /nfs/dbraw/zinc/24/89/53/1044248953.db2.gz QMOJGQDYINETIY-UHFFFAOYSA-N -1 3 317.816 4.221 20 0 DIADHM CSCc1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000293202863 1044260475 /nfs/dbraw/zinc/26/04/75/1044260475.db2.gz ITIIFNLSHWXBAO-UHFFFAOYSA-N -1 3 307.846 4.198 20 0 DIADHM CCC(=O)N(C)c1ccc(N[C@H](C)c2cccc([O-])c2F)cc1 ZINC000883313946 1044265312 /nfs/dbraw/zinc/26/53/12/1044265312.db2.gz QZTOJECZETYGFZ-GFCCVEGCSA-N -1 3 316.376 4.077 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccoc2C2CC2)c(F)c1F ZINC000360712582 1044301227 /nfs/dbraw/zinc/30/12/27/1044301227.db2.gz KCEDQQLLCBYPDN-UHFFFAOYSA-N -1 3 323.270 4.029 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1Cl ZINC000293637446 1044308403 /nfs/dbraw/zinc/30/84/03/1044308403.db2.gz RMNBUBZFFWQOLH-ZDUSSCGKSA-N -1 3 324.207 4.312 20 0 DIADHM O=C([O-])c1cc(CN2CCC[C@@H]2/C=C/c2ccccc2)cs1 ZINC000564219491 1044358448 /nfs/dbraw/zinc/35/84/48/1044358448.db2.gz ZYTVURYUGMHSPR-ROJDOSBLSA-N -1 3 313.422 4.124 20 0 DIADHM O=[S@](Cc1csc(C2CCCCC2)n1)c1ccc([O-])cc1 ZINC000108084468 1044385286 /nfs/dbraw/zinc/38/52/86/1044385286.db2.gz MLBWWHQHGMXHAC-NRFANRHFSA-N -1 3 321.467 4.204 20 0 DIADHM Cc1cnc(C2CCN(Cc3cccc([O-])c3Cl)CC2)s1 ZINC000294486651 1044424620 /nfs/dbraw/zinc/42/46/20/1044424620.db2.gz AYDKDMCRNNMXKC-UHFFFAOYSA-N -1 3 322.861 4.190 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000566025603 1044468934 /nfs/dbraw/zinc/46/89/34/1044468934.db2.gz CVFVYVQYYYABSD-WDEREUQCSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1cccc(NC(=O)Nc2nc3c(cccc3[O-])s2)c1C ZINC001202692222 1044474560 /nfs/dbraw/zinc/47/45/60/1044474560.db2.gz HZLPVAPHJIHNQV-UHFFFAOYSA-N -1 3 313.382 4.263 20 0 DIADHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(-n3cccc3)c2)n1 ZINC000041517120 1044493465 /nfs/dbraw/zinc/49/34/65/1044493465.db2.gz QUQNUOLZVHGWLS-OAHLLOKOSA-N -1 3 321.405 4.041 20 0 DIADHM Cc1csc(C(C#N)=C([O-])c2ccc(C)c(-n3cccc3)c2)n1 ZINC000041517122 1044494034 /nfs/dbraw/zinc/49/40/34/1044494034.db2.gz QUQNUOLZVHGWLS-HNNXBMFYSA-N -1 3 321.405 4.041 20 0 DIADHM C[C@@H]1CCN(Cc2ccsc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000567478836 1044567899 /nfs/dbraw/zinc/56/78/99/1044567899.db2.gz CEPJELCXXWKPJY-YPMHNXCESA-N -1 3 305.399 4.013 20 0 DIADHM O=C([O-])CCCN(Cc1ccccc1)Cc1ccccc1Cl ZINC000567955640 1044595213 /nfs/dbraw/zinc/59/52/13/1044595213.db2.gz OLNNEYKITQTVIO-UHFFFAOYSA-N -1 3 317.816 4.207 20 0 DIADHM [O-]c1ccc(F)c(CNCc2c(Cl)cccc2Cl)c1F ZINC000568671611 1044642274 /nfs/dbraw/zinc/64/22/74/1044642274.db2.gz FBIZJBYVHAFOGS-UHFFFAOYSA-N -1 3 318.150 4.267 20 0 DIADHM CCc1ccc2occ(C(=O)Nc3cccc(C(C)=O)c3[O-])c2c1 ZINC000568933032 1044661161 /nfs/dbraw/zinc/66/11/61/1044661161.db2.gz CIIQMMCESPGBFA-UHFFFAOYSA-N -1 3 323.348 4.156 20 0 DIADHM [O-]c1cccnc1CN(Cc1ccc(F)cc1F)C1CCCC1 ZINC000569740528 1044709282 /nfs/dbraw/zinc/70/92/82/1044709282.db2.gz CEVXJFUJTUZDAF-UHFFFAOYSA-N -1 3 318.367 4.010 20 0 DIADHM CC(C)OCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000570608549 1044769736 /nfs/dbraw/zinc/76/97/36/1044769736.db2.gz ZPAQRHNQGBRUST-UHFFFAOYSA-N -1 3 319.788 4.223 20 0 DIADHM CCc1c(C)sc2[nH]c(-c3cc([O-])cc(Cl)c3)nc(=O)c12 ZINC000487515608 1044791242 /nfs/dbraw/zinc/79/12/42/1044791242.db2.gz OXKNLGRKKFSJGS-UHFFFAOYSA-N -1 3 320.801 4.294 20 0 DIADHM Cc1ccc(C)c(NC(=O)Nc2nc3c(cccc3[O-])s2)c1 ZINC001202756021 1044797474 /nfs/dbraw/zinc/79/74/74/1044797474.db2.gz SWQRLMLESCJFFH-UHFFFAOYSA-N -1 3 313.382 4.263 20 0 DIADHM O=C(Cc1csc2ccccc12)Nc1c([O-])cccc1Cl ZINC000573529406 1044910741 /nfs/dbraw/zinc/91/07/41/1044910741.db2.gz XMHKNYVRJHFUBE-UHFFFAOYSA-N -1 3 317.797 4.442 20 0 DIADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000575322350 1044996957 /nfs/dbraw/zinc/99/69/57/1044996957.db2.gz BYQZTXJLDQPYGV-GPCCPHFNSA-N -1 3 316.228 4.097 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000576655753 1045071792 /nfs/dbraw/zinc/07/17/92/1045071792.db2.gz DHLLPRPEFSXTPM-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM C[C@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCC1(F)F ZINC001142105665 1045081332 /nfs/dbraw/zinc/08/13/32/1045081332.db2.gz JJKMKEYVVBBKGW-QMMMGPOBSA-N -1 3 310.171 4.176 20 0 DIADHM CC1(C2CC2)CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000577192195 1045106945 /nfs/dbraw/zinc/10/69/45/1045106945.db2.gz BPGIVDCDJNBMPY-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM O=[S@@](Cc1cccc(Cl)c1Cl)c1ccc([O-])cc1 ZINC000447361288 1045122247 /nfs/dbraw/zinc/12/22/47/1045122247.db2.gz ZGKOIRPFTGMVMH-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM CCC(CC)c1cc(C(=O)Nc2c([O-])cccc2Cl)on1 ZINC000557182429 1045152779 /nfs/dbraw/zinc/15/27/79/1045152779.db2.gz QZNLQPGYNFPYMM-UHFFFAOYSA-N -1 3 308.765 4.190 20 0 DIADHM COc1cccc([C@@H](C)CC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557182658 1045152795 /nfs/dbraw/zinc/15/27/95/1045152795.db2.gz YRNVSSLACDYDMK-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM Cc1ccc(C[C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000578806694 1045272772 /nfs/dbraw/zinc/27/27/72/1045272772.db2.gz MICZFNNPCTXXRY-CYBMUJFWSA-N -1 3 317.816 4.023 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000578995591 1045287604 /nfs/dbraw/zinc/28/76/04/1045287604.db2.gz PEBTXWYPFIEZEB-TVQRCGJNSA-N -1 3 316.228 4.240 20 0 DIADHM CCc1c(NC(=O)c2c(C)cccc2[O-])cnn1C(CC)CC ZINC000626641743 1045356919 /nfs/dbraw/zinc/35/69/19/1045356919.db2.gz UVZPYSDPMRSNLB-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1[O-] ZINC000627277708 1045374899 /nfs/dbraw/zinc/37/48/99/1045374899.db2.gz VDAVDCXOPJSKSW-HZPDHXFCSA-N -1 3 323.392 4.117 20 0 DIADHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000449459710 1045396310 /nfs/dbraw/zinc/39/63/10/1045396310.db2.gz LFVYDRGMAKXYKA-KOLCDFICSA-N -1 3 307.743 4.208 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cc3c(ccc4ccccc34)o2)n1 ZINC001626416364 1045444820 /nfs/dbraw/zinc/44/48/20/1045444820.db2.gz DPMYFKIKWNENCP-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM CC(C)c1cc(Cl)ccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000529247359 1045461964 /nfs/dbraw/zinc/46/19/64/1045461964.db2.gz JFXFYFIHBHNVJB-AWEZNQCLSA-N -1 3 312.797 4.043 20 0 DIADHM CC(C)c1cc(Cl)ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000529247359 1045461968 /nfs/dbraw/zinc/46/19/68/1045461968.db2.gz JFXFYFIHBHNVJB-AWEZNQCLSA-N -1 3 312.797 4.043 20 0 DIADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001142234424 1045505818 /nfs/dbraw/zinc/50/58/18/1045505818.db2.gz YDGIPGBDTVJMLY-QWHCGFSZSA-N -1 3 309.837 4.382 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)SC2CCC(C(F)(F)F)CC2)n1 ZINC000451035582 1045613145 /nfs/dbraw/zinc/61/31/45/1045613145.db2.gz HABXFFWUTRQHEE-KPPDAEKUSA-N -1 3 320.380 4.406 20 0 DIADHM CC(C)c1csc(CNCc2c([O-])ccc(Cl)c2F)n1 ZINC000191348077 1045681960 /nfs/dbraw/zinc/68/19/60/1045681960.db2.gz DKLZCOSVBKUZTK-UHFFFAOYSA-N -1 3 314.813 4.054 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c([C@H]4CC[C@H](C)O4)nc(=O)c23)C1 ZINC000630386521 1045757918 /nfs/dbraw/zinc/75/79/18/1045757918.db2.gz XGVSOTQFCQNRKX-HOSYDEDBSA-N -1 3 318.442 4.152 20 0 DIADHM CC(C)=CCC[C@H](C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901628826 1045780937 /nfs/dbraw/zinc/78/09/37/1045780937.db2.gz TYVKREYAWCOGEU-QFBILLFUSA-N -1 3 315.457 4.443 20 0 DIADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(F)ccc1[O-] ZINC000531134562 1045787914 /nfs/dbraw/zinc/78/79/14/1045787914.db2.gz AOIHXWXQVMJCOL-LBPRGKRZSA-N -1 3 317.360 4.062 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C(F)F)nc2)CC)n1 ZINC000630950339 1045793778 /nfs/dbraw/zinc/79/37/78/1045793778.db2.gz DDHSKJBZKJJDJM-WQLSENKSSA-N -1 3 319.355 4.006 20 0 DIADHM CC(C)CC[C@@H]1CC[C@@H](N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC000901907350 1045870828 /nfs/dbraw/zinc/87/08/28/1045870828.db2.gz FTBGFMOVCGUCJS-JHJVBQTASA-N -1 3 310.463 4.097 20 0 DIADHM CC(C)(C)SCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000754463609 1045892709 /nfs/dbraw/zinc/89/27/09/1045892709.db2.gz XGKKFVPTJRFZGT-UHFFFAOYSA-N -1 3 301.839 4.296 20 0 DIADHM Cc1cc2c(CC(=O)Nc3cccc([O-])c3F)csc2s1 ZINC001137580352 1045896295 /nfs/dbraw/zinc/89/62/95/1045896295.db2.gz DRBWQVAFJYMSNS-UHFFFAOYSA-N -1 3 321.398 4.297 20 0 DIADHM C[C@H](NC1CC(C)(C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ZINC000902069276 1045904676 /nfs/dbraw/zinc/90/46/76/1045904676.db2.gz AZOVPUDECPFOCI-SIOPIFAHSA-N -1 3 320.191 4.036 20 0 DIADHM C[C@H](CSc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001137702434 1045941274 /nfs/dbraw/zinc/94/12/74/1045941274.db2.gz XLUZFQYDDWDXOA-LLVKDONJSA-N -1 3 321.829 4.413 20 0 DIADHM CCc1oc(CN[C@@H](c2ccccc2C)C(C)C)cc1C(=O)[O-] ZINC000902249067 1045956057 /nfs/dbraw/zinc/95/60/57/1045956057.db2.gz HIFBLJGLEGARKZ-GOSISDBHSA-N -1 3 315.413 4.336 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c([O-])c1 ZINC001137834154 1045977344 /nfs/dbraw/zinc/97/73/44/1045977344.db2.gz XKLFGCVLKARHNX-YJYMSZOUSA-N -1 3 309.409 4.008 20 0 DIADHM CCc1oc(CN2CCC(CCC(C)C)CC2)cc1C(=O)[O-] ZINC000902408257 1045992751 /nfs/dbraw/zinc/99/27/51/1045992751.db2.gz AUAAGIDNGBXBIO-UHFFFAOYSA-N -1 3 307.434 4.188 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])c(Cl)c1Cl ZINC001138014861 1046056009 /nfs/dbraw/zinc/05/60/09/1046056009.db2.gz GANGOUINEMAIDS-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1sccc1-n1cccc1 ZINC001138014744 1046056539 /nfs/dbraw/zinc/05/65/39/1046056539.db2.gz AHYVWFMARPGELL-UHFFFAOYSA-N -1 3 318.785 4.150 20 0 DIADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138014812 1046056848 /nfs/dbraw/zinc/05/68/48/1046056848.db2.gz CUQYCFXGBSNDTL-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM CCc1cccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1[O-] ZINC001138019964 1046059640 /nfs/dbraw/zinc/05/96/40/1046059640.db2.gz AANRQVNOUPNQEX-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 ZINC001138048718 1046073656 /nfs/dbraw/zinc/07/36/56/1046073656.db2.gz KHAMSPRORKLQSZ-GOSISDBHSA-N -1 3 309.409 4.322 20 0 DIADHM C[C@@H](CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl)C(C)(C)C ZINC000634697140 1046086859 /nfs/dbraw/zinc/08/68/59/1046086859.db2.gz BGUNEAXNECFOON-HZMBPMFUSA-N -1 3 315.816 4.219 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)C2CCCCCC2)c1 ZINC001138125322 1046103718 /nfs/dbraw/zinc/10/37/18/1046103718.db2.gz GEBZRSIMOYUTSW-GFCCVEGCSA-N -1 3 307.459 4.203 20 0 DIADHM Cc1ccc(Nc2ccccc2C(=O)Nc2ncccc2[O-])cc1 ZINC001138165391 1046110230 /nfs/dbraw/zinc/11/02/30/1046110230.db2.gz PBAFMDCTFXTBRE-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM CC(C)c1cccc(-c2ccc(C(=O)Nc3ncccc3[O-])o2)c1 ZINC001138165156 1046111916 /nfs/dbraw/zinc/11/19/16/1046111916.db2.gz LKYGVCDVSDSICR-UHFFFAOYSA-N -1 3 322.364 4.423 20 0 DIADHM CC[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cn1 ZINC000803048184 1046121954 /nfs/dbraw/zinc/12/19/54/1046121954.db2.gz HVQSYRLRZMUOPH-CYBMUJFWSA-N -1 3 304.346 4.072 20 0 DIADHM CCC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1F ZINC000757905801 1046225910 /nfs/dbraw/zinc/22/59/10/1046225910.db2.gz DEMNCNVNMAQVAO-UHFFFAOYSA-N -1 3 321.735 4.030 20 0 DIADHM O=C([O-])c1ccc(CN[C@H]2CCCc3sc(Cl)cc32)cc1 ZINC000263386247 1046308051 /nfs/dbraw/zinc/30/80/51/1046308051.db2.gz CVPDWWRXQBSPFU-ZDUSSCGKSA-N -1 3 321.829 4.267 20 0 DIADHM COc1ccccc1[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000103191439 1046317031 /nfs/dbraw/zinc/31/70/31/1046317031.db2.gz HKLLWTCBIMUYGB-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM CC(C)(C)[C@@H]1CCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903893586 1046337680 /nfs/dbraw/zinc/33/76/80/1046337680.db2.gz GTWHRLPWFGSESV-NSHDSACASA-N -1 3 319.323 4.007 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000666437721 1046345394 /nfs/dbraw/zinc/34/53/94/1046345394.db2.gz XONLOWUNRKIJCL-CQSZACIVSA-N -1 3 319.451 4.153 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cccc2F)s1 ZINC000748853879 1046411565 /nfs/dbraw/zinc/41/15/65/1046411565.db2.gz FRFSZBABIMRVIK-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM COc1ccccc1[C@@H](C)Oc1cccc([O-])c1Br ZINC001229139885 1046453238 /nfs/dbraw/zinc/45/32/38/1046453238.db2.gz NCEXAZWHFUKBLJ-SNVBAGLBSA-N -1 3 323.186 4.303 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC001139523551 1046463580 /nfs/dbraw/zinc/46/35/80/1046463580.db2.gz IEMXTVMEUYKOJP-YCPHGPKFSA-N -1 3 303.446 4.318 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C)CSc3ccccc32)c([O-])c1 ZINC000677189958 1046472729 /nfs/dbraw/zinc/47/27/29/1046472729.db2.gz HJBIIVKIIYXSJA-CYBMUJFWSA-N -1 3 313.422 4.089 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]c2cc(Cl)ccc12 ZINC000677211848 1046475058 /nfs/dbraw/zinc/47/50/58/1046475058.db2.gz BUHDJUBWXCWLOC-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM CC(C)O[C@@H](COC(=O)c1cc2occc2[n-]1)c1ccccc1 ZINC000795570827 1046479328 /nfs/dbraw/zinc/47/93/28/1046479328.db2.gz SXXJMIZFCDJOKK-KRWDZBQOSA-N -1 3 313.353 4.084 20 0 DIADHM Cc1cc(C)c(NC(=O)Nc2ncc([O-])cc2Cl)c(C)c1 ZINC001202952137 1046482797 /nfs/dbraw/zinc/48/27/97/1046482797.db2.gz CQNBTAKSXIJYFS-UHFFFAOYSA-N -1 3 305.765 4.010 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2ccco2)s1 ZINC000677801568 1046528574 /nfs/dbraw/zinc/52/85/74/1046528574.db2.gz VTAGTGSGFKSAKE-UHFFFAOYSA-N -1 3 303.314 4.105 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)C2CCC(C)(C)CC2)c1 ZINC001137315420 1046531838 /nfs/dbraw/zinc/53/18/38/1046531838.db2.gz ZTVATACFALRKQY-UHFFFAOYSA-N -1 3 307.459 4.155 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)[C@H](O)CCCC3)c1F ZINC000827027418 1046547571 /nfs/dbraw/zinc/54/75/71/1046547571.db2.gz ZKEBUABBOKEYAI-MRXNPFEDSA-N -1 3 319.351 4.042 20 0 DIADHM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159582 1046660280 /nfs/dbraw/zinc/66/02/80/1046660280.db2.gz KBRZDWYTHFXXNT-NSHDSACASA-N -1 3 321.829 4.306 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000533160032 1046661188 /nfs/dbraw/zinc/66/11/88/1046661188.db2.gz KROCXLNSFIWOGM-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)O[C@H]1CCc2ccccc21 ZINC000784894219 1046714195 /nfs/dbraw/zinc/71/41/95/1046714195.db2.gz QJMZDXRCZVKPIH-SFHVURJKSA-N 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BARNGVYRIAOXHR-UHFFFAOYSA-N -1 3 315.678 4.409 20 0 DIADHM CC1(C)CCCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001137372679 1046839325 /nfs/dbraw/zinc/83/93/25/1046839325.db2.gz CZZMXTNTVRXRDQ-HNNXBMFYSA-N -1 3 303.427 4.306 20 0 DIADHM [O-]c1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1Cl ZINC000646072085 1046851740 /nfs/dbraw/zinc/85/17/40/1046851740.db2.gz FLVRTOBENSCKFK-KRWDZBQOSA-N -1 3 317.816 4.009 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1Cl)C(C)(C)c1ccccc1 ZINC000646191315 1046873862 /nfs/dbraw/zinc/87/38/62/1046873862.db2.gz ZUJFIFMDLDXKOJ-UHFFFAOYSA-N -1 3 303.789 4.053 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001140763733 1046886715 /nfs/dbraw/zinc/88/67/15/1046886715.db2.gz RIUGXWHIYTXNGT-INIZCTEOSA-N -1 3 315.800 4.413 20 0 DIADHM C/C(=C/Cl)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000797811000 1046888353 /nfs/dbraw/zinc/88/83/53/1046888353.db2.gz WPTFRIMZOCDFRF-TWGQIWQCSA-N -1 3 320.801 4.457 20 0 DIADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1c([O-])cccc1Cl ZINC000646487550 1046906408 /nfs/dbraw/zinc/90/64/08/1046906408.db2.gz GGTYXFSKOCSYCG-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM CC[C@]1(C)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000646876778 1046930380 /nfs/dbraw/zinc/93/03/80/1046930380.db2.gz QOJOKEKFTHVFJC-OAHLLOKOSA-N -1 3 315.335 4.063 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001140854238 1046930669 /nfs/dbraw/zinc/93/06/69/1046930669.db2.gz PWQZHZCKEWQJCT-ZWKOTPCHSA-N -1 3 323.436 4.404 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H](Cc3ccccc3)C2)c(F)c1F ZINC001140893102 1046942847 /nfs/dbraw/zinc/94/28/47/1046942847.db2.gz FPROXPYVEMXAJR-HNNXBMFYSA-N -1 3 317.379 4.125 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2ccc([O-])c(F)c2F)cc1 ZINC001140894121 1046945929 /nfs/dbraw/zinc/94/59/29/1046945929.db2.gz RBKHGLQSCZXMLO-OAHLLOKOSA-N -1 3 303.352 4.316 20 0 DIADHM CN(Cc1ccc(C(=O)[O-])o1)C(c1ccccc1)c1ccccc1 ZINC001140942025 1046957270 /nfs/dbraw/zinc/95/72/70/1046957270.db2.gz HUULGCWGHVYUOK-UHFFFAOYSA-N -1 3 321.376 4.199 20 0 DIADHM Cc1cccc([C@@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)c1 ZINC001140987983 1046970832 /nfs/dbraw/zinc/97/08/32/1046970832.db2.gz JJXIICFURHZJCW-KRWDZBQOSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1c(F)cc(CN2CCC(c3ccccc3F)CC2)cc1F ZINC001140990097 1046970932 /nfs/dbraw/zinc/97/09/32/1046970932.db2.gz LNMNCPINOALWLJ-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000647499283 1047004940 /nfs/dbraw/zinc/00/49/40/1047004940.db2.gz RWMBQYSUKZSVKS-IRXDYDNUSA-N -1 3 309.409 4.196 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCCCCCC1 ZINC000836924686 1047007408 /nfs/dbraw/zinc/00/74/08/1047007408.db2.gz HRLSDNABDTXRDT-UHFFFAOYSA-N -1 3 307.409 4.037 20 0 DIADHM CCc1ccc(C(=O)Nc2cnccc2-c2ccccc2)c([O-])c1 ZINC000647621621 1047012432 /nfs/dbraw/zinc/01/24/32/1047012432.db2.gz XCBAECMPJUWODH-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1 ZINC000536689064 1047073744 /nfs/dbraw/zinc/07/37/44/1047073744.db2.gz AXYYLAHGYKVKSP-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCC(C)(C)c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001137441681 1047119066 /nfs/dbraw/zinc/11/90/66/1047119066.db2.gz KRKAMVCFPWPIFP-UHFFFAOYSA-N -1 3 315.388 4.149 20 0 DIADHM CC(C)Cc1ccc(CCCC(=O)[N-]OCCC2CC2)cc1 ZINC001141417725 1047124643 /nfs/dbraw/zinc/12/46/43/1047124643.db2.gz GJSRBNOHINVIJS-UHFFFAOYSA-N -1 3 303.446 4.056 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@H](C)CC(C)C ZINC001141436625 1047131846 /nfs/dbraw/zinc/13/18/46/1047131846.db2.gz CVRKDMVDCICYIB-SECBINFHSA-N -1 3 314.223 4.084 20 0 DIADHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001141469055 1047144052 /nfs/dbraw/zinc/14/40/52/1047144052.db2.gz HDSCHLRJQXDELW-QWHCGFSZSA-N -1 3 301.773 4.096 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC001141516292 1047156515 /nfs/dbraw/zinc/15/65/15/1047156515.db2.gz GIHZXIKSLFPHPS-LBPRGKRZSA-N -1 3 317.351 4.122 20 0 DIADHM Cc1cccc(C)c1CNCc1cccc([O-])c1Br ZINC000838981344 1047178967 /nfs/dbraw/zinc/17/89/67/1047178967.db2.gz YNVODMFIUUYSTR-UHFFFAOYSA-N -1 3 320.230 4.061 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1C ZINC000682465424 1047199010 /nfs/dbraw/zinc/19/90/10/1047199010.db2.gz LWDSJYNPYHIJFO-UHFFFAOYSA-N -1 3 315.388 4.216 20 0 DIADHM C[C@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001141580135 1047203271 /nfs/dbraw/zinc/20/32/71/1047203271.db2.gz WKJVYATZDLSEJA-YJBOKZPZSA-N -1 3 323.436 4.292 20 0 DIADHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1c(F)ccnc1F ZINC001117666081 1047234592 /nfs/dbraw/zinc/23/45/92/1047234592.db2.gz IPJFPBHCCRLNDT-UHFFFAOYSA-N -1 3 322.698 4.320 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000476146379 1047238466 /nfs/dbraw/zinc/23/84/66/1047238466.db2.gz IPXCBGFHOIIOFH-ZDUSSCGKSA-N -1 3 321.298 4.080 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1[O-] ZINC001141649554 1047247139 /nfs/dbraw/zinc/24/71/39/1047247139.db2.gz QISNCGGGMQTXLM-QLFBSQMISA-N -1 3 315.413 4.140 20 0 DIADHM O=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1[O-] ZINC001141677267 1047260011 /nfs/dbraw/zinc/26/00/11/1047260011.db2.gz PFPSTMOAQYLFNA-UHFFFAOYSA-N -1 3 319.360 4.115 20 0 DIADHM CCOc1cc(CNc2ncccc2SC)cc(Cl)c1[O-] ZINC000651971318 1047338212 /nfs/dbraw/zinc/33/82/12/1047338212.db2.gz ADCWDACOMGWPGR-UHFFFAOYSA-N -1 3 324.833 4.173 20 0 DIADHM C[C@]1(F)CCCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142105641 1047380788 /nfs/dbraw/zinc/38/07/88/1047380788.db2.gz IKTBBODFCNWQAA-AWEZNQCLSA-N -1 3 306.208 4.413 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC001142105699 1047381848 /nfs/dbraw/zinc/38/18/48/1047381848.db2.gz KIDCQEQTIRIRIX-MRXNPFEDSA-N -1 3 323.223 4.431 20 0 DIADHM CN(Cc1cccs1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142115115 1047383458 /nfs/dbraw/zinc/38/34/58/1047383458.db2.gz XOYIKUIFRJDGIP-UHFFFAOYSA-N -1 3 302.226 4.393 20 0 DIADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001142215283 1047399123 /nfs/dbraw/zinc/39/91/23/1047399123.db2.gz RUPPUNKLVXIXPO-DOTOQJQBSA-N -1 3 309.409 4.102 20 0 DIADHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001142234422 1047412609 /nfs/dbraw/zinc/41/26/09/1047412609.db2.gz YDGIPGBDTVJMLY-CHWSQXEVSA-N -1 3 309.837 4.382 20 0 DIADHM Cc1ccc(C(=O)NCc2ccc(C)c3ccccc23)c([O-])c1 ZINC001142289667 1047422351 /nfs/dbraw/zinc/42/23/51/1047422351.db2.gz MMAHUPAQCSSZBZ-UHFFFAOYSA-N -1 3 305.377 4.092 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccn(C(C)(C)C)n1 ZINC000653839528 1047424716 /nfs/dbraw/zinc/42/47/16/1047424716.db2.gz INNGOUYHVIVSDM-UHFFFAOYSA-N -1 3 321.421 4.142 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 ZINC001142358367 1047433355 /nfs/dbraw/zinc/43/33/55/1047433355.db2.gz KFMBCNOODDGQOL-LBPRGKRZSA-N -1 3 307.459 4.012 20 0 DIADHM CCC[C@H](CC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001142887260 1047509937 /nfs/dbraw/zinc/50/99/37/1047509937.db2.gz WZSRGLOCIUZRFV-AWEZNQCLSA-N -1 3 313.397 4.493 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2cnc(C(C)C)s2)s1 ZINC000121127457 1047511577 /nfs/dbraw/zinc/51/15/77/1047511577.db2.gz NJPOTKNPXZRKJD-UHFFFAOYSA-N -1 3 324.475 4.103 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CC12CC=CC2 ZINC001143023126 1047526563 /nfs/dbraw/zinc/52/65/63/1047526563.db2.gz QCWKITGCWZSMSK-IBGZPJMESA-N -1 3 321.420 4.362 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000060244992 1047536840 /nfs/dbraw/zinc/53/68/40/1047536840.db2.gz BSIDGLSDUCIPAX-QWHCGFSZSA-N -1 3 322.191 4.441 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c1[O-] ZINC001149191066 1047557593 /nfs/dbraw/zinc/55/75/93/1047557593.db2.gz AZCAMNGTHMFYHR-MAUKXSAKSA-N -1 3 323.436 4.048 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2ccsc21 ZINC001149517932 1047564038 /nfs/dbraw/zinc/56/40/38/1047564038.db2.gz QKPMNILBPLQEHS-UHFFFAOYSA-N -1 3 311.362 4.062 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1oc2ccc(C)cc2c1C ZINC001150776748 1047584517 /nfs/dbraw/zinc/58/45/17/1047584517.db2.gz ARCPGAIVNCFTFV-UHFFFAOYSA-N -1 3 323.348 4.210 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2cccs2)o1 ZINC001151093366 1047591684 /nfs/dbraw/zinc/59/16/84/1047591684.db2.gz SUSYZQQSXOYEBD-UHFFFAOYSA-N -1 3 303.314 4.105 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(C3CCCCC3)cs2)c([O-])c1 ZINC001151641189 1047598744 /nfs/dbraw/zinc/59/87/44/1047598744.db2.gz DBKNQBKYWKCZNZ-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC001153462245 1047625091 /nfs/dbraw/zinc/62/50/91/1047625091.db2.gz SMBWMTJLCGMDGW-MFKMUULPSA-N -1 3 319.788 4.333 20 0 DIADHM O=C(Nc1cscc1Cl)c1cc2c(cc1[O-])CCCC2 ZINC001154003473 1047637212 /nfs/dbraw/zinc/63/72/12/1047637212.db2.gz YDHAHJAVAAXDRS-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM Cc1cc2cccnc2c(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001154199630 1047642352 /nfs/dbraw/zinc/64/23/52/1047642352.db2.gz IRDYZWJEJCBUKD-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC(C)(C(C)C)CC2)c([O-])c1 ZINC001154825473 1047657908 /nfs/dbraw/zinc/65/79/08/1047657908.db2.gz OFYMDUDDWWAGTB-UHFFFAOYSA-N -1 3 303.446 4.414 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c1[O-] ZINC001156353250 1047707541 /nfs/dbraw/zinc/70/75/41/1047707541.db2.gz QXCYCSBJGCOPBE-DNVCBOLYSA-N -1 3 323.436 4.363 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C)c(OC(C)C)c2)c([O-])c1C ZINC001156360421 1047709160 /nfs/dbraw/zinc/70/91/60/1047709160.db2.gz UAEYCXFDWKKOPE-UHFFFAOYSA-N -1 3 313.397 4.357 20 0 DIADHM CC[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000539382575 1047750782 /nfs/dbraw/zinc/75/07/82/1047750782.db2.gz LYLHZUZIBYNHEM-CQSZACIVSA-N -1 3 319.788 4.187 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000552781717 1047794826 /nfs/dbraw/zinc/79/48/26/1047794826.db2.gz UONGFTDYZOHXEF-DTWKUNHWSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1ccc(NC(=S)Nc2cccc(F)c2)c(Cl)c1[O-] ZINC001197644732 1047854304 /nfs/dbraw/zinc/85/43/04/1047854304.db2.gz WNPWTICMOFTVRS-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001159551663 1047868666 /nfs/dbraw/zinc/86/86/66/1047868666.db2.gz OJZXVCKEGKNJKU-DTWKUNHWSA-N -1 3 314.223 4.084 20 0 DIADHM CSc1c(F)cccc1C(=O)Nc1c([O-])cccc1Cl ZINC001159658865 1047894564 /nfs/dbraw/zinc/89/45/64/1047894564.db2.gz YCQFGDDFBUUENP-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM [O-]c1ccc(CN2CCC(c3cccc(F)c3)CC2)c(F)c1F ZINC001183652865 1047951034 /nfs/dbraw/zinc/95/10/34/1047951034.db2.gz WVHOKRGOOBEXIE-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM Cc1cccc(NC(=S)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001198690855 1047991513 /nfs/dbraw/zinc/99/15/13/1047991513.db2.gz XGWWCDBCZCNGBQ-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM CC(C)(C)OCc1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC001184079436 1047997800 /nfs/dbraw/zinc/99/78/00/1047997800.db2.gz YOSXIDJCLHPEPQ-UHFFFAOYSA-N -1 3 303.377 4.459 20 0 DIADHM CCCCOc1ccc(C(=O)NCC[C@H]2CC=CCC2)c([O-])c1 ZINC001184131501 1047999789 /nfs/dbraw/zinc/99/97/89/1047999789.db2.gz MYRXLDQCLRRTFU-HNNXBMFYSA-N -1 3 317.429 4.047 20 0 DIADHM CC(C)OC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174918175 1048028432 /nfs/dbraw/zinc/02/84/32/1048028432.db2.gz VZIYITCNULUOEP-UHFFFAOYSA-N -1 3 305.761 4.354 20 0 DIADHM Cc1c(C)c(C)c(CC(=O)Nc2ccc(F)c([O-])c2)c(C)c1C ZINC001184421236 1048040303 /nfs/dbraw/zinc/04/03/03/1048040303.db2.gz BRRFJFCYERSBNB-UHFFFAOYSA-N -1 3 315.388 4.255 20 0 DIADHM CC(C)(C)c1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccn1 ZINC001203319762 1048054014 /nfs/dbraw/zinc/05/40/14/1048054014.db2.gz XENXSULZKPGBGL-UHFFFAOYSA-N -1 3 306.312 4.099 20 0 DIADHM NC(=O)c1ccc(Nc2ccc(-c3ccccc3)cc2F)cc1[O-] ZINC001175059950 1048085745 /nfs/dbraw/zinc/08/57/45/1048085745.db2.gz CIMWBBBTQXDEDY-UHFFFAOYSA-N -1 3 322.339 4.041 20 0 DIADHM CCOc1ccc(F)c([N-]c2cc(-c3ccccn3)no2)c1F ZINC001175037580 1048101600 /nfs/dbraw/zinc/10/16/00/1048101600.db2.gz ROQJMMWGHKSFFI-UHFFFAOYSA-N -1 3 317.295 4.157 20 0 DIADHM CCOc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1F ZINC001175037832 1048102163 /nfs/dbraw/zinc/10/21/63/1048102163.db2.gz WAHLTQHTZBYMIG-UHFFFAOYSA-N -1 3 308.206 4.114 20 0 DIADHM CCOc1ccc(F)c([N-]c2cc(-c3ccco3)no2)c1F ZINC001175038618 1048103333 /nfs/dbraw/zinc/10/33/33/1048103333.db2.gz IWAOMPZQYDEYTR-UHFFFAOYSA-N -1 3 306.268 4.355 20 0 DIADHM CCOc1cc(F)c(Nc2cc([O-])c(F)cc2F)cc1F ZINC001175055619 1048114415 /nfs/dbraw/zinc/11/44/15/1048114415.db2.gz APVKEMCIKDCLCZ-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(Cc3cccnc3)cc2)c(F)c1 ZINC001175099868 1048115749 /nfs/dbraw/zinc/11/57/49/1048115749.db2.gz USIHNBOGGRKRTC-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(Br)cc2F)c(F)c1 ZINC001175099943 1048115823 /nfs/dbraw/zinc/11/58/23/1048115823.db2.gz ICBMVTJFIWHBLV-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(Br)ccc2F)c(F)c1 ZINC001175099975 1048116339 /nfs/dbraw/zinc/11/63/39/1048116339.db2.gz KLNUEJFVLAWVJM-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CC1(C)CC(=O)Nc2c(Nc3c(F)cc([O-])cc3F)cccc21 ZINC001175101930 1048118217 /nfs/dbraw/zinc/11/82/17/1048118217.db2.gz ANVSKGUTQCRNJB-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM COc1c(N)cc(C(C)(C)C)cc1Nc1c(F)cc([O-])cc1F ZINC001175102337 1048118473 /nfs/dbraw/zinc/11/84/73/1048118473.db2.gz JJVATJXRFLFTEM-UHFFFAOYSA-N -1 3 322.355 4.302 20 0 DIADHM COc1ccc(F)c(Nc2nc3c(cccc3[O-])s2)c1F ZINC001175116072 1048124609 /nfs/dbraw/zinc/12/46/09/1048124609.db2.gz FQVQBAWGJPCWSB-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(C(F)(F)F)ccc2O)c(F)c1 ZINC001175098062 1048142230 /nfs/dbraw/zinc/14/22/30/1048142230.db2.gz XASVTJRIQQMGJR-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(C(F)(F)F)cc2O)c(F)c1 ZINC001175097722 1048142443 /nfs/dbraw/zinc/14/24/43/1048142443.db2.gz VTZBCZOTOLYNPD-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM CCOc1ccc(Nc2c(F)cc([O-])cc2F)cc1OCC ZINC001175096452 1048142742 /nfs/dbraw/zinc/14/27/42/1048142742.db2.gz AUMFLPZUOQCHBM-UHFFFAOYSA-N -1 3 309.312 4.211 20 0 DIADHM Nc1cc(Cl)cc(Cl)c1Nc1c(F)cc([O-])cc1F ZINC001175096619 1048143198 /nfs/dbraw/zinc/14/31/98/1048143198.db2.gz FWWCDMPUUOSIDG-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM CCOc1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1F ZINC001175153602 1048147138 /nfs/dbraw/zinc/14/71/38/1048147138.db2.gz SAOPWEHYGVPAEB-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cc1ccc(F)c(NC(=O)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001185258425 1048153923 /nfs/dbraw/zinc/15/39/23/1048153923.db2.gz YSDSKLRMPTVTCN-UHFFFAOYSA-N -1 3 308.740 4.446 20 0 DIADHM O=C(Nc1ccc(F)c(F)c1F)Nc1c([O-])cccc1Cl ZINC001185330550 1048166548 /nfs/dbraw/zinc/16/65/48/1048166548.db2.gz XYRBVGJXXLTCCZ-UHFFFAOYSA-N -1 3 316.666 4.107 20 0 DIADHM O=C(Cc1coc2ccc3ccccc3c12)[N-]OC1CCCC1 ZINC000774873845 1048177957 /nfs/dbraw/zinc/17/79/57/1048177957.db2.gz DLPHEAFDKRUHLL-UHFFFAOYSA-N -1 3 309.365 4.119 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@@H]2CCCC3(CC3)C2)c([O-])c1 ZINC001161853865 1048186235 /nfs/dbraw/zinc/18/62/35/1048186235.db2.gz BBJLJBGKORPUIG-CQSZACIVSA-N -1 3 317.429 4.024 20 0 DIADHM C[C@@H](CC(=O)[N-]Oc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000773475033 1048195816 /nfs/dbraw/zinc/19/58/16/1048195816.db2.gz ZVUGRKIJXHNQHK-LBPRGKRZSA-N -1 3 323.314 4.309 20 0 DIADHM CC[C@@H](C)c1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC001162020695 1048215426 /nfs/dbraw/zinc/21/54/26/1048215426.db2.gz NDPHOBLRGVMAEE-CXAGYDPISA-N -1 3 323.444 4.049 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc2c(c1)CCC2 ZINC001185735883 1048219689 /nfs/dbraw/zinc/21/96/89/1048219689.db2.gz HZJFXFCGCUIFFL-UHFFFAOYSA-N -1 3 309.325 4.067 20 0 DIADHM Cc1cc(Nc2cc(Br)cc(F)c2[O-])ccc1F ZINC001175255632 1048240873 /nfs/dbraw/zinc/24/08/73/1048240873.db2.gz CSBAGXAEBHOKBW-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1ccc(F)c(Nc2nc3ccccc3nc2Cl)c1F ZINC001175262230 1048243926 /nfs/dbraw/zinc/24/39/26/1048243926.db2.gz AJVMNJNYUAQION-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM [O-]c1ccc(F)c(Nc2c(F)cccc2Br)c1F ZINC001175264287 1048244992 /nfs/dbraw/zinc/24/49/92/1048244992.db2.gz FTNBSDKTMDCHCK-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(OC(F)(F)F)c2F)c1F ZINC001175268536 1048245581 /nfs/dbraw/zinc/24/55/81/1048245581.db2.gz SOHDQKVICBIXLR-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM Cc1cnn(-c2ccccc2F)c1Nc1c(F)ccc([O-])c1F ZINC001175266270 1048245678 /nfs/dbraw/zinc/24/56/78/1048245678.db2.gz SLZRCMOPWNJYKH-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(F)c2N2CCCC2)c1F ZINC001175271558 1048248040 /nfs/dbraw/zinc/24/80/40/1048248040.db2.gz VECABYDITXXJTE-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM CC(=O)n1ccc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175269668 1048248528 /nfs/dbraw/zinc/24/85/28/1048248528.db2.gz JEZPGIHVCVLRHG-UHFFFAOYSA-N -1 3 302.280 4.029 20 0 DIADHM [O-]c1ccc(F)c(Nc2c(O)cccc2C(F)(F)F)c1F ZINC001175269106 1048248888 /nfs/dbraw/zinc/24/88/88/1048248888.db2.gz BTJIKWHWCQAZSC-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(OCC(F)(F)F)cc2)c1F ZINC001175268864 1048249014 /nfs/dbraw/zinc/24/90/14/1048249014.db2.gz ZWKGYKJNHWIWKP-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM O=C([O-])c1ccc(Nc2ccnc(C3CCC3)c2)cc1Cl ZINC001175314085 1048260546 /nfs/dbraw/zinc/26/05/46/1048260546.db2.gz BSWVFBUMHIPQHU-UHFFFAOYSA-N -1 3 302.761 4.444 20 0 DIADHM CC(C)Nc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001201489607 1048280532 /nfs/dbraw/zinc/28/05/32/1048280532.db2.gz UTIPVXDLSNUAMW-UHFFFAOYSA-N -1 3 308.385 4.142 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC001186458890 1048311848 /nfs/dbraw/zinc/31/18/48/1048311848.db2.gz BMHLYUNXGPGKKI-MRXNPFEDSA-N -1 3 316.788 4.245 20 0 DIADHM CSc1ccccc1NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001186744620 1048336967 /nfs/dbraw/zinc/33/69/67/1048336967.db2.gz IRQFJGPTELPQRZ-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM Cc1ccc(Nc2cnc(N)cc2C(F)(F)F)c(Cl)c1[O-] ZINC001175714321 1048420533 /nfs/dbraw/zinc/42/05/33/1048420533.db2.gz MVHAAGHWLMGHKN-UHFFFAOYSA-N -1 3 317.698 4.094 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccccc1C(F)(F)F ZINC001202168002 1048470541 /nfs/dbraw/zinc/47/05/41/1048470541.db2.gz KSYLMXALZRUIBS-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CSc1ccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001188075781 1048473062 /nfs/dbraw/zinc/47/30/62/1048473062.db2.gz MJHCTOZBDAVYLC-UHFFFAOYSA-N -1 3 317.292 4.059 20 0 DIADHM Cc1ccccc1NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001202187456 1048474769 /nfs/dbraw/zinc/47/47/69/1048474769.db2.gz SUYJWUORSBUHTI-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC001202256573 1048493229 /nfs/dbraw/zinc/49/32/29/1048493229.db2.gz ASTWEYOKFSAICE-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2F)c1[O-] ZINC001188411722 1048512805 /nfs/dbraw/zinc/51/28/05/1048512805.db2.gz ZMXVENDZCMVWCA-UHFFFAOYSA-N -1 3 322.723 4.031 20 0 DIADHM O=C(Nc1nc2c(cccc2[O-])s1)Nc1ccc(Cl)cc1 ZINC001202365520 1048533006 /nfs/dbraw/zinc/53/30/06/1048533006.db2.gz RZLDOZHWKDQHJT-UHFFFAOYSA-N -1 3 319.773 4.299 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H]2CCCc3ccccc32)n1 ZINC001188676801 1048540827 /nfs/dbraw/zinc/54/08/27/1048540827.db2.gz KMYCILBKRRQMAT-SWLSCSKDSA-N -1 3 300.427 4.362 20 0 DIADHM Cc1ccc(Nc2cccc([O-])c2Br)c(F)c1F ZINC001176097446 1048553322 /nfs/dbraw/zinc/55/33/22/1048553322.db2.gz MPNBUQSBENCGQK-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1ccc2ccc(F)c([N-]c3cc(-c4ccncc4)no3)c2n1 ZINC001176113390 1048570604 /nfs/dbraw/zinc/57/06/04/1048570604.db2.gz ALYGKFQVMNCZFX-UHFFFAOYSA-N -1 3 320.327 4.476 20 0 DIADHM C[C@@H](Nc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC001164144450 1048592196 /nfs/dbraw/zinc/59/21/96/1048592196.db2.gz VDTJKBQTJWGPHL-CYBMUJFWSA-N -1 3 315.380 4.193 20 0 DIADHM C[C@@H](Nc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001164144450 1048592209 /nfs/dbraw/zinc/59/22/09/1048592209.db2.gz VDTJKBQTJWGPHL-CYBMUJFWSA-N -1 3 315.380 4.193 20 0 DIADHM COc1ccc(CCCNc2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001164194758 1048602791 /nfs/dbraw/zinc/60/27/91/1048602791.db2.gz SLRLIKDIZGDFHN-UHFFFAOYSA-N -1 3 312.438 4.035 20 0 DIADHM S=C1Cc2ccc(NCc3cnc4ccccc4c3)cc2[N-]1 ZINC001164206209 1048608716 /nfs/dbraw/zinc/60/87/16/1048608716.db2.gz JXWVKOZZWHVBGT-UHFFFAOYSA-N -1 3 305.406 4.142 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1cc2ccccc2s1 ZINC001164565240 1048643471 /nfs/dbraw/zinc/64/34/71/1048643471.db2.gz MQPSUJUPMKNBQG-UHFFFAOYSA-N -1 3 300.408 4.271 20 0 DIADHM O=c1cc(COc2cccc(Cl)c2)nc(-c2ccccc2)[n-]1 ZINC001164575541 1048644680 /nfs/dbraw/zinc/64/46/80/1048644680.db2.gz ORRYYSORBJFSGD-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM O=C(Nc1cncc([O-])c1)Nc1ccccc1-c1ccccc1 ZINC001189697019 1048653431 /nfs/dbraw/zinc/65/34/31/1048653431.db2.gz ZFAKYZIBUGDMJR-UHFFFAOYSA-N -1 3 305.337 4.098 20 0 DIADHM CCc1cccc(CC)c1NC(=O)Nc1ccc([O-])c(F)c1 ZINC001189769406 1048663982 /nfs/dbraw/zinc/66/39/82/1048663982.db2.gz MMHFICFHVANLIN-UHFFFAOYSA-N -1 3 302.349 4.300 20 0 DIADHM Cc1cccc(C2=CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000568064540 1048675341 /nfs/dbraw/zinc/67/53/41/1048675341.db2.gz HTEUUBCYIXCVBP-AWEZNQCLSA-N -1 3 311.381 4.137 20 0 DIADHM Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)cc1Cl ZINC001176523595 1048706586 /nfs/dbraw/zinc/70/65/86/1048706586.db2.gz UAKKUUMIIQVFBS-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(C)(C)c1cc(C(=O)Nc2cccc([O-])c2F)cc(Cl)n1 ZINC000867058246 1048710272 /nfs/dbraw/zinc/71/02/72/1048710272.db2.gz ABGRCTAGHCIMTK-UHFFFAOYSA-N -1 3 322.767 4.130 20 0 DIADHM Cc1ccc(Nc2cn(C)nc2-c2ccccc2)c(Cl)c1[O-] ZINC001176569160 1048729183 /nfs/dbraw/zinc/72/91/83/1048729183.db2.gz YKJLOEDMPILANC-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM COC(=O)c1cnc(S[C@H](C)c2ccc(C(C)(C)C)cc2)[n-]1 ZINC001166030957 1048730975 /nfs/dbraw/zinc/73/09/75/1048730975.db2.gz YGUADJMAKRZIFU-LLVKDONJSA-N -1 3 318.442 4.347 20 0 DIADHM COC(=O)c1cnc(SCc2c(C)c(C)c(C)c(C)c2C)[n-]1 ZINC001166030237 1048731144 /nfs/dbraw/zinc/73/11/44/1048731144.db2.gz NHAAPTFVAISJOP-UHFFFAOYSA-N -1 3 318.442 4.031 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)c([O-])c1 ZINC001166231435 1048742373 /nfs/dbraw/zinc/74/23/73/1048742373.db2.gz CHZNAFJVBKCUCM-QGZVFWFLSA-N -1 3 309.409 4.295 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc(C)c1F ZINC001190499778 1048743883 /nfs/dbraw/zinc/74/38/83/1048743883.db2.gz HSDOTFBCDUKYIW-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM [O-]c1ccc(Nc2ccc(OC(F)(F)F)cc2)c(F)c1F ZINC001176641511 1048745376 /nfs/dbraw/zinc/74/53/76/1048745376.db2.gz LJJNFRXPDHUNGU-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM C[C@H](SCc1noc(-c2ccccc2[O-])n1)c1ccccc1 ZINC001166660410 1048777166 /nfs/dbraw/zinc/77/71/66/1048777166.db2.gz FJZNBRCZVPGVFB-LBPRGKRZSA-N -1 3 312.394 4.437 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C=CCCC3)cc1[O-] ZINC001166974465 1048820050 /nfs/dbraw/zinc/82/00/50/1048820050.db2.gz PLKRQSTYAYAWMQ-UHFFFAOYSA-N -1 3 321.376 4.197 20 0 DIADHM Cc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001190998368 1048831467 /nfs/dbraw/zinc/83/14/67/1048831467.db2.gz JKGBVSCDGLZPBC-UHFFFAOYSA-N -1 3 324.302 4.041 20 0 DIADHM Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001177321901 1048869016 /nfs/dbraw/zinc/86/90/16/1048869016.db2.gz MXJJEWPYRKNESX-ZDUSSCGKSA-N -1 3 323.367 4.484 20 0 DIADHM O=C(NCCCc1ccccc1)Nc1cc2ccccc2cc1[O-] ZINC001191199590 1048883869 /nfs/dbraw/zinc/88/38/69/1048883869.db2.gz CVXOYVACHBNSPV-UHFFFAOYSA-N -1 3 320.392 4.300 20 0 DIADHM Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c([O-])c3)cc2)o1 ZINC001191208278 1048884965 /nfs/dbraw/zinc/88/49/65/1048884965.db2.gz RUOHSEVXBSKFBZ-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1[O-])NC1CCCCCC1 ZINC001191270318 1048911772 /nfs/dbraw/zinc/91/17/72/1048911772.db2.gz PLUPAVNNUGFFNL-UHFFFAOYSA-N -1 3 316.323 4.255 20 0 DIADHM CCCCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC000854144913 1048943753 /nfs/dbraw/zinc/94/37/53/1048943753.db2.gz MCISEMUTCGGDOL-UHFFFAOYSA-N -1 3 311.307 4.023 20 0 DIADHM CCCCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC000854144913 1048943762 /nfs/dbraw/zinc/94/37/62/1048943762.db2.gz MCISEMUTCGGDOL-UHFFFAOYSA-N -1 3 311.307 4.023 20 0 DIADHM CCC[C@@H](CN[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000904021122 1048946653 /nfs/dbraw/zinc/94/66/53/1048946653.db2.gz OMMQBTAFKMJLRY-JSGCOSHPSA-N -1 3 318.442 4.076 20 0 DIADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cc(Cl)cs2)c1 ZINC000904046105 1048961521 /nfs/dbraw/zinc/96/15/21/1048961521.db2.gz VBCWBCUBVWSMEL-CQSZACIVSA-N -1 3 309.818 4.016 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(C)c2)c1[O-] ZINC001191770922 1048989677 /nfs/dbraw/zinc/98/96/77/1048989677.db2.gz CXLWYQMLBFLSJB-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccncc1-c1ccccc1 ZINC001191900291 1049015730 /nfs/dbraw/zinc/01/57/30/1049015730.db2.gz JVTCERXVBJCUFH-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC001212128947 1049077118 /nfs/dbraw/zinc/07/71/18/1049077118.db2.gz QXJGCBKHQNOHNM-LLVKDONJSA-N -1 3 321.895 4.039 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(CC(C)C)cc1 ZINC001192474979 1049104443 /nfs/dbraw/zinc/10/44/43/1049104443.db2.gz XXZCDIOXFYSTPN-UHFFFAOYSA-N -1 3 311.381 4.046 20 0 DIADHM CCCC[C@H](C)NC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001193065406 1049169288 /nfs/dbraw/zinc/16/92/88/1049169288.db2.gz UXFBHDASXFFJTK-VIFPVBQESA-N -1 3 304.312 4.111 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC001179489257 1049171126 /nfs/dbraw/zinc/17/11/26/1049171126.db2.gz YEXWPVTWEFNXCO-KSEUIEODSA-N -1 3 321.420 4.273 20 0 DIADHM O=C([N-]c1ccnc(F)c1F)c1csc(C2CCCCC2)n1 ZINC000857696165 1049192877 /nfs/dbraw/zinc/19/28/77/1049192877.db2.gz HXZUWKFGDCTXPJ-UHFFFAOYSA-N -1 3 323.368 4.116 20 0 DIADHM O=C(Nc1c([O-])cccc1Br)OC1CCCCC1 ZINC001193629357 1049233443 /nfs/dbraw/zinc/23/34/43/1049233443.db2.gz JAQZXYVCDKGBQU-UHFFFAOYSA-N -1 3 314.179 4.036 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])OC1CCCCC1 ZINC001193629087 1049233653 /nfs/dbraw/zinc/23/36/53/1049233653.db2.gz DHOWACAEIBHTGJ-UHFFFAOYSA-N -1 3 314.179 4.036 20 0 DIADHM O=C(NCC1CCC(F)(F)CC1)c1cc([O-])c2ccccc2c1 ZINC000506344703 1049241560 /nfs/dbraw/zinc/24/15/60/1049241560.db2.gz BGBOOOLNGYOVQT-UHFFFAOYSA-N -1 3 319.351 4.101 20 0 DIADHM O=C(Nc1ncccc1[O-])c1ccccc1-c1cccc(Cl)c1 ZINC001193802961 1049265932 /nfs/dbraw/zinc/26/59/32/1049265932.db2.gz FTEBWFVGRILSIU-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM Cc1csc(C(=O)[N-]c2c(F)cc(F)cc2F)c1Cl ZINC000485635012 1049294366 /nfs/dbraw/zinc/29/43/66/1049294366.db2.gz IIRFHIBJFWOPST-UHFFFAOYSA-N -1 3 305.708 4.380 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC=C(c3ccccc3)C2)c([O-])c1 ZINC000436958714 1049287631 /nfs/dbraw/zinc/28/76/31/1049287631.db2.gz JKEYIOLFNDHDON-UHFFFAOYSA-N -1 3 307.393 4.055 20 0 DIADHM CC(C)c1nc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccn21 ZINC000485977910 1049371824 /nfs/dbraw/zinc/37/18/24/1049371824.db2.gz NUVAYNZFJMCOQF-CMDGGOBGSA-N -1 3 320.396 4.001 20 0 DIADHM O=c1cc(C=Cc2cnc(-c3ccccc3)s2)nc(C2CC2)[n-]1 ZINC000485977827 1049372120 /nfs/dbraw/zinc/37/21/20/1049372120.db2.gz NIBUZTRLSRDONJ-CMDGGOBGSA-N -1 3 321.405 4.354 20 0 DIADHM CC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1cccc([O-])c1F)(C3)C2 ZINC000907160543 1049397452 /nfs/dbraw/zinc/39/74/52/1049397452.db2.gz CJMANRMYVPKWOS-CCHVVGMOSA-N -1 3 303.377 4.076 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)c(C)cc1Cl ZINC001194633624 1049401168 /nfs/dbraw/zinc/40/11/68/1049401168.db2.gz BOCSQRPGZAEVLN-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1Cl ZINC001194634102 1049401434 /nfs/dbraw/zinc/40/14/34/1049401434.db2.gz NJKSWMQGHQSSCV-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM C[C@@]1(NCc2ccc([O-])c(F)c2F)CCCc2ccccc21 ZINC001180778045 1049406785 /nfs/dbraw/zinc/40/67/85/1049406785.db2.gz BEZLZCUTEHMOAL-GOSISDBHSA-N -1 3 303.352 4.012 20 0 DIADHM CCC(CC)COC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC001194709427 1049419114 /nfs/dbraw/zinc/41/91/14/1049419114.db2.gz UFNKOECHVQNTLI-UHFFFAOYSA-N -1 3 305.296 4.396 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc[nH]c1C1CCC1 ZINC000486988822 1049503140 /nfs/dbraw/zinc/50/31/40/1049503140.db2.gz SAHZYZWSCODELV-UHFFFAOYSA-N -1 3 324.302 4.259 20 0 DIADHM O=C([O-])c1sccc1-c1ccc(CN2CCCCC2)c(F)c1 ZINC001205614746 1049511446 /nfs/dbraw/zinc/51/14/46/1049511446.db2.gz PPGQYBSODJOHTN-UHFFFAOYSA-N -1 3 319.401 4.238 20 0 DIADHM C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc([O-])c(F)c2F)C1 ZINC001205736704 1049548068 /nfs/dbraw/zinc/54/80/68/1049548068.db2.gz XPNMPDBTCZZMFL-DOMZBBRYSA-N -1 3 303.352 4.254 20 0 DIADHM Cc1ccc(-c2ccc(C)cc2C(=O)Nc2cncc([O-])c2)cc1 ZINC001195685989 1049554086 /nfs/dbraw/zinc/55/40/86/1049554086.db2.gz ZGBCZHZFDVUYQF-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM COc1ccc(NC(=S)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001195709479 1049560110 /nfs/dbraw/zinc/56/01/10/1049560110.db2.gz TYGITYCDVVVSRY-UHFFFAOYSA-N -1 3 322.817 4.172 20 0 DIADHM [O-]c1ccc(-c2ncc3ccc(C(F)(F)F)cc3n2)c(F)c1 ZINC001206038338 1049636324 /nfs/dbraw/zinc/63/63/24/1049636324.db2.gz VZNXXYWXKYKSEO-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CSc1cnc(-c2ccc([O-])cc2F)c(C(F)(F)F)c1 ZINC001206037312 1049636420 /nfs/dbraw/zinc/63/64/20/1049636420.db2.gz FLRUXADVVASIRK-UHFFFAOYSA-N -1 3 303.280 4.334 20 0 DIADHM [O-]c1ccc(-c2nc(N3CCCC3)cc3ccccc32)c(F)c1 ZINC001206044245 1049639871 /nfs/dbraw/zinc/63/98/71/1049639871.db2.gz GOVHLBPZGVCJLW-UHFFFAOYSA-N -1 3 308.356 4.347 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2ccc([O-])cc2F)c1 ZINC001206064321 1049645881 /nfs/dbraw/zinc/64/58/81/1049645881.db2.gz DWGCRVAYRAJLPH-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM C/C(=C/Cl)CSCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000797815966 1049651078 /nfs/dbraw/zinc/65/10/78/1049651078.db2.gz ZVFONIPJRTZSNR-TWGQIWQCSA-N -1 3 310.802 4.183 20 0 DIADHM O=c1cc(NC2=CC[C@H](C(F)(F)F)CC2)[n-]n1-c1ccccc1 ZINC001196891145 1049697866 /nfs/dbraw/zinc/69/78/66/1049697866.db2.gz ZGONKPBADKUABV-NSHDSACASA-N -1 3 323.318 4.236 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1Cl ZINC000913298660 1049859403 /nfs/dbraw/zinc/85/94/03/1049859403.db2.gz QATROKIHYMFVDY-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1Cl ZINC000913298660 1049859408 /nfs/dbraw/zinc/85/94/08/1049859408.db2.gz QATROKIHYMFVDY-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM [O-]c1cccnc1CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000572408390 1050000468 /nfs/dbraw/zinc/00/04/68/1050000468.db2.gz VJEHSSYJJZPIKM-UHFFFAOYSA-N -1 3 318.367 4.010 20 0 DIADHM CCCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001209865285 1050097445 /nfs/dbraw/zinc/09/74/45/1050097445.db2.gz OSTIMNWINWTZJD-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM COc1cc(C(F)(F)F)ccc1Nc1ccc([O-])c(F)c1F ZINC001209884062 1050100506 /nfs/dbraw/zinc/10/05/06/1050100506.db2.gz LOJCNIQJLMROHM-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1cc(Nc2cc(Br)cc(F)c2[O-])ccc1O ZINC001209980342 1050114891 /nfs/dbraw/zinc/11/48/91/1050114891.db2.gz VQIHQUWSWCUMMH-UHFFFAOYSA-N -1 3 312.138 4.051 20 0 DIADHM [O-]c1cccc(Nc2ccc3cccnc3c2)c1Br ZINC001210057240 1050131670 /nfs/dbraw/zinc/13/16/70/1050131670.db2.gz JOQFVVYSSQPTCB-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1c(F)c(F)nc(F)c1Cl ZINC001210215313 1050161474 /nfs/dbraw/zinc/16/14/74/1050161474.db2.gz DFUUDKPOCLCKGA-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM COC(=O)c1oc2ccccc2c1Nc1cccc(Cl)c1[O-] ZINC001210218043 1050161512 /nfs/dbraw/zinc/16/15/12/1050161512.db2.gz ATQINCBLIJCWGL-UHFFFAOYSA-N -1 3 317.728 4.322 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1nc(F)cc(C(F)(F)F)c1F ZINC001210216254 1050161592 /nfs/dbraw/zinc/16/15/92/1050161592.db2.gz SBMCJPOVJBEADU-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM COc1ccc2cc(Nc3cccc(Cl)c3[O-])cnc2c1 ZINC001210218072 1050162972 /nfs/dbraw/zinc/16/29/72/1050162972.db2.gz CDOOEIQCTGMXRS-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM COc1ccc(C(C)=O)c(Nc2cccc(Cl)c2[O-])c1OC ZINC001210222159 1050163250 /nfs/dbraw/zinc/16/32/50/1050163250.db2.gz QXZDXHJIKGDVQQ-UHFFFAOYSA-N -1 3 321.760 4.009 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnc2cc(C3CCC3)nn2c1 ZINC001210220153 1050163600 /nfs/dbraw/zinc/16/36/00/1050163600.db2.gz OBEHUHZIBHLBDI-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cncc(OC(F)(F)F)c1 ZINC001210218565 1050163784 /nfs/dbraw/zinc/16/37/84/1050163784.db2.gz ASZBSYCYWZHYSZ-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM COc1cc(Nc2cccc(Cl)c2[O-])c(C(C)=O)cc1OC ZINC001210218774 1050163962 /nfs/dbraw/zinc/16/39/62/1050163962.db2.gz FLCQDQUBCYCNNL-UHFFFAOYSA-N -1 3 321.760 4.009 20 0 DIADHM COC(=O)c1cc(Cl)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223075 1050165146 /nfs/dbraw/zinc/16/51/46/1050165146.db2.gz IDBWEIHKRTXBDD-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM [O-]c1cccc(Nc2cccc3ccncc32)c1Br ZINC001210233101 1050171530 /nfs/dbraw/zinc/17/15/30/1050171530.db2.gz RRERTSUYDLICGX-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM CSc1ccc(CO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000733998101 1050215313 /nfs/dbraw/zinc/21/53/13/1050215313.db2.gz NNSNGSQERSXTGV-UHFFFAOYSA-N -1 3 307.459 4.317 20 0 DIADHM CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000573616284 1050220929 /nfs/dbraw/zinc/22/09/29/1050220929.db2.gz IREFSLRGYSUKCG-QMTHXVAHSA-N -1 3 316.228 4.241 20 0 DIADHM [O-]c1c(F)cc(Nc2cccc(OCC(F)(F)F)c2)cc1F ZINC001212170758 1050262923 /nfs/dbraw/zinc/26/29/23/1050262923.db2.gz GUOOBONXSBNOLC-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM O=C([N-]c1nc(C2CC2)no1)c1sc2ccccc2c1Cl ZINC000734877989 1050326316 /nfs/dbraw/zinc/32/63/16/1050326316.db2.gz CWNMTRZDFDTEGS-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM COc1ccc2ncc(Nc3cccc([O-])c3Cl)cc2c1 ZINC001210851848 1050390036 /nfs/dbraw/zinc/39/00/36/1050390036.db2.gz NOFIRWVTMIEQBU-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cccc(Nc2ncc(C(F)(F)F)cc2F)c1Cl ZINC001210845204 1050390645 /nfs/dbraw/zinc/39/06/45/1050390645.db2.gz UXVHYDPOWIAYHJ-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM Nc1cc(Cl)nc(Cl)c1Nc1cccc([O-])c1Cl ZINC001210851795 1050391470 /nfs/dbraw/zinc/39/14/70/1050391470.db2.gz KWQSPDGXNPABRO-UHFFFAOYSA-N -1 3 304.564 4.073 20 0 DIADHM [O-]c1cccc(Nc2nc(-c3ccncc3)cs2)c1Cl ZINC001210845250 1050391326 /nfs/dbraw/zinc/39/13/26/1050391326.db2.gz WFAPDNSPOMFHRT-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Cl)n(-c2ccccc2F)n1 ZINC001210853686 1050391482 /nfs/dbraw/zinc/39/14/82/1050391482.db2.gz DNJUSUPJGPZIJZ-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC1(C)COC(c2cccc(Nc3cccc([O-])c3Cl)c2)=N1 ZINC001210859174 1050392617 /nfs/dbraw/zinc/39/26/17/1050392617.db2.gz DLROVINZPYRWEI-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM [O-]c1cccc(Nc2ccnn2-c2cccc(F)c2)c1Cl ZINC001210853726 1050393759 /nfs/dbraw/zinc/39/37/59/1050393759.db2.gz GMYDRPFKWNWGFR-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1cccc(Nc2cccc(OC3CC3)c2)c1Br ZINC001210865454 1050399576 /nfs/dbraw/zinc/39/95/76/1050399576.db2.gz SJGQCRWIUHUVPO-UHFFFAOYSA-N -1 3 320.186 4.440 20 0 DIADHM CSc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001210876860 1050403708 /nfs/dbraw/zinc/40/37/08/1050403708.db2.gz JTGRCVPKXDAYJJ-UHFFFAOYSA-N -1 3 315.373 4.183 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1ccc([O-])c(F)c1 ZINC001240787427 1050420516 /nfs/dbraw/zinc/42/05/16/1050420516.db2.gz DGSIMCBQYZHNOU-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC001212173824 1050425092 /nfs/dbraw/zinc/42/50/92/1050425092.db2.gz TWWOYROEBOYPEZ-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM [O-]c1cc(Nc2ccccc2N2CCCCC2)c(F)cc1F ZINC001210962838 1050434895 /nfs/dbraw/zinc/43/48/95/1050434895.db2.gz GTVBKFVUUGMROI-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM Cc1c([O-])ccc2c(CSC3CCCCC3)cc(=O)oc12 ZINC000058869377 1050439841 /nfs/dbraw/zinc/43/98/41/1050439841.db2.gz XLZPHFYYYOVOEQ-UHFFFAOYSA-N -1 3 304.411 4.373 20 0 DIADHM O=C(OCc1csc(C2CCCC2)n1)c1cc2occc2[n-]1 ZINC000786033443 1050445538 /nfs/dbraw/zinc/44/55/38/1050445538.db2.gz KNIHHCCJFSMSCS-UHFFFAOYSA-N -1 3 316.382 4.232 20 0 DIADHM CSc1cncc(Nc2cccc([O-])c2Br)c1 ZINC001211074149 1050465643 /nfs/dbraw/zinc/46/56/43/1050465643.db2.gz CQGDHXBANNRZRR-UHFFFAOYSA-N -1 3 311.204 4.015 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2c(Cl)cncc2Cl)c1F ZINC001214554270 1050479395 /nfs/dbraw/zinc/47/93/95/1050479395.db2.gz ORROPYDEJLYMGU-UHFFFAOYSA-N -1 3 307.539 4.052 20 0 DIADHM [O-]c1cccc(Nc2cc(O)cc(OC(F)(F)F)c2)c1Cl ZINC001211123455 1050486101 /nfs/dbraw/zinc/48/61/01/1050486101.db2.gz VGINUECZULTSNP-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2CC2CCCC2)c1[O-] ZINC001144219878 1050498728 /nfs/dbraw/zinc/49/87/28/1050498728.db2.gz NSXCOTZNYSMWIK-INIZCTEOSA-N -1 3 301.430 4.140 20 0 DIADHM CCCCCC[C@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786723768 1050511289 /nfs/dbraw/zinc/51/12/89/1050511289.db2.gz JDBURCGJUPSIBZ-AWEZNQCLSA-N -1 3 309.425 4.329 20 0 DIADHM COc1cc([N-]c2noc(C(C)(C)C)n2)cc(C(F)(F)F)c1 ZINC001211333977 1050548105 /nfs/dbraw/zinc/54/81/05/1050548105.db2.gz QBOWOMKDYJLCMY-UHFFFAOYSA-N -1 3 315.295 4.138 20 0 DIADHM CC(C)C1=NCCc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211360745 1050556198 /nfs/dbraw/zinc/55/61/98/1050556198.db2.gz WBQYHRIQGIQQTA-UHFFFAOYSA-N -1 3 301.336 4.339 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC001144559535 1050619062 /nfs/dbraw/zinc/61/90/62/1050619062.db2.gz NLBNSEUTGNPDAB-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1cc(F)c([O-])cc1F ZINC001144648779 1050640241 /nfs/dbraw/zinc/64/02/41/1050640241.db2.gz WVPQGIHBWLHQKM-KRWDZBQOSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(-c3cccc(F)c3)no2)cc1F ZINC001213375330 1050642003 /nfs/dbraw/zinc/64/20/03/1050642003.db2.gz XFEBJDUOODIORF-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(Cc3cccnc3)cc2)cc1F ZINC001213386510 1050643816 /nfs/dbraw/zinc/64/38/16/1050643816.db2.gz HDMFVAKCACCCSC-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM CC(=O)Nc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1Cl ZINC001213382092 1050644141 /nfs/dbraw/zinc/64/41/41/1050644141.db2.gz ZVURTMVNZGADMW-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1N1CCCC1 ZINC001213386476 1050644473 /nfs/dbraw/zinc/64/44/73/1050644473.db2.gz FICXIWDWGRLSPA-UHFFFAOYSA-N -1 3 320.339 4.023 20 0 DIADHM O=C(NCCC1=CCCCC1)c1cc2sccc2c([O-])c1 ZINC000788261667 1050662660 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ZINC001144869326 1050730479 /nfs/dbraw/zinc/73/04/79/1050730479.db2.gz BHMUPVIWCAQBGO-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM CC(NC(=O)c1ccccc1[O-])(c1ccccc1)c1ccccc1 ZINC001144888976 1050738946 /nfs/dbraw/zinc/73/89/46/1050738946.db2.gz ONKCRHAKBJQSKL-UHFFFAOYSA-N -1 3 317.388 4.086 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1ccc(F)c([O-])c1 ZINC001243063782 1050765686 /nfs/dbraw/zinc/76/56/86/1050765686.db2.gz WDEORWBSRUNVJV-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cccc(Nc2cnccc2C2CC2)c1Br ZINC001213880863 1050769067 /nfs/dbraw/zinc/76/90/67/1050769067.db2.gz GEQFMZOBUNVGSE-UHFFFAOYSA-N -1 3 305.175 4.171 20 0 DIADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])cc(C(F)(F)F)c1 ZINC001146375549 1050820691 /nfs/dbraw/zinc/82/06/91/1050820691.db2.gz LHWZOKWNSKASQT-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CCCCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC001146537697 1050829100 /nfs/dbraw/zinc/82/91/00/1050829100.db2.gz DYWHGDXHPFKYCM-MRXNPFEDSA-N -1 3 309.425 4.185 20 0 DIADHM [O-]c1ccc(Nc2ccc(OC(F)(F)F)cc2O)cc1Cl ZINC001214395567 1050891977 /nfs/dbraw/zinc/89/19/77/1050891977.db2.gz OTXHMRLZFZROQL-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001148068150 1050914562 /nfs/dbraw/zinc/91/45/62/1050914562.db2.gz HZIBJNFUPZERSV-IEBWSBKVSA-N -1 3 323.436 4.499 20 0 DIADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2c(C)cccc2[O-])cc1 ZINC001148096495 1050917097 /nfs/dbraw/zinc/91/70/97/1050917097.db2.gz PQICDEDIRVSKGG-UHFFFAOYSA-N -1 3 311.425 4.059 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnc(Cl)nc2Cl)c1F ZINC001214556584 1050937296 /nfs/dbraw/zinc/93/72/96/1050937296.db2.gz YYJYPGDVDXOYLD-UHFFFAOYSA-N -1 3 308.527 4.025 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc(Cl)c(CO)c2)c1F ZINC001214563730 1050940498 /nfs/dbraw/zinc/94/04/98/1050940498.db2.gz PSKZVLZVHPUKQL-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2c(Cl)cnnc2Cl)c1F ZINC001214555914 1050941375 /nfs/dbraw/zinc/94/13/75/1050941375.db2.gz AILFUEGVQDBZED-UHFFFAOYSA-N -1 3 308.527 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BTOZFQKZJIQGKP-UHFFFAOYSA-N -1 3 304.218 4.136 20 0 DIADHM Cc1nc(C(F)(F)F)c(Nc2cc(F)c([O-])cc2F)s1 ZINC001215570723 1051250921 /nfs/dbraw/zinc/25/09/21/1051250921.db2.gz MFORSCVFVSWSKM-UHFFFAOYSA-N -1 3 310.247 4.198 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(CCc3ccccc3)no2)cc1F ZINC001215570013 1051251140 /nfs/dbraw/zinc/25/11/40/1051251140.db2.gz KXUPVFSRSWVRNZ-UHFFFAOYSA-N -1 3 316.307 4.187 20 0 DIADHM COc1cccc(-c2cc(Nc3cc(F)c([O-])cc3F)on2)c1 ZINC001215570915 1051252274 /nfs/dbraw/zinc/25/22/74/1051252274.db2.gz QTPNTWZCWZECTL-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(Cl)c(CO)c3F)nc21 ZINC001215605055 1051270257 /nfs/dbraw/zinc/27/02/57/1051270257.db2.gz FSUVKHNOEPYRMG-UHFFFAOYSA-N -1 3 324.764 4.030 20 0 DIADHM Cc1ccc(Nc2ccc(Cl)c(CO)c2F)c(Cl)c1[O-] ZINC001215608740 1051274346 /nfs/dbraw/zinc/27/43/46/1051274346.db2.gz MVPFREIMUUDWFR-UHFFFAOYSA-N -1 3 316.159 4.382 20 0 DIADHM Nc1ccc(N(c2c(Cl)ccc([O-])c2F)C2CCCC2)nc1 ZINC001214558002 1051295107 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CCC(=O)c1ccc(OC(=O)c2cc3ccsc3[n-]2)c(F)c1 ZINC000766552339 1051471830 /nfs/dbraw/zinc/47/18/30/1051471830.db2.gz IZGUZQKJHABDAY-UHFFFAOYSA-N -1 3 317.341 4.180 20 0 DIADHM CC(C)c1ccc(N)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001216020355 1051527953 /nfs/dbraw/zinc/52/79/53/1051527953.db2.gz FMULYSKUIDSYLJ-UHFFFAOYSA-N -1 3 308.385 4.027 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1c(F)cc(C)cc1F ZINC001129823810 1051533698 /nfs/dbraw/zinc/53/36/98/1051533698.db2.gz HQLWJKQNONBNGY-UHFFFAOYSA-N -1 3 323.364 4.256 20 0 DIADHM Nc1ccc(Nc2cccc([O-])c2Cl)cc1C(F)(F)F ZINC001216051906 1051548941 /nfs/dbraw/zinc/54/89/41/1051548941.db2.gz MRRKEEOVIHEOCY-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Fc1ncc(-c2ccccc2)cc1[N-]c1noc2cccnc12 ZINC001216068640 1051560187 /nfs/dbraw/zinc/56/01/87/1051560187.db2.gz RZKRBVVBNYVFBC-UHFFFAOYSA-N -1 3 306.300 4.168 20 0 DIADHM COc1ccc(C(C)=O)c(Nc2cc(C)c(F)c([O-])c2)c1Cl ZINC001216083054 1051568466 /nfs/dbraw/zinc/56/84/66/1051568466.db2.gz MAPPQBJTQIDMRS-UHFFFAOYSA-N -1 3 323.751 4.448 20 0 DIADHM Cc1cc(Nc2ccc(C(=O)C(F)(F)F)cc2)cc([O-])c1F ZINC001216080867 1051568904 /nfs/dbraw/zinc/56/89/04/1051568904.db2.gz MLXDZFSSCNFZTC-UHFFFAOYSA-N -1 3 313.250 4.328 20 0 DIADHM CCOc1ccc(NC(=S)Nc2ccc(Cl)cc2[O-])cc1 ZINC000753902899 1051583302 /nfs/dbraw/zinc/58/33/02/1051583302.db2.gz QNCXNFFEIKHXMO-UHFFFAOYSA-N -1 3 322.817 4.253 20 0 DIADHM [O-]c1cc(Nc2csc(Br)n2)ccc1Cl ZINC001212589314 1051586189 /nfs/dbraw/zinc/58/61/89/1051586189.db2.gz FQKGYTFEIUXAQA-UHFFFAOYSA-N -1 3 305.584 4.008 20 0 DIADHM COc1ccc2cc(Nc3ccc(Cl)c([O-])c3)cnc2c1 ZINC001212589637 1051592675 /nfs/dbraw/zinc/59/26/75/1051592675.db2.gz WKQADKAQLLGZEP-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cc(Nc2ccc3nnc(C4CCC4)n3c2)ccc1Cl ZINC001212590316 1051617233 /nfs/dbraw/zinc/61/72/33/1051617233.db2.gz GLAHZGRQSQAACX-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM [O-]c1cc(Nc2cncc(N3CCCCC3)c2)ccc1Cl ZINC001212590378 1051620726 /nfs/dbraw/zinc/62/07/26/1051620726.db2.gz JUVSVDQTSSAXFW-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM CC(C)(C)c1nc2ccc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212591328 1051645158 /nfs/dbraw/zinc/64/51/58/1051645158.db2.gz GXPBBFZTZZDEOY-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1cc(Nc2cnc3c(C4CCC4)cnn3c2)ccc1Cl ZINC001212591417 1051645997 /nfs/dbraw/zinc/64/59/97/1051645997.db2.gz LHUCBGOOBWBVHT-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM [O-]c1cc(Nc2cc(OC(F)(F)F)ccn2)ccc1Cl ZINC001212591576 1051646961 /nfs/dbraw/zinc/64/69/61/1051646961.db2.gz TZXQNNPEBDFLHA-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1OC(C)C ZINC001216249526 1051656932 /nfs/dbraw/zinc/65/69/32/1051656932.db2.gz JQWGLDLVIXYHHN-UHFFFAOYSA-N -1 3 309.312 4.210 20 0 DIADHM Nc1ccc(Nc2ccc(Cl)c([O-])c2)c(C(F)(F)F)c1 ZINC001212592173 1051661988 /nfs/dbraw/zinc/66/19/88/1051661988.db2.gz BTHBSSILUYPRJC-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3ccc4ccccc4c3)no2)c(O)c1 ZINC001216272456 1051666395 /nfs/dbraw/zinc/66/63/95/1051666395.db2.gz XDBSNAOPHVMGNT-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM Cc1cc(Cl)ncc1Nc1cccc([O-])c1Br ZINC001216282398 1051673339 /nfs/dbraw/zinc/67/33/39/1051673339.db2.gz OSLDMCPOYGJNMO-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc2sc(Nc3c(Cl)ccnc3Cl)nc21 ZINC001216300139 1051683326 /nfs/dbraw/zinc/68/33/26/1051683326.db2.gz IUXWOLKDMRTLSC-UHFFFAOYSA-N -1 3 312.181 4.447 20 0 DIADHM Cc1c(O)cccc1Nc1cc(Br)cc(F)c1[O-] ZINC001216322097 1051699497 /nfs/dbraw/zinc/69/94/97/1051699497.db2.gz SGEJLUWIORDOAB-UHFFFAOYSA-N -1 3 312.138 4.051 20 0 DIADHM CC1(C)Cc2c(Nc3ccc(Cl)c([O-])c3)cccc2NC1=O ZINC001212595461 1051702814 /nfs/dbraw/zinc/70/28/14/1051702814.db2.gz VJNWDMKXQWPIDJ-UHFFFAOYSA-N -1 3 316.788 4.310 20 0 DIADHM CC(C)(O)c1cc(F)cc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001216488241 1051787636 /nfs/dbraw/zinc/78/76/36/1051787636.db2.gz JSAUDUSTTPKIJI-UHFFFAOYSA-N -1 3 318.373 4.112 20 0 DIADHM Nc1c(Cl)cccc1Nc1cccc([O-])c1Br ZINC001216530370 1051807517 /nfs/dbraw/zinc/80/75/17/1051807517.db2.gz WJPVSTWFLRENKA-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001216536111 1051808792 /nfs/dbraw/zinc/80/87/92/1051808792.db2.gz CJCRWURHFHVHMJ-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc(C(F)(F)F)c1 ZINC000806573580 1051823521 /nfs/dbraw/zinc/82/35/21/1051823521.db2.gz MZMCLCRSYLZHET-BTHQEHEQSA-N -1 3 306.287 4.318 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1cccc(C(F)(F)F)c1 ZINC000806573579 1051823594 /nfs/dbraw/zinc/82/35/94/1051823594.db2.gz MZMCLCRSYLZHET-AZFXQDNWSA-N -1 3 306.287 4.318 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1c(F)cccc1F ZINC001173862328 1051833989 /nfs/dbraw/zinc/83/39/89/1051833989.db2.gz RDHFOCOHDRYKPV-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1ccc(F)cc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702587 1051866182 /nfs/dbraw/zinc/86/61/82/1051866182.db2.gz WJWIEDQFXXYUCS-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cc(F)cc(F)c3)no2)c1 ZINC001216701782 1051866484 /nfs/dbraw/zinc/86/64/84/1051866484.db2.gz AQTSPWXHASGKGL-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001216735239 1051869854 /nfs/dbraw/zinc/86/98/54/1051869854.db2.gz FBHPWRIQYHZFEO-UHFFFAOYSA-N -1 3 310.334 4.030 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244049268 1051897398 /nfs/dbraw/zinc/89/73/98/1051897398.db2.gz XOTHVOPPAUSRKX-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1cccc(Cl)c1-c1cnc2nc(C(F)(F)F)oc2c1 ZINC001244049534 1051898589 /nfs/dbraw/zinc/89/85/89/1051898589.db2.gz CZOPVXQWYGLMPO-UHFFFAOYSA-N -1 3 314.650 4.268 20 0 DIADHM [O-]c1cccc(Nc2ccc(F)cc2F)c1Br ZINC001173927586 1051900168 /nfs/dbraw/zinc/90/01/68/1051900168.db2.gz IOKVBFVSNNTCSN-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cc(F)ccc3Cl)no2)cc1F ZINC001216895625 1051903188 /nfs/dbraw/zinc/90/31/88/1051903188.db2.gz XEKZJAPYHQXCJN-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4c(ccn4C)c3)no2)cc1F ZINC001216896349 1051903362 /nfs/dbraw/zinc/90/33/62/1051903362.db2.gz YSVPPDZLSXYCGF-UHFFFAOYSA-N -1 3 323.327 4.048 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cccc(F)c1F ZINC001173948146 1051913999 /nfs/dbraw/zinc/91/39/99/1051913999.db2.gz MLGYWXQQUPSHBM-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1cccc(Nc2cccc([O-])c2Br)c1F ZINC001173973974 1051936063 /nfs/dbraw/zinc/93/60/63/1051936063.db2.gz GDPOPUJYXKMGQV-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCOC2CCC2)s1 ZINC000808012939 1051967806 /nfs/dbraw/zinc/96/78/06/1051967806.db2.gz ZLDDHNGXHMOTSG-UHFFFAOYSA-N -1 3 311.407 4.040 20 0 DIADHM Cc1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc1Cl ZINC001217136862 1051972824 /nfs/dbraw/zinc/97/28/24/1051972824.db2.gz JSSFUHUPSHJKSL-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM Fc1ccc(Cl)c(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136460 1051973086 /nfs/dbraw/zinc/97/30/86/1051973086.db2.gz AAQLBEXQMULDRW-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1cc(-c2noc(-c3nc4ccccc4[n-]3)n2)cc(C)c1F ZINC001217136563 1051973339 /nfs/dbraw/zinc/97/33/39/1051973339.db2.gz FRXWTUVASWBHPB-UHFFFAOYSA-N -1 3 308.316 4.036 20 0 DIADHM Cc1ccc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)cc1 ZINC001217257349 1052008540 /nfs/dbraw/zinc/00/85/40/1052008540.db2.gz SMTOQBYMRFAHHL-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM Cc1ccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)cc1 ZINC001217257349 1052008545 /nfs/dbraw/zinc/00/85/45/1052008545.db2.gz SMTOQBYMRFAHHL-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2cccc(F)c2)no1 ZINC001217418673 1052048933 /nfs/dbraw/zinc/04/89/33/1052048933.db2.gz GHICEOKPYHWUAD-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2ccc(F)cc2)no1 ZINC001217418723 1052050100 /nfs/dbraw/zinc/05/01/00/1052050100.db2.gz IROIRKPDPJSPMZ-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM Cc1cc(-c2noc(-c3ccc([O-])c4ccccc34)n2)cnc1C ZINC001217436772 1052054071 /nfs/dbraw/zinc/05/40/71/1052054071.db2.gz RYNUIGIMNWIQLQ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC001217436292 1052054543 /nfs/dbraw/zinc/05/45/43/1052054543.db2.gz MEGPXHKJOAVMOD-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1cc(-c2noc(-c3ccc([O-])c4ccccc34)n2)cc(C)n1 ZINC001217436331 1052054779 /nfs/dbraw/zinc/05/47/79/1052054779.db2.gz OAEOGTTWJJKNCV-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCc1cccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1 ZINC001217442263 1052056587 /nfs/dbraw/zinc/05/65/87/1052056587.db2.gz UGTGRSPMVBKPID-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM [O-]c1cnc2ccccc2c1-c1nc(-c2cccc(Cl)c2)no1 ZINC001217441871 1052056934 /nfs/dbraw/zinc/05/69/34/1052056934.db2.gz PHNLHAGTBSBVHZ-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1c(Cl)cc(Nc2ccc3nccn3c2)c([O-])c1Cl ZINC001174279919 1052067372 /nfs/dbraw/zinc/06/73/72/1052067372.db2.gz NIAVBOYADTYJOQ-UHFFFAOYSA-N -1 3 308.168 4.399 20 0 DIADHM Cc1cccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1F ZINC001217492684 1052075011 /nfs/dbraw/zinc/07/50/11/1052075011.db2.gz JLLURMHCIDNBKQ-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1[O-] ZINC000914507132 1052123041 /nfs/dbraw/zinc/12/30/41/1052123041.db2.gz FNRADTTZGUHECJ-UHFFFAOYSA-N -1 3 323.314 4.073 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174425598 1052154344 /nfs/dbraw/zinc/15/43/44/1052154344.db2.gz DTOJFNCVYXUTTF-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM CC(C)N(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000232631418 1052320157 /nfs/dbraw/zinc/32/01/57/1052320157.db2.gz HOINQERJIXBJOJ-UHFFFAOYSA-N -1 3 303.789 4.096 20 0 DIADHM CC(C)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000232766803 1052327229 /nfs/dbraw/zinc/32/72/29/1052327229.db2.gz XWPTWOGNBGSGFU-UHFFFAOYSA-N -1 3 303.789 4.099 20 0 DIADHM O=C(Nc1ccc([O-])c(F)c1)Nc1ccccc1C(F)(F)F ZINC000315230669 1052334477 /nfs/dbraw/zinc/33/44/77/1052334477.db2.gz GWOGRVZFUMLBGA-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1[O-] ZINC000315592376 1052344177 /nfs/dbraw/zinc/34/41/77/1052344177.db2.gz QMSOAQTWXDCPRH-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CC(C)c1ccccc1OCCC(=O)Nc1cccc([O-])c1F ZINC000762316054 1052366126 /nfs/dbraw/zinc/36/61/26/1052366126.db2.gz JUDUFJLNZOWVBF-UHFFFAOYSA-N -1 3 317.360 4.062 20 0 DIADHM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000915385061 1052405671 /nfs/dbraw/zinc/40/56/71/1052405671.db2.gz ROZRFUSFFAYSAQ-JOYOIKCWSA-N -1 3 320.216 4.074 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Cl)c3cccnc23)c1[O-] ZINC000318348432 1052405941 /nfs/dbraw/zinc/40/59/41/1052405941.db2.gz VVCVJQCIZKBCDU-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)Oc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])cs1 ZINC000317097578 1052477404 /nfs/dbraw/zinc/47/74/04/1052477404.db2.gz PADPERNEXQNIHF-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM Cc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1C ZINC000025424580 1052516421 /nfs/dbraw/zinc/51/64/21/1052516421.db2.gz CWHOWSAGYBLKHF-UHFFFAOYSA-N -1 3 309.365 4.036 20 0 DIADHM [O-]c1cccc(CNCc2cccc(C(F)(F)F)c2)c1Cl ZINC000328219602 1052595381 /nfs/dbraw/zinc/59/53/81/1052595381.db2.gz LDLZLNTWYPEDQH-UHFFFAOYSA-N -1 3 315.722 4.354 20 0 DIADHM [O-]c1cccc(CNCc2ccccc2C(F)(F)F)c1Cl ZINC000328213741 1052595551 /nfs/dbraw/zinc/59/55/51/1052595551.db2.gz JGANSCMYOYAIDN-UHFFFAOYSA-N -1 3 315.722 4.354 20 0 DIADHM O=C(Oc1ccc(C(F)(F)F)cc1)c1cc2ccsc2[n-]1 ZINC000916860086 1052662165 /nfs/dbraw/zinc/66/21/65/1052662165.db2.gz XGYPRJJWDLPHNG-UHFFFAOYSA-N -1 3 311.284 4.467 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000128645542 1052739584 /nfs/dbraw/zinc/73/95/84/1052739584.db2.gz WIALVPBDZWRVFM-CVEARBPZSA-N -1 3 321.351 4.427 20 0 DIADHM CC(C)Oc1cc(F)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001212230441 1052761019 /nfs/dbraw/zinc/76/10/19/1052761019.db2.gz VBOPKDJBGFYRKQ-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM Cc1ccc([C@H](Oc2ccc3c([O-])coc3c2)C(F)(F)F)cc1 ZINC001225342796 1052777405 /nfs/dbraw/zinc/77/74/05/1052777405.db2.gz LQRCMXRMZSFXKC-INIZCTEOSA-N -1 3 322.282 4.253 20 0 DIADHM CCCc1sc(C(=O)Nc2cccc([O-])c2F)cc1CC ZINC000129456025 1052789746 /nfs/dbraw/zinc/78/97/46/1052789746.db2.gz WFDGMQFOYVNORD-UHFFFAOYSA-N -1 3 307.390 4.360 20 0 DIADHM CC(C)Sc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129519491 1052792914 /nfs/dbraw/zinc/79/29/14/1052792914.db2.gz JGKZIWXRIPPKTC-UHFFFAOYSA-N -1 3 305.374 4.284 20 0 DIADHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000556189861 1052817899 /nfs/dbraw/zinc/81/78/99/1052817899.db2.gz MFXSDUOAHWMYOX-JSGCOSHPSA-N -1 3 315.800 4.064 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCCc3c(Cl)ccnc32)c1 ZINC001225993533 1052856448 /nfs/dbraw/zinc/85/64/48/1052856448.db2.gz HBDXWKYSIKFMPO-OAHLLOKOSA-N -1 3 317.772 4.100 20 0 DIADHM CCCCC(=O)[C@@H](CCCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225993976 1052856881 /nfs/dbraw/zinc/85/68/81/1052856881.db2.gz KFHXJGOABQIQQD-QGZVFWFLSA-N -1 3 306.402 4.292 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC001225995805 1052856984 /nfs/dbraw/zinc/85/69/84/1052856984.db2.gz SQXPPBKGDCTYGR-MRXNPFEDSA-N -1 3 302.757 4.315 20 0 DIADHM CC(=O)c1ccc([O-])c(OC2CCC(C(F)(F)F)CC2)c1 ZINC001225999107 1052857556 /nfs/dbraw/zinc/85/75/56/1052857556.db2.gz SXSVBFAGXNERDL-UHFFFAOYSA-N -1 3 302.292 4.095 20 0 DIADHM CC(=O)c1ccc([O-])c(OCc2ccc(C)cc2OC(C)C)c1 ZINC001225998900 1052857627 /nfs/dbraw/zinc/85/76/27/1052857627.db2.gz KMYXPHXOKIUMTM-UHFFFAOYSA-N -1 3 314.381 4.269 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc(F)cc3)n[n-]2)o1 ZINC000919324399 1052863653 /nfs/dbraw/zinc/86/36/53/1052863653.db2.gz HQMLASJAIWEBKF-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccc(F)cc3)[n-]n2)o1 ZINC000919324399 1052863657 /nfs/dbraw/zinc/86/36/57/1052863657.db2.gz HQMLASJAIWEBKF-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM CC(C)[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226120760 1052870456 /nfs/dbraw/zinc/87/04/56/1052870456.db2.gz TWANZMSTVQMZBJ-OAHLLOKOSA-N -1 3 300.427 4.419 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001226121108 1052870559 /nfs/dbraw/zinc/87/05/59/1052870559.db2.gz ZLFHXJZAYMIDBA-AWEZNQCLSA-N -1 3 318.829 4.362 20 0 DIADHM CCCOc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000556631138 1052873046 /nfs/dbraw/zinc/87/30/46/1052873046.db2.gz AAZAIIGLWBSGKW-UHFFFAOYSA-N -1 3 323.751 4.226 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](c2ccccc2)C(C)C)c1O ZINC001226483655 1052901179 /nfs/dbraw/zinc/90/11/79/1052901179.db2.gz XTLALBFDTTWQAU-KRWDZBQOSA-N -1 3 300.354 4.077 20 0 DIADHM CCC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226483253 1052901319 /nfs/dbraw/zinc/90/13/19/1052901319.db2.gz STOCZVOUOPWGCA-INIZCTEOSA-N -1 3 300.354 4.221 20 0 DIADHM C[C@@H](Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C1CC1 ZINC001226488233 1052902027 /nfs/dbraw/zinc/90/20/27/1052902027.db2.gz CMXSGSDXDIWIFN-GFCCVEGCSA-N -1 3 322.360 4.343 20 0 DIADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(O[C@H]3C=CCC3)c2o1 ZINC001226489521 1052902432 /nfs/dbraw/zinc/90/24/32/1052902432.db2.gz KLYJLTOFTWMNAS-AWEZNQCLSA-N -1 3 320.344 4.263 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)CCc3ccccc3)cc12 ZINC001226532130 1052907388 /nfs/dbraw/zinc/90/73/88/1052907388.db2.gz OHICNYXEOUIUQX-AWEZNQCLSA-N -1 3 324.376 4.207 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCCC(C)(C)C3)cc12 ZINC001226532014 1052907741 /nfs/dbraw/zinc/90/77/41/1052907741.db2.gz LVSMUAAHDONHFK-LBPRGKRZSA-N -1 3 302.370 4.155 20 0 DIADHM CC/C=C(\C)[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531958 1052907857 /nfs/dbraw/zinc/90/78/57/1052907857.db2.gz KNBZQTYKXKQOSY-XKOZXHHJSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCCC(C)(C)C3)cc12 ZINC001226532013 1052907897 /nfs/dbraw/zinc/90/78/97/1052907897.db2.gz LVSMUAAHDONHFK-GFCCVEGCSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC[C@@H](C)[C@@H]3C)cc12 ZINC001226532888 1052908282 /nfs/dbraw/zinc/90/82/82/1052908282.db2.gz WSMFQRPUYPZDIQ-IFUGULHKSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cccc2c1[C@H](Oc1cc3c(C)cc(=O)oc3cc1[O-])CC2 ZINC001226533684 1052908471 /nfs/dbraw/zinc/90/84/71/1052908471.db2.gz GZHACCBDNRFCLK-MRXNPFEDSA-N -1 3 322.360 4.182 20 0 DIADHM CC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1F ZINC001226598518 1052914111 /nfs/dbraw/zinc/91/41/11/1052914111.db2.gz DFXVEXYJSNXWLB-HNNXBMFYSA-N -1 3 314.312 4.168 20 0 DIADHM Cc1ccc([C@H](C)Oc2c([O-])ccc3ccc(=O)oc32)c(C)c1 ZINC001226600523 1052915275 /nfs/dbraw/zinc/91/52/75/1052915275.db2.gz XPLTYKAHNYLPCN-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM [O-]c1cccc(O[C@H]2C[C@H](OCc3ccccc3)C2)c1Cl ZINC001226709782 1052923755 /nfs/dbraw/zinc/92/37/55/1052923755.db2.gz SHSQYKHZIQGEJA-HDJSIYSDSA-N -1 3 304.773 4.172 20 0 DIADHM [O-]c1cccc(OC[C@H]2CCC(c3ccccc3)=NO2)c1Cl ZINC001226710266 1052923939 /nfs/dbraw/zinc/92/39/39/1052923939.db2.gz XFGKRTXZXNBIQW-CYBMUJFWSA-N -1 3 317.772 4.008 20 0 DIADHM Cc1cc(OCc2ccc(OC(C)C)c(Cl)c2)[n-]c(=S)n1 ZINC001226801771 1052932695 /nfs/dbraw/zinc/93/26/95/1052932695.db2.gz BIVCUGZAECDOCC-UHFFFAOYSA-N -1 3 324.833 4.093 20 0 DIADHM O=c1[n-]cncc1O[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001227048725 1052956389 /nfs/dbraw/zinc/95/63/89/1052956389.db2.gz JUKOHZRRFYREFX-MRXNPFEDSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1[n-]cncc1O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001227049898 1052956579 /nfs/dbraw/zinc/95/65/79/1052956579.db2.gz XQVVUMMDBZSULH-MRXNPFEDSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1[n-]cncc1O[C@@H](c1ccccc1)c1ccccc1Cl ZINC001227050550 1052956657 /nfs/dbraw/zinc/95/66/57/1052956657.db2.gz ASORETCQXTZYHO-INIZCTEOSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@@H](Oc1c([O-])cc(Br)cc1F)c1ccco1 ZINC001227590079 1053003279 /nfs/dbraw/zinc/00/32/79/1053003279.db2.gz CNIGEIBGNAHJLP-SSDOTTSWSA-N -1 3 301.111 4.027 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)Cc1ccco1 ZINC001228135111 1053046610 /nfs/dbraw/zinc/04/66/10/1053046610.db2.gz VZTABZJGTFXNQR-LBPRGKRZSA-N -1 3 302.370 4.150 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CCCC[C@H]2F)c1 ZINC001228153532 1053047845 /nfs/dbraw/zinc/04/78/45/1053047845.db2.gz GBDXDZIIYZRTMM-WBVHZDCISA-N -1 3 314.356 4.283 20 0 DIADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001350623274 1053090039 /nfs/dbraw/zinc/09/00/39/1053090039.db2.gz ZHRTZGFYKWHRSX-UHFFFAOYSA-N -1 3 315.335 4.026 20 0 DIADHM CCCc1ncc(C(=O)[N-]c2cccc(F)c2SC)s1 ZINC000617276137 1053118943 /nfs/dbraw/zinc/11/89/43/1053118943.db2.gz XLJPFCIQGXOYLO-UHFFFAOYSA-N -1 3 310.419 4.209 20 0 DIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)c(F)c1 ZINC001318006082 1053144196 /nfs/dbraw/zinc/14/41/96/1053144196.db2.gz WGXNUSFDKXZTLE-QMMMGPOBSA-N -1 3 307.321 4.426 20 0 DIADHM CC(C)=CCC[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622011 1053148197 /nfs/dbraw/zinc/14/81/97/1053148197.db2.gz GLYNEOQGGREZHU-ZDUSSCGKSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001228622837 1053148232 /nfs/dbraw/zinc/14/82/32/1053148232.db2.gz MPOISDHWQTZUOT-NQBHXWOUSA-N -1 3 302.370 4.011 20 0 DIADHM CC[C@@H](Oc1c([O-])ccc2c(C)cc(=O)oc21)c1ccccc1 ZINC001228628323 1053149903 /nfs/dbraw/zinc/14/99/03/1053149903.db2.gz JVQKBGXUGRZOLR-MRXNPFEDSA-N -1 3 310.349 4.337 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1cccs1 ZINC001228631444 1053151170 /nfs/dbraw/zinc/15/11/70/1053151170.db2.gz XJHYYZYVWLFNGG-JTQLQIEISA-N -1 3 302.351 4.009 20 0 DIADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1cc2ccccc2s1 ZINC001228697655 1053161326 /nfs/dbraw/zinc/16/13/26/1053161326.db2.gz NCEFYBAXQDYPSG-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000089397331 1053202118 /nfs/dbraw/zinc/20/21/18/1053202118.db2.gz PRIUSOVXXUBRMN-UHFFFAOYSA-N -1 3 304.733 4.197 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCC(=O)CC1(C)C ZINC001228959395 1053212818 /nfs/dbraw/zinc/21/28/18/1053212818.db2.gz YULWZMAYMGMEIU-SFHVURJKSA-N -1 3 318.413 4.245 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCCC(=O)C1(C)C ZINC001228958239 1053213308 /nfs/dbraw/zinc/21/33/08/1053213308.db2.gz KLIUVLIRGNXJIT-SFHVURJKSA-N -1 3 318.413 4.245 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)c1ccncc1F ZINC001228960136 1053213368 /nfs/dbraw/zinc/21/33/68/1053213368.db2.gz VVAQFMRYLUBSAQ-LBPRGKRZSA-N -1 3 317.360 4.392 20 0 DIADHM CC[C@H]1CC[C@H](Oc2cc(O)cc([O-])c2Br)CC1 ZINC001229097774 1053245651 /nfs/dbraw/zinc/24/56/51/1053245651.db2.gz WXZNGWLTSOWPAK-HOMQSWHASA-N -1 3 315.207 4.208 20 0 DIADHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229098653 1053245897 /nfs/dbraw/zinc/24/58/97/1053245897.db2.gz GMYFEKCDYYQSSS-LNLATYFQSA-N -1 3 315.207 4.064 20 0 DIADHM CC[C@@H](C)C[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229101158 1053248279 /nfs/dbraw/zinc/24/82/79/1053248279.db2.gz ZYOPJAARSTWMNI-MWLCHTKSSA-N -1 3 317.223 4.454 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3ccccc3C2)c1Br ZINC001229144039 1053257656 /nfs/dbraw/zinc/25/76/56/1053257656.db2.gz ZUBOFGYTYUMBMS-CYBMUJFWSA-N -1 3 319.198 4.091 20 0 DIADHM O=C([N-]c1csnc1-c1ccccc1)c1csc(Cl)n1 ZINC001360730500 1053265553 /nfs/dbraw/zinc/26/55/53/1053265553.db2.gz KXJFIBVAXVMYTO-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM Cc1ccc2[nH]c(C(=O)Nc3cc(F)ccc3[O-])c(Cl)c2c1 ZINC001319748237 1053270558 /nfs/dbraw/zinc/27/05/58/1053270558.db2.gz KKIBDIMWUJKLOP-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM Cc1coc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1 ZINC001352443513 1053326268 /nfs/dbraw/zinc/32/62/68/1053326268.db2.gz PYABMUJLTVPFLB-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2(C)Cc3ccccc3C2)c([O-])c1 ZINC001545793837 1053366891 /nfs/dbraw/zinc/36/68/91/1053366891.db2.gz OFBPVBIKIYEHLB-UHFFFAOYSA-N -1 3 323.436 4.051 20 0 DIADHM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc([O-])c1F ZINC001545835975 1053368434 /nfs/dbraw/zinc/36/84/34/1053368434.db2.gz WSYGADHXKAXLQA-ZJUUUORDSA-N -1 3 319.298 4.229 20 0 DIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cscc1Cl ZINC001353326429 1053539690 /nfs/dbraw/zinc/53/96/90/1053539690.db2.gz KYKPYMPQFWEEHU-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc(F)c([O-])c2)c(Cl)c1 ZINC001200337046 1053571142 /nfs/dbraw/zinc/57/11/42/1053571142.db2.gz XOQTYRTVRKTHRS-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM Cc1nonc1[N-]C(=O)c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000183421430 1053655206 /nfs/dbraw/zinc/65/52/06/1053655206.db2.gz QZURMRYTWQAHMF-UHFFFAOYSA-N -1 3 311.341 4.014 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C\C(C)(C)C ZINC001324577412 1053663215 /nfs/dbraw/zinc/66/32/15/1053663215.db2.gz RXHYRLGWNQMXDA-FPLPWBNLSA-N -1 3 312.207 4.004 20 0 DIADHM CC(C(=O)Nc1c([O-])ccc(Br)c1C)=C1CCCC1 ZINC001324819207 1053682101 /nfs/dbraw/zinc/68/21/01/1053682101.db2.gz FSVSJGCMNBTBIV-UHFFFAOYSA-N -1 3 324.218 4.292 20 0 DIADHM CC(C)(C)N(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231456327 1053754517 /nfs/dbraw/zinc/75/45/17/1053754517.db2.gz SKPRFRLPSFOTJF-UHFFFAOYSA-N -1 3 315.388 4.325 20 0 DIADHM [O-]c1cccc(C(F)(F)F)c1NC(=S)Nc1ccccc1 ZINC001200839951 1054028978 /nfs/dbraw/zinc/02/89/78/1054028978.db2.gz IRZKCDJGPCOVKP-UHFFFAOYSA-N -1 3 312.316 4.220 20 0 DIADHM [O-]c1c(Cl)ccc(CN2C[C@@H]3CCCC[C@H]3C2)c1Cl ZINC001232626418 1054088350 /nfs/dbraw/zinc/08/83/50/1054088350.db2.gz YEOPMTWLQWQWPW-QWRGUYRKSA-N -1 3 300.229 4.321 20 0 DIADHM CN(CCc1ccccc1Cl)Cc1cccc([O-])c1Cl ZINC001232788481 1054120999 /nfs/dbraw/zinc/12/09/99/1054120999.db2.gz YIRJIXQKGQCLBI-UHFFFAOYSA-N -1 3 310.224 4.374 20 0 DIADHM O=C(Nc1ccc2c(c1)CCC2)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622276841 1054142490 /nfs/dbraw/zinc/14/24/90/1054142490.db2.gz KANPTJCDQIQXMT-UHFFFAOYSA-N -1 3 321.298 4.152 20 0 DIADHM Cc1cccc([C@@H]2CCCN2Cc2ccc(F)c([O-])c2F)c1 ZINC001232930919 1054149875 /nfs/dbraw/zinc/14/98/75/1054149875.db2.gz GRPOBKCVLIRXES-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232975128 1054161337 /nfs/dbraw/zinc/16/13/37/1054161337.db2.gz DUDSCVVUKNVQCM-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM [O-]c1cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc(F)c1F ZINC001232973289 1054162912 /nfs/dbraw/zinc/16/29/12/1054162912.db2.gz SDEQFTUCZBADKV-ZDUSSCGKSA-N -1 3 323.770 4.313 20 0 DIADHM CCOc1cc(/C=C/C(=O)c2cncc(C)c2)cc(Cl)c1[O-] ZINC000184771145 1054167316 /nfs/dbraw/zinc/16/73/16/1054167316.db2.gz ZNIRKPNXLADHTB-SNAWJCMRSA-N -1 3 317.772 4.044 20 0 DIADHM COc1ccsc1C(=O)/C=C/c1cc(Cl)c([O-])c(OC)c1 ZINC000184769257 1054167851 /nfs/dbraw/zinc/16/78/51/1054167851.db2.gz ZDNMGUIYQGGMCL-ONEGZZNKSA-N -1 3 324.785 4.020 20 0 DIADHM CN(Cc1cccc([O-])c1F)Cc1ccccc1C(F)(F)F ZINC001233053016 1054176558 /nfs/dbraw/zinc/17/65/58/1054176558.db2.gz GXFPQHAWRUTCPM-UHFFFAOYSA-N -1 3 313.294 4.182 20 0 DIADHM CCOc1ccc([C@@H]2CCCN2Cc2cccc([O-])c2F)cc1 ZINC001233053284 1054177464 /nfs/dbraw/zinc/17/74/64/1054177464.db2.gz NJTIPUMLVRLXQC-KRWDZBQOSA-N -1 3 315.388 4.267 20 0 DIADHM COc1cccc([C@H]2CCCCN2Cc2cccc([O-])c2F)c1 ZINC001233053130 1054178003 /nfs/dbraw/zinc/17/80/03/1054178003.db2.gz KUNJFESYWNGEBR-QGZVFWFLSA-N -1 3 315.388 4.267 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2OC(C)(C)C)c([O-])c1C ZINC000622375619 1054189020 /nfs/dbraw/zinc/18/90/20/1054189020.db2.gz JBRFCDHBSNMCJV-UHFFFAOYSA-N -1 3 313.397 4.439 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1[O-] ZINC000622400034 1054202725 /nfs/dbraw/zinc/20/27/25/1054202725.db2.gz NDTBIDMCBICRFS-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM CCc1cccc(C(=O)N(CC2CCC2)c2ccccc2)c1[O-] ZINC000622420951 1054211767 /nfs/dbraw/zinc/21/17/67/1054211767.db2.gz IZUGCYGTVXPFNS-UHFFFAOYSA-N -1 3 309.409 4.402 20 0 DIADHM Cc1sc(-c2ccco2)nc1C(=O)[N-]c1cnoc1C(C)C ZINC001336053221 1054231040 /nfs/dbraw/zinc/23/10/40/1054231040.db2.gz NSINKKJVDKIKAK-UHFFFAOYSA-N -1 3 317.370 4.075 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1CCC1CCCC1 ZINC000622448061 1054240111 /nfs/dbraw/zinc/24/01/11/1054240111.db2.gz YVPIDJIQYGNTJX-INIZCTEOSA-N -1 3 319.420 4.035 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H]2Cc2ccc(F)cc2)c1F ZINC001233397236 1054258929 /nfs/dbraw/zinc/25/89/29/1054258929.db2.gz QMVSAVQKJGUQDS-AWEZNQCLSA-N -1 3 321.342 4.017 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)Cc1c(F)ccc([O-])c1F ZINC001233396226 1054259240 /nfs/dbraw/zinc/25/92/40/1054259240.db2.gz QLFLKFCKBNYYCR-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)cc1 ZINC001233395619 1054259665 /nfs/dbraw/zinc/25/96/65/1054259665.db2.gz FQKZUPZLBBLKIR-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(C(C)(F)F)c2)c1[O-] ZINC000622541427 1054276753 /nfs/dbraw/zinc/27/67/53/1054276753.db2.gz QFDYAXGNVBHFNV-UHFFFAOYSA-N -1 3 305.324 4.319 20 0 DIADHM CC(C)[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000622562905 1054281817 /nfs/dbraw/zinc/28/18/17/1054281817.db2.gz SNSKLQKLNAUKOG-OAHLLOKOSA-N -1 3 315.800 4.446 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1CCc2ccccc2O1 ZINC001233592088 1054304012 /nfs/dbraw/zinc/30/40/12/1054304012.db2.gz JKEYUBPZSJJDSE-CYBMUJFWSA-N -1 3 304.773 4.127 20 0 DIADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1ccc(C(F)(F)F)cc1 ZINC001233678166 1054328961 /nfs/dbraw/zinc/32/89/61/1054328961.db2.gz TYBYIJMOQIWPSO-SNVBAGLBSA-N -1 3 322.282 4.421 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)c([O-])c1 ZINC000622667787 1054332024 /nfs/dbraw/zinc/33/20/24/1054332024.db2.gz SRKCTMCKGRMSCB-QGZVFWFLSA-N -1 3 313.372 4.125 20 0 DIADHM [O-]c1coc2ccc(OC3CC(c4ccccc4Cl)C3)cc12 ZINC001233681549 1054332563 /nfs/dbraw/zinc/33/25/63/1054332563.db2.gz XHIQLUSZLRJCHD-UHFFFAOYSA-N -1 3 314.768 4.240 20 0 DIADHM CC[C@H](Oc1ccc2occ([O-])c2c1)c1cccc(F)c1C ZINC001233681032 1054333183 /nfs/dbraw/zinc/33/31/83/1054333183.db2.gz QAENOBUEGNSIJT-KRWDZBQOSA-N -1 3 300.329 4.239 20 0 DIADHM CC(C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000622675631 1054336022 /nfs/dbraw/zinc/33/60/22/1054336022.db2.gz SAFGABSOZBYJOY-UHFFFAOYSA-N -1 3 321.436 4.280 20 0 DIADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC(C)(C)C1 ZINC000622710420 1054343379 /nfs/dbraw/zinc/34/33/79/1054343379.db2.gz FMWCQFGXBHMSHK-UHFFFAOYSA-N -1 3 315.335 4.062 20 0 DIADHM CCCCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001440559760 1054358189 /nfs/dbraw/zinc/35/81/89/1054358189.db2.gz OGRQDBVOVPCMAR-UHFFFAOYSA-N -1 3 301.361 4.055 20 0 DIADHM CC(C)Cc1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC001440901742 1054375030 /nfs/dbraw/zinc/37/50/30/1054375030.db2.gz ODZHIVGRTPNXFV-UHFFFAOYSA-N -1 3 311.425 4.066 20 0 DIADHM [O-]c1cccc(O[C@H](c2ccccc2)C2CCOCC2)c1F ZINC001233873419 1054378476 /nfs/dbraw/zinc/37/84/76/1054378476.db2.gz YEKKSKDHWPUDEP-GOSISDBHSA-N -1 3 302.345 4.078 20 0 DIADHM [O-]c1cccc(O[C@H]2CCc3c2cccc3Br)c1F ZINC001233871198 1054378605 /nfs/dbraw/zinc/37/86/05/1054378605.db2.gz MEBCAPZIFXDRFH-ZDUSSCGKSA-N -1 3 323.161 4.360 20 0 DIADHM CCOc1ccc([C@@H](C)Oc2cccc([O-])c2F)c(OCC)c1 ZINC001233871870 1054378625 /nfs/dbraw/zinc/37/86/25/1054378625.db2.gz QWBYCGHVAIJDHH-GFCCVEGCSA-N -1 3 320.360 4.469 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001441138987 1054384790 /nfs/dbraw/zinc/38/47/90/1054384790.db2.gz UOMNFYRJWQWIHW-HOTGVXAUSA-N -1 3 303.446 4.289 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001441189958 1054386545 /nfs/dbraw/zinc/38/65/45/1054386545.db2.gz JUGGUPHJUXCYIB-RISCZKNCSA-N -1 3 303.427 4.306 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c([O-])c1 ZINC001545943690 1054396391 /nfs/dbraw/zinc/39/63/91/1054396391.db2.gz LDPZEGPNGWLPBL-UHFFFAOYSA-N -1 3 313.397 4.210 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1[O-] ZINC001441744066 1054398137 /nfs/dbraw/zinc/39/81/37/1054398137.db2.gz ROMAVHUGNXYNDO-GOSISDBHSA-N -1 3 323.436 4.192 20 0 DIADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@H]1CCc2ccccc21 ZINC001442390336 1054419188 /nfs/dbraw/zinc/41/91/88/1054419188.db2.gz FIRKNAFFDYDJGE-IBGZPJMESA-N -1 3 323.436 4.494 20 0 DIADHM C[C@H]1COc2ccccc2[C@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC001342658397 1054428405 /nfs/dbraw/zinc/42/84/05/1054428405.db2.gz NKHUWKFGDBTXBK-BONVTDFDSA-N -1 3 313.378 4.156 20 0 DIADHM COc1cc(/C=C/C(=O)c2sccc2C)cc(Cl)c1[O-] ZINC000072614329 1054435545 /nfs/dbraw/zinc/43/55/45/1054435545.db2.gz QCGXWGHJBOCZFM-ONEGZZNKSA-N -1 3 308.786 4.320 20 0 DIADHM COc1cccc2cc(CNCc3cccc([O-])c3Cl)oc21 ZINC001343895783 1054455536 /nfs/dbraw/zinc/45/55/36/1054455536.db2.gz ORIQEMGTAFZSPE-UHFFFAOYSA-N -1 3 317.772 4.090 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@H]2CCc3c2nccc3Cl)c1F ZINC001234266115 1054479581 /nfs/dbraw/zinc/47/95/81/1054479581.db2.gz YHFOTLMKHURZRO-NSHDSACASA-N -1 3 314.143 4.299 20 0 DIADHM [O-]c1ccc(Cl)c(OC2CC(OCc3ccccc3)C2)c1F ZINC001234265545 1054479754 /nfs/dbraw/zinc/47/97/54/1054479754.db2.gz WYWNDZJXBZNXDB-UHFFFAOYSA-N -1 3 322.763 4.311 20 0 DIADHM CSc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC001445214169 1054498838 /nfs/dbraw/zinc/49/88/38/1054498838.db2.gz LWZFCCSGRFVTNK-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1Cl ZINC000174872015 1054517028 /nfs/dbraw/zinc/51/70/28/1054517028.db2.gz IXQMGWRFNBCGOR-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM COc1ccc(F)c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001445559641 1054510159 /nfs/dbraw/zinc/51/01/59/1054510159.db2.gz CMARCYTWYGGTOC-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c([O-])c1 ZINC001445722857 1054515859 /nfs/dbraw/zinc/51/58/59/1054515859.db2.gz QCXLNSVWZRADHX-QGZVFWFLSA-N -1 3 309.409 4.107 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000623048573 1054520942 /nfs/dbraw/zinc/52/09/42/1054520942.db2.gz BYJXPHYMJMVGCG-GFCCVEGCSA-N -1 3 304.773 4.128 20 0 DIADHM Cc1ccccc1OC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234443513 1054523638 /nfs/dbraw/zinc/52/36/38/1054523638.db2.gz HWGLUBMQYYTQQF-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1cccc(N(C)C)c1 ZINC001234446408 1054524439 /nfs/dbraw/zinc/52/44/39/1054524439.db2.gz DVNVORPUDOCSPM-SNVBAGLBSA-N -1 3 309.768 4.391 20 0 DIADHM CCc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C ZINC001446257010 1054531600 /nfs/dbraw/zinc/53/16/00/1054531600.db2.gz HHEMJTMASUUJOI-UHFFFAOYSA-N -1 3 309.409 4.394 20 0 DIADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC001446524421 1054538234 /nfs/dbraw/zinc/53/82/34/1054538234.db2.gz HNFXJJNRHVUFOP-SECBINFHSA-N -1 3 310.180 4.441 20 0 DIADHM CCC[C@@H](C(=O)Nc1cc(Br)ccc1[O-])C(C)C ZINC001447278539 1054557846 /nfs/dbraw/zinc/55/78/46/1054557846.db2.gz PQJIDXDLEFNTKX-LLVKDONJSA-N -1 3 314.223 4.166 20 0 DIADHM CC(C)CC(C)(C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447280880 1054558827 /nfs/dbraw/zinc/55/88/27/1054558827.db2.gz ZZQSWEWQMCZUGO-UHFFFAOYSA-N -1 3 314.223 4.166 20 0 DIADHM O=c1[n-]cnc(O[C@@H]2CCc3cc(F)ccc32)c1-c1ccccc1 ZINC001234692226 1054578279 /nfs/dbraw/zinc/57/82/79/1054578279.db2.gz MQRLBSVFKNSNDB-MRXNPFEDSA-N -1 3 322.339 4.055 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687778 1054578472 /nfs/dbraw/zinc/57/84/72/1054578472.db2.gz BHZBCMHNXUAYDS-QGZVFWFLSA-N -1 3 318.376 4.224 20 0 DIADHM Cc1cccc([C@H](C)Oc2nc[n-]c(=O)c2-c2ccccc2)c1 ZINC001234693318 1054580503 /nfs/dbraw/zinc/58/05/03/1054580503.db2.gz WBMUWSPENQZJLC-AWEZNQCLSA-N -1 3 306.365 4.298 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2cccs2)c1C(C)=O ZINC001234791538 1054590542 /nfs/dbraw/zinc/59/05/42/1054590542.db2.gz ODRCJUYMPUEBFX-NSHDSACASA-N -1 3 306.383 4.113 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2cccc(F)c2)c1C(C)=O ZINC001234791742 1054590640 /nfs/dbraw/zinc/59/06/40/1054590640.db2.gz RENBXXJJEZKHBY-GFCCVEGCSA-N -1 3 318.344 4.191 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2ccc(C)cc2)c1C(C)=O ZINC001234794074 1054593710 /nfs/dbraw/zinc/59/37/10/1054593710.db2.gz XZRVIDWYRFXQSO-CQSZACIVSA-N -1 3 314.381 4.360 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC001448339567 1054595124 /nfs/dbraw/zinc/59/51/24/1054595124.db2.gz AHENWDQWFSGDES-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM COc1ccc([C@H](Oc2nc3ccsc3[n-]2)C(C)C)cc1 ZINC001234847152 1054599783 /nfs/dbraw/zinc/59/97/83/1054599783.db2.gz GYSQTIVSELNCRP-CQSZACIVSA-N -1 3 302.399 4.409 20 0 DIADHM COc1ccc([C@H](Oc2nc3sccc3[n-]2)C(C)C)cc1 ZINC001234847152 1054599799 /nfs/dbraw/zinc/59/97/99/1054599799.db2.gz GYSQTIVSELNCRP-CQSZACIVSA-N -1 3 302.399 4.409 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2csc(C3CCCCC3)c2)n1 ZINC001448619307 1054600957 /nfs/dbraw/zinc/60/09/57/1054600957.db2.gz KOHAQUGQKCJDTN-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM c1cc2nc(O[C@H]3CC[C@@H](OCc4ccccc4)C3)[n-]c2s1 ZINC001234854994 1054603185 /nfs/dbraw/zinc/60/31/85/1054603185.db2.gz PCLPMMLSVRUXCC-KGLIPLIRSA-N -1 3 314.410 4.141 20 0 DIADHM c1cc2[n-]c(O[C@H]3CC[C@@H](OCc4ccccc4)C3)nc2s1 ZINC001234854994 1054603190 /nfs/dbraw/zinc/60/31/90/1054603190.db2.gz PCLPMMLSVRUXCC-KGLIPLIRSA-N -1 3 314.410 4.141 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(O[C@@H](C)CC)c2)c1[O-] ZINC001450254779 1054642937 /nfs/dbraw/zinc/64/29/37/1054642937.db2.gz KPPUQBHQOSHZNF-ZDUSSCGKSA-N -1 3 313.397 4.384 20 0 DIADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(C(F)F)cc1 ZINC000185789963 1054654031 /nfs/dbraw/zinc/65/40/31/1054654031.db2.gz JDLDIVUFKPNGMP-UHFFFAOYSA-N -1 3 319.351 4.195 20 0 DIADHM O=C(NC1(C2CCC2)CCC1)c1cc2sccc2c([O-])c1 ZINC001451143897 1054670252 /nfs/dbraw/zinc/67/02/52/1054670252.db2.gz PSRNEZMPYSSHIW-UHFFFAOYSA-N -1 3 301.411 4.060 20 0 DIADHM COc1ccc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)c([O-])c1 ZINC001453061348 1054728682 /nfs/dbraw/zinc/72/86/82/1054728682.db2.gz ZHZCZSILRZMHCR-UHFFFAOYSA-N -1 3 319.445 4.078 20 0 DIADHM CCCc1ncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000180328700 1054747536 /nfs/dbraw/zinc/74/75/36/1054747536.db2.gz PALCEBXADNLUSQ-UHFFFAOYSA-N -1 3 316.760 4.280 20 0 DIADHM CC(C)Cc1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC000515935640 1054752527 /nfs/dbraw/zinc/75/25/27/1054752527.db2.gz FZZZVJOHUZKNOL-UHFFFAOYSA-N -1 3 323.468 4.265 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001454700540 1054779672 /nfs/dbraw/zinc/77/96/72/1054779672.db2.gz MHCWZZKFAOWFST-SJLPKXTDSA-N -1 3 309.409 4.021 20 0 DIADHM O=C([N-]c1cnoc1)c1sc2cc(Cl)ccc2c1Cl ZINC000623943512 1054830226 /nfs/dbraw/zinc/83/02/26/1054830226.db2.gz YQOUREBRWIQHKT-UHFFFAOYSA-N -1 3 313.165 4.448 20 0 DIADHM CSc1nc(-c2cc([O-])cc(Cl)c2)cc(C(F)(F)F)n1 ZINC001235899690 1054837592 /nfs/dbraw/zinc/83/75/92/1054837592.db2.gz NEPYKOFXMILJRE-UHFFFAOYSA-N -1 3 320.723 4.243 20 0 DIADHM COc1ccc(C(F)(F)F)c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899506 1054838042 /nfs/dbraw/zinc/83/80/42/1054838042.db2.gz GPYLQUZWYPHTSF-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM Cc1c(NC(=O)C(C)(C)C)ccnc1-c1cc([O-])cc(Cl)c1 ZINC001235899585 1054838359 /nfs/dbraw/zinc/83/83/59/1054838359.db2.gz RSCQZBQWNXBKFP-UHFFFAOYSA-N -1 3 318.804 4.401 20 0 DIADHM COc1cc(C(F)(F)F)cc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900013 1054839300 /nfs/dbraw/zinc/83/93/00/1054839300.db2.gz RUTXQTPZNARBOO-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc3c(nn2)-c2ccccc2OC3)c1 ZINC001235900450 1054839311 /nfs/dbraw/zinc/83/93/11/1054839311.db2.gz NZURCPLYWMZCBK-UHFFFAOYSA-N -1 3 310.740 4.062 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncc(F)c(Oc3ccccc3)n2)c1 ZINC001235901738 1054840565 /nfs/dbraw/zinc/84/05/65/1054840565.db2.gz YEAIPUJGJVILLG-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM COc1cc2cnc(-c3cc([O-])cc(Cl)c3)cc2cc1OC ZINC001235901872 1054840784 /nfs/dbraw/zinc/84/07/84/1054840784.db2.gz YXMUPYYWHYJMIC-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cccc(OCC(F)(F)F)n2)c1 ZINC001235900623 1054840936 /nfs/dbraw/zinc/84/09/36/1054840936.db2.gz ZLIMZUFTURVMPN-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(F)cc1F ZINC000183368140 1055042056 /nfs/dbraw/zinc/04/20/56/1055042056.db2.gz HWVZPQPTDZBIKT-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM CCOc1ncc(Cl)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001236499805 1055150959 /nfs/dbraw/zinc/15/09/59/1055150959.db2.gz WBIHXXVMDKYBDW-UHFFFAOYSA-N -1 3 304.802 4.096 20 0 DIADHM O=C(Nc1ccccc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001587121062 1055220778 /nfs/dbraw/zinc/22/07/78/1055220778.db2.gz NUMDERLBVGYLOY-UHFFFAOYSA-N -1 3 319.360 4.224 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)c([O-])c1 ZINC001587119421 1055221448 /nfs/dbraw/zinc/22/14/48/1055221448.db2.gz UIUFFOOUYLZXPI-ROUUACIJSA-N -1 3 309.409 4.315 20 0 DIADHM [O-]c1cc(CN2CCC[C@H]2c2cc(F)ccc2F)ccc1F ZINC001236706373 1055235703 /nfs/dbraw/zinc/23/57/03/1055235703.db2.gz WTNFOFZQDQBEEO-INIZCTEOSA-N -1 3 307.315 4.147 20 0 DIADHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001587245835 1055250587 /nfs/dbraw/zinc/25/05/87/1055250587.db2.gz ACROMVVYLZEJJX-DOMZBBRYSA-N -1 3 307.459 4.155 20 0 DIADHM CC[C@@H]1c2ccccc2CCN1Cc1sc(=O)[n-]c1Cl ZINC001237166064 1055390437 /nfs/dbraw/zinc/39/04/37/1055390437.db2.gz SBCBWSKAJCQFNJ-GFCCVEGCSA-N -1 3 308.834 4.012 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@]2(C)C2CCCCC2)c([O-])c1 ZINC001588180305 1055443588 /nfs/dbraw/zinc/44/35/88/1055443588.db2.gz ZDMVAEOAPLJDCH-IBGZPJMESA-N -1 3 301.430 4.140 20 0 DIADHM Cc1nocc1[N-]C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001537836918 1055455508 /nfs/dbraw/zinc/45/55/08/1055455508.db2.gz LULCAVRQXXBWSW-UHFFFAOYSA-N -1 3 305.548 4.196 20 0 DIADHM CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC000016411308 1055455489 /nfs/dbraw/zinc/45/54/89/1055455489.db2.gz NRQSDNUZUWAUMI-SFQUDFHCSA-N -1 3 320.392 4.063 20 0 DIADHM Cc1nc2ccc(NC(=O)c3cc([O-])c4ccccc4c3)cc2o1 ZINC000471699991 1055459010 /nfs/dbraw/zinc/45/90/10/1055459010.db2.gz FZCRKYMVZBNFRY-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(C)c(C)c3ncccc23)c1[O-] ZINC001620943671 1055560030 /nfs/dbraw/zinc/56/00/30/1055560030.db2.gz DVKQQCISDPSVNK-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM [O-]c1c(F)cc(CN2CCC3(CC[C@H](F)C3)CC2)cc1Cl ZINC001237992975 1055576616 /nfs/dbraw/zinc/57/66/16/1055576616.db2.gz NZLFEKKFKMHIGP-LBPRGKRZSA-N -1 3 315.791 4.289 20 0 DIADHM CC1(c2cc([N-]C(=O)c3c(F)cccc3F)no2)CCCC1 ZINC001538246685 1055576961 /nfs/dbraw/zinc/57/69/61/1055576961.db2.gz KGQSWMHJJSTERV-UHFFFAOYSA-N -1 3 306.312 4.037 20 0 DIADHM Cc1ccc(CN(C)Cc2cc(F)c([O-])c(Cl)c2)cc1C ZINC001237993927 1055577304 /nfs/dbraw/zinc/57/73/04/1055577304.db2.gz WEYINLSJAASYAN-UHFFFAOYSA-N -1 3 307.796 4.434 20 0 DIADHM COc1ccc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001595103561 1055579235 /nfs/dbraw/zinc/57/92/35/1055579235.db2.gz HDWIRPUAXDXONM-CYBMUJFWSA-N -1 3 313.397 4.015 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccccc3)C2)cc1Cl ZINC001238144850 1055612537 /nfs/dbraw/zinc/61/25/37/1055612537.db2.gz YDJBCGJEWAORIK-ZDUSSCGKSA-N -1 3 305.780 4.174 20 0 DIADHM Cc1cccc(CCN(C)Cc2cc(Cl)c([O-])cc2F)c1 ZINC001238152736 1055615764 /nfs/dbraw/zinc/61/57/64/1055615764.db2.gz QGGWHZATLISFKU-UHFFFAOYSA-N -1 3 307.796 4.168 20 0 DIADHM O=C([O-])c1cc(F)ccc1CN1CCCC[C@@H]1c1ccccc1 ZINC001238233858 1055627533 /nfs/dbraw/zinc/62/75/33/1055627533.db2.gz QWTARSYJZCNGEZ-GOSISDBHSA-N -1 3 313.372 4.251 20 0 DIADHM C[C@H]1CCC[C@H](C)N1Cc1c(Br)ccc([O-])c1F ZINC001238307900 1055639437 /nfs/dbraw/zinc/63/94/37/1055639437.db2.gz YNYMQXUDOVJNOQ-UWVGGRQHSA-N -1 3 316.214 4.057 20 0 DIADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000471873011 1055654911 /nfs/dbraw/zinc/65/49/11/1055654911.db2.gz AWOXDVXEJMLQBE-UHFFFAOYSA-N -1 3 305.377 4.211 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC2(CC(C)C)CCC2)c1 ZINC001596087676 1055668434 /nfs/dbraw/zinc/66/84/34/1055668434.db2.gz VRTRGEGONHMTQW-UHFFFAOYSA-N -1 3 307.459 4.060 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(SC(F)F)cc2)c1[O-] ZINC001538689701 1055694868 /nfs/dbraw/zinc/69/48/68/1055694868.db2.gz ZRENLWKWSIEEHX-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2cccc3ccccc32)c([O-])c1 ZINC001596420552 1055708214 /nfs/dbraw/zinc/70/82/14/1055708214.db2.gz WHXUOCIPSKSIKC-UHFFFAOYSA-N -1 3 319.404 4.380 20 0 DIADHM CCCC[C@@H]1CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565558265 1055709382 /nfs/dbraw/zinc/70/93/82/1055709382.db2.gz VPESXKLFLBAHIO-NVXWUHKLSA-N -1 3 321.436 4.329 20 0 DIADHM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(CC)cc1[O-] ZINC001565557681 1055710094 /nfs/dbraw/zinc/71/00/94/1055710094.db2.gz FUMXMPOJBQZXDR-KRWDZBQOSA-N -1 3 311.425 4.096 20 0 DIADHM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(CC)cc1[O-] ZINC001565557682 1055710276 /nfs/dbraw/zinc/71/02/76/1055710276.db2.gz FUMXMPOJBQZXDR-QGZVFWFLSA-N -1 3 311.425 4.096 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c1 ZINC001565659665 1055715690 /nfs/dbraw/zinc/71/56/90/1055715690.db2.gz AHMOJIKOVBTMTL-STQMWFEESA-N -1 3 307.459 4.059 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([O-])c1 ZINC001566018348 1055740415 /nfs/dbraw/zinc/74/04/15/1055740415.db2.gz YPPKIPQPDOTHCE-XJKSGUPXSA-N -1 3 313.397 4.161 20 0 DIADHM CCC1(CC)CN(C(=O)c2cc(C)ccc2[O-])c2ccccc21 ZINC001566659204 1055778655 /nfs/dbraw/zinc/77/86/55/1055778655.db2.gz ZMTJCLGPGYVBEI-UHFFFAOYSA-N -1 3 309.409 4.419 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c1[O-] ZINC001566883715 1055785988 /nfs/dbraw/zinc/78/59/88/1055785988.db2.gz UHQFXQFFDLPVDA-ACJLOTCBSA-N -1 3 309.409 4.008 20 0 DIADHM Cc1ccc(SCCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001567232614 1055796759 /nfs/dbraw/zinc/79/67/59/1055796759.db2.gz WUNQPHMDEFUYBQ-UHFFFAOYSA-N -1 3 321.829 4.475 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)c([O-])c1 ZINC001567368755 1055800970 /nfs/dbraw/zinc/80/09/70/1055800970.db2.gz DJVUFNMDIYLUGF-JXFKEZNVSA-N -1 3 323.436 4.390 20 0 DIADHM C[C@H](Cc1ccsc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001597208306 1055801310 /nfs/dbraw/zinc/80/13/10/1055801310.db2.gz SHRZRUGCCCFISZ-SNVBAGLBSA-N -1 3 317.435 4.029 20 0 DIADHM CCc1cc(C(=O)Nc2ncccc2[O-])sc1-c1ccccc1 ZINC001567486036 1055805613 /nfs/dbraw/zinc/80/56/13/1055805613.db2.gz XVIBJJXOBYVZID-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2cccc(C(F)F)c2)c([O-])c1 ZINC001567609833 1055808509 /nfs/dbraw/zinc/80/85/09/1055808509.db2.gz JAVRPEWRMLUUII-UHFFFAOYSA-N -1 3 319.351 4.383 20 0 DIADHM Cc1nnc(-c2ccc(-c3ccc4c(c3)[N-]C(=S)C4)cc2)o1 ZINC001239022439 1055826434 /nfs/dbraw/zinc/82/64/34/1055826434.db2.gz BVGFKLRWYXUNJJ-UHFFFAOYSA-N -1 3 307.378 4.007 20 0 DIADHM Cc1cccc(-c2cnc(NC(=O)c3cccc(C)c3[O-])s2)c1 ZINC001568738051 1055843865 /nfs/dbraw/zinc/84/38/65/1055843865.db2.gz YFELIESGXQKPOU-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCN(CC)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000060636250 1055846358 /nfs/dbraw/zinc/84/63/58/1055846358.db2.gz QPXKIITVHZQHAC-UHFFFAOYSA-N -1 3 318.804 4.144 20 0 DIADHM CCc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1OC ZINC001569182322 1055855785 /nfs/dbraw/zinc/85/57/85/1055855785.db2.gz XAGKSKSPBPGMMK-UHFFFAOYSA-N -1 3 321.376 4.369 20 0 DIADHM O=C(N[C@@H]1CCCC2(CC2)C1)c1cc2sccc2c([O-])c1 ZINC001597682475 1055863589 /nfs/dbraw/zinc/86/35/89/1055863589.db2.gz QGPQMYVXZHDIDI-GFCCVEGCSA-N -1 3 301.411 4.060 20 0 DIADHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1c([O-])cccc1Cl ZINC001569684999 1055869421 /nfs/dbraw/zinc/86/94/21/1055869421.db2.gz FVGKDGIOJWGRLF-KGLIPLIRSA-N -1 3 315.800 4.253 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)Cc1csc2ccc(Cl)cc12 ZINC001569750310 1055872129 /nfs/dbraw/zinc/87/21/29/1055872129.db2.gz RTGQTKKJLYEURL-SNVBAGLBSA-N -1 3 311.834 4.191 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(CC(C)C)cc2)c1[O-] ZINC001569925144 1055878116 /nfs/dbraw/zinc/87/81/16/1055878116.db2.gz NCPIACZSSHOLHS-UHFFFAOYSA-N -1 3 311.381 4.046 20 0 DIADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001570158441 1055888910 /nfs/dbraw/zinc/88/89/10/1055888910.db2.gz BGLVZWNSLJQYOR-PZJWPPBQSA-N -1 3 323.436 4.147 20 0 DIADHM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001570222677 1055892715 /nfs/dbraw/zinc/89/27/15/1055892715.db2.gz BMIFBPYZYYVECZ-RPVQJOFSSA-N -1 3 323.392 4.103 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001570575471 1055909016 /nfs/dbraw/zinc/90/90/16/1055909016.db2.gz CHLJCQRCYVWZFM-HKUYNNGSSA-N -1 3 323.436 4.499 20 0 DIADHM CSc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC001570648784 1055911192 /nfs/dbraw/zinc/91/11/92/1055911192.db2.gz GNKVRPLQKLEKIR-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC001539833580 1055914968 /nfs/dbraw/zinc/91/49/68/1055914968.db2.gz BDSZIPWMLISMTN-QGZVFWFLSA-N -1 3 315.438 4.241 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2cc(C)ccc2C)c1 ZINC001598206464 1055925602 /nfs/dbraw/zinc/92/56/02/1055925602.db2.gz ZNWPMLPSBLQNTF-CYBMUJFWSA-N -1 3 315.438 4.222 20 0 DIADHM CC(C)(F)c1cc([N-]C(=O)c2scnc2C2CCCC2)no1 ZINC001540234360 1055997499 /nfs/dbraw/zinc/99/74/99/1055997499.db2.gz DFVILMCTMTYSEE-UHFFFAOYSA-N -1 3 323.393 4.246 20 0 DIADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540295617 1056011484 /nfs/dbraw/zinc/01/14/84/1056011484.db2.gz HIQQEOSXNXJNGI-KXBFYZLASA-N -1 3 323.436 4.292 20 0 DIADHM [O-]c1cccc(CN2Cc3ccccc3C3(CCC3)C2)c1Cl ZINC001621324148 1056031700 /nfs/dbraw/zinc/03/17/00/1056031700.db2.gz CDIBXYGVBKCWDT-UHFFFAOYSA-N -1 3 313.828 4.483 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c([O-])c1C ZINC001540479012 1056034569 /nfs/dbraw/zinc/03/45/69/1056034569.db2.gz UEJKIBJGJZHPSJ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1cccc(C(=O)Nc2nc3c(cccc3C)s2)c1[O-] ZINC001540514127 1056040489 /nfs/dbraw/zinc/04/04/89/1056040489.db2.gz HOUCQGYCQXMZNW-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CCN(c1ccc(NC(=O)c2cccc(C)c2[O-])cc1)C(C)C ZINC001540628356 1056053092 /nfs/dbraw/zinc/05/30/92/1056053092.db2.gz MBMAAPFTUOKAHW-UHFFFAOYSA-N -1 3 312.413 4.188 20 0 DIADHM Cc1ccc2[n-]cc(C(=O)Nc3ccccc3C(C)C)c(=O)c2c1 ZINC001608604194 1056057270 /nfs/dbraw/zinc/05/72/70/1056057270.db2.gz BECMJBLORCYXDK-UHFFFAOYSA-N -1 3 320.392 4.212 20 0 DIADHM CCc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001583438742 1056081746 /nfs/dbraw/zinc/08/17/46/1056081746.db2.gz IVKPGDRHYYEDEC-UHFFFAOYSA-N -1 3 311.406 4.099 20 0 DIADHM O=C([N-]c1c(F)cccc1Cl)c1ocnc1-c1ccccc1 ZINC001128012128 1056085110 /nfs/dbraw/zinc/08/51/10/1056085110.db2.gz XVPBFNXURKSPPH-UHFFFAOYSA-N -1 3 316.719 4.386 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624515530 1056095724 /nfs/dbraw/zinc/09/57/24/1056095724.db2.gz XVJARASYYMQGAW-UHFFFAOYSA-N -1 3 315.345 4.054 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC001542093732 1056102931 /nfs/dbraw/zinc/10/29/31/1056102931.db2.gz SVETXPHSDPFDQF-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC001542098304 1056103048 /nfs/dbraw/zinc/10/30/48/1056103048.db2.gz JCKSIPPYNGODDU-SFHVURJKSA-N -1 3 323.436 4.192 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1CC1CCCCC1 ZINC001542457633 1056125183 /nfs/dbraw/zinc/12/51/83/1056125183.db2.gz FOGAJEBPVZTLKX-MRXNPFEDSA-N -1 3 319.420 4.035 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001542504696 1056127138 /nfs/dbraw/zinc/12/71/38/1056127138.db2.gz HEPSSRBDRQGNCE-BPUTZDHNSA-N -1 3 303.446 4.139 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c([O-])c1 ZINC001542902084 1056163115 /nfs/dbraw/zinc/16/31/15/1056163115.db2.gz SRPKGTXLUORHDY-OAHLLOKOSA-N -1 3 323.436 4.396 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(N(C)C(C)C)c2)c1[O-] ZINC001542884273 1056163314 /nfs/dbraw/zinc/16/33/14/1056163314.db2.gz HTBWRKUOFMGUPN-UHFFFAOYSA-N -1 3 312.413 4.052 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)c1[O-] ZINC001542921444 1056163327 /nfs/dbraw/zinc/16/33/27/1056163327.db2.gz WEBCUQPVNYXHHI-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)on1)c1ccc(C(F)F)o1 ZINC001611559626 1056172810 /nfs/dbraw/zinc/17/28/10/1056172810.db2.gz HQWXBYSOMNTLGZ-UHFFFAOYSA-N -1 3 310.281 4.186 20 0 DIADHM O=C(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1[O-] ZINC001543174279 1056183250 /nfs/dbraw/zinc/18/32/50/1056183250.db2.gz PZYPWFFZCXCPCI-QGZVFWFLSA-N -1 3 315.800 4.317 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3sccc3[C@H]2C)c([O-])c1 ZINC001543180580 1056185111 /nfs/dbraw/zinc/18/51/11/1056185111.db2.gz GCNVWFMGBQRKSZ-GFCCVEGCSA-N -1 3 315.438 4.337 20 0 DIADHM O=C(CCc1cccc2ccccc21)[N-]Oc1ccc(F)cc1 ZINC001584008309 1056235549 /nfs/dbraw/zinc/23/55/49/1056235549.db2.gz MEHFNJJECXBEJU-UHFFFAOYSA-N -1 3 309.340 4.022 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC001543570575 1056255684 /nfs/dbraw/zinc/25/56/84/1056255684.db2.gz FZEFYLADEPYQLD-HUUCEWRRSA-N -1 3 303.446 4.462 20 0 DIADHM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccccc1[O-] ZINC001584097842 1056263388 /nfs/dbraw/zinc/26/33/88/1056263388.db2.gz YMHRMJHJHCQFPN-FQEVSTJZSA-N -1 3 309.409 4.020 20 0 DIADHM CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240053220 1056288611 /nfs/dbraw/zinc/28/86/11/1056288611.db2.gz BNABESYMIZQPAX-UHFFFAOYSA-N -1 3 324.449 4.131 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1 ZINC001543848972 1056311959 /nfs/dbraw/zinc/31/19/59/1056311959.db2.gz KEJSTKIMSWULIV-SFHVURJKSA-N -1 3 309.409 4.178 20 0 DIADHM Cc1noc([N-]C(=O)c2cc3sc4ccccc4c3s2)n1 ZINC000056911412 1056333297 /nfs/dbraw/zinc/33/32/97/1056333297.db2.gz GSNYMCMQMOZKDC-UHFFFAOYSA-N -1 3 315.379 4.060 20 0 DIADHM O=C([N-]c1nc(C2CC2)no1)c1cc2cc(Cl)ccc2s1 ZINC001543949151 1056333397 /nfs/dbraw/zinc/33/33/97/1056333397.db2.gz OZJUNPWRDSRODU-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[O-] ZINC001584620684 1056381874 /nfs/dbraw/zinc/38/18/74/1056381874.db2.gz 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/nfs/dbraw/zinc/49/90/05/1056499005.db2.gz FJCGCWSTWUQDDB-ZDUSSCGKSA-N -1 3 315.388 4.188 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1c(F)ccc(F)c1F ZINC001585223823 1056510118 /nfs/dbraw/zinc/51/01/18/1056510118.db2.gz YSUDWWBGGFDXSI-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM CCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1ccccn1 ZINC001585355453 1056536692 /nfs/dbraw/zinc/53/66/92/1056536692.db2.gz DJTCTBGOBCBRBZ-KRWDZBQOSA-N -1 3 312.413 4.182 20 0 DIADHM CCc1ccc(C(=O)N2CCCC[C@@H]2CC2CCC2)c([O-])c1 ZINC001585376678 1056541212 /nfs/dbraw/zinc/54/12/12/1056541212.db2.gz UECDEDAURIPPJG-MRXNPFEDSA-N -1 3 301.430 4.140 20 0 DIADHM Cc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC001240533938 1056558641 /nfs/dbraw/zinc/55/86/41/1056558641.db2.gz YIRLDTBXMLEPLW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2cc(F)ccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC001240533938 1056558646 /nfs/dbraw/zinc/55/86/46/1056558646.db2.gz YIRLDTBXMLEPLW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c([O-])c1C ZINC001585774777 1056620240 /nfs/dbraw/zinc/62/02/40/1056620240.db2.gz FSUBHNXFKZURIJ-UHFFFAOYSA-N -1 3 324.424 4.170 20 0 DIADHM CCC1(CC)CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC001616346359 1056639303 /nfs/dbraw/zinc/63/93/03/1056639303.db2.gz MKXJBLPBWXZLLV-UHFFFAOYSA-N -1 3 309.837 4.478 20 0 DIADHM COC(=O)c1cccc(C(F)(F)F)c1-c1ccc([O-])c(F)c1 ZINC001240787009 1056697151 /nfs/dbraw/zinc/69/71/51/1056697151.db2.gz GMKIKUFVPVZEEJ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc([O-])c(F)c1 ZINC001240787022 1056697251 /nfs/dbraw/zinc/69/72/51/1056697251.db2.gz HIAKZUMISJLTJF-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)c1cc(C(F)(F)F)ccc1-c1ccc([O-])c(F)c1 ZINC001240787518 1056698476 /nfs/dbraw/zinc/69/84/76/1056698476.db2.gz JDKSEUIAZNJTPP-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1ccc(-c2cnc3[nH]c(-c4ccccc4)nc3c2)cc1F ZINC001240787088 1056698593 /nfs/dbraw/zinc/69/85/93/1056698593.db2.gz 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Cc1ccc(-c2nc(-c3ccccn3)nc3sccc32)c([O-])c1 ZINC001241036468 1056833833 /nfs/dbraw/zinc/83/38/33/1056833833.db2.gz YMZBTEPMDWVSFM-UHFFFAOYSA-N -1 3 319.389 4.434 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)cnc1-c1ccc(C)cc1[O-] ZINC001241035886 1056835015 /nfs/dbraw/zinc/83/50/15/1056835015.db2.gz HZKQTNSLEKNJFC-UHFFFAOYSA-N -1 3 319.360 4.216 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CCCCC2)c1 ZINC001617794410 1056885591 /nfs/dbraw/zinc/88/55/91/1056885591.db2.gz WZPMHZNLPPMUEM-GFCCVEGCSA-N -1 3 307.459 4.155 20 0 DIADHM Cc1nc2sc3c(c2c(-c2cc([O-])cc(F)c2)n1)CCC3 ZINC001241262998 1056986187 /nfs/dbraw/zinc/98/61/87/1056986187.db2.gz VJZVPBSFFFYEHN-UHFFFAOYSA-N -1 3 300.358 4.000 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(C(F)F)nc3ccc(F)cc32)c1 ZINC001241262349 1056986381 /nfs/dbraw/zinc/98/63/81/1056986381.db2.gz ZESNKXJTTSWBMS-UHFFFAOYSA-N -1 3 308.234 4.218 20 0 DIADHM COC(=O)C1(c2ccc(-c3cc([O-])cc(F)c3)cc2)CCCC1 ZINC001241271821 1056990211 /nfs/dbraw/zinc/99/02/11/1056990211.db2.gz 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1057001043 /nfs/dbraw/zinc/00/10/43/1057001043.db2.gz WQXCNWKTUOLNLE-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241294954 1057002029 /nfs/dbraw/zinc/00/20/29/1057002029.db2.gz BJHVVRXMQTYNJW-UHFFFAOYSA-N -1 3 320.335 4.178 20 0 DIADHM CCN(CC)Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1F ZINC001241361138 1057026975 /nfs/dbraw/zinc/02/69/75/1057026975.db2.gz RICWTGOHMBTOTC-UHFFFAOYSA-N -1 3 301.361 4.033 20 0 DIADHM Fc1c(F)c(F)c(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1F ZINC001241410844 1057044835 /nfs/dbraw/zinc/04/48/35/1057044835.db2.gz YRWKUTVFAHYHKT-UHFFFAOYSA-N -1 3 315.266 4.345 20 0 DIADHM COc1cc(Cl)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001241891344 1057202461 /nfs/dbraw/zinc/20/24/61/1057202461.db2.gz VAEJHALTYWGRJD-UHFFFAOYSA-N -1 3 320.723 4.113 20 0 DIADHM CCOc1ccc2ccccc2c1-c1cccc(-c2nnn[n-]2)c1 ZINC001241926632 1057215331 /nfs/dbraw/zinc/21/53/31/1057215331.db2.gz VGXGMCBAUDWZNV-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM CCOc1ccc2ccccc2c1-c1cccc(-c2nn[n-]n2)c1 ZINC001241926632 1057215337 /nfs/dbraw/zinc/21/53/37/1057215337.db2.gz VGXGMCBAUDWZNV-UHFFFAOYSA-N -1 3 316.364 4.086 20 0 DIADHM Cc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000243995064 1057238171 /nfs/dbraw/zinc/23/81/71/1057238171.db2.gz SFADNACCKZMEEQ-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM CO[C@@H](C)c1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242024091 1057241108 /nfs/dbraw/zinc/24/11/08/1057241108.db2.gz WNCVBHRNHVWMLK-QMMMGPOBSA-N -1 3 314.332 4.159 20 0 DIADHM Cc1ccc(-c2ccc(C(F)(F)F)cc2C)cc1-c1nnn[n-]1 ZINC001242130377 1057273899 /nfs/dbraw/zinc/27/38/99/1057273899.db2.gz AHKAQLFEGHWTHY-UHFFFAOYSA-N -1 3 318.302 4.169 20 0 DIADHM Cc1ccc(-c2ccc(C(F)(F)F)cc2C)cc1-c1nn[n-]n1 ZINC001242130377 1057273903 /nfs/dbraw/zinc/27/39/03/1057273903.db2.gz AHKAQLFEGHWTHY-UHFFFAOYSA-N -1 3 318.302 4.169 20 0 DIADHM Cc1cccc(CC2CN(C(=O)c3ccc(C(C)C)cc3[O-])C2)c1 ZINC000674746599 1057278308 /nfs/dbraw/zinc/27/83/08/1057278308.db2.gz 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1057285220 /nfs/dbraw/zinc/28/52/20/1057285220.db2.gz MJMOFKVBPGIFDB-UHFFFAOYSA-N -1 3 319.282 4.062 20 0 DIADHM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cc2c1NC(=O)CC2 ZINC001242165474 1057285461 /nfs/dbraw/zinc/28/54/61/1057285461.db2.gz DFRGORLXFIVYEX-UHFFFAOYSA-N -1 3 321.298 4.271 20 0 DIADHM O=c1ccc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2o1 ZINC001242166774 1057285830 /nfs/dbraw/zinc/28/58/30/1057285830.db2.gz XIMTZRYMBLQFGZ-UHFFFAOYSA-N -1 3 306.239 4.184 20 0 DIADHM CC(C)Oc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1F ZINC001242162775 1057285999 /nfs/dbraw/zinc/28/59/99/1057285999.db2.gz RQNIPVSKQAHNSW-UHFFFAOYSA-N -1 3 315.266 4.399 20 0 DIADHM [O-]c1ccc(-c2ccnc(OC3CCC3)c2)cc1C(F)(F)F ZINC001242168860 1057286144 /nfs/dbraw/zinc/28/61/44/1057286144.db2.gz VXPHXGBVPIMZTA-UHFFFAOYSA-N -1 3 309.287 4.404 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242219105 1057297674 /nfs/dbraw/zinc/29/76/74/1057297674.db2.gz KEVYORPPVAGEQV-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM O=C(Nc1ccccc1)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242220491 1057298147 /nfs/dbraw/zinc/29/81/47/1057298147.db2.gz AOYZUGVPDAHCPU-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM CC(=O)Nc1ccc(-c2cccc(F)c2[O-])c(C(F)(F)F)c1 ZINC001242351955 1057341959 /nfs/dbraw/zinc/34/19/59/1057341959.db2.gz DPPWCSCGQSMYOS-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)c1ccc(-c2cccc(F)c2[O-])cc1C(F)(F)F ZINC001242350532 1057342300 /nfs/dbraw/zinc/34/23/00/1057342300.db2.gz GRMBFDFZPLFSPY-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242350179 1057342897 /nfs/dbraw/zinc/34/28/97/1057342897.db2.gz BLHXYAUHUXXSGF-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM [O-]c1c(F)cccc1-c1ccnc(OCc2cccc(F)c2)c1 ZINC001242352209 1057343078 /nfs/dbraw/zinc/34/30/78/1057343078.db2.gz AVDFWFUWEKGCKN-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM FC(F)(F)c1cc(-c2cnc3sccc3c2)nc(=S)[n-]1 ZINC001242678534 1057444710 /nfs/dbraw/zinc/44/47/10/1057444710.db2.gz DJWPGZBKKAPBEB-UHFFFAOYSA-N -1 3 313.329 4.061 20 0 DIADHM [O-]c1cc(-c2nccc(-c3ccco3)n2)cc(C(F)(F)F)c1 ZINC001242780115 1057472914 /nfs/dbraw/zinc/47/29/14/1057472914.db2.gz HIZRRHZBRCRYQK-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1cc(C(C)=O)cs1 ZINC001532197578 1057516948 /nfs/dbraw/zinc/51/69/48/1057516948.db2.gz ABBGXNWCNJFDTC-UHFFFAOYSA-N -1 3 309.387 4.064 20 0 DIADHM [O-]c1cc(-c2ncnc3sc4c(c32)CCCC4)ccc1F ZINC001243048520 1057557025 /nfs/dbraw/zinc/55/70/25/1057557025.db2.gz LVOGTRWIRORCSA-UHFFFAOYSA-N -1 3 300.358 4.082 20 0 DIADHM Cc1nc(OCc2ccccc2)ccc1-c1ccc(F)c([O-])c1 ZINC001243048125 1057557063 /nfs/dbraw/zinc/55/70/63/1057557063.db2.gz HRXVNVLIDSHAOE-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM Nc1cccc(-c2cc3nc(-c4ccc(F)c([O-])c4)ccc3[nH]2)c1 ZINC001243049240 1057557455 /nfs/dbraw/zinc/55/74/55/1057557455.db2.gz SPZFMEXURJLBMM-UHFFFAOYSA-N -1 3 319.339 4.324 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)cnc1-c1ccc(F)c([O-])c1 ZINC001243046211 1057557726 /nfs/dbraw/zinc/55/77/26/1057557726.db2.gz CFDLYBKVBISEKB-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM COC(=O)c1cc(-c2ccc(F)c([O-])c2)cc(C(F)(F)F)c1 ZINC001243051651 1057559043 /nfs/dbraw/zinc/55/90/43/1057559043.db2.gz PJXWXIQXWDWDIB-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)CCCc1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243052554 1057559719 /nfs/dbraw/zinc/55/97/19/1057559719.db2.gz ZORAAOVPKNIRIH-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM Cc1cc(C(=O)[O-])cc(-c2ccc(F)c(CN3CCCC3)c2)c1 ZINC001243180717 1057594892 /nfs/dbraw/zinc/59/48/92/1057594892.db2.gz PCPAMDHBLYJUNC-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1F ZINC001243213373 1057607157 /nfs/dbraw/zinc/60/71/57/1057607157.db2.gz ORUBWQPDWXACTO-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM CC(C)(C)n1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001212572175 1057623200 /nfs/dbraw/zinc/62/32/00/1057623200.db2.gz NRKUDHQXIMYTMW-UHFFFAOYSA-N -1 3 300.189 4.394 20 0 DIADHM COc1ccccc1/C(C)=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000727485392 1057656341 /nfs/dbraw/zinc/65/63/41/1057656341.db2.gz PSBPSPZGQZJDBF-LUAWRHEFSA-N -1 3 317.772 4.096 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]1c1ccccc1 ZINC000525915912 1057657323 /nfs/dbraw/zinc/65/73/23/1057657323.db2.gz VPKZBWBXPODLQE-GOSISDBHSA-N -1 3 303.361 4.133 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000526908363 1057659085 /nfs/dbraw/zinc/65/90/85/1057659085.db2.gz JGYRJNUAEMJMKL-CQSZACIVSA-N -1 3 305.377 4.345 20 0 DIADHM O=C(Nc1ccc2ccccc2n1)c1cc([O-])c2ccccc2c1 ZINC000526843626 1057659283 /nfs/dbraw/zinc/65/92/83/1057659283.db2.gz JFFAIYPQJMHPMV-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2c1cccc2Cl ZINC000527167068 1057660867 /nfs/dbraw/zinc/66/08/67/1057660867.db2.gz ZUOANXJHSKJNHE-UHFFFAOYSA-N -1 3 323.779 4.402 20 0 DIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)c(F)c1 ZINC000527159977 1057660869 /nfs/dbraw/zinc/66/08/69/1057660869.db2.gz RJHDGWQSPCOWNX-UHFFFAOYSA-N -1 3 313.303 4.100 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000527454701 1057664165 /nfs/dbraw/zinc/66/41/65/1057664165.db2.gz DOJCKZQDQSQXCC-QGZVFWFLSA-N -1 3 317.388 4.175 20 0 DIADHM Cc1c2cccc(Cl)c2oc1C(=O)Nc1cc(F)ccc1[O-] ZINC000531372852 1057670873 /nfs/dbraw/zinc/67/08/73/1057670873.db2.gz BEQOIEIUXZZVKM-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM [O-]c1cccc(-c2cc(SCc3ccccc3)ncn2)c1F ZINC001243546133 1057709080 /nfs/dbraw/zinc/70/90/80/1057709080.db2.gz KEQRYKTWFXUJKQ-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM O=C(Nc1ccc(-c2cccc([O-])c2F)cc1)c1ccccc1 ZINC001243545250 1057709143 /nfs/dbraw/zinc/70/91/43/1057709143.db2.gz ABCXGOIKLRURDM-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM COC(=O)c1cc2cc(-c3cccc([O-])c3F)ccc2s1 ZINC001243544694 1057709208 /nfs/dbraw/zinc/70/92/08/1057709208.db2.gz JMTBYYBDFLDSJR-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM [O-]c1cccc(-c2ccc(O[C@H]3CCCCO3)cc2F)c1F ZINC001243546239 1057709331 /nfs/dbraw/zinc/70/93/31/1057709331.db2.gz KRVMSOVDDKYRJF-INIZCTEOSA-N -1 3 306.308 4.243 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3cccc([O-])c3F)cc2)CCC1 ZINC001243545365 1057709374 /nfs/dbraw/zinc/70/93/74/1057709374.db2.gz GTXHFBVUXNPRJD-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(-c3cccc([O-])c3F)nc2)cc1 ZINC001243544851 1057709521 /nfs/dbraw/zinc/70/95/21/1057709521.db2.gz WDMIZDVQPHIYPF-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM CSc1cc(F)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001243547745 1057710152 /nfs/dbraw/zinc/71/01/52/1057710152.db2.gz JCYYAXHGBZACCO-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM CC(C)(C)[C@H]1CCc2nnc(-c3cccc([O-])c3F)cc2C1 ZINC001243546902 1057710629 /nfs/dbraw/zinc/71/06/29/1057710629.db2.gz REGDNHYENDJCQN-LBPRGKRZSA-N -1 3 300.377 4.139 20 0 DIADHM CSc1ccc(Cl)cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001243608811 1057731802 /nfs/dbraw/zinc/73/18/02/1057731802.db2.gz DXNFWQWCLHBJIW-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(Cl)cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001243608811 1057731803 /nfs/dbraw/zinc/73/18/03/1057731803.db2.gz DXNFWQWCLHBJIW-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cnccc1C(F)(F)F ZINC001243609540 1057732224 /nfs/dbraw/zinc/73/22/24/1057732224.db2.gz QJTWKOSDGZCLNY-UHFFFAOYSA-N -1 3 307.193 4.492 20 0 DIADHM CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1)C1CC1 ZINC001243610781 1057732815 /nfs/dbraw/zinc/73/28/15/1057732815.db2.gz SOJMFKIRLYQWAL-UHFFFAOYSA-N -1 3 322.330 4.067 20 0 DIADHM C/C=C/c1ccc(Oc2nc3ccccc3c(=O)[n-]2)c(OC)c1 ZINC000731917118 1057759016 /nfs/dbraw/zinc/75/90/16/1057759016.db2.gz XAABKOPJMUOEAZ-ZZXKWVIFSA-N -1 3 308.337 4.169 20 0 DIADHM CCOc1ccc(C(=O)[O-])cc1-c1cccc(C2=NCCC2)c1 ZINC001244419652 1057954776 /nfs/dbraw/zinc/95/47/76/1057954776.db2.gz NDOXYIFNVQWTDH-UHFFFAOYSA-N -1 3 309.365 4.033 20 0 DIADHM CCCc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc(C)n1 ZINC001244457988 1057963480 /nfs/dbraw/zinc/96/34/80/1057963480.db2.gz VVLFVKYQORAKPU-UHFFFAOYSA-N 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/nfs/dbraw/zinc/98/11/17/1057981117.db2.gz RRCSXOSLJQWMJR-UHFFFAOYSA-N -1 3 312.319 4.411 20 0 DIADHM CCOC(=O)c1cc2cccc(-c3cc(C)c(F)c([O-])c3)c2[nH]1 ZINC001244515693 1057983147 /nfs/dbraw/zinc/98/31/47/1057983147.db2.gz KLHVTMGZLWWLEA-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM COc1ccc(-c2cc(C)c(F)c([O-])c2)c(OC(F)(F)F)c1 ZINC001244520983 1057984609 /nfs/dbraw/zinc/98/46/09/1057984609.db2.gz PMLCBCJMYOKMOR-UHFFFAOYSA-N -1 3 316.250 4.414 20 0 DIADHM Cc1cc(-c2ccc(N3CCCC3=O)cc2)cc(Cl)c1[O-] ZINC001244537147 1057988967 /nfs/dbraw/zinc/98/89/67/1057988967.db2.gz HVAHIQUNTBFFLC-UHFFFAOYSA-N -1 3 301.773 4.148 20 0 DIADHM [O-]c1ccc(Cl)c(-c2cnccc2CN2CCCCC2)c1F ZINC001244543075 1057992157 /nfs/dbraw/zinc/99/21/57/1057992157.db2.gz QQLRBNQFRIJPLG-UHFFFAOYSA-N -1 3 320.795 4.233 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cc(Cl)c1[O-] ZINC001244546786 1057992977 /nfs/dbraw/zinc/99/29/77/1057992977.db2.gz IYSVBNQHMIENQR-UHFFFAOYSA-N -1 3 301.773 4.251 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C(=O)N(C2CC2)C3)cc(Cl)c1[O-] ZINC001244546628 1057993215 /nfs/dbraw/zinc/99/32/15/1057993215.db2.gz FUZXSMBDINGTTD-UHFFFAOYSA-N -1 3 313.784 4.139 20 0 DIADHM COC(=O)[C@H](C)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244550993 1057993734 /nfs/dbraw/zinc/99/37/34/1057993734.db2.gz RIGITFIRLOPHEW-LLVKDONJSA-N -1 3 304.773 4.298 20 0 DIADHM COC(=O)c1cc(C)c(-c2cc(C)c([O-])c(Cl)c2)c(C)c1 ZINC001244551273 1057993758 /nfs/dbraw/zinc/99/37/58/1057993758.db2.gz WFMJMBOJONJYNF-UHFFFAOYSA-N -1 3 304.773 4.424 20 0 DIADHM Cc1cc(-c2ccc3c(c2)CCCC(=O)N3)cc(Cl)c1[O-] ZINC001244551002 1057993864 /nfs/dbraw/zinc/99/38/64/1057993864.db2.gz RXDFLRWNJLGEOZ-UHFFFAOYSA-N -1 3 301.773 4.296 20 0 DIADHM Cc1cc(-c2ccc3c(c2)CCC32OCCO2)cc(Cl)c1[O-] ZINC001244553976 1057994115 /nfs/dbraw/zinc/99/41/15/1057994115.db2.gz KEVMPWBMVCWQLE-UHFFFAOYSA-N -1 3 316.784 4.167 20 0 DIADHM CCOC(=O)c1ccc(OC)c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244553708 1057994146 /nfs/dbraw/zinc/99/41/46/1057994146.db2.gz HXLCTBOEIIWEPX-UHFFFAOYSA-N -1 3 320.772 4.206 20 0 DIADHM CSc1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC001244740595 1058039094 /nfs/dbraw/zinc/03/90/94/1058039094.db2.gz RQVXNHCZESMGJB-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cc1Cl ZINC001244740595 1058039099 /nfs/dbraw/zinc/03/90/99/1058039099.db2.gz RQVXNHCZESMGJB-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM Cc1c(F)ccc(F)c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244983062 1058086537 /nfs/dbraw/zinc/08/65/37/1058086537.db2.gz ZGRRPROIYICXAE-UHFFFAOYSA-N -1 3 306.259 4.038 20 0 DIADHM Cc1cc(-c2ccccc2-c2nnn[n-]2)cc(Cl)c1Cl ZINC001245041629 1058100459 /nfs/dbraw/zinc/10/04/59/1058100459.db2.gz CSTSSFMUJYNJCV-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2ccccc2-c2nn[n-]n2)cc(Cl)c1Cl ZINC001245041629 1058100461 /nfs/dbraw/zinc/10/04/61/1058100461.db2.gz CSTSSFMUJYNJCV-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM [O-]c1ccc(-c2cccc(OCC(F)(F)F)n2)c(Cl)c1 ZINC001245078559 1058107928 /nfs/dbraw/zinc/10/79/28/1058107928.db2.gz PVKVMROYMJKMGH-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM COc1cccc(-c2ccnc(-c3ccc([O-])cc3Cl)n2)c1 ZINC001245078426 1058108002 /nfs/dbraw/zinc/10/80/02/1058108002.db2.gz LUVRZFHZBFOHHK-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COc1cccc(-c2ccc(-c3ccc([O-])cc3Cl)nn2)c1 ZINC001245080280 1058108380 /nfs/dbraw/zinc/10/83/80/1058108380.db2.gz XZJXUHGBTLEUHS-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COC(=O)c1ccc2nc(-c3ccc([O-])cc3Cl)ccc2c1 ZINC001245081736 1058108528 /nfs/dbraw/zinc/10/85/28/1058108528.db2.gz LGZMSCSXJSPNHO-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CC(C)(C)OC(=O)Nc1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245082607 1058108564 /nfs/dbraw/zinc/10/85/64/1058108564.db2.gz YPJQYMWOOLKDJR-UHFFFAOYSA-N -1 3 320.776 4.455 20 0 DIADHM [O-]c1ccc(-c2ncnc3sc4c(c32)CCC4)c(Cl)c1 ZINC001245080312 1058108605 /nfs/dbraw/zinc/10/86/05/1058108605.db2.gz ZDDXPOKKMJPMDU-UHFFFAOYSA-N -1 3 302.786 4.206 20 0 DIADHM CC(C)(C)C(=O)Nc1cccnc1-c1ccc([O-])cc1Cl ZINC001245083054 1058109046 /nfs/dbraw/zinc/10/90/46/1058109046.db2.gz GSEIKQNQPCLTND-UHFFFAOYSA-N -1 3 304.777 4.092 20 0 DIADHM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001545245039 1058189492 /nfs/dbraw/zinc/18/94/92/1058189492.db2.gz IOSYVCPJAPCTKU-CABCVRRESA-N -1 3 321.486 4.310 20 0 DIADHM C[C@H](NC(=S)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001245517999 1058195202 /nfs/dbraw/zinc/19/52/02/1058195202.db2.gz GYZMHSZMTQAIRH-JTQLQIEISA-N -1 3 306.818 4.093 20 0 DIADHM CC(C)C1CCC(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC001545540781 1058211079 /nfs/dbraw/zinc/21/10/79/1058211079.db2.gz DZIHBCDGUKXZJR-UHFFFAOYSA-N -1 3 309.837 4.238 20 0 DIADHM CCCOc1cc(F)ccc1NC(=O)c1cccc(CC)c1[O-] ZINC001545654589 1058217158 /nfs/dbraw/zinc/21/71/58/1058217158.db2.gz UNUUBQAZVYCPBS-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM CC(C)COC(=O)Nc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245652514 1058311550 /nfs/dbraw/zinc/31/15/50/1058311550.db2.gz DLLKITUGTGQKEO-UHFFFAOYSA-N -1 3 303.333 4.403 20 0 DIADHM Cc1cc(C(=O)OC(C)(C)C)ccc1-c1c([O-])cccc1F ZINC001245655938 1058312205 /nfs/dbraw/zinc/31/22/05/1058312205.db2.gz GNRWZMNHPWNFFF-UHFFFAOYSA-N -1 3 302.345 4.462 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC001245656681 1058312621 /nfs/dbraw/zinc/31/26/21/1058312621.db2.gz MJPOICSDPAYTDM-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2c([O-])cccc2F)cc1)C(C)C ZINC001245656973 1058312699 /nfs/dbraw/zinc/31/26/99/1058312699.db2.gz ZEMYQPUNCKEYDL-INIZCTEOSA-N -1 3 302.345 4.111 20 0 DIADHM COc1cc(C)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C)c1 ZINC001245677946 1058339372 /nfs/dbraw/zinc/33/93/72/1058339372.db2.gz JIWOKIWTBBPFPR-UHFFFAOYSA-N -1 3 314.332 4.077 20 0 DIADHM CCOC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1C ZINC001245718779 1058393457 /nfs/dbraw/zinc/39/34/57/1058393457.db2.gz JTYIZWFTISTVPN-UHFFFAOYSA-N -1 3 311.406 4.134 20 0 DIADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@@H]1c1ccccc1 ZINC001556082063 1058541051 /nfs/dbraw/zinc/54/10/51/1058541051.db2.gz YBKIAQLBOBQMPQ-DYVFJYSZSA-N -1 3 301.773 4.178 20 0 DIADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCC1 ZINC001556096891 1058541514 /nfs/dbraw/zinc/54/15/14/1058541514.db2.gz VDYBXKTZWZEPSV-ZDUSSCGKSA-N -1 3 311.381 4.103 20 0 DIADHM CC(C)(C)c1ccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001556082193 1058542089 /nfs/dbraw/zinc/54/20/89/1058542089.db2.gz DRBAUNPYEWDBLM-WDZFZDKYSA-N -1 3 313.372 4.481 20 0 DIADHM Cc1cc(C)c(CC(=O)Nc2ccc(Cl)cc2[O-])c(C)c1 ZINC001556081820 1058542141 /nfs/dbraw/zinc/54/21/41/1058542141.db2.gz MUWUHAHHTQPJAM-UHFFFAOYSA-N -1 3 303.789 4.152 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001556254919 1058569136 /nfs/dbraw/zinc/56/91/36/1058569136.db2.gz HETCWBWLAXPVLG-ZWKOTPCHSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c([O-])c1 ZINC001556415826 1058588636 /nfs/dbraw/zinc/58/86/36/1058588636.db2.gz DRRGLSWYTMNBGQ-MRXNPFEDSA-N -1 3 309.409 4.491 20 0 DIADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC001556418299 1058591409 /nfs/dbraw/zinc/59/14/09/1058591409.db2.gz RXPFFIYBVSAEAF-AGIUHOORSA-N -1 3 317.454 4.409 20 0 DIADHM Cc1cccc(-c2cnc(NC(=O)c3c(C)cccc3[O-])s2)c1 ZINC001556516239 1058605589 /nfs/dbraw/zinc/60/55/89/1058605589.db2.gz GOGFDODMQRQFPM-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3cc(OC)ccc3c2)c1[O-] ZINC001556539862 1058608936 /nfs/dbraw/zinc/60/89/36/1058608936.db2.gz JECYVPARTFTXDR-UHFFFAOYSA-N -1 3 321.376 4.369 20 0 DIADHM CC(C)(C)Oc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001556784245 1058642812 /nfs/dbraw/zinc/64/28/12/1058642812.db2.gz OQDOITPADMTCBB-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC001557025066 1058684104 /nfs/dbraw/zinc/68/41/04/1058684104.db2.gz KBCZGPMGIKTTEX-UKRRQHHQSA-N -1 3 315.800 4.112 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001557081545 1058694428 /nfs/dbraw/zinc/69/44/28/1058694428.db2.gz GJWZQMKMDUUXBL-HZPDHXFCSA-N -1 3 303.446 4.241 20 0 DIADHM CC(C)Nc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001557529833 1058764048 /nfs/dbraw/zinc/76/40/48/1058764048.db2.gz AEEJFVVVVUKTAQ-UHFFFAOYSA-N -1 3 324.424 4.344 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2COC(C)(C)C)c([O-])c1 ZINC001558422650 1058870340 /nfs/dbraw/zinc/87/03/40/1058870340.db2.gz CJMVAXSSSAISRZ-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1cc(Br)co1 ZINC001530245321 1058969663 /nfs/dbraw/zinc/96/96/63/1058969663.db2.gz ZHZCOCPMKZXSGI-UHFFFAOYSA-N -1 3 312.188 4.016 20 0 DIADHM C[C@H](Sc1cc(Cl)nc(=O)[n-]1)c1ccc(Cl)cc1 ZINC001559086767 1058977367 /nfs/dbraw/zinc/97/73/67/1058977367.db2.gz NCEZHUAAJLFPPG-ZETCQYMHSA-N -1 3 301.198 4.342 20 0 DIADHM Cc1c([N-]c2nc3cc(C)ccc3o2)cnn1-c1ccccc1 ZINC001559144360 1059032209 /nfs/dbraw/zinc/03/22/09/1059032209.db2.gz IVMMZXHPDSAZQP-UHFFFAOYSA-N -1 3 304.353 4.374 20 0 DIADHM Cc1cc2nc([N-]C(=O)c3scnc3C(F)F)oc2c(C)c1 ZINC001531747653 1059403524 /nfs/dbraw/zinc/40/35/24/1059403524.db2.gz NNKUHNKPEIDDPA-UHFFFAOYSA-N -1 3 323.324 4.091 20 0 DIADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1F ZINC001559620526 1059450347 /nfs/dbraw/zinc/45/03/47/1059450347.db2.gz FUKHJCRIUWXHER-UHFFFAOYSA-N -1 3 323.371 4.015 20 0 DIADHM Cc1cc(Cl)ccc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248141903 1059737779 /nfs/dbraw/zinc/73/77/79/1059737779.db2.gz GKNSLBXYYZQLOE-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM C[C@@H](NC(=S)Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001249603775 1060310533 /nfs/dbraw/zinc/31/05/33/1060310533.db2.gz JSYJGDPINQLSEN-SECBINFHSA-N -1 3 324.808 4.232 20 0 DIADHM [O-]c1cccc(CNCc2ccsc2C(F)(F)F)c1Cl ZINC001560552624 1060362689 /nfs/dbraw/zinc/36/26/89/1060362689.db2.gz IOUVDSBUBWBBED-UHFFFAOYSA-N -1 3 321.751 4.416 20 0 DIADHM CCCCc1ccc(NC(=S)Nc2cncc([O-])c2)c(C)c1 ZINC001249806253 1060410305 /nfs/dbraw/zinc/41/03/05/1060410305.db2.gz UQUWEATVLVXZDX-UHFFFAOYSA-N -1 3 315.442 4.247 20 0 DIADHM FC(F)(F)c1cccc2nc([N-]c3cccc4ccoc43)nn21 ZINC001249918806 1060480214 /nfs/dbraw/zinc/48/02/14/1060480214.db2.gz PNBWPZFIMUWTHP-UHFFFAOYSA-N -1 3 318.258 4.238 20 0 DIADHM Cc1cccc(C)c1NC(=O)Cc1cc(C)c([O-])c(Cl)c1 ZINC001250007901 1060536189 /nfs/dbraw/zinc/53/61/89/1060536189.db2.gz NWLJKCIOIOHMFN-UHFFFAOYSA-N -1 3 303.789 4.152 20 0 DIADHM C/C(=C\c1ccccc1)CN(C)Cc1ccc([O-])c(F)c1F ZINC001560755739 1060623725 /nfs/dbraw/zinc/62/37/25/1060623725.db2.gz RKQGNRGMUTULKO-JLHYYAGUSA-N -1 3 303.352 4.206 20 0 DIADHM C[C@H]1C[C@H](c2ccccc2)N(Cc2c(F)ccc([O-])c2F)C1 ZINC001560821440 1060679753 /nfs/dbraw/zinc/67/97/53/1060679753.db2.gz UGQLZAVUQZWYNM-BLLLJJGKSA-N -1 3 303.352 4.254 20 0 DIADHM Cc1nc2ccc(F)cn2c1Nc1c(F)ccc([O-])c1Cl ZINC001250234260 1060715078 /nfs/dbraw/zinc/71/50/78/1060715078.db2.gz NHPFJDJWYVAXJS-UHFFFAOYSA-N -1 3 309.703 4.024 20 0 DIADHM CC[C@@H]1CN(Cc2ccc([O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001560912980 1060773922 /nfs/dbraw/zinc/77/39/22/1060773922.db2.gz OZNCHSMLWBDWFU-GFCCVEGCSA-N -1 3 321.779 4.362 20 0 DIADHM CCn1c2cc(OC)ccc2nc1-c1cc(Cl)ccc1[O-] ZINC001250458302 1060815685 /nfs/dbraw/zinc/81/56/85/1060815685.db2.gz UPSVPGYYQSWQOD-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001561221982 1060919545 /nfs/dbraw/zinc/91/95/45/1060919545.db2.gz QOFOMAGATXKBJF-GHMZBOCLSA-N -1 3 321.895 4.039 20 0 DIADHM Cc1cc2nc(-c3cccc(F)c3[O-])[nH]c2cc1C(F)(F)F ZINC001250684020 1061014288 /nfs/dbraw/zinc/01/42/88/1061014288.db2.gz WMGPCBNNHQQELV-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM CC(C)(C)n1c2cc(F)ccc2nc1-c1ccc([O-])cc1F ZINC001250846114 1061091601 /nfs/dbraw/zinc/09/16/01/1061091601.db2.gz OYGFKHOUEFDPFJ-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM CCOc1ccc2nc(-c3ccc([O-])cc3F)n(C3CC3)c2c1 ZINC001250846129 1061091798 /nfs/dbraw/zinc/09/17/98/1061091798.db2.gz PROUXSPBEVPTJT-UHFFFAOYSA-N -1 3 312.344 4.282 20 0 DIADHM Cc1cc2[nH]c(-c3c([O-])cccc3Br)nc2cc1F ZINC001250844108 1061092945 /nfs/dbraw/zinc/09/29/45/1061092945.db2.gz UEFNOYCDOXUAHS-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM [O-]c1cnccc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC001250860160 1061097012 /nfs/dbraw/zinc/09/70/12/1061097012.db2.gz QBIFNZSXBRULNV-UHFFFAOYSA-N -1 3 319.389 4.482 20 0 DIADHM CCn1c(-c2c([O-])cccc2Cl)nc2ccc(F)c(F)c21 ZINC001250863399 1061099778 /nfs/dbraw/zinc/09/97/78/1061099778.db2.gz BEUXYEDJJCAFCN-UHFFFAOYSA-N -1 3 308.715 4.360 20 0 DIADHM Cc1cc(F)ccc1[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001462340796 1061116843 /nfs/dbraw/zinc/11/68/43/1061116843.db2.gz QWHKYDHNJXEIFV-INIZCTEOSA-N -1 3 321.342 4.455 20 0 DIADHM Cc1ccc(C2(NCc3ccc([O-])c(F)c3F)CCC2)cc1 ZINC001462398222 1061149771 /nfs/dbraw/zinc/14/97/71/1061149771.db2.gz DBNMEXLZUGNWJH-UHFFFAOYSA-N -1 3 303.352 4.148 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCC2(F)F)c([O-])c1 ZINC001455217688 1061214988 /nfs/dbraw/zinc/21/49/88/1061214988.db2.gz XLMOBMDPTYRDAH-CYBMUJFWSA-N -1 3 311.372 4.071 20 0 DIADHM CN(Cc1ccc2cc[nH]c2c1)Cc1cccc([O-])c1Cl ZINC001462532021 1061241113 /nfs/dbraw/zinc/24/11/13/1061241113.db2.gz WFAYYUPLHNPTGC-UHFFFAOYSA-N -1 3 300.789 4.159 20 0 DIADHM Cc1ccc2[nH]c(-c3cc([O-])cc(Br)c3)nc2c1F ZINC001251244495 1061288371 /nfs/dbraw/zinc/28/83/71/1061288371.db2.gz ISMKYMKOZATILE-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM COc1ccc(-c2nc3cc(F)cc(C)c3[nH]2)c(Cl)c1[O-] ZINC001251335576 1061319917 /nfs/dbraw/zinc/31/99/17/1061319917.db2.gz KFTYEBOLKVPWAO-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM COc1ccc(-c2nc3c(cc(C)cc3C)[nH]2)c(Cl)c1[O-] ZINC001251335761 1061322115 /nfs/dbraw/zinc/32/21/15/1061322115.db2.gz PDGBIDKWJHEXJV-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM COc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)c(Cl)c1[O-] ZINC001251335761 1061322124 /nfs/dbraw/zinc/32/21/24/1061322124.db2.gz PDGBIDKWJHEXJV-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM CC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3[O-])nc2c1 ZINC001251349908 1061329727 /nfs/dbraw/zinc/32/97/27/1061329727.db2.gz XWYNOIGDFKECEO-UHFFFAOYSA-N -1 3 320.270 4.157 20 0 DIADHM Cc1c2nc(-c3ccc(C(F)(F)F)cc3[O-])[nH]c2ccc1F ZINC001251348612 1061330224 /nfs/dbraw/zinc/33/02/24/1061330224.db2.gz COWAIOVYNCTKTJ-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2Oc2ccccn2)c([O-])c1 ZINC001456615413 1061345752 /nfs/dbraw/zinc/34/57/52/1061345752.db2.gz WTLNROZNQXBFGG-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(F)cc2[nH]c(-c3ccc(Br)c([O-])c3)nc21 ZINC001251473511 1061371680 /nfs/dbraw/zinc/37/16/80/1061371680.db2.gz GBZSCPKQSATDJN-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001463026675 1061408088 /nfs/dbraw/zinc/40/80/88/1061408088.db2.gz SDXRJGLKBSVUAB-QWRGUYRKSA-N -1 3 321.895 4.039 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]CCCCC(C)(C)C)sc1Cl ZINC001463054442 1061411605 /nfs/dbraw/zinc/41/16/05/1061411605.db2.gz NVZSDFBUMMBBAQ-UHFFFAOYSA-N -1 3 323.911 4.205 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]1C1CCCC1 ZINC001457175577 1061414221 /nfs/dbraw/zinc/41/42/21/1061414221.db2.gz JQGSHKMXGANJBZ-AWEZNQCLSA-N -1 3 301.411 4.012 20 0 DIADHM O=c1[nH]c2ccccc2c(Cl)c1-c1nc2ccc(F)cc2[n-]1 ZINC001251610307 1061417553 /nfs/dbraw/zinc/41/75/53/1061417553.db2.gz UHVWEBLQEXTCRS-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM CCc1ccc2nc(NC(=O)c3ccc(C)cc3[O-])sc2c1 ZINC001457505039 1061465957 /nfs/dbraw/zinc/46/59/57/1061465957.db2.gz IYZUAVGRQHUGSQ-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC(C(C)C)CC2)c([O-])c1 ZINC001457643969 1061479601 /nfs/dbraw/zinc/47/96/01/1061479601.db2.gz LIQUMJHNUQIMJT-UHFFFAOYSA-N -1 3 319.445 4.079 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCCC(C)(C)CC2)c([O-])c1 ZINC001457688265 1061483375 /nfs/dbraw/zinc/48/33/75/1061483375.db2.gz CYSCVRNDMDRNFA-UHFFFAOYSA-N -1 3 319.445 4.223 20 0 DIADHM C[C@@H]1CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC001463575188 1061500128 /nfs/dbraw/zinc/50/01/28/1061500128.db2.gz RVRKRMHZFQZLFD-SUNKGSAMSA-N -1 3 303.427 4.161 20 0 DIADHM C[C@@H]1CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H]1C ZINC001463575183 1061500286 /nfs/dbraw/zinc/50/02/86/1061500286.db2.gz RVRKRMHZFQZLFD-GYSYKLTISA-N -1 3 303.427 4.161 20 0 DIADHM [O-]c1cc(-c2nnc(-c3ccc(F)cc3)o2)cc(C(F)(F)F)c1 ZINC001252259542 1061617619 /nfs/dbraw/zinc/61/76/19/1061617619.db2.gz CKQFGAUHRXANFJ-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM CC[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC001464651050 1061618893 /nfs/dbraw/zinc/61/88/93/1061618893.db2.gz QUQQZAKPARLCNK-HNNXBMFYSA-N -1 3 311.425 4.439 20 0 DIADHM Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2Cl)c([O-])c1 ZINC001464876667 1061643555 /nfs/dbraw/zinc/64/35/55/1061643555.db2.gz YWPQOGZHXXLIBX-UHFFFAOYSA-N -1 3 317.816 4.105 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001465323357 1061733009 /nfs/dbraw/zinc/73/30/09/1061733009.db2.gz SVODPBVUSQZPTB-PKOBYXMFSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1cccc([C@H](C)CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001465336308 1061736274 /nfs/dbraw/zinc/73/62/74/1061736274.db2.gz SBYRRHAMXNDGQF-OAHLLOKOSA-N -1 3 319.404 4.387 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1 ZINC001465598217 1061783794 /nfs/dbraw/zinc/78/37/94/1061783794.db2.gz MEZPCHPSLWJIHN-CHWSQXEVSA-N -1 3 315.438 4.036 20 0 DIADHM CCC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1 ZINC001465714373 1061799687 /nfs/dbraw/zinc/79/96/87/1061799687.db2.gz CXPPSICPWSBPCZ-UHFFFAOYSA-N -1 3 323.436 4.240 20 0 DIADHM COc1cccc(-c2nnc(-c3c([O-])ccc4ccccc43)o2)c1 ZINC001253264702 1061863594 /nfs/dbraw/zinc/86/35/94/1061863594.db2.gz BRDPEAACCRRZTK-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM COc1cccc(-c2nnc(-c3cc4ccccc4cc3[O-])o2)c1 ZINC001253265445 1061864441 /nfs/dbraw/zinc/86/44/41/1061864441.db2.gz PCEBSGNKFBTWOM-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2SC(C)C)c([O-])c1 ZINC001466051025 1061865264 /nfs/dbraw/zinc/86/52/64/1061865264.db2.gz IEKXEFLVXXWBFQ-UHFFFAOYSA-N -1 3 301.411 4.453 20 0 DIADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001466118620 1061879050 /nfs/dbraw/zinc/87/90/50/1061879050.db2.gz MTSDZNZGOQZXJG-IBGZPJMESA-N -1 3 315.388 4.375 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC001546102952 1061882982 /nfs/dbraw/zinc/88/29/82/1061882982.db2.gz UBAGHOSSMIROAR-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1[O-] ZINC001466221212 1061901602 /nfs/dbraw/zinc/90/16/02/1061901602.db2.gz MREIEIPVYAZFHD-UHFFFAOYSA-N -1 3 313.397 4.210 20 0 DIADHM C/C(=C/C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1C ZINC001466258254 1061906730 /nfs/dbraw/zinc/90/67/30/1061906730.db2.gz SHEGQEOYPCGKNQ-XFXZXTDPSA-N -1 3 301.773 4.396 20 0 DIADHM Cc1cccc(-c2nnc(-c3cc([O-])cc(C(F)(F)F)c3)o2)c1 ZINC001253711072 1061956055 /nfs/dbraw/zinc/95/60/55/1061956055.db2.gz OCASUVIROORSKL-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1cccc(-c2nnc(-c3ccc([O-])cc3C(F)(F)F)o2)c1 ZINC001253718633 1061958816 /nfs/dbraw/zinc/95/88/16/1061958816.db2.gz VAXBAHRQMCOSRT-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CCc1c(Cl)cc(NC[C@H](O)C(C)(C)C)c([O-])c1Cl ZINC001253736894 1061964576 /nfs/dbraw/zinc/96/45/76/1061964576.db2.gz WNLWBJVCZIPTSH-NSHDSACASA-N -1 3 306.233 4.080 20 0 DIADHM COc1ccc(C)cc1[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001459015016 1061974016 /nfs/dbraw/zinc/97/40/16/1061974016.db2.gz PKBFPIKALJOQII-NSHDSACASA-N -1 3 320.772 4.281 20 0 DIADHM Cc1c([O-])cc(-c2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC001253806345 1061986739 /nfs/dbraw/zinc/98/67/39/1061986739.db2.gz ATODSUPOVDKFER-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1(C)C ZINC001466743383 1061997185 /nfs/dbraw/zinc/99/71/85/1061997185.db2.gz ZWPJNISPEKLYCX-NSHDSACASA-N -1 3 303.427 4.115 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1(C)C ZINC001466743382 1061997724 /nfs/dbraw/zinc/99/77/24/1061997724.db2.gz ZWPJNISPEKLYCX-LLVKDONJSA-N -1 3 303.427 4.115 20 0 DIADHM Cc1cccc(CSCc2noc(-c3ccccc3[O-])n2)c1 ZINC001459074206 1061998750 /nfs/dbraw/zinc/99/87/50/1061998750.db2.gz CZCMBCGULIMMLO-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM CCc1cc(O)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001466856070 1062016664 /nfs/dbraw/zinc/01/66/64/1062016664.db2.gz SRZBFAHNZYXGTH-UHFFFAOYSA-N -1 3 313.378 4.127 20 0 DIADHM C[C@@H](c1ccccc1)N(C)Cc1cccc([O-])c1Br ZINC001474410298 1062071710 /nfs/dbraw/zinc/07/17/10/1062071710.db2.gz PKIKFKOUYNCJJH-LBPRGKRZSA-N -1 3 320.230 4.348 20 0 DIADHM CCc1cccc(C(=O)Nc2ccccc2N(C)C(C)C)c1[O-] ZINC001467382310 1062120515 /nfs/dbraw/zinc/12/05/15/1062120515.db2.gz GDGZEFHDXYHMTD-UHFFFAOYSA-N -1 3 312.413 4.052 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(Cc3cccc(Cl)c3)o2)c1 ZINC001254485804 1062129211 /nfs/dbraw/zinc/12/92/11/1062129211.db2.gz ZKYBESFMRRNPIV-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC001467474325 1062135629 /nfs/dbraw/zinc/13/56/29/1062135629.db2.gz WFTNAVWKDBCOHW-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM Cc1c(C(=O)Nc2nc(C)ccc2[O-])oc2c1c(C)ccc2C ZINC001467591725 1062148327 /nfs/dbraw/zinc/14/83/27/1062148327.db2.gz CTOCFGOIMFNCTC-UHFFFAOYSA-N -1 3 310.353 4.019 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254514579 1062157492 /nfs/dbraw/zinc/15/74/92/1062157492.db2.gz SZHJJZZGANOMLI-STQMWFEESA-N -1 3 312.756 4.367 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c([O-])c1 ZINC001467622504 1062158397 /nfs/dbraw/zinc/15/83/97/1062158397.db2.gz QXXHMDAQCGKGEY-CTYIDZIISA-N -1 3 315.800 4.030 20 0 DIADHM CCC1(CC)CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC001467684189 1062179153 /nfs/dbraw/zinc/17/91/53/1062179153.db2.gz OHXDAIHDRXVMSI-UHFFFAOYSA-N -1 3 317.429 4.074 20 0 DIADHM [O-]c1ccc(F)c(CN2Cc3ccccc3C3(CCC3)C2)c1F ZINC001474513779 1062193888 /nfs/dbraw/zinc/19/38/88/1062193888.db2.gz IQYJTFMYRNIXSW-UHFFFAOYSA-N -1 3 315.363 4.108 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254684685 1062233621 /nfs/dbraw/zinc/23/36/21/1062233621.db2.gz UXDOQEGRKXBTGY-LSDHHAIUSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c1 ZINC001254684681 1062233780 /nfs/dbraw/zinc/23/37/80/1062233780.db2.gz UXDOQEGRKXBTGY-CABCVRRESA-N -1 3 312.756 4.367 20 0 DIADHM CCOc1cccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)c1[O-] ZINC001254699748 1062236181 /nfs/dbraw/zinc/23/61/81/1062236181.db2.gz ZXMKQGRJDHLHMI-HUUCEWRRSA-N -1 3 322.364 4.112 20 0 DIADHM CCC1(NC(=O)c2cc3sccc3c([O-])c2)CCCCC1 ZINC001468235662 1062283985 /nfs/dbraw/zinc/28/39/85/1062283985.db2.gz STDBKQNVQLFHHX-UHFFFAOYSA-N -1 3 303.427 4.450 20 0 DIADHM CCOc1ccc(Cl)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC001468243801 1062286324 /nfs/dbraw/zinc/28/63/24/1062286324.db2.gz RUYNCWMOPWKPHI-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCC[C@H](CC1CCCC1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468310547 1062298738 /nfs/dbraw/zinc/29/87/38/1062298738.db2.gz KCRCAPRRBPZPLQ-CYBMUJFWSA-N -1 3 315.417 4.204 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)cc1 ZINC001255081028 1062307599 /nfs/dbraw/zinc/30/75/99/1062307599.db2.gz JAOMEJHPMVQJNC-UHFFFAOYSA-N -1 3 321.417 4.312 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(-c2cccs2)on1 ZINC001468455948 1062328228 /nfs/dbraw/zinc/32/82/28/1062328228.db2.gz SZZDGVXCXGVRMC-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001468497032 1062332599 /nfs/dbraw/zinc/33/25/99/1062332599.db2.gz JIIYYXAYUJCOJC-CYBMUJFWSA-N -1 3 319.376 4.112 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC001468498969 1062334187 /nfs/dbraw/zinc/33/41/87/1062334187.db2.gz WMBJVJQUFVCIJN-VXGBXAGGSA-N -1 3 317.351 4.293 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1[O-] ZINC001468602485 1062362443 /nfs/dbraw/zinc/36/24/43/1062362443.db2.gz ZYIZUFMJGDYIIK-GXTWGEPZSA-N -1 3 317.429 4.386 20 0 DIADHM Cc1cc(Cl)ccc1-c1nnc(Cc2ccc([O-])c(F)c2)o1 ZINC001255268019 1062372139 /nfs/dbraw/zinc/37/21/39/1062372139.db2.gz HYNVQTYWTJLNEG-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]OC/C=C/Cl)(C2)C3 ZINC001468686334 1062379844 /nfs/dbraw/zinc/37/98/44/1062379844.db2.gz MNLWISMFRKPMIQ-SNAWJCMRSA-N -1 3 311.853 4.173 20 0 DIADHM CC(C)c1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)c([O-])c1 ZINC001468868300 1062423086 /nfs/dbraw/zinc/42/30/86/1062423086.db2.gz FESZGQVCJILETO-UHFFFAOYSA-N -1 3 315.800 4.325 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c([O-])c1 ZINC001469008135 1062458595 /nfs/dbraw/zinc/45/85/95/1062458595.db2.gz MIFAPIDORITUKP-JKSUJKDBSA-N -1 3 301.430 4.072 20 0 DIADHM CC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001474993942 1062488116 /nfs/dbraw/zinc/48/81/16/1062488116.db2.gz QVCHLHWHXWESNI-UHFFFAOYSA-N -1 3 324.273 4.098 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H](C)[C@H]1C ZINC001469177776 1062493777 /nfs/dbraw/zinc/49/37/77/1062493777.db2.gz OCRZXRNHNXTQNP-PMPSAXMXSA-N -1 3 323.436 4.100 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2CC2CCCC2)c1 ZINC001469660470 1062601092 /nfs/dbraw/zinc/60/10/92/1062601092.db2.gz GPFSPHWWENMAIK-INIZCTEOSA-N -1 3 301.430 4.140 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1sc(Cl)nc1C ZINC001278909268 1062698541 /nfs/dbraw/zinc/69/85/41/1062698541.db2.gz OJUGXOCNWAYYSR-UHFFFAOYSA-N -1 3 316.810 4.218 20 0 DIADHM Cc1ccc(-c2nnc(-c3ccc(OCC(C)C)cc3)o2)c([O-])c1 ZINC001256164472 1062739296 /nfs/dbraw/zinc/73/92/96/1062739296.db2.gz FSLYTPKKEPRXCI-UHFFFAOYSA-N -1 3 324.380 4.452 20 0 DIADHM CCCOc1ccc(-c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001256302059 1062766759 /nfs/dbraw/zinc/76/67/59/1062766759.db2.gz KZKIAPWXATWBTB-UHFFFAOYSA-N -1 3 310.353 4.206 20 0 DIADHM CCCCCCc1nnc(-c2c([O-])cc3ccccc3c2O)o1 ZINC001256330398 1062777137 /nfs/dbraw/zinc/77/71/37/1062777137.db2.gz MTBDCHMOHPFKOZ-UHFFFAOYSA-N -1 3 312.369 4.424 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)CC12CCC2 ZINC001546182062 1062840539 /nfs/dbraw/zinc/84/05/39/1062840539.db2.gz QIRCUERWFOUZMG-GFCCVEGCSA-N -1 3 315.438 4.259 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1C ZINC001470742768 1062848685 /nfs/dbraw/zinc/84/86/85/1062848685.db2.gz XCLHPWUIWNPCGJ-UHFFFAOYSA-N -1 3 319.788 4.395 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1F ZINC001470791215 1062861007 /nfs/dbraw/zinc/86/10/07/1062861007.db2.gz MSLIDJLHCNWXMS-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM Cc1ccc(-c2nnc(-c3ccc([O-])c4ncccc34)o2)cc1C ZINC001256547187 1062869145 /nfs/dbraw/zinc/86/91/45/1062869145.db2.gz INMDVUPSWBZGSW-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CC1(C)CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC001470879599 1062878494 /nfs/dbraw/zinc/87/84/94/1062878494.db2.gz CJVIQAQAGNQCHY-UHFFFAOYSA-N -1 3 321.420 4.209 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC001471735224 1063018893 /nfs/dbraw/zinc/01/88/93/1063018893.db2.gz BBDYFKJCTHFNRV-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM C[C@H]1CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001471892621 1063030312 /nfs/dbraw/zinc/03/03/12/1063030312.db2.gz VDVOZNCJGNTONI-KBPBESRZSA-N -1 3 311.381 4.103 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)c([O-])c1 ZINC001471970228 1063038146 /nfs/dbraw/zinc/03/81/46/1063038146.db2.gz BKTPKWSDFABMKH-LLVKDONJSA-N -1 3 319.351 4.285 20 0 DIADHM CC(C)=CCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001472526591 1063095980 /nfs/dbraw/zinc/09/59/80/1063095980.db2.gz OLXZDXUTFAGMKX-LBPRGKRZSA-N -1 3 316.405 4.084 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001257255482 1063163502 /nfs/dbraw/zinc/16/35/02/1063163502.db2.gz GCJGVTWSATXCJM-HOTGVXAUSA-N -1 3 324.355 4.085 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3cc([O-])c(C)c(F)c3)o2)cc1 ZINC001257336036 1063216579 /nfs/dbraw/zinc/21/65/79/1063216579.db2.gz XCLUFTHTOSLLBQ-GJZGRUSLSA-N -1 3 324.355 4.469 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cc([O-])c(C)c(F)c3)o2)cc1 ZINC001257336037 1063217126 /nfs/dbraw/zinc/21/71/26/1063217126.db2.gz XCLUFTHTOSLLBQ-HUUCEWRRSA-N -1 3 324.355 4.469 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCC2CC=CC2)s1 ZINC001472922472 1063318175 /nfs/dbraw/zinc/31/81/75/1063318175.db2.gz XZBLKZOCVQJZHJ-UHFFFAOYSA-N -1 3 307.419 4.479 20 0 DIADHM COc1ccc2cc([O-])c(-c3nnc(CC(C)(C)C)o3)cc2c1 ZINC001257847634 1063405937 /nfs/dbraw/zinc/40/59/37/1063405937.db2.gz ASRMYBATBHUDBF-UHFFFAOYSA-N -1 3 312.369 4.193 20 0 DIADHM Cc1ccc2oc(CNCc3cccc([O-])c3Cl)cc2c1 ZINC001461642416 1063630362 /nfs/dbraw/zinc/63/03/62/1063630362.db2.gz OLLNEUGMTBCJFZ-UHFFFAOYSA-N -1 3 301.773 4.390 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nnc(CC2CCCC2)o1 ZINC001258618527 1063714163 /nfs/dbraw/zinc/71/41/63/1063714163.db2.gz WKELIDCGUKISGV-UHFFFAOYSA-N -1 3 310.353 4.034 20 0 DIADHM C[C@H](NCc1cccc([O-])c1Cl)c1cc(F)ccc1N(C)C ZINC001461835559 1063743540 /nfs/dbraw/zinc/74/35/40/1063743540.db2.gz NFRMMJPLRJZYJO-NSHDSACASA-N -1 3 322.811 4.102 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])ccc3Cl)o2)cc1F ZINC001258719042 1063775229 /nfs/dbraw/zinc/77/52/29/1063775229.db2.gz HOKWZMLGYFDCSY-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc([O-])c(F)c1F ZINC001461893971 1063782230 /nfs/dbraw/zinc/78/22/30/1063782230.db2.gz AUYLMYJZMKTSFL-BXUZGUMPSA-N -1 3 321.342 4.188 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(C)C)cc1C ZINC001259167812 1063884331 /nfs/dbraw/zinc/88/43/31/1063884331.db2.gz IRKGNVFGPLHGIS-UHFFFAOYSA-N -1 3 317.454 4.303 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)cc1C ZINC001259167178 1063884679 /nfs/dbraw/zinc/88/46/79/1063884679.db2.gz BXTADUXIFYLAGG-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C2CCCCC2)o1 ZINC001259814924 1063895138 /nfs/dbraw/zinc/89/51/38/1063895138.db2.gz BMBHPZJVYRWPTF-UHFFFAOYSA-N -1 3 319.426 4.329 20 0 DIADHM Cc1ccccc1CN(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001462043714 1063898721 /nfs/dbraw/zinc/89/87/21/1063898721.db2.gz HCZIRFOZSNUTGY-UHFFFAOYSA-N -1 3 303.352 4.143 20 0 DIADHM C[C@@H]1CCCc2ccccc2[C@H]1NCc1ccc([O-])c(F)c1F ZINC001462054725 1063905676 /nfs/dbraw/zinc/90/56/76/1063905676.db2.gz OQIUBFKXCALPRZ-BLVKFPJESA-N -1 3 317.379 4.474 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001261199028 1063910515 /nfs/dbraw/zinc/91/05/15/1063910515.db2.gz ADMVVOPJFLHHBC-ZBFHGGJFSA-N -1 3 309.409 4.198 20 0 DIADHM CC(C)(C)c1nc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)co1 ZINC001289943224 1064672920 /nfs/dbraw/zinc/67/29/20/1064672920.db2.gz SPWFWKRMNBLVNC-UHFFFAOYSA-N -1 3 317.389 4.044 20 0 DIADHM C[C@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001290034896 1064676521 /nfs/dbraw/zinc/67/65/21/1064676521.db2.gz QCGRONXXOAFNNL-INIZCTEOSA-N -1 3 323.436 4.192 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1[O-] ZINC001290595248 1064701757 /nfs/dbraw/zinc/70/17/57/1064701757.db2.gz UYSIIXVPVNHAGW-SFHVURJKSA-N -1 3 309.409 4.104 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c([O-])c1 ZINC001292325913 1064767082 /nfs/dbraw/zinc/76/70/82/1064767082.db2.gz NIADXBKQCOBGNZ-MRXNPFEDSA-N -1 3 301.430 4.276 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c1 ZINC001293970142 1064841225 /nfs/dbraw/zinc/84/12/25/1064841225.db2.gz JHHCGHRTZKXLNL-CZUORRHYSA-N -1 3 313.397 4.161 20 0 DIADHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc2sccc2c([O-])c1 ZINC001294139395 1064848522 /nfs/dbraw/zinc/84/85/22/1064848522.db2.gz NQJXXGYSZWGMBY-HUUCEWRRSA-N -1 3 315.438 4.306 20 0 DIADHM Cc1ccccc1-c1cnc(NC(=O)c2c(C)cccc2[O-])s1 ZINC001294236850 1064857077 /nfs/dbraw/zinc/85/70/77/1064857077.db2.gz WMAQBUVSHWCLLF-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCC(C)(C)c1ccc(CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001295404571 1064911281 /nfs/dbraw/zinc/91/12/81/1064911281.db2.gz YFBAGSRRRMLRCB-UHFFFAOYSA-N -1 3 311.425 4.318 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C(C)C)c1 ZINC001295676170 1064924180 /nfs/dbraw/zinc/92/41/80/1064924180.db2.gz FUSUXZXOBPIZCJ-OAHLLOKOSA-N -1 3 307.459 4.155 20 0 DIADHM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971605 1064933581 /nfs/dbraw/zinc/93/35/81/1064933581.db2.gz FTNUFKGRLHEPCA-LUAWRHEFSA-N -1 3 317.772 4.096 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC(c3ccccc3C)CC2)c1 ZINC001296200760 1064940118 /nfs/dbraw/zinc/94/01/18/1064940118.db2.gz UOMFLAINMLGROO-UHFFFAOYSA-N -1 3 323.436 4.283 20 0 DIADHM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ncccc3[O-])ccc21 ZINC001296266792 1064941317 /nfs/dbraw/zinc/94/13/17/1064941317.db2.gz DWDUNZGCXXJSIL-UHFFFAOYSA-N -1 3 324.424 4.389 20 0 DIADHM CS[C@H](CNC(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC001296303240 1064943406 /nfs/dbraw/zinc/94/34/06/1064943406.db2.gz IJNLIUDGKAEWFW-CQSZACIVSA-N -1 3 323.483 4.114 20 0 DIADHM CC1(C)C(CNC(=O)c2cc3sccc3c([O-])c2)C1(C)C ZINC001297008180 1064966324 /nfs/dbraw/zinc/96/63/24/1064966324.db2.gz UFSICTAJSKKLFK-UHFFFAOYSA-N -1 3 303.427 4.019 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccccc2-c2ccccc2)n1 ZINC001297159388 1064971754 /nfs/dbraw/zinc/97/17/54/1064971754.db2.gz VLKCSIKHBHEKIK-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2coc3ccccc23)c([O-])c1 ZINC001298366352 1065003717 /nfs/dbraw/zinc/00/37/17/1065003717.db2.gz IUNZUCCPFMZHKG-UHFFFAOYSA-N -1 3 309.365 4.192 20 0 DIADHM CCc1cccc(C(=O)N2Cc3cc(C)ccc3CC2(C)C)c1[O-] ZINC001298426674 1065006469 /nfs/dbraw/zinc/00/64/69/1065006469.db2.gz QIBUROPZSDTCEZ-UHFFFAOYSA-N -1 3 323.436 4.240 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)C1=CCCCCC1 ZINC001298514017 1065007306 /nfs/dbraw/zinc/00/73/06/1065007306.db2.gz RKNMDLIRWOVRHW-UHFFFAOYSA-N -1 3 324.218 4.292 20 0 DIADHM Cc1cccc(C(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001298513223 1065007631 /nfs/dbraw/zinc/00/76/31/1065007631.db2.gz JAVMFFVLCAJPMY-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1c2cccc(F)c2oc1C(=O)Nc1c([O-])cccc1Cl ZINC001298550111 1065009142 /nfs/dbraw/zinc/00/91/42/1065009142.db2.gz FJPUDYPPPIXQRJ-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1[nH]c2ccccc2c1Cl ZINC001298551344 1065009264 /nfs/dbraw/zinc/00/92/64/1065009264.db2.gz ZMQPXNVAEQZDNH-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM CC(C)(C)c1csc(C(=O)Nc2c([O-])cccc2Cl)n1 ZINC001298550309 1065009572 /nfs/dbraw/zinc/00/95/72/1065009572.db2.gz IKWLDVVDTZERFA-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccn1 ZINC001299024767 1065027424 /nfs/dbraw/zinc/02/74/24/1065027424.db2.gz HITBQJWWGJVUAM-ZDUSSCGKSA-N -1 3 324.758 4.094 20 0 DIADHM CC1(C)CCC[C@@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001301279834 1065059647 /nfs/dbraw/zinc/05/96/47/1065059647.db2.gz XRGOXGRMSKBTCH-OAHLLOKOSA-N -1 3 321.436 4.187 20 0 DIADHM CC(C)Cc1ccccc1CNC(=O)c1cc([O-])ccc1Cl ZINC001301303165 1065060118 /nfs/dbraw/zinc/06/01/18/1065060118.db2.gz ITZOTAYTPGRAHK-UHFFFAOYSA-N -1 3 317.816 4.174 20 0 DIADHM CCc1ccc(C(=O)NCc2ccc(C(C)(C)C)s2)c([O-])c1 ZINC001303368158 1065115104 /nfs/dbraw/zinc/11/51/04/1065115104.db2.gz MPWHGYGMDALHLK-UHFFFAOYSA-N -1 3 317.454 4.244 20 0 DIADHM O=C(Nc1ccc(C(F)F)cc1)c1cc2c(cc1[O-])CCCC2 ZINC001304218324 1065133234 /nfs/dbraw/zinc/13/32/34/1065133234.db2.gz LXPMXVVGAQGQBB-UHFFFAOYSA-N -1 3 317.335 4.461 20 0 DIADHM CC[C@@H]1c2ccccc2CN1C(=O)c1cc(SC)ccc1[O-] ZINC001304738205 1065142038 /nfs/dbraw/zinc/14/20/38/1065142038.db2.gz MSXVYYBNXRNPOJ-MRXNPFEDSA-N -1 3 313.422 4.221 20 0 DIADHM CCCCCCN(Cc1ccco1)C(=O)c1ccccc1[O-] ZINC001304793351 1065144385 /nfs/dbraw/zinc/14/43/85/1065144385.db2.gz PNNDQFDQKVZJQF-UHFFFAOYSA-N -1 3 301.386 4.208 20 0 DIADHM Cc1cccc(C2=CCN(C(=O)c3c(C)cccc3[O-])CC2)c1C ZINC001304951146 1065147118 /nfs/dbraw/zinc/14/71/18/1065147118.db2.gz OMVRVZKDEHDSPW-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)c2c1 ZINC001306202501 1065173882 /nfs/dbraw/zinc/17/38/82/1065173882.db2.gz VQCOLNCBRHXIPO-UHFFFAOYSA-N -1 3 320.392 4.212 20 0 DIADHM CCCCOc1ccc(C(=O)NCCC2CCCCC2)c([O-])c1 ZINC001306350305 1065178619 /nfs/dbraw/zinc/17/86/19/1065178619.db2.gz ORYCKNAJCYMRGO-UHFFFAOYSA-N -1 3 319.445 4.271 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3)ns2)c1 ZINC001306648618 1065186836 /nfs/dbraw/zinc/18/68/36/1065186836.db2.gz UVEFCFQNUYBXIX-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001306825436 1065194019 /nfs/dbraw/zinc/19/40/19/1065194019.db2.gz AVMTWFNAMPRBPJ-OAHLLOKOSA-N -1 3 319.445 4.079 20 0 DIADHM CN(Cc1ccc([O-])c(F)c1)Cc1c(Cl)cccc1Cl ZINC001308571469 1066081421 /nfs/dbraw/zinc/08/14/21/1066081421.db2.gz SOSVPIUZZRLKQJ-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CCOc1cc(CNc2ccc(Cl)cn2)cc(Cl)c1[O-] ZINC001308692761 1066184045 /nfs/dbraw/zinc/18/40/45/1066184045.db2.gz NLWRLYPPFLSPPJ-UHFFFAOYSA-N -1 3 313.184 4.105 20 0 DIADHM CC(C)(CCCNCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417561819 334982081 /nfs/dbraw/zinc/98/20/81/334982081.db2.gz IHMCUTFPQAMHHD-UHFFFAOYSA-N -1 3 310.246 4.036 20 0 DIADHM CC(C)(C)C[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417566147 334990846 /nfs/dbraw/zinc/99/08/46/334990846.db2.gz HXOYMKLKDZLSQM-JTQLQIEISA-N -1 3 322.207 4.112 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000006317146 181329432 /nfs/dbraw/zinc/32/94/32/181329432.db2.gz RBNLTVUFTOTYCO-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C ZINC000007055729 181435634 /nfs/dbraw/zinc/43/56/34/181435634.db2.gz RQEXCHRVVRAYCL-UHFFFAOYSA-N -1 3 303.427 4.228 20 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GKBIXZOSZLQMRL-SNVBAGLBSA-N -1 3 324.207 4.498 20 0 DIADHM CCC[C@@H](CCCCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000417641272 335025852 /nfs/dbraw/zinc/02/58/52/335025852.db2.gz PHTLTNKUKIDMGB-LBPRGKRZSA-N -1 3 315.816 4.240 20 0 DIADHM CCC[C@@H](CCCCNCc1c(F)cccc1Cl)C(=O)[O-] ZINC000417643083 335026834 /nfs/dbraw/zinc/02/68/34/335026834.db2.gz YRJXHESZEFVXPC-LBPRGKRZSA-N -1 3 315.816 4.240 20 0 DIADHM CC(C)c1cnc(CNCCC2(CC(=O)[O-])CCCCC2)s1 ZINC000417653996 335030135 /nfs/dbraw/zinc/03/01/35/335030135.db2.gz TWUJMCQPMLHCEA-UHFFFAOYSA-N -1 3 324.490 4.171 20 0 DIADHM Cc1nc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])s1 ZINC000135885116 335047839 /nfs/dbraw/zinc/04/78/39/335047839.db2.gz XULZLRKEWCTUFL-UHFFFAOYSA-N -1 3 304.415 4.015 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1scnc1C1CCCC1 ZINC000184012640 335055739 /nfs/dbraw/zinc/05/57/39/335055739.db2.gz JTBUOLMDHHXYBP-UHFFFAOYSA-N -1 3 322.817 4.412 20 0 DIADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cnn1C1CCCCC1 ZINC000272607124 130045013 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320.462 4.245 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1SCCc2ccccc21 ZINC000175614230 332899007 /nfs/dbraw/zinc/89/90/07/332899007.db2.gz CHKVULGZWXTKGD-HNNXBMFYSA-N -1 3 319.813 4.015 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(OC2CCCC2)c1 ZINC000530657398 331616028 /nfs/dbraw/zinc/61/60/28/331616028.db2.gz DZNMDKRUVYMMJI-UHFFFAOYSA-N -1 3 315.344 4.105 20 0 DIADHM O=C(NCc1ccc2ccccc2c1)c1cc([O-])ccc1Cl ZINC000556405831 331700964 /nfs/dbraw/zinc/70/09/64/331700964.db2.gz GKPUXLGELBVBFT-UHFFFAOYSA-N -1 3 311.768 4.129 20 0 DIADHM [O-]c1cccnc1CNCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000556413514 331702122 /nfs/dbraw/zinc/70/21/22/331702122.db2.gz MQFBSOKUVBTNSG-UHFFFAOYSA-N -1 3 324.811 4.397 20 0 DIADHM CO[C@H]1CCC[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1 ZINC000556423098 331703087 /nfs/dbraw/zinc/70/30/87/331703087.db2.gz POCBMXBFHLOAAZ-STQMWFEESA-N -1 3 324.380 4.268 20 0 DIADHM C[C@H](CCC[C@H](C)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000087678264 331764984 /nfs/dbraw/zinc/76/49/84/331764984.db2.gz 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OPWHNTFOAJMELF-GFCCVEGCSA-N -1 3 321.380 4.132 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N3CC[C@@H](C)c4ccccc43)[n-]n2)o1 ZINC000343404670 335162787 /nfs/dbraw/zinc/16/27/87/335162787.db2.gz OPWHNTFOAJMELF-GFCCVEGCSA-N -1 3 321.380 4.132 20 0 DIADHM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)ccc1[O-] ZINC000413985738 333886337 /nfs/dbraw/zinc/88/63/37/333886337.db2.gz MFWLIDJBKQSHAM-SFHVURJKSA-N -1 3 321.420 4.111 20 0 DIADHM CCOc1cc(-c2noc(-c3csc(Cl)c3)n2)ccc1[O-] ZINC000436874408 334013687 /nfs/dbraw/zinc/01/36/87/334013687.db2.gz ULCCCPCVQSPHOG-UHFFFAOYSA-N -1 3 322.773 4.223 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000436894791 334015884 /nfs/dbraw/zinc/01/58/84/334015884.db2.gz SFNMAMMWVRUTKG-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000272500383 334035609 /nfs/dbraw/zinc/03/56/09/334035609.db2.gz NSWJLKQQTLVTCY-GHMZBOCLSA-N -1 3 301.308 4.008 20 0 DIADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000414681466 334067870 /nfs/dbraw/zinc/06/78/70/334067870.db2.gz MDTFLXJFNRHCRU-CYBMUJFWSA-N -1 3 303.427 4.100 20 0 DIADHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000414681499 334067981 /nfs/dbraw/zinc/06/79/81/334067981.db2.gz MIRZTBHPSZMDHE-SECBINFHSA-N -1 3 323.742 4.044 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000297507706 334241957 /nfs/dbraw/zinc/24/19/57/334241957.db2.gz VOHQTWVUKGBNCC-ZDUSSCGKSA-N -1 3 313.401 4.156 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(-n2cccc2)c1 ZINC000111210341 334306323 /nfs/dbraw/zinc/30/63/23/334306323.db2.gz JSNJHMDLTOSMFO-UHFFFAOYSA-N -1 3 312.756 4.089 20 0 DIADHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000534704080 334328543 /nfs/dbraw/zinc/32/85/43/334328543.db2.gz DZASSBHEWUAXOV-OAHLLOKOSA-N -1 3 311.809 4.112 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H](C)COc2ccccc2)c1[O-] ZINC000534710617 334331866 /nfs/dbraw/zinc/33/18/66/334331866.db2.gz YOHBDEUWIUJUQX-GFCCVEGCSA-N -1 3 319.788 4.008 20 0 DIADHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cccs1 ZINC000049419464 334336287 /nfs/dbraw/zinc/33/62/87/334336287.db2.gz TVVXRHPHBSPZGX-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c1[O-] ZINC000532014011 334374754 /nfs/dbraw/zinc/37/47/54/334374754.db2.gz GIZDQRVZDMPSFO-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1c[n-]nc1-c1ccccc1 ZINC000343966332 335208523 /nfs/dbraw/zinc/20/85/23/335208523.db2.gz JDYNYVINJVNQAU-UHFFFAOYSA-N -1 3 321.355 4.346 20 0 DIADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1 ZINC000444599572 338476237 /nfs/dbraw/zinc/47/62/37/338476237.db2.gz AXWHFGWZFPFUNC-HNNXBMFYSA-N -1 3 323.314 4.124 20 0 DIADHM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345133846 335304312 /nfs/dbraw/zinc/30/43/12/335304312.db2.gz MSTUFSICWFKLOO-HUUCEWRRSA-N -1 3 319.445 4.074 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cncc3ccccc32)c2c([O-])cccc21 ZINC000345169077 335308657 /nfs/dbraw/zinc/30/86/57/335308657.db2.gz VSXKUAKGPKEUEH-CYBMUJFWSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345946853 335363132 /nfs/dbraw/zinc/36/31/32/335363132.db2.gz UQGRSEPQEGAAKJ-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)cc2cccnc21 ZINC000348110479 335554487 /nfs/dbraw/zinc/55/44/87/335554487.db2.gz MSNKVYYANMXZTO-UHFFFAOYSA-N -1 3 320.245 4.044 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000583505047 335628663 /nfs/dbraw/zinc/62/86/63/335628663.db2.gz PRFLGNSZOACHKV-OCCSQVGLSA-N -1 3 323.400 4.206 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cc3ccccc3o2)c1[O-] ZINC000536218783 335831592 /nfs/dbraw/zinc/83/15/92/335831592.db2.gz DIJZFYYADGRLQZ-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM O=C(C/C=C/c1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000536221514 335831731 /nfs/dbraw/zinc/83/17/31/335831731.db2.gz WCJVDJVYISQIMN-DUXPYHPUSA-N -1 3 305.736 4.227 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(Cc2ccc(Cl)cc2)CC1 ZINC000536624988 335845168 /nfs/dbraw/zinc/84/51/68/335845168.db2.gz CGNRIUVOVGRDIR-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM O=C([N-]c1cccc(Cl)c1F)c1csc(C(F)(F)F)n1 ZINC000351748224 336064471 /nfs/dbraw/zinc/06/44/71/336064471.db2.gz ZTXGSWRQOMUUPE-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000331834608 336150322 /nfs/dbraw/zinc/15/03/22/336150322.db2.gz BVEHKIVRXZJHNL-KBXCAEBGSA-N -1 3 324.424 4.134 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1scnc1C1CCCC1 ZINC000332051494 336156663 /nfs/dbraw/zinc/15/66/63/336156663.db2.gz XLTPFORKPAFLRA-UHFFFAOYSA-N -1 3 322.817 4.412 20 0 DIADHM [O-]c1cc(F)cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC000351983444 336185654 /nfs/dbraw/zinc/18/56/54/336185654.db2.gz RXVLTBUCXWBJPL-UHFFFAOYSA-N -1 3 322.383 4.302 20 0 DIADHM O=c1cc(C=Cc2nc(-c3ccccc3)cs2)nc(C2CC2)[n-]1 ZINC000352028098 336190257 /nfs/dbraw/zinc/19/02/57/336190257.db2.gz SQONVOHYOYBNOO-CMDGGOBGSA-N -1 3 321.405 4.354 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000352127333 336195866 /nfs/dbraw/zinc/19/58/66/336195866.db2.gz MEEJJGQWRKCWTP-MRXNPFEDSA-N -1 3 319.763 4.162 20 0 DIADHM CC(C)c1ccc(NC(=O)c2cccc3nn[n-]c32)c(C(C)C)c1 ZINC000526115833 336195985 /nfs/dbraw/zinc/19/59/85/336195985.db2.gz IOSHBNBBMDEYMA-UHFFFAOYSA-N -1 3 322.412 4.457 20 0 DIADHM CC(C)c1ccc(NC(=O)c2cccc3[n-]nnc32)c(C(C)C)c1 ZINC000526115833 336195986 /nfs/dbraw/zinc/19/59/86/336195986.db2.gz IOSHBNBBMDEYMA-UHFFFAOYSA-N -1 3 322.412 4.457 20 0 DIADHM CC(C)c1ccc(NC(=O)c2cccc3n[n-]nc32)c(C(C)C)c1 ZINC000526115833 336195987 /nfs/dbraw/zinc/19/59/87/336195987.db2.gz IOSHBNBBMDEYMA-UHFFFAOYSA-N -1 3 322.412 4.457 20 0 DIADHM [O-]c1c(-c2nc([C@H]3CCCCS3)no2)ccc2c1CCCC2 ZINC000333051250 336197425 /nfs/dbraw/zinc/19/74/25/336197425.db2.gz LEDLHIYHVCFQKW-CQSZACIVSA-N -1 3 316.426 4.279 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000352637043 336228138 /nfs/dbraw/zinc/22/81/38/336228138.db2.gz LSJQVPJJUMBQFS-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000352775884 336235811 /nfs/dbraw/zinc/23/58/11/336235811.db2.gz OFIXUDWDSCQRPO-AWEZNQCLSA-N -1 3 307.802 4.084 20 0 DIADHM COCc1cccc(NCc2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000352841408 336275062 /nfs/dbraw/zinc/27/50/62/336275062.db2.gz QYZIKDPRGMEXBA-UHFFFAOYSA-N -1 3 311.303 4.170 20 0 DIADHM CC(C)c1noc([N-][C@@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000302023330 336343831 /nfs/dbraw/zinc/34/38/31/336343831.db2.gz OXZPKEUFRYZCJK-GFCCVEGCSA-N -1 3 307.781 4.172 20 0 DIADHM CC(C)c1noc([N-][C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302035734 336344544 /nfs/dbraw/zinc/34/45/44/336344544.db2.gz UNXCQGDVPMNGJC-GFCCVEGCSA-N -1 3 307.781 4.172 20 0 DIADHM Cc1cccc([C@@H]([N-]c2noc(C(C)(C)C)n2)c2ccccn2)c1 ZINC000302154495 336351213 /nfs/dbraw/zinc/35/12/13/336351213.db2.gz LYMYQZZURVYQNV-MRXNPFEDSA-N -1 3 322.412 4.272 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CCC(C)C)nc2)n1 ZINC000302722585 336366555 /nfs/dbraw/zinc/36/65/55/336366555.db2.gz IGPLIOAONOZPKK-CYBMUJFWSA-N -1 3 314.433 4.043 20 0 DIADHM C[C@@H]1CCN(C(=O)C[C@H]2C[C@@H]2c2ccccc2)c2c([O-])cccc21 ZINC000354769383 336481658 /nfs/dbraw/zinc/48/16/58/336481658.db2.gz LKWMSCYKGDGWQB-QGPMSJSTSA-N -1 3 321.420 4.426 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000357262663 336578545 /nfs/dbraw/zinc/57/85/45/336578545.db2.gz SNTNYYMLKHPYKV-MRXNPFEDSA-N -1 3 301.773 4.023 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@H]1CCC(C)(C)C1 ZINC000358070475 336609875 /nfs/dbraw/zinc/60/98/75/336609875.db2.gz HFDSJTUEQAMSMR-JTQLQIEISA-N -1 3 315.335 4.062 20 0 DIADHM Cc1ccc([C@@H](NCc2cc([O-])cc(F)c2)c2ccccn2)cc1 ZINC000369545091 336866774 /nfs/dbraw/zinc/86/67/74/336866774.db2.gz CQFHSCJIZZNILR-HXUWFJFHSA-N -1 3 322.383 4.114 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000119018382 336878002 /nfs/dbraw/zinc/87/80/02/336878002.db2.gz QIKQQPIYASXVCT-OAHLLOKOSA-N -1 3 321.829 4.013 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(F)cc2F)CC)n1 ZINC000193618189 337078793 /nfs/dbraw/zinc/07/87/93/337078793.db2.gz DIFOVGFJPPLQNJ-UXBLZVDNSA-N -1 3 322.330 4.090 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])c1C ZINC000582535880 337106258 /nfs/dbraw/zinc/10/62/58/337106258.db2.gz YZKORJHLNNRPNM-MRXNPFEDSA-N -1 3 319.351 4.157 20 0 DIADHM CC[C@@](C)(NCc1ccc([O-])c2nc(C)ccc12)C(F)(F)F ZINC000582713695 337124102 /nfs/dbraw/zinc/12/41/02/337124102.db2.gz LYKNWRRSQKHJLY-OAHLLOKOSA-N -1 3 312.335 4.069 20 0 DIADHM O=[S@@](Cc1ccc(Cl)cc1Cl)c1cccc([O-])c1 ZINC000184056224 337196987 /nfs/dbraw/zinc/19/69/87/337196987.db2.gz DSYKQPIUXPVTGS-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@@H](C)CC)nc2)n1 ZINC000582997859 337227030 /nfs/dbraw/zinc/22/70/30/337227030.db2.gz YBTBRMSSZQGJPE-STQMWFEESA-N -1 3 314.433 4.043 20 0 DIADHM [O-]c1cc(F)cc(CN2CCCCC[C@@H]2c2ccncc2)c1 ZINC000186154256 337254119 /nfs/dbraw/zinc/25/41/19/337254119.db2.gz OKYDDCOFIPKBOL-GOSISDBHSA-N -1 3 300.377 4.044 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(Br)ccc2C)c1[O-] ZINC000037415520 337363601 /nfs/dbraw/zinc/36/36/01/337363601.db2.gz JXGUEIFWTJOCNN-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM C[C@H](Oc1cccc(Cl)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000314808907 337389573 /nfs/dbraw/zinc/38/95/73/337389573.db2.gz BGLWIVVSLQFOES-JTQLQIEISA-N -1 3 316.744 4.236 20 0 DIADHM Cc1ccc(-c2cncc(C(=O)Nc3cccc([O-])c3F)c2)cc1 ZINC000128687886 337426358 /nfs/dbraw/zinc/42/63/58/337426358.db2.gz LKRHSVHBQKWWDB-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM CCC(C)(C)OCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000420503360 337504892 /nfs/dbraw/zinc/50/48/92/337504892.db2.gz LYYFPSPYSQLHAM-UHFFFAOYSA-N -1 3 312.369 4.301 20 0 DIADHM CCOc1cc(-c2noc(/C=C/c3cccs3)n2)ccc1[O-] ZINC000445428878 337728681 /nfs/dbraw/zinc/72/86/81/337728681.db2.gz XVNPBRLWKSJEFV-SOFGYWHQSA-N -1 3 314.366 4.073 20 0 DIADHM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1cscn1 ZINC000107167300 337826681 /nfs/dbraw/zinc/82/66/81/337826681.db2.gz YEVAJDCWYUQGEG-UHFFFAOYSA-N -1 3 314.341 4.327 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000533159320 337832037 /nfs/dbraw/zinc/83/20/37/337832037.db2.gz UIRHDPOFNYZSQS-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM C[C@@H](CCCC(=O)[O-])NCc1ccc(-c2ccccc2)cc1F ZINC000426659335 338037385 /nfs/dbraw/zinc/03/73/85/338037385.db2.gz DOTLXLQYJNZACK-AWEZNQCLSA-N -1 3 315.388 4.226 20 0 DIADHM O=C([O-])c1ccc(CNCc2cc(-c3ccccc3)cs2)cc1 ZINC000426693354 338038380 /nfs/dbraw/zinc/03/83/80/338038380.db2.gz CWJACYJDFUXPLJ-UHFFFAOYSA-N -1 3 323.417 4.403 20 0 DIADHM Cc1ccc([C@H](NCc2cc3c(ccc(C)c3C)[nH]2)C(=O)[O-])cc1 ZINC000426707018 338038756 /nfs/dbraw/zinc/03/87/56/338038756.db2.gz ZCHYRJINYSPNLD-IBGZPJMESA-N -1 3 322.408 4.009 20 0 DIADHM Cc1ccc([C@@H](NCc2cc3c(ccc(C)c3C)[nH]2)C(=O)[O-])cc1 ZINC000426707019 338038771 /nfs/dbraw/zinc/03/87/71/338038771.db2.gz ZCHYRJINYSPNLD-LJQANCHMSA-N -1 3 322.408 4.009 20 0 DIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000426721690 338039266 /nfs/dbraw/zinc/03/92/66/338039266.db2.gz DAVFKXTXRXICMR-BDJLRTHQSA-N -1 3 321.779 4.031 20 0 DIADHM CC(C)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000426744799 338040447 /nfs/dbraw/zinc/04/04/47/338040447.db2.gz DQOXRXVLZQPEBQ-DNVCBOLYSA-N -1 3 311.425 4.362 20 0 DIADHM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000426765032 338041256 /nfs/dbraw/zinc/04/12/56/338041256.db2.gz ZZLFGFJSUKHFTC-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM CC(F)(F)CC(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000428645711 338057625 /nfs/dbraw/zinc/05/76/25/338057625.db2.gz UHUDNWWIUBVLCM-SNVBAGLBSA-N -1 3 315.669 4.105 20 0 DIADHM Cc1cccc2sc(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC000431614352 338134688 /nfs/dbraw/zinc/13/46/88/338134688.db2.gz NPWMEKUQVLJGAY-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H](c2ccco2)C1 ZINC000431859091 338140367 /nfs/dbraw/zinc/14/03/67/338140367.db2.gz QKXVETUITPOWBD-IAQYHMDHSA-N -1 3 319.788 4.252 20 0 DIADHM Cc1ccc(F)c(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432692382 338163284 /nfs/dbraw/zinc/16/32/84/338163284.db2.gz COXAWANEXLUWAC-LGMDPLHJSA-N -1 3 320.367 4.001 20 0 DIADHM Cc1cc(F)ccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432710691 338163793 /nfs/dbraw/zinc/16/37/93/338163793.db2.gz POKDTVKPNUXTFV-GHRIWEEISA-N -1 3 320.367 4.001 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)ccc2F)CC)n1 ZINC000435339195 338237449 /nfs/dbraw/zinc/23/74/49/338237449.db2.gz PZRXQWJHHMTZCD-FLIBITNWSA-N -1 3 304.340 4.364 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c(Cl)c2)CC)n1 ZINC000435340048 338237458 /nfs/dbraw/zinc/23/74/58/338237458.db2.gz BEYXKQRBTBRKLA-XYOKQWHBSA-N -1 3 320.795 4.466 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)c(F)c2)CC)n1 ZINC000435339223 338237539 /nfs/dbraw/zinc/23/75/39/338237539.db2.gz QKNUFDCFPXABPO-WQLSENKSSA-N -1 3 320.795 4.466 20 0 DIADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000435796752 338249625 /nfs/dbraw/zinc/24/96/25/338249625.db2.gz IPNSHSXYIVJHGT-HNHYXYPQSA-N -1 3 301.773 4.034 20 0 DIADHM Cc1cccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000436488441 338274094 /nfs/dbraw/zinc/27/40/94/338274094.db2.gz RGFHVARHTWRCIM-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CSc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])ccn1 ZINC000436512850 338274693 /nfs/dbraw/zinc/27/46/93/338274693.db2.gz NRBBJHKELNKZMC-UHFFFAOYSA-N -1 3 316.426 4.059 20 0 DIADHM CCCCCN(CCCCC)C(=O)c1cc(OC)ccc1[O-] ZINC000436516670 338274891 /nfs/dbraw/zinc/27/48/91/338274891.db2.gz VBXIQTOJQIYPIZ-UHFFFAOYSA-N -1 3 307.434 4.223 20 0 DIADHM CCOc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1Cl ZINC000436520732 338275060 /nfs/dbraw/zinc/27/50/60/338275060.db2.gz IUDTVVQLUSKTCH-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c([O-])c1C ZINC000436525595 338275149 /nfs/dbraw/zinc/27/51/49/338275149.db2.gz BNOFSBVBMSLYKH-SFHVURJKSA-N -1 3 324.424 4.162 20 0 DIADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)c(Cl)cc1F ZINC000436529552 338275270 /nfs/dbraw/zinc/27/52/70/338275270.db2.gz BOVINFUBYDMZMS-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@]34CCCc3ccccc34)n2)cc1 ZINC000436530851 338275510 /nfs/dbraw/zinc/27/55/10/338275510.db2.gz GLHXJHQUPJBQQI-FXAWDEMLSA-N -1 3 318.376 4.204 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@]34CCCc3ccccc34)n2)cc1 ZINC000436531255 338275533 /nfs/dbraw/zinc/27/55/33/338275533.db2.gz GLHXJHQUPJBQQI-XLIONFOSSA-N -1 3 318.376 4.204 20 0 DIADHM CC[C@H](Oc1ccccc1C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436531369 338275552 /nfs/dbraw/zinc/27/55/52/338275552.db2.gz HLSWBHJXQVHNJN-HNNXBMFYSA-N -1 3 310.353 4.281 20 0 DIADHM CC[C@@H](Oc1ccccc1C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436531370 338275624 /nfs/dbraw/zinc/27/56/24/338275624.db2.gz HLSWBHJXQVHNJN-OAHLLOKOSA-N -1 3 310.353 4.281 20 0 DIADHM CC[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(OC)cc1 ZINC000436535743 338275760 /nfs/dbraw/zinc/27/57/60/338275760.db2.gz SJGKWKDHWBBJDR-ZDUSSCGKSA-N -1 3 324.380 4.187 20 0 DIADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc(OC)ccc1[O-] ZINC000436538516 338276118 /nfs/dbraw/zinc/27/61/18/338276118.db2.gz JVNHGPGXOIMBET-KRWDZBQOSA-N -1 3 313.397 4.014 20 0 DIADHM CN(Cc1ccoc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436544894 338276361 /nfs/dbraw/zinc/27/63/61/338276361.db2.gz AFCIXYYSWSECFX-UHFFFAOYSA-N -1 3 323.348 4.050 20 0 DIADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])[C@@H](C)c1cccnc1 ZINC000436551077 338276666 /nfs/dbraw/zinc/27/66/66/338276666.db2.gz WTPVXIHICZXXOG-AWEZNQCLSA-N -1 3 312.413 4.134 20 0 DIADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436551757 338276709 /nfs/dbraw/zinc/27/67/09/338276709.db2.gz RZFRTKPDOFRWGB-KMFMINBZSA-N -1 3 301.430 4.309 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c([O-])c1 ZINC000436551692 338276783 /nfs/dbraw/zinc/27/67/83/338276783.db2.gz RCHLBAKRJKXMLZ-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc(C(=O)N(CC2CC2)C2CCCCC2)c([O-])c1C ZINC000436560862 338277138 /nfs/dbraw/zinc/27/71/38/338277138.db2.gz FXYJJRKTHFGSQM-UHFFFAOYSA-N -1 3 301.430 4.194 20 0 DIADHM Cc1cccc(-c2nc(-c3cccc(Cl)c3F)no2)c1[O-] ZINC000436560886 338277146 /nfs/dbraw/zinc/27/71/46/338277146.db2.gz GBVLIPOHXUPBBV-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM C[C@@H](c1cccs1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436565506 338277312 /nfs/dbraw/zinc/27/73/12/338277312.db2.gz RMHVRSREISAABW-LBPRGKRZSA-N -1 3 315.438 4.166 20 0 DIADHM CC[C@H](CN(CC)C(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000436568246 338277507 /nfs/dbraw/zinc/27/75/07/338277507.db2.gz WJXBBHVWNXBLAJ-MRXNPFEDSA-N -1 3 311.425 4.357 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@@H]1C ZINC000436569429 338277653 /nfs/dbraw/zinc/27/76/53/338277653.db2.gz DMRDFWJJPXLDOA-ZIAGYGMSSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436576019 338278027 /nfs/dbraw/zinc/27/80/27/338278027.db2.gz PJJWLDOSVAOUTM-SUMWQHHRSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436579397 338278112 /nfs/dbraw/zinc/27/81/12/338278112.db2.gz YYQITXPEMPAOEE-UGSOOPFHSA-N -1 3 313.372 4.063 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000436580102 338278233 /nfs/dbraw/zinc/27/82/33/338278233.db2.gz FDVWWZFKNCNVMY-GJZGRUSLSA-N -1 3 323.392 4.057 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1[O-] ZINC000436583112 338278307 /nfs/dbraw/zinc/27/83/07/338278307.db2.gz NENQBXHWCOPUDY-UHFFFAOYSA-N -1 3 321.380 4.018 20 0 DIADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436583336 338278311 /nfs/dbraw/zinc/27/83/11/338278311.db2.gz JIVMOSIYNUTWKV-UHFFFAOYSA-N -1 3 311.425 4.059 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436582335 338278321 /nfs/dbraw/zinc/27/83/21/338278321.db2.gz HHLRDMCPQWSOHJ-RDJZCZTQSA-N -1 3 319.470 4.016 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436586390 338278496 /nfs/dbraw/zinc/27/84/96/338278496.db2.gz BOBVWPKBSSLUGE-KRWDZBQOSA-N -1 3 311.425 4.102 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccccc2[O-])cc1 ZINC000436586041 338278508 /nfs/dbraw/zinc/27/85/08/338278508.db2.gz AKWFDFJVYHBGAL-FUHWJXTLSA-N -1 3 309.409 4.109 20 0 DIADHM CC[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436584863 338278641 /nfs/dbraw/zinc/27/86/41/338278641.db2.gz NYXXEVBYZOONEI-CQSZACIVSA-N -1 3 311.381 4.057 20 0 DIADHM CC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436589127 338278698 /nfs/dbraw/zinc/27/86/98/338278698.db2.gz VKTHFLPBGBCUGI-WBVHZDCISA-N -1 3 309.409 4.048 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436588976 338278788 /nfs/dbraw/zinc/27/87/88/338278788.db2.gz JEIBPZDXYRCTOC-KRWDZBQOSA-N -1 3 311.425 4.102 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1 ZINC000436592944 338278859 /nfs/dbraw/zinc/27/88/59/338278859.db2.gz ZOZLOOGESGGVFQ-DYVFJYSZSA-N -1 3 313.372 4.063 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436592282 338278907 /nfs/dbraw/zinc/27/89/07/338278907.db2.gz SVBTWBNFBHAJRT-NEPJUHHUSA-N -1 3 302.374 4.135 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1 ZINC000436592949 338278913 /nfs/dbraw/zinc/27/89/13/338278913.db2.gz ZOZLOOGESGGVFQ-SUMWQHHRSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c1 ZINC000436592947 338278941 /nfs/dbraw/zinc/27/89/41/338278941.db2.gz ZOZLOOGESGGVFQ-GUYCJALGSA-N -1 3 313.372 4.063 20 0 DIADHM CC[C@H]1CCCC[C@@H]1c1noc(-c2cccc(OC)c2[O-])n1 ZINC000436592284 338278974 /nfs/dbraw/zinc/27/89/74/338278974.db2.gz SVBTWBNFBHAJRT-RYUDHWBXSA-N -1 3 302.374 4.135 20 0 DIADHM C[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436593455 338279054 /nfs/dbraw/zinc/27/90/54/338279054.db2.gz CBGKNGPVVPUHBU-MRXNPFEDSA-N -1 3 323.436 4.050 20 0 DIADHM CCCCn1ncc(NC(=O)c2cc(C)ccc2[O-])c1C(C)C ZINC000436596070 338279117 /nfs/dbraw/zinc/27/91/17/338279117.db2.gz PBHXUZILZBVNFX-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM CS[C@@H](C)CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436608196 338279678 /nfs/dbraw/zinc/27/96/78/338279678.db2.gz GNFFZHVBZWZHLU-NSHDSACASA-N -1 3 314.410 4.280 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3ccc[nH]3)n2)c2ccccc12 ZINC000436614297 338280199 /nfs/dbraw/zinc/28/01/99/338280199.db2.gz VZYOJVUABPIGNU-JXMROGBWSA-N -1 3 303.321 4.094 20 0 DIADHM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436620703 338280312 /nfs/dbraw/zinc/28/03/12/338280312.db2.gz BQZDLXDTFIILJM-KRWDZBQOSA-N -1 3 323.436 4.454 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cncs3)n2)c2ccccc12 ZINC000436619499 338280361 /nfs/dbraw/zinc/28/03/61/338280361.db2.gz RKRUKBVXPDCAFX-YVMONPNESA-N -1 3 321.361 4.222 20 0 DIADHM Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([O-])c1 ZINC000436626088 338280492 /nfs/dbraw/zinc/28/04/92/338280492.db2.gz GZYBXFZESXJUOW-BCDXTJNWSA-N -1 3 321.420 4.251 20 0 DIADHM CCN(Cc1cccc(F)c1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436635510 338280771 /nfs/dbraw/zinc/28/07/71/338280771.db2.gz OHEUDHWUZWIPLL-UHFFFAOYSA-N -1 3 315.388 4.317 20 0 DIADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccccc1[O-] ZINC000436636434 338280994 /nfs/dbraw/zinc/28/09/94/338280994.db2.gz QYQAWZBRMKGSOL-UHFFFAOYSA-N -1 3 317.388 4.331 20 0 DIADHM CCOc1cc(-c2nc3cc(F)ccc3[nH]2)cc(Cl)c1[O-] ZINC000436656255 338281864 /nfs/dbraw/zinc/28/18/64/338281864.db2.gz MAJIFXCFRCPQSS-UHFFFAOYSA-N -1 3 306.724 4.127 20 0 DIADHM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436666170 338282125 /nfs/dbraw/zinc/28/21/25/338282125.db2.gz TYEVGLGCXNGFEJ-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000436674062 338282332 /nfs/dbraw/zinc/28/23/32/338282332.db2.gz GRQYHIUVMCTYFH-UHOSZYNNSA-N -1 3 321.420 4.191 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436675742 338282417 /nfs/dbraw/zinc/28/24/17/338282417.db2.gz WWEYSYPYSQIWPL-UHFFFAOYSA-N -1 3 303.427 4.158 20 0 DIADHM CCCCOc1ccccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436686689 338282748 /nfs/dbraw/zinc/28/27/48/338282748.db2.gz PADVFRZOJLIYTM-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM CCc1cc(C(=O)N(C)[C@@H](CC)Cc2ccccc2)ccc1[O-] ZINC000436699992 338283373 /nfs/dbraw/zinc/28/33/73/338283373.db2.gz SOZBKIAIDWRHMT-SFHVURJKSA-N -1 3 311.425 4.048 20 0 DIADHM Cc1csc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000436710406 338283740 /nfs/dbraw/zinc/28/37/40/338283740.db2.gz SZRSCMPYYDSCQM-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000436723824 338284388 /nfs/dbraw/zinc/28/43/88/338284388.db2.gz WHESYJZVPMAYBY-GFCCVEGCSA-N -1 3 315.800 4.411 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436730317 338284421 /nfs/dbraw/zinc/28/44/21/338284421.db2.gz KVUYCMDXKNEUKO-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436727692 338284425 /nfs/dbraw/zinc/28/44/25/338284425.db2.gz BPAJTRZYVDSRKF-SJLPKXTDSA-N -1 3 309.409 4.191 20 0 DIADHM COc1cccc(-c2nc([C@@H]3CCCC(C)(C)C3)no2)c1[O-] ZINC000436736889 338284751 /nfs/dbraw/zinc/28/47/51/338284751.db2.gz HTQNPAJOTPZARQ-LLVKDONJSA-N -1 3 302.374 4.135 20 0 DIADHM CCOc1ccc(N(CC)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436761522 338286248 /nfs/dbraw/zinc/28/62/48/338286248.db2.gz KUNNCEBTKAWYDB-UHFFFAOYSA-N -1 3 313.397 4.074 20 0 DIADHM Cc1ccc(C(C)C)c(OCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436765921 338286392 /nfs/dbraw/zinc/28/63/92/338286392.db2.gz ADMUTEYGYHQCII-UHFFFAOYSA-N -1 3 324.380 4.453 20 0 DIADHM [O-]c1ccc(-c2noc(C[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000436770032 338286608 /nfs/dbraw/zinc/28/66/08/338286608.db2.gz PRTPPUKLOOSWIL-HNNXBMFYSA-N -1 3 306.365 4.105 20 0 DIADHM Cc1ccc(SCCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770416 338286860 /nfs/dbraw/zinc/28/68/60/338286860.db2.gz RBTWMELHWSMBLY-UHFFFAOYSA-N -1 3 312.394 4.085 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000436776553 338286979 /nfs/dbraw/zinc/28/69/79/338286979.db2.gz KPQSFNTZKWNBGY-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c([O-])c1C ZINC000436783901 338287210 /nfs/dbraw/zinc/28/72/10/338287210.db2.gz NYZQSPHOIRQAMX-QAPCUYQASA-N -1 3 323.436 4.417 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C)c(Cl)c3)n2)ccc1[O-] ZINC000436787841 338287505 /nfs/dbraw/zinc/28/75/05/338287505.db2.gz YYPSMKLAGRTNCI-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)ccc1[O-] ZINC000436793006 338287674 /nfs/dbraw/zinc/28/76/74/338287674.db2.gz QFAUEVGAPGNYBA-RVKKMQEKSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)ccc1[O-] ZINC000436793002 338287676 /nfs/dbraw/zinc/28/76/76/338287676.db2.gz QFAUEVGAPGNYBA-IIDMSEBBSA-N -1 3 309.409 4.107 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436808520 338288091 /nfs/dbraw/zinc/28/80/91/338288091.db2.gz LPGGYRPUWBBWKQ-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c([O-])c1 ZINC000436808523 338288123 /nfs/dbraw/zinc/28/81/23/338288123.db2.gz LPGGYRPUWBBWKQ-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436817867 338288515 /nfs/dbraw/zinc/28/85/15/338288515.db2.gz IYIVBCBHVNSCAK-WYMLVPIESA-N -1 3 309.409 4.185 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC2(C1)CCCC2 ZINC000436827117 338288723 /nfs/dbraw/zinc/28/87/23/338288723.db2.gz JFVKBQYYOUEIID-UHFFFAOYSA-N -1 3 323.392 4.201 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000436829523 338289028 /nfs/dbraw/zinc/28/90/28/338289028.db2.gz BHFURQAPALLCFU-KBXCAEBGSA-N -1 3 323.392 4.199 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c([O-])c1C ZINC000436855239 338290075 /nfs/dbraw/zinc/29/00/75/338290075.db2.gz VEJSLTTVEFQKEW-KRWDZBQOSA-N -1 3 309.409 4.029 20 0 DIADHM CCc1ccc(-c2nc([C@H]3CCc4ccccc43)no2)c([O-])c1 ZINC000436856673 338290244 /nfs/dbraw/zinc/29/02/44/338290244.db2.gz MYWRVVXRZMMCMF-HNNXBMFYSA-N -1 3 306.365 4.083 20 0 DIADHM CCc1nc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])cs1 ZINC000436865194 338290479 /nfs/dbraw/zinc/29/04/79/338290479.db2.gz RQDKQNKWCNSCDH-NSHDSACASA-N -1 3 318.442 4.026 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(Cl)s3)n2)cc1 ZINC000436867231 338290588 /nfs/dbraw/zinc/29/05/88/338290588.db2.gz BHEXBHUCNQIEJR-GHMZBOCLSA-N -1 3 318.785 4.428 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3Cl)n2)cc1 ZINC000436867542 338290604 /nfs/dbraw/zinc/29/06/04/338290604.db2.gz CTMGBDTWBHOELJ-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM CCCOC1(c2noc(-c3ccccc3[O-])n2)CCCCC1 ZINC000436880334 338291453 /nfs/dbraw/zinc/29/14/53/338291453.db2.gz JCBGBBZUZSKONC-UHFFFAOYSA-N -1 3 302.374 4.028 20 0 DIADHM Cc1cccc(-c2nc(C3(c4cc(F)ccc4C)CC3)no2)c1[O-] ZINC000436888378 338291887 /nfs/dbraw/zinc/29/18/87/338291887.db2.gz UGYUFVANEWBLPY-UHFFFAOYSA-N -1 3 324.355 4.278 20 0 DIADHM Cc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)c([O-])c1C ZINC000436890765 338292084 /nfs/dbraw/zinc/29/20/84/338292084.db2.gz GJBPAVVEEJDKGE-UHFFFAOYSA-N -1 3 314.772 4.303 20 0 DIADHM Cc1coc(-c2cc(NC(=O)c3ccc([O-])c(C)c3)ccc2C)n1 ZINC000436906062 338292813 /nfs/dbraw/zinc/29/28/13/338292813.db2.gz VDDJZGAVCRFABF-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1cc(C(=O)N[C@H](C)c2cccc3ccccc32)ccc1[O-] ZINC000436905424 338292815 /nfs/dbraw/zinc/29/28/15/338292815.db2.gz SPQGYTDDMRZAQU-CQSZACIVSA-N -1 3 305.377 4.345 20 0 DIADHM CSCc1ccc(-c2noc(-c3cccc(C)c3[O-])n2)cc1 ZINC000436905550 338292840 /nfs/dbraw/zinc/29/28/40/338292840.db2.gz APLNMPDUCCMESW-UHFFFAOYSA-N -1 3 312.394 4.281 20 0 DIADHM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc([O-])c(C)c1 ZINC000436903701 338292889 /nfs/dbraw/zinc/29/28/89/338292889.db2.gz NUBXNPCMTBEGQK-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])c(C)c1 ZINC000436906704 338292926 /nfs/dbraw/zinc/29/29/26/338292926.db2.gz WNVOJERNINGNNC-UHFFFAOYSA-N -1 3 309.818 4.078 20 0 DIADHM COc1cc(C)cc(-c2nc(C3CCC(C)CC3)no2)c1[O-] ZINC000436916976 338293226 /nfs/dbraw/zinc/29/32/26/338293226.db2.gz BZJLDEGPNNIYHN-UHFFFAOYSA-N -1 3 302.374 4.053 20 0 DIADHM Cc1[nH]c2ccc(-c3noc(-c4ccccc4[O-])n3)cc2c1C ZINC000436917362 338293359 /nfs/dbraw/zinc/29/33/59/338293359.db2.gz DJWAGZZXOLULAU-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])c(C)c1 ZINC000436919928 338293463 /nfs/dbraw/zinc/29/34/63/338293463.db2.gz DYHMWJGMNISRFC-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CSCc1ccc(-c2noc(-c3ccc(C)cc3[O-])n2)cc1 ZINC000436922179 338293498 /nfs/dbraw/zinc/29/34/98/338293498.db2.gz ZGZFSRFSJWOGEH-UHFFFAOYSA-N -1 3 312.394 4.281 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2SC(C)C)ccc1[O-] ZINC000436927308 338293879 /nfs/dbraw/zinc/29/38/79/338293879.db2.gz RLAQWPQQUTWZDN-UHFFFAOYSA-N -1 3 301.411 4.453 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000436928132 338293959 /nfs/dbraw/zinc/29/39/59/338293959.db2.gz QBRCLQZOTNMMJO-HLLBOEOZSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1cc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000436928680 338294058 /nfs/dbraw/zinc/29/40/58/338294058.db2.gz WQQOUKHQYXNMKD-SGTLLEGYSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000436928682 338294073 /nfs/dbraw/zinc/29/40/73/338294073.db2.gz WQQOUKHQYXNMKD-XIKOKIGWSA-N -1 3 313.372 4.063 20 0 DIADHM [O-]c1ccccc1-c1nc(CCCc2ccccc2Cl)no1 ZINC000436928178 338294087 /nfs/dbraw/zinc/29/40/87/338294087.db2.gz QNSRNAWSHWXXNG-UHFFFAOYSA-N -1 3 314.772 4.271 20 0 DIADHM COc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)no2)c1[O-] ZINC000436934209 338294470 /nfs/dbraw/zinc/29/44/70/338294470.db2.gz SHPMRUZRFKQWDL-UHFFFAOYSA-N -1 3 310.353 4.043 20 0 DIADHM Cc1cccc(-c2nc([C@@H](C)c3c(F)cccc3F)no2)c1[O-] ZINC000436937479 338294622 /nfs/dbraw/zinc/29/46/22/338294622.db2.gz YROOBFSLTGBVME-JTQLQIEISA-N -1 3 316.307 4.181 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000436939925 338294812 /nfs/dbraw/zinc/29/48/12/338294812.db2.gz SBEQRZMTSRRXPI-SFHVURJKSA-N -1 3 311.425 4.102 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c([O-])c1 ZINC000436942325 338294991 /nfs/dbraw/zinc/29/49/91/338294991.db2.gz VGJWIUWLQDXLRS-UHFFFAOYSA-N -1 3 320.352 4.109 20 0 DIADHM CCS[C@H](C)c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436944138 338295122 /nfs/dbraw/zinc/29/51/22/338295122.db2.gz MANBLYOIPAFRMQ-SNVBAGLBSA-N -1 3 304.415 4.135 20 0 DIADHM C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952929 338295473 /nfs/dbraw/zinc/29/54/73/338295473.db2.gz ZWLWZXXAOKHEIT-LBPRGKRZSA-N -1 3 315.438 4.166 20 0 DIADHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c([O-])c1 ZINC000436971928 338296321 /nfs/dbraw/zinc/29/63/21/338296321.db2.gz MMSOJHYSKIRUDK-GOSISDBHSA-N -1 3 307.393 4.068 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c([O-])c1C ZINC000436979017 338296581 /nfs/dbraw/zinc/29/65/81/338296581.db2.gz JQZDUQAOHQLWGW-DOTOQJQBSA-N -1 3 323.436 4.336 20 0 DIADHM [O-]c1cc2c(cc1-c1nc(Cc3ccccc3F)no1)CCCC2 ZINC000436990828 338297074 /nfs/dbraw/zinc/29/70/74/338297074.db2.gz QBXNEBQKAAPTHN-UHFFFAOYSA-N -1 3 324.355 4.051 20 0 DIADHM Cc1cccc(-c2nc(-c3ccccc3C(F)(F)F)no2)c1[O-] ZINC000437000283 338297423 /nfs/dbraw/zinc/29/74/23/338297423.db2.gz MRZMZYMZWJKPFD-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1[O-] ZINC000437442569 338310283 /nfs/dbraw/zinc/31/02/83/338310283.db2.gz NUUOTBMYMPZIIZ-KOMQPUFPSA-N -1 3 315.800 4.030 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438892240 338354814 /nfs/dbraw/zinc/35/48/14/338354814.db2.gz FNZUIDBTPBHEJG-CHWSQXEVSA-N -1 3 322.191 4.441 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000438892249 338354843 /nfs/dbraw/zinc/35/48/43/338354843.db2.gz FNZUIDBTPBHEJG-OLZOCXBDSA-N -1 3 322.191 4.441 20 0 DIADHM CC[C@@H](C)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])on1 ZINC000438892212 338354886 /nfs/dbraw/zinc/35/48/86/338354886.db2.gz IMFQQIVTSBPYSR-LLVKDONJSA-N -1 3 316.401 4.444 20 0 DIADHM CCCc1ncc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])s1 ZINC000438893134 338354949 /nfs/dbraw/zinc/35/49/49/338354949.db2.gz JZAOIKYXFCVCQL-UHFFFAOYSA-N -1 3 318.442 4.351 20 0 DIADHM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439097781 338360917 /nfs/dbraw/zinc/36/09/17/338360917.db2.gz NCALTEPYYBJHPB-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])C1(Cc2ccccc2Cl)CC1 ZINC000439757991 338377362 /nfs/dbraw/zinc/37/73/62/338377362.db2.gz PHPBVGXUFUODJQ-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c([O-])c1C ZINC000439806310 338378866 /nfs/dbraw/zinc/37/88/66/338378866.db2.gz KMNDVQOYFXPKGC-UHFFFAOYSA-N -1 3 323.314 4.366 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC3(C2)CCCCC3)c([O-])c1 ZINC000440194882 338384159 /nfs/dbraw/zinc/38/41/59/338384159.db2.gz GTFMLPQDEAADSE-UHFFFAOYSA-N -1 3 301.430 4.312 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c1 ZINC000440187479 338384189 /nfs/dbraw/zinc/38/41/89/338384189.db2.gz COCPTOXUOYXPKM-QAPCUYQASA-N -1 3 323.436 4.220 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1C ZINC000440295867 338385159 /nfs/dbraw/zinc/38/51/59/338385159.db2.gz XNJKQNOQGYQDMA-UHFFFAOYSA-N -1 3 323.314 4.366 20 0 DIADHM CN(Cc1ccco1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157009663 338399248 /nfs/dbraw/zinc/39/92/48/338399248.db2.gz IMEDUJKGDSYDNJ-UHFFFAOYSA-N -1 3 323.348 4.050 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1Cl ZINC000449348837 338616054 /nfs/dbraw/zinc/61/60/54/338616054.db2.gz HEKOWGBJGJUOEM-HNNXBMFYSA-N -1 3 323.770 4.491 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2scnc2C(C)C)c1[O-] ZINC000449884145 338657142 /nfs/dbraw/zinc/65/71/42/338657142.db2.gz APQCCHGBNAWKTJ-UHFFFAOYSA-N -1 3 310.806 4.186 20 0 DIADHM CC[C@H](CC(F)(F)F)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450942078 338713517 /nfs/dbraw/zinc/71/35/17/338713517.db2.gz UJKFLSJLDODAOA-WDEREUQCSA-N -1 3 315.335 4.211 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCC12CCCC2 ZINC000451192588 338725503 /nfs/dbraw/zinc/72/55/03/338725503.db2.gz LANGOJGAAVJQLP-GOSISDBHSA-N -1 3 323.436 4.317 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000452158169 338755873 /nfs/dbraw/zinc/75/58/73/338755873.db2.gz CAKJQMUYFLAMKM-INIZCTEOSA-N -1 3 323.436 4.127 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)C[C@H]1C=CCCC1 ZINC000452758155 338778058 /nfs/dbraw/zinc/77/80/58/338778058.db2.gz RKQISKPPUWIFAG-NSHDSACASA-N -1 3 324.218 4.148 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456597655 338935319 /nfs/dbraw/zinc/93/53/19/338935319.db2.gz WWWNBVVKLGPBJR-OAHLLOKOSA-N -1 3 317.772 4.006 20 0 DIADHM Cc1cccc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000457095964 338951405 /nfs/dbraw/zinc/95/14/05/338951405.db2.gz WVAXHXKBNARUET-AWEZNQCLSA-N -1 3 315.388 4.040 20 0 DIADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)ccc1[O-] ZINC000458027413 338986380 /nfs/dbraw/zinc/98/63/80/338986380.db2.gz MSSQMNJWJICTSY-ROUUACIJSA-N -1 3 309.409 4.109 20 0 DIADHM CCOc1cc(CNc2ncccc2CC)cc(Cl)c1[O-] ZINC000459477459 339031577 /nfs/dbraw/zinc/03/15/77/339031577.db2.gz MHMQCUUSXZXGHV-UHFFFAOYSA-N -1 3 306.793 4.014 20 0 DIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000461421464 339063579 /nfs/dbraw/zinc/06/35/79/339063579.db2.gz COVYNUUHAPCAON-LBPRGKRZSA-N -1 3 321.417 4.448 20 0 DIADHM CC[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000461448889 339064044 /nfs/dbraw/zinc/06/40/44/339064044.db2.gz VVEPTEMDMYVPNJ-ZDUSSCGKSA-N -1 3 307.752 4.317 20 0 DIADHM Cc1noc([N-]C(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1C ZINC000461514905 339064655 /nfs/dbraw/zinc/06/46/55/339064655.db2.gz LNRPFWSRDKTBSX-KRWDZBQOSA-N -1 3 322.364 4.050 20 0 DIADHM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000461792339 339067213 /nfs/dbraw/zinc/06/72/13/339067213.db2.gz ZNYSRHONRXTGTP-INIZCTEOSA-N -1 3 319.788 4.088 20 0 DIADHM O=C(Nc1cc2c(cn1)CCCC2)c1cc([O-])c2ccccc2c1 ZINC000462980526 339099601 /nfs/dbraw/zinc/09/96/01/339099601.db2.gz JWJBWMLZGBQHSC-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000468389729 339261386 /nfs/dbraw/zinc/26/13/86/339261386.db2.gz LEDYCDFDIVVTSL-NVXWUHKLSA-N -1 3 319.420 4.035 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000468391396 339261551 /nfs/dbraw/zinc/26/15/51/339261551.db2.gz DGPSLXPPODUQCH-UHFFFAOYSA-N -1 3 307.409 4.035 20 0 DIADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000468423724 339262576 /nfs/dbraw/zinc/26/25/76/339262576.db2.gz QMUARUITXJFASP-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CC[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000468428625 339262722 /nfs/dbraw/zinc/26/27/22/339262722.db2.gz QWPHQDHIROHULH-GDBMZVCRSA-N -1 3 309.409 4.426 20 0 DIADHM Cc1cc(Cl)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468537007 339265600 /nfs/dbraw/zinc/26/56/00/339265600.db2.gz OUWJRNKUIFNKBA-UHFFFAOYSA-N -1 3 321.779 4.455 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCc2c1cccc2-c1ccccc1 ZINC000468604548 339267069 /nfs/dbraw/zinc/26/70/69/339267069.db2.gz ZWWREXHYQGQPID-UHFFFAOYSA-N -1 3 315.372 4.262 20 0 DIADHM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468890133 339273875 /nfs/dbraw/zinc/27/38/75/339273875.db2.gz JJLAOYGHQBRDCQ-HZPDHXFCSA-N -1 3 321.436 4.185 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC12CCCCC2 ZINC000468937088 339275312 /nfs/dbraw/zinc/27/53/12/339275312.db2.gz KWCKKYVBWBBXGB-UHFFFAOYSA-N -1 3 319.420 4.179 20 0 DIADHM CN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCC(C)(C)CC1 ZINC000469013450 339277676 /nfs/dbraw/zinc/27/76/76/339277676.db2.gz OHLJAWCZZMJEIF-UHFFFAOYSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2)c2c([O-])cccc21 ZINC000469089319 339279751 /nfs/dbraw/zinc/27/97/51/339279751.db2.gz QRVANGKMGZSQEV-GFCCVEGCSA-N -1 3 315.800 4.129 20 0 DIADHM C[C@H]1CCN(C(=O)[C@H]2CCCc3ccccc32)c2c([O-])cccc21 ZINC000469132722 339281052 /nfs/dbraw/zinc/28/10/52/339281052.db2.gz TVMLLZHOUHQNIL-KSSFIOAISA-N -1 3 321.420 4.353 20 0 DIADHM CCCC[C@H](CCC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469204323 339283049 /nfs/dbraw/zinc/28/30/49/339283049.db2.gz 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/nfs/dbraw/zinc/38/19/17/339381917.db2.gz NACZGNAIJQCWOI-UHFFFAOYSA-N -1 3 317.772 4.148 20 0 DIADHM Cc1cc(C)cc(N(C)C(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000475254370 339442823 /nfs/dbraw/zinc/44/28/23/339442823.db2.gz PZPUGAMGGHKSIU-UHFFFAOYSA-N -1 3 323.314 4.304 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2cc(F)ccc2F)n1 ZINC000477356221 339493065 /nfs/dbraw/zinc/49/30/65/339493065.db2.gz SMFRIXGSEHICDV-VIFPVBQESA-N -1 3 310.369 4.017 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3cccnc3)ccc2C)c1 ZINC000477538438 339497076 /nfs/dbraw/zinc/49/70/76/339497076.db2.gz UJNVQMFFLCFNHC-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1coc2ccc(NC(=O)Cc3ccc([O-])cc3Cl)cc12 ZINC000480056182 339557001 /nfs/dbraw/zinc/55/70/01/339557001.db2.gz OJRPUUJATCJQIR-UHFFFAOYSA-N -1 3 315.756 4.281 20 0 DIADHM O=C(C[C@@H]1CCc2ccccc2C1)Nc1cc(Cl)ccc1[O-] ZINC000481643241 339608438 /nfs/dbraw/zinc/60/84/38/339608438.db2.gz VGTWKEALDHVWIL-GFCCVEGCSA-N -1 3 315.800 4.179 20 0 DIADHM Cc1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000485345807 339701618 /nfs/dbraw/zinc/70/16/18/339701618.db2.gz CEVNQNWKMWSQCD-UHFFFAOYSA-N -1 3 305.164 4.205 20 0 DIADHM Cc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)ccn1 ZINC000485365569 339701950 /nfs/dbraw/zinc/70/19/50/339701950.db2.gz KVGKUZYNQZNZLN-UHFFFAOYSA-N -1 3 306.152 4.013 20 0 DIADHM O=C(Nc1ccc2c[nH]nc2c1)c1cc2cc(Cl)sc2[n-]1 ZINC000485683340 339709110 /nfs/dbraw/zinc/70/91/10/339709110.db2.gz ICNCJEXDLZBROY-UHFFFAOYSA-N -1 3 316.773 4.011 20 0 DIADHM Cc1cccc(-c2noc(Cc3ccc([O-])cc3Cl)n2)c1F ZINC000485858408 339714660 /nfs/dbraw/zinc/71/46/60/339714660.db2.gz XJADSZMEQYMUKF-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CCc1cc(C(=O)Nc2sc(C)nc2CC(C)C)ccc1[O-] ZINC000486616499 339729942 /nfs/dbraw/zinc/72/99/42/339729942.db2.gz GCXGKGPJESYEPE-UHFFFAOYSA-N -1 3 318.442 4.170 20 0 DIADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](C)C2 ZINC000498656465 340021617 /nfs/dbraw/zinc/02/16/17/340021617.db2.gz DDCUFOGBDOMXTL-DIFFPNOSSA-N -1 3 315.800 4.017 20 0 DIADHM CCCNc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000498915902 340025819 /nfs/dbraw/zinc/02/58/19/340025819.db2.gz YRLYXHLHFFXPST-UHFFFAOYSA-N -1 3 304.777 4.120 20 0 DIADHM Cc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)ccc1[O-] ZINC000499599614 340040388 /nfs/dbraw/zinc/04/03/88/340040388.db2.gz SXTUJEVXMNSHFJ-UHFFFAOYSA-N -1 3 323.396 4.127 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(-c3nccs3)c2)ccc1[O-] ZINC000499781452 340044763 /nfs/dbraw/zinc/04/47/63/340044763.db2.gz STSFJFCYRYETOB-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1[O-] ZINC000500150043 340051378 /nfs/dbraw/zinc/05/13/78/340051378.db2.gz RODKUPMRWCZNDW-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000501974559 340091855 /nfs/dbraw/zinc/09/18/55/340091855.db2.gz HNVFVZLNWDTCJE-LLVKDONJSA-N -1 3 311.372 4.454 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)c([O-])c1 ZINC000502664804 340109828 /nfs/dbraw/zinc/10/98/28/340109828.db2.gz IHKWNDNSVBUYSD-XDQVBPFNSA-N -1 3 311.381 4.159 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCCC(F)(F)C1 ZINC000503720469 340134045 /nfs/dbraw/zinc/13/40/45/340134045.db2.gz YOZCHDLRLCWVPF-MRVPVSSYSA-N -1 3 323.261 4.175 20 0 DIADHM CCSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000505287162 340165581 /nfs/dbraw/zinc/16/55/81/340165581.db2.gz IKUOUSPCLWXMII-UHFFFAOYSA-N -1 3 321.467 4.216 20 0 DIADHM CC[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1ccc(OC)cc1 ZINC000505325534 340166200 /nfs/dbraw/zinc/16/62/00/340166200.db2.gz OGFQTJVQZORTMC-GFCCVEGCSA-N -1 3 317.360 4.062 20 0 DIADHM CCSc1cccc(NC(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000506007888 340183189 /nfs/dbraw/zinc/18/31/89/340183189.db2.gz OSNMYNSWTUHNBI-UHFFFAOYSA-N -1 3 323.421 4.441 20 0 DIADHM Cc1nc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])ccc2o1 ZINC000506227472 340189206 /nfs/dbraw/zinc/18/92/06/340189206.db2.gz KYOBXZFGNXKDRP-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)C(C)(C)c2cccnc2)c([O-])c1 ZINC000506234109 340189548 /nfs/dbraw/zinc/18/95/48/340189548.db2.gz XDHKCTDHFSMFGC-UHFFFAOYSA-N -1 3 312.413 4.001 20 0 DIADHM CC(=O)c1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506246411 340189864 /nfs/dbraw/zinc/18/98/64/340189864.db2.gz FDOCSHFJMXFIRO-UHFFFAOYSA-N -1 3 311.381 4.145 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(-c3nccs3)cc2)c1F ZINC000506845418 340202690 /nfs/dbraw/zinc/20/26/90/340202690.db2.gz CQHWLVZUAFIRTF-UHFFFAOYSA-N -1 3 318.348 4.406 20 0 DIADHM Cc1ccc([O-])c(CN(C)Cc2c(Cl)cccc2Cl)n1 ZINC000507110367 340207768 /nfs/dbraw/zinc/20/77/68/340207768.db2.gz JPWJTPHFHVGVBJ-UHFFFAOYSA-N -1 3 311.212 4.034 20 0 DIADHM Cc1ccccc1C(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000508062575 340238598 /nfs/dbraw/zinc/23/85/98/340238598.db2.gz LTVIHGPRBVQFIW-UHFFFAOYSA-N -1 3 303.789 4.019 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000508605202 340247768 /nfs/dbraw/zinc/24/77/68/340247768.db2.gz KDHZAULPOGDSEW-ZDUSSCGKSA-N -1 3 317.816 4.082 20 0 DIADHM Cc1ccccc1[C@@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000508613116 340248107 /nfs/dbraw/zinc/24/81/07/340248107.db2.gz HXXITWSTRLCMHG-CYBMUJFWSA-N -1 3 317.816 4.116 20 0 DIADHM COc1ccccc1[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000508707700 340251131 /nfs/dbraw/zinc/25/11/31/340251131.db2.gz VRJBRDYNQRUOLW-CYBMUJFWSA-N -1 3 317.816 4.044 20 0 DIADHM CC(C)[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000508769058 340252752 /nfs/dbraw/zinc/25/27/52/340252752.db2.gz IWNCNUKHFZVQHB-GOSISDBHSA-N -1 3 317.816 4.102 20 0 DIADHM CCc1sc(NC(=O)c2cccc([O-])c2)nc1-c1ccccc1 ZINC000508777927 340253032 /nfs/dbraw/zinc/25/30/32/340253032.db2.gz KLFOQOFEROOCID-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cn1cccc1[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000508968463 340256430 /nfs/dbraw/zinc/25/64/30/340256430.db2.gz QMXJWGGDRQRYMU-OAHLLOKOSA-N -1 3 304.821 4.111 20 0 DIADHM CC(C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1Cl ZINC000508983094 340257004 /nfs/dbraw/zinc/25/70/04/340257004.db2.gz BLASEGRFJRAFHM-MRXNPFEDSA-N -1 3 303.789 4.173 20 0 DIADHM O=C(NCCCc1ccc(Cl)cc1Cl)c1cccc([O-])c1 ZINC000509019517 340258441 /nfs/dbraw/zinc/25/84/41/340258441.db2.gz YGNYLEAKGSCVFS-UHFFFAOYSA-N -1 3 324.207 4.062 20 0 DIADHM CCCC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCC1 ZINC000509022013 340258517 /nfs/dbraw/zinc/25/85/17/340258517.db2.gz JSZWZNAHQDAGJX-MRXNPFEDSA-N -1 3 309.837 4.063 20 0 DIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1[O-] ZINC000301750204 340260449 /nfs/dbraw/zinc/26/04/49/340260449.db2.gz QHUZCAJFBDERMV-UHFFFAOYSA-N -1 3 309.818 4.078 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(CC(F)(F)F)cc2)c1F ZINC000509214071 340263993 /nfs/dbraw/zinc/26/39/93/340263993.db2.gz YSUHPEVERCNWHQ-UHFFFAOYSA-N -1 3 317.257 4.387 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@@H]1CCCC[C@@H]1C ZINC000509321115 340266250 /nfs/dbraw/zinc/26/62/50/340266250.db2.gz JPOJMVOVGNSQHE-BLLLJJGKSA-N -1 3 309.837 4.015 20 0 DIADHM CC(C)Oc1ccc(F)cc1NCc1c(F)ccc([O-])c1F ZINC000509430891 340269247 /nfs/dbraw/zinc/26/92/47/340269247.db2.gz MAAWZOFMVYJRJZ-UHFFFAOYSA-N -1 3 311.303 4.209 20 0 DIADHM COc1ccc(OC(C)C)c(NCc2c(F)ccc([O-])c2F)c1 ZINC000509439540 340269454 /nfs/dbraw/zinc/26/94/54/340269454.db2.gz WLWHZNHGQPLMNI-UHFFFAOYSA-N -1 3 323.339 4.078 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)ccc1[O-] ZINC000509723182 340277874 /nfs/dbraw/zinc/27/78/74/340277874.db2.gz WJAGVZSUFLXUAN-LECLMCCNSA-N -1 3 307.393 4.019 20 0 DIADHM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000509924046 340282891 /nfs/dbraw/zinc/28/28/91/340282891.db2.gz KKWYTIVIPRGBEA-HKUYNNGSSA-N -1 3 317.388 4.079 20 0 DIADHM CCc1ccc(CN(C(=O)c2cccc(C)c2[O-])C2CC2)cc1 ZINC000302930482 340287874 /nfs/dbraw/zinc/28/78/74/340287874.db2.gz FDQFLTPSXXTSIA-UHFFFAOYSA-N -1 3 309.409 4.068 20 0 DIADHM [O-]c1ccc(F)c(CNCCc2csc3ccccc23)c1F ZINC000510271824 340294819 /nfs/dbraw/zinc/29/48/19/340294819.db2.gz PSFVIQMWXNSKDT-UHFFFAOYSA-N -1 3 319.376 4.217 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000511540094 340329959 /nfs/dbraw/zinc/32/99/59/340329959.db2.gz 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/nfs/dbraw/zinc/39/60/10/340396010.db2.gz HLLSILHRHVXJIY-GFCCVEGCSA-N -1 3 321.770 4.456 20 0 DIADHM O=C(Nc1ccccc1Nc1ccccc1)c1cccc([O-])c1 ZINC000182884085 340485694 /nfs/dbraw/zinc/48/56/94/340485694.db2.gz VDPQVJVKJMVUDT-UHFFFAOYSA-N -1 3 304.349 4.388 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000183038667 340486178 /nfs/dbraw/zinc/48/61/78/340486178.db2.gz LDCVMZPTCWYDGG-GFCCVEGCSA-N -1 3 319.401 4.207 20 0 DIADHM Cc1ccccc1-c1nc(C(=O)Nc2c(C)cccc2[O-])cs1 ZINC000183040450 340486209 /nfs/dbraw/zinc/48/62/09/340486209.db2.gz XLAWVTXQUHBFSX-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000183073931 340486472 /nfs/dbraw/zinc/48/64/72/340486472.db2.gz XBAYCQLMTAPRRG-LLVKDONJSA-N -1 3 305.324 4.111 20 0 DIADHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc([O-])cc1F ZINC000183274287 340487246 /nfs/dbraw/zinc/48/72/46/340487246.db2.gz NPKQZZXPCLHBRV-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM [O-]c1cc(F)cc(CN[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000185515816 340502240 /nfs/dbraw/zinc/50/22/40/340502240.db2.gz PDJFYNPKWQBSEP-SFHVURJKSA-N -1 3 303.352 4.301 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc(Cl)c2F)c2c([O-])cccc21 ZINC000186321322 340511167 /nfs/dbraw/zinc/51/11/67/340511167.db2.gz ODYYYFWPTQQDIJ-JTQLQIEISA-N -1 3 319.763 4.339 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)c2c([O-])cccc21 ZINC000186316061 340511260 /nfs/dbraw/zinc/51/12/60/340511260.db2.gz KHGXQXFOWQAVOG-GFCCVEGCSA-N -1 3 306.365 4.028 20 0 DIADHM O=C([O-])CC[C@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000521587461 340525585 /nfs/dbraw/zinc/52/55/85/340525585.db2.gz XULNNENRWXZLEB-INIZCTEOSA-N -1 3 319.351 4.320 20 0 DIADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCCc2ccccc21 ZINC000303152749 340633344 /nfs/dbraw/zinc/63/33/44/340633344.db2.gz RSJFJOQEDCNZTM-GOSISDBHSA-N -1 3 315.800 4.278 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)on1 ZINC000525133077 340692066 /nfs/dbraw/zinc/69/20/66/340692066.db2.gz FAALWZUHLIGTDN-UHFFFAOYSA-N -1 3 320.414 4.341 20 0 DIADHM Cc1ccc(NC(=O)c2cccc(-c3cscn3)c2)c([O-])c1 ZINC000525237873 340696477 /nfs/dbraw/zinc/69/64/77/340696477.db2.gz WITARXREESPUQT-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cncc2ccccc21 ZINC000530337398 340788515 /nfs/dbraw/zinc/78/85/15/340788515.db2.gz OAGXQEJLAJVZCU-UHFFFAOYSA-N -1 3 324.355 4.041 20 0 DIADHM CCCc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000126830334 340837526 /nfs/dbraw/zinc/83/75/26/340837526.db2.gz AAWUGQWSNOZPKF-UHFFFAOYSA-N -1 3 313.382 4.003 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H](Oc1ccccc1)c1ccccc1 ZINC000127487512 340851768 /nfs/dbraw/zinc/85/17/68/340851768.db2.gz KVNOLRPALDWSMU-LJQANCHMSA-N -1 3 319.360 4.151 20 0 DIADHM CC(C)(C)O[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128452174 340886515 /nfs/dbraw/zinc/88/65/15/340886515.db2.gz BPBQHNACHUOQPK-MRXNPFEDSA-N -1 3 317.360 4.026 20 0 DIADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc([O-])c1 ZINC000540962172 340953551 /nfs/dbraw/zinc/95/35/51/340953551.db2.gz TUNYIFJXUSEUCJ-HXUWFJFHSA-N -1 3 317.388 4.106 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-c2cccs2)o1 ZINC000543096593 341031848 /nfs/dbraw/zinc/03/18/48/341031848.db2.gz IZSXDMCCKVEBQF-UHFFFAOYSA-N -1 3 303.314 4.105 20 0 DIADHM CC(C)c1ccc(SCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000543956754 341064267 /nfs/dbraw/zinc/06/42/67/341064267.db2.gz HMOQJCGLDGLEAQ-UHFFFAOYSA-N -1 3 319.401 4.386 20 0 DIADHM Cc1cccc(C)c1[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000545508275 341127753 /nfs/dbraw/zinc/12/77/53/341127753.db2.gz JSUCRVYWXCQQBD-CYBMUJFWSA-N -1 3 317.816 4.082 20 0 DIADHM Cc1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)c([O-])c1 ZINC000545661913 341135283 /nfs/dbraw/zinc/13/52/83/341135283.db2.gz WZQOOUFHCUYOFH-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM Cc1cc(OC(F)F)c(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000074396241 341145335 /nfs/dbraw/zinc/14/53/35/341145335.db2.gz ITBDJQRAVBSCNI-UHFFFAOYSA-N -1 3 319.279 4.188 20 0 DIADHM Cc1ccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1C ZINC000546660385 341177644 /nfs/dbraw/zinc/17/76/44/341177644.db2.gz CJBOWFJLSHGPLH-AWEZNQCLSA-N -1 3 309.409 4.092 20 0 DIADHM Cc1ccc([O-])c(-c2nc(C(F)(F)c3ccc(F)cc3)no2)c1 ZINC000547074560 341194657 /nfs/dbraw/zinc/19/46/57/341194657.db2.gz JMQCOUDAGJFLAG-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM CCc1cccc(-c2nc([C@@H](C)c3cccs3)no2)c1[O-] ZINC000547159299 341198757 /nfs/dbraw/zinc/19/87/57/341198757.db2.gz IFPDCHDKWXOJGN-JTQLQIEISA-N -1 3 300.383 4.218 20 0 DIADHM O=C(Nc1ccc(Cl)cc1F)c1c[n-]nc1-c1ccccc1 ZINC000078302016 341240071 /nfs/dbraw/zinc/24/00/71/341240071.db2.gz IVBSAAPVSSXKKU-UHFFFAOYSA-N -1 3 315.735 4.122 20 0 DIADHM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000548283190 341254310 /nfs/dbraw/zinc/25/43/10/341254310.db2.gz KQUHFRCLZDKSFK-UHFFFAOYSA-N -1 3 309.818 4.012 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1F)c1occc1Br ZINC000080941950 341277101 /nfs/dbraw/zinc/27/71/01/341277101.db2.gz AILPQMBQTSVOMU-UHFFFAOYSA-N -1 3 318.529 4.087 20 0 DIADHM CCc1cccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c1[O-] ZINC000548891710 341280110 /nfs/dbraw/zinc/28/01/10/341280110.db2.gz WMERIVZLXKSVNO-JKSUJKDBSA-N -1 3 306.365 4.276 20 0 DIADHM Cc1ccc(NC(=O)c2cc(Cl)c(F)cc2Cl)c([O-])c1 ZINC000549011625 341283588 /nfs/dbraw/zinc/28/35/88/341283588.db2.gz CCEFGXGESXKYOX-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM Cc1ccsc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458598 341291579 /nfs/dbraw/zinc/29/15/79/341291579.db2.gz DYTQQYADLHSERG-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000549343434 341291763 /nfs/dbraw/zinc/29/17/63/341291763.db2.gz ADZVVPWLHKVVSQ-ZWKOTPCHSA-N -1 3 321.420 4.038 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)c2ccccc21 ZINC000549625369 341299338 /nfs/dbraw/zinc/29/93/38/341299338.db2.gz LGLFVNRZQQRCKJ-SNVBAGLBSA-N -1 3 321.298 4.175 20 0 DIADHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000551487763 341342707 /nfs/dbraw/zinc/34/27/07/341342707.db2.gz OTQZMPSWXGIULV-DOMZBBRYSA-N -1 3 315.800 4.064 20 0 DIADHM Cc1ccc(Cc2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000551606368 341347100 /nfs/dbraw/zinc/34/71/00/341347100.db2.gz YSCZNUNMQAQNJP-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)c(F)cc1Cl ZINC000551774740 341350954 /nfs/dbraw/zinc/35/09/54/341350954.db2.gz GHMMMTLCIZRQFI-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C3CCC3)cc2)c1[O-] ZINC000552069948 341367311 /nfs/dbraw/zinc/36/73/11/341367311.db2.gz SWSJTOGHZGWRRE-UHFFFAOYSA-N -1 3 309.365 4.115 20 0 DIADHM C[C@H](C1CC1)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000552110377 341370441 /nfs/dbraw/zinc/37/04/41/341370441.db2.gz KRRJHUBTEBQHKT-OAHLLOKOSA-N -1 3 323.436 4.048 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000552958777 341410638 /nfs/dbraw/zinc/41/06/38/341410638.db2.gz BJOXBZSSPXJOGE-UHOSZYNNSA-N -1 3 321.420 4.109 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1SCCc2ccccc21 ZINC000153477465 341541940 /nfs/dbraw/zinc/54/19/40/341541940.db2.gz 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/nfs/dbraw/zinc/61/11/04/341611104.db2.gz PEMNKYAHKRBMBX-ZDUSSCGKSA-N -1 3 313.372 4.004 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000575737202 341801686 /nfs/dbraw/zinc/80/16/86/341801686.db2.gz RTWQCWFHEHRVPO-KRWDZBQOSA-N -1 3 315.800 4.195 20 0 DIADHM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cccc([O-])c1F ZINC000576511594 341849964 /nfs/dbraw/zinc/84/99/64/341849964.db2.gz KGNBDZZWCGMXRQ-ZDUSSCGKSA-N -1 3 301.361 4.047 20 0 DIADHM O=C([N-]c1cccc(F)c1Cl)c1cc(-c2ccccc2)no1 ZINC000577143236 341890152 /nfs/dbraw/zinc/89/01/52/341890152.db2.gz XMXNUSVFDPPQNE-UHFFFAOYSA-N -1 3 316.719 4.386 20 0 DIADHM Cc1cccc2cc(C(=O)Nc3cc(F)ccc3[O-])sc21 ZINC000577681160 341928787 /nfs/dbraw/zinc/92/87/87/341928787.db2.gz IXIFADBRVKLPNK-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000426736178 518186695 /nfs/dbraw/zinc/18/66/95/518186695.db2.gz WYHKWRIYXHLRBT-KRWDZBQOSA-N -1 3 317.816 4.181 20 0 DIADHM CCC(CC)N(CC(C)C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267341969 521545524 /nfs/dbraw/zinc/54/55/24/521545524.db2.gz SVFVKGUNIKUABP-UHFFFAOYSA-N -1 3 314.429 4.227 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1C(C)C ZINC000339006906 524169179 /nfs/dbraw/zinc/16/91/79/524169179.db2.gz IITBALAAKMHIBD-UHFFFAOYSA-N -1 3 306.793 4.297 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000338177874 524705627 /nfs/dbraw/zinc/70/56/27/524705627.db2.gz MRECOQATFBFTON-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000226456042 526048128 /nfs/dbraw/zinc/04/81/28/526048128.db2.gz ZUZUYMGHWUJXBP-RYUDHWBXSA-N -1 3 313.800 4.117 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1Cl ZINC000339379934 526361680 /nfs/dbraw/zinc/36/16/80/526361680.db2.gz PADRYXJNPWFBAJ-OAHLLOKOSA-N -1 3 305.780 4.352 20 0 DIADHM Cc1cc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)no1 ZINC000157505011 1035665313 /nfs/dbraw/zinc/66/53/13/1035665313.db2.gz CYFKAWVXUXPLTF-UHFFFAOYSA-N -1 3 310.806 4.389 20 0 DIADHM Cc1cc(C)c(-c2noc(-c3cc4ccccc4cc3[O-])n2)cn1 ZINC000397406368 1036361331 /nfs/dbraw/zinc/36/13/31/1036361331.db2.gz INUDNRKUBJEYRD-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)s1 ZINC000340379549 1036391383 /nfs/dbraw/zinc/39/13/83/1036391383.db2.gz WQAJKQHBPNLNFH-CQSZACIVSA-N -1 3 321.829 4.393 20 0 DIADHM Cc1cc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)ccc1O ZINC000683595586 1036534564 /nfs/dbraw/zinc/53/45/64/1036534564.db2.gz IBOJNAIPDMQLPL-UHFFFAOYSA-N -1 3 310.353 4.247 20 0 DIADHM CCOC(=O)Nc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223475 1036542828 /nfs/dbraw/zinc/54/28/28/1036542828.db2.gz WSUXPOXKLZNOJN-UHFFFAOYSA-N -1 3 306.749 4.358 20 0 DIADHM [O-]c1cccc(Nc2cc(C(F)(F)F)cnc2F)c1Cl ZINC001210855498 1037018020 /nfs/dbraw/zinc/01/80/20/1037018020.db2.gz RGUOHMPWOIIXDL-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM COc1cc(OC)c(Nc2cccc([O-])c2Cl)cc1Cl ZINC001210855435 1037018382 /nfs/dbraw/zinc/01/83/82/1037018382.db2.gz NJQVNMCTUFOIOK-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM CC(=O)c1cc(Nc2cccc([O-])c2Cl)cc(C(C)=O)c1 ZINC001210859764 1037020472 /nfs/dbraw/zinc/02/04/72/1037020472.db2.gz NHIYGGJHJYICNJ-UHFFFAOYSA-N -1 3 303.745 4.194 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCc2nccs2)s1 ZINC000162279012 1037093835 /nfs/dbraw/zinc/09/38/35/1037093835.db2.gz YIVHFNMKGBXLAW-UHFFFAOYSA-N -1 3 324.431 4.170 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3cnccc3c2)CC)n1 ZINC000684032927 1037261242 /nfs/dbraw/zinc/26/12/42/1037261242.db2.gz GNJVKQHKIYAWKE-GDNBJRDFSA-N -1 3 319.408 4.221 20 0 DIADHM Cc1conc1[N-]C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000123589953 1037486094 /nfs/dbraw/zinc/48/60/94/1037486094.db2.gz QADXMUSYJRDLNW-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CSc1cc(Cl)ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000656656247 1037747628 /nfs/dbraw/zinc/74/76/28/1037747628.db2.gz VVOHDLVDLKSKBQ-UHFFFAOYSA-N -1 3 321.833 4.047 20 0 DIADHM CC[C@H](C)N(CC)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000656757992 1037842390 /nfs/dbraw/zinc/84/23/90/1037842390.db2.gz 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/nfs/dbraw/zinc/77/08/28/1038770828.db2.gz HQUFBTUCVBSZRR-UHFFFAOYSA-N -1 3 310.353 4.484 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(-c3ccc(F)cc3)no2)cc1F ZINC001213373269 1038914674 /nfs/dbraw/zinc/91/46/74/1038914674.db2.gz AWEIBLJTMZRDGS-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2c(F)cccc2F)c1F ZINC000534193598 1039006713 /nfs/dbraw/zinc/00/67/13/1039006713.db2.gz XYWXUPNWUZJBLW-UHFFFAOYSA-N -1 3 317.669 4.457 20 0 DIADHM Cc1cc(Br)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379355 1039201218 /nfs/dbraw/zinc/20/12/18/1039201218.db2.gz RANRKNNINDJWAZ-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CCc1ccc(-c2nc([C@H](C)c3cccc(OC)c3)no2)c([O-])c1 ZINC000685274684 1039633277 /nfs/dbraw/zinc/63/32/77/1039633277.db2.gz XNVPKUVROYOWBP-GFCCVEGCSA-N -1 3 324.380 4.165 20 0 DIADHM COc1cc(-c2nc3cccc(Cl)c3n2C)cc(Cl)c1[O-] ZINC000613293171 1040860680 /nfs/dbraw/zinc/86/06/80/1040860680.db2.gz YAUAEZYYGKDQDK-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000175701308 1041094341 /nfs/dbraw/zinc/09/43/41/1041094341.db2.gz GNECEHMNNOUTBP-STQMWFEESA-N -1 3 317.816 4.310 20 0 DIADHM C[C@]12CC3CC(C(=O)[N-]OCc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000255951397 1041247979 /nfs/dbraw/zinc/24/79/79/1041247979.db2.gz LGGYXQYPEBRTJB-JUNHRQJPSA-N -1 3 313.441 4.231 20 0 DIADHM CCOC(=O)c1c(F)cc(-c2ccc(Cl)cc2[O-])cc1F ZINC001244471045 1041261140 /nfs/dbraw/zinc/26/11/40/1041261140.db2.gz BCDLDBRLFOPJPG-UHFFFAOYSA-N -1 3 312.699 4.168 20 0 DIADHM O=C(OCCCc1ccncc1)c1cc2cc(Cl)sc2[n-]1 ZINC000810539477 1041404002 /nfs/dbraw/zinc/40/40/02/1041404002.db2.gz NJEVAYQKEIZNGP-UHFFFAOYSA-N -1 3 320.801 4.067 20 0 DIADHM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]OC/C=C\Cl)c2ccccc21 ZINC000812404575 1041618106 /nfs/dbraw/zinc/61/81/06/1041618106.db2.gz GSXQMGCXWXFSHL-DLOCJZORSA-N -1 3 307.821 4.104 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417544823 1041682489 /nfs/dbraw/zinc/68/24/89/1041682489.db2.gz 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/nfs/dbraw/zinc/84/48/82/1041844882.db2.gz OFPGFLFCBVBSCH-MDKXCRPYSA-N -1 3 324.243 4.266 20 0 DIADHM C[C@H](Cc1ccsc1)/N=C/c1cc(Br)ccc1[O-] ZINC000124769394 1041844946 /nfs/dbraw/zinc/84/49/46/1041844946.db2.gz OFPGFLFCBVBSCH-LYQMGENXSA-N -1 3 324.243 4.266 20 0 DIADHM CC(C)[C@H]([N-]C(=O)C(C)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815258726 1041937332 /nfs/dbraw/zinc/93/73/32/1041937332.db2.gz HGMOADDAJXDRBD-NSHDSACASA-N -1 3 309.278 4.174 20 0 DIADHM C[C@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000652393025 1042035300 /nfs/dbraw/zinc/03/53/00/1042035300.db2.gz SUSWPKLKFVRSLN-SNVBAGLBSA-N -1 3 309.818 4.293 20 0 DIADHM O=C(OC[C@@H]1CCCC1(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000816388623 1042044013 /nfs/dbraw/zinc/04/40/13/1042044013.db2.gz KSNBKQCMJVVZAQ-QMMMGPOBSA-N -1 3 319.760 4.475 20 0 DIADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1oc2c(cccc2C)c1C ZINC000652510584 1042062751 /nfs/dbraw/zinc/06/27/51/1042062751.db2.gz FJLNZBFOCFMDOP-HNNXBMFYSA-N -1 3 303.402 4.125 20 0 DIADHM CC(=O)c1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000816840629 1042083014 /nfs/dbraw/zinc/08/30/14/1042083014.db2.gz WARDWLZDXUIRKH-UHFFFAOYSA-N -1 3 311.362 4.062 20 0 DIADHM CC(C)(C)C1CCC(CC(=O)[N-]OCc2ccccc2)CC1 ZINC001136106931 1042140016 /nfs/dbraw/zinc/14/00/16/1042140016.db2.gz ZMBCTUZIKOHKTL-UHFFFAOYSA-N -1 3 303.446 4.477 20 0 DIADHM CC(C)c1ccc([C@H]([N-]c2nnc(C(F)F)o2)C(C)C)cc1 ZINC000432315157 1042152471 /nfs/dbraw/zinc/15/24/71/1042152471.db2.gz UETSGAHGEPZTFE-CYBMUJFWSA-N -1 3 309.360 4.940 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC001136208262 1042176322 /nfs/dbraw/zinc/17/63/22/1042176322.db2.gz TUQXWXJGYBFPIJ-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM Cc1ccc(NCc2cccc([O-])c2Br)c(C)c1 ZINC000314986050 1042181897 /nfs/dbraw/zinc/18/18/97/1042181897.db2.gz HLLRAQVBSCRJAQ-UHFFFAOYSA-N -1 3 306.203 4.384 20 0 DIADHM Cc1cnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC001136305714 1042206648 /nfs/dbraw/zinc/20/66/48/1042206648.db2.gz BFXVEWUMJZUNEX-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM COc1ccccc1/C(C)=C\C(=O)Nc1c([O-])cccc1Cl ZINC000820509457 1042218784 /nfs/dbraw/zinc/21/87/84/1042218784.db2.gz GFFRAAWSLDLGQY-KHPPLWFESA-N -1 3 317.772 4.096 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cccc2c1CCN2 ZINC001159850881 1042230451 /nfs/dbraw/zinc/23/04/51/1042230451.db2.gz OBBHJYJCYYRONU-UHFFFAOYSA-N -1 3 323.165 4.005 20 0 DIADHM CCCCC1CCC(CNC(=O)c2c([O-])cccc2OC)CC1 ZINC001136396501 1042235673 /nfs/dbraw/zinc/23/56/73/1042235673.db2.gz WVXDHHOUFDHXMT-UHFFFAOYSA-N -1 3 319.445 4.127 20 0 DIADHM O=C(NC[C@H]1CC=CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001136443589 1042250692 /nfs/dbraw/zinc/25/06/92/1042250692.db2.gz HSRMRELNKHMXNH-HNNXBMFYSA-N -1 3 323.392 4.271 20 0 DIADHM CC(C)c1ccc(C(=O)NCCc2ccccc2Cl)c([O-])c1 ZINC001136472343 1042258877 /nfs/dbraw/zinc/25/88/77/1042258877.db2.gz ZAWOLRGTUIYLMB-UHFFFAOYSA-N -1 3 317.816 4.142 20 0 DIADHM CC[C@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000279045013 1042263550 /nfs/dbraw/zinc/26/35/50/1042263550.db2.gz GJSTYWYALVKTRC-UWVGGRQHSA-N -1 3 311.838 4.007 20 0 DIADHM O=C(NCc1cccc2ccccc21)c1cc([O-])ccc1Cl ZINC000319857856 1042290297 /nfs/dbraw/zinc/29/02/97/1042290297.db2.gz NUDPGTDWPCIRPB-UHFFFAOYSA-N -1 3 311.768 4.129 20 0 DIADHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC001136596106 1042291370 /nfs/dbraw/zinc/29/13/70/1042291370.db2.gz UVZCTXDFCSFQRT-MLGOLLRUSA-N -1 3 309.837 4.380 20 0 DIADHM O=c1cc(Nc2cc(F)c(Cl)cc2F)n(C2CCCC2)[n-]1 ZINC001213934793 1042350209 /nfs/dbraw/zinc/35/02/09/1042350209.db2.gz DHXQAFISJIZTPT-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM CC(C)COC[C@H](N[C@@H](C)c1cc([O-])cc(F)c1)c1ccco1 ZINC000924889002 1042487530 /nfs/dbraw/zinc/48/75/30/1042487530.db2.gz JGPBAMWVOCVSTQ-GUYCJALGSA-N -1 3 321.392 4.189 20 0 DIADHM CC(C)Oc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000614442776 1042523697 /nfs/dbraw/zinc/52/36/97/1042523697.db2.gz HMEYPQAVPVCLBQ-UHFFFAOYSA-N -1 3 314.772 4.031 20 0 DIADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1OC(C)C ZINC000513291712 1042532123 /nfs/dbraw/zinc/53/21/23/1042532123.db2.gz KZWCXIMMDZVEJJ-UHFFFAOYSA-N -1 3 307.340 4.378 20 0 DIADHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000515051188 1042806731 /nfs/dbraw/zinc/80/67/31/1042806731.db2.gz VSEQHEKQHFOZCF-MFDVASPDSA-N -1 3 318.323 4.209 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2C)c([O-])c1 ZINC000515333018 1042816387 /nfs/dbraw/zinc/81/63/87/1042816387.db2.gz BXIXAXLBMAQJMH-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1c([O-])cccc1Cl ZINC000515391646 1042816900 /nfs/dbraw/zinc/81/69/00/1042816900.db2.gz WHGBJCOJKWVMMV-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc(Cl)c(Cl)c1 ZINC000521273045 1043381671 /nfs/dbraw/zinc/38/16/71/1043381671.db2.gz KDZFGXTXWVJOQY-SCVCMEIPSA-N -1 3 316.228 4.067 20 0 DIADHM CCSc1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000521334817 1043388713 /nfs/dbraw/zinc/38/87/13/1043388713.db2.gz OBQVXOYEUWPACD-UHFFFAOYSA-N -1 3 300.358 4.254 20 0 DIADHM COc1ccc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)cc1F ZINC000872018910 1043421780 /nfs/dbraw/zinc/42/17/80/1043421780.db2.gz QXKLSJFQZOVLDZ-QWRGUYRKSA-N -1 3 307.340 4.091 20 0 DIADHM C[C@@H](N[C@@H]1CSCc2ccccc21)c1cccc([O-])c1F ZINC000872027307 1043424771 /nfs/dbraw/zinc/42/47/71/1043424771.db2.gz CUAWNISXOMFFLX-IAQYHMDHSA-N -1 3 303.402 4.170 20 0 DIADHM CCOc1cccc([C@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872030049 1043426291 /nfs/dbraw/zinc/42/62/91/1043426291.db2.gz YCMCJEYOVCFWDC-QWHCGFSZSA-N -1 3 303.377 4.342 20 0 DIADHM C[C@@H](N[C@H]1CCCOc2ccccc21)c1cccc([O-])c1F ZINC000872030564 1043426850 /nfs/dbraw/zinc/42/68/50/1043426850.db2.gz HSNYLEPABSZWBE-DOMZBBRYSA-N -1 3 301.361 4.096 20 0 DIADHM CCOc1cccc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)c1 ZINC000872030047 1043426893 /nfs/dbraw/zinc/42/68/93/1043426893.db2.gz YCMCJEYOVCFWDC-CHWSQXEVSA-N -1 3 303.377 4.342 20 0 DIADHM C[C@H](NCc1ccccc1OC1CCC1)c1cccc([O-])c1F ZINC000872044856 1043433007 /nfs/dbraw/zinc/43/30/07/1043433007.db2.gz GILDZEMOUHPXKN-ZDUSSCGKSA-N -1 3 315.388 4.313 20 0 DIADHM Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc([O-])c1F)CCC2 ZINC000872060087 1043443607 /nfs/dbraw/zinc/44/36/07/1043443607.db2.gz LUGOLWDDJMZQLZ-CABZTGNLSA-N -1 3 306.406 4.024 20 0 DIADHM COC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000872072355 1043450567 /nfs/dbraw/zinc/45/05/67/1043450567.db2.gz CTOMWFIRBQZLJJ-IAQYHMDHSA-N -1 3 323.795 4.223 20 0 DIADHM C[C@@H](NCc1cnccc1C(C)(C)C)c1cccc([O-])c1F ZINC000872079060 1043451971 /nfs/dbraw/zinc/45/19/71/1043451971.db2.gz LCRHFYVEEFDVBN-GFCCVEGCSA-N -1 3 302.393 4.075 20 0 DIADHM Cc1cccc(C2=CCN(Cc3cc(C(=O)[O-])cs3)CC2)c1 ZINC000872159091 1043479399 /nfs/dbraw/zinc/47/93/99/1043479399.db2.gz MOEHEMVMXUIEPH-UHFFFAOYSA-N -1 3 313.422 4.044 20 0 DIADHM Cc1cccc(C2=CCN(Cc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000872158387 1043480345 /nfs/dbraw/zinc/48/03/45/1043480345.db2.gz CUKMIHQPDPKQGH-UHFFFAOYSA-N -1 3 321.420 4.291 20 0 DIADHM CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1cc([O-])cc(F)c1)CCC2 ZINC000926181469 1043540126 /nfs/dbraw/zinc/54/01/26/1043540126.db2.gz CJEKXCSORDVVHJ-PXAZEXFGSA-N -1 3 317.408 4.037 20 0 DIADHM CC1(C)CCC[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001299415434 1043565240 /nfs/dbraw/zinc/56/52/40/1043565240.db2.gz FWPZFGSTVYIWTF-HNNXBMFYSA-N -1 3 321.436 4.187 20 0 DIADHM CCSCC[C@H](C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000354822232 1043722041 /nfs/dbraw/zinc/72/20/41/1043722041.db2.gz OJOQDXSARNKDNG-ZDUSSCGKSA-N -1 3 317.454 4.149 20 0 DIADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)s1 ZINC000357400547 1043949034 /nfs/dbraw/zinc/94/90/34/1043949034.db2.gz NGNKPAYJRXMHGW-NTCAYCPXSA-N -1 3 308.406 4.335 20 0 DIADHM Cc1ccc(-c2cc(C(=O)[N-]c3cccc4ocnc43)on2)cc1 ZINC000357426123 1043951938 /nfs/dbraw/zinc/95/19/38/1043951938.db2.gz MEZAFDHKQUVDSK-UHFFFAOYSA-N -1 3 319.320 4.044 20 0 DIADHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OC1CCCCC1 ZINC000777960910 1043996756 /nfs/dbraw/zinc/99/67/56/1043996756.db2.gz BOOKOTAPAYWGDA-UHFFFAOYSA-N -1 3 307.356 4.126 20 0 DIADHM COc1c(Nc2nc3c(cccc3[O-])s2)ccc(F)c1F ZINC001211887612 1044007167 /nfs/dbraw/zinc/00/71/67/1044007167.db2.gz OCMMSGMRSORONE-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM CC(C)c1ccc(-c2nc([C@H]3CC3(Cl)Cl)no2)c([O-])c1 ZINC000896806825 1044019972 /nfs/dbraw/zinc/01/99/72/1044019972.db2.gz PCBMQYNWYVAHKB-SNVBAGLBSA-N -1 3 313.184 4.227 20 0 DIADHM CSc1ccc(CS[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000358547882 1044082230 /nfs/dbraw/zinc/08/22/30/1044082230.db2.gz UNOCEJKJZMZEEM-NSHDSACASA-N -1 3 306.456 4.207 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1sc(CC(C)C)nc1C ZINC000652875949 1044115647 /nfs/dbraw/zinc/11/56/47/1044115647.db2.gz CRYKBBIJYGTRNJ-UHFFFAOYSA-N -1 3 321.471 4.019 20 0 DIADHM CC(C)[C@H]([N-]c1nnc(C(F)F)o1)c1ccc(Cl)cc1 ZINC000292450296 1044174756 /nfs/dbraw/zinc/17/47/56/1044174756.db2.gz IQHKFDMZNFRNEI-JTQLQIEISA-N -1 3 301.724 4.470 20 0 DIADHM O=C(CCc1cc(Cl)cs1)Nc1cc(Cl)ccc1[O-] ZINC000522983850 1044256791 /nfs/dbraw/zinc/25/67/91/1044256791.db2.gz MSCKCKIWRKQOFK-UHFFFAOYSA-N -1 3 316.209 4.332 20 0 DIADHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001137191139 1044315351 /nfs/dbraw/zinc/31/53/51/1044315351.db2.gz DBOOUBYGBRYKMW-GUYCJALGSA-N -1 3 311.425 4.490 20 0 DIADHM CCc1noc(C)c1[N-]C(=O)c1cc2cccc(Cl)c2o1 ZINC000133114587 1044356457 /nfs/dbraw/zinc/35/64/57/1044356457.db2.gz JVMPRQQSPUBVAM-UHFFFAOYSA-N -1 3 304.733 4.197 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccccc2C2CCC2)c1[O-] ZINC000935983805 1044377234 /nfs/dbraw/zinc/37/72/34/1044377234.db2.gz BXFWVNWJWRFTFL-UHFFFAOYSA-N -1 3 309.365 4.115 20 0 DIADHM CC(C)Oc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000294348033 1044410789 /nfs/dbraw/zinc/41/07/89/1044410789.db2.gz ZGTNZQRMTYKQEH-UHFFFAOYSA-N -1 3 305.805 4.123 20 0 DIADHM CN(CC1CCCCC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000565366548 1044430322 /nfs/dbraw/zinc/43/03/22/1044430322.db2.gz URTCLFSJTQFJBM-HNNXBMFYSA-N -1 3 313.800 4.117 20 0 DIADHM CC(C)N(Cc1ccoc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000565544855 1044441561 /nfs/dbraw/zinc/44/15/61/1044441561.db2.gz 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[O-]c1cc(Cl)c(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(Cl)c1 ZINC001142105625 1045082453 /nfs/dbraw/zinc/08/24/53/1045082453.db2.gz HYQKRMZDOFOABQ-KCJUWKMLSA-N -1 3 322.182 4.176 20 0 DIADHM CC(C)(CNC(=O)c1cc2sccc2c([O-])c1)C1CCC1 ZINC001298022157 1045105603 /nfs/dbraw/zinc/10/56/03/1045105603.db2.gz AOSJWWDCRUFZRH-UHFFFAOYSA-N -1 3 303.427 4.163 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC001142115031 1045115115 /nfs/dbraw/zinc/11/51/15/1045115115.db2.gz UQCATEHHFOMXLE-GFCCVEGCSA-N -1 3 323.223 4.084 20 0 DIADHM CCc1cccc(C(=O)N(CC)Cc2c[nH]c3ccccc23)c1[O-] ZINC000525958955 1045140866 /nfs/dbraw/zinc/14/08/66/1045140866.db2.gz CAKCKGVWQVMFCA-UHFFFAOYSA-N -1 3 322.408 4.098 20 0 DIADHM C[C@@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1F ZINC000557183247 1045152911 /nfs/dbraw/zinc/15/29/11/1045152911.db2.gz BQFNBHBDDMKQAG-JTQLQIEISA-N -1 3 307.752 4.317 20 0 DIADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)c1ccccc1F ZINC000557183251 1045153808 /nfs/dbraw/zinc/15/38/08/1045153808.db2.gz 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ZINC000642324059 1046597768 /nfs/dbraw/zinc/59/77/68/1046597768.db2.gz SXMPWKPYZJBCMP-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc(CN(C(=O)c2ccc(C(C)C)cc2[O-])C2CC2)o1 ZINC000678304450 1046617763 /nfs/dbraw/zinc/61/77/63/1046617763.db2.gz LDZDCEQBLTUIHE-UHFFFAOYSA-N -1 3 313.397 4.222 20 0 DIADHM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000678319069 1046619795 /nfs/dbraw/zinc/61/97/95/1046619795.db2.gz UNQZHVGDXKJBSC-GOSISDBHSA-N -1 3 324.424 4.196 20 0 DIADHM CCC[C@@H](C)CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000629367340 1046641953 /nfs/dbraw/zinc/64/19/53/1046641953.db2.gz RDPHDXIYJXLBAL-CYBMUJFWSA-N -1 3 307.409 4.098 20 0 DIADHM CSCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159624 1046660540 /nfs/dbraw/zinc/66/05/40/1046660540.db2.gz MGGAKILPKKFBJT-UHFFFAOYSA-N -1 3 307.802 4.161 20 0 DIADHM Cc1noc(C2CC2)c1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000784107420 1046661047 /nfs/dbraw/zinc/66/10/47/1046661047.db2.gz SXXFYWMSINPWGS-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM CCc1ccc(C(=O)N2Cc3ccccc3C3(CCC3)C2)c([O-])c1 ZINC001140434377 1046723609 /nfs/dbraw/zinc/72/36/09/1046723609.db2.gz KHVDNMHFJOHMRS-UHFFFAOYSA-N -1 3 321.420 4.032 20 0 DIADHM [O-]c1cccc(CN[C@H]2CSCc3ccccc32)c1Cl ZINC000645150743 1046770561 /nfs/dbraw/zinc/77/05/61/1046770561.db2.gz DRIZUSOUHGSXCW-AWEZNQCLSA-N -1 3 305.830 4.123 20 0 DIADHM Cc1ccc(CN(C)Cc2cccc([O-])c2Br)cc1 ZINC001140548645 1046775895 /nfs/dbraw/zinc/77/58/95/1046775895.db2.gz ROAMIPYFDTZRCB-UHFFFAOYSA-N -1 3 320.230 4.095 20 0 DIADHM COc1cccc(-c2cc(Nc3ccc([O-])c(F)c3F)on2)c1 ZINC001211999965 1046795504 /nfs/dbraw/zinc/79/55/04/1046795504.db2.gz FHYCMQHCNVRAMT-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM [O-]c1ccc(Nc2ccc(F)c(OC(F)(F)F)c2)c(F)c1F ZINC001212011212 1046818007 /nfs/dbraw/zinc/81/80/07/1046818007.db2.gz YAROOJLCWFZZEK-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(Nc2c3nsnc3ccc2Cl)c(F)c1F ZINC001212009858 1046818049 /nfs/dbraw/zinc/81/80/49/1046818049.db2.gz VUGYVTZMVWGFNO-UHFFFAOYSA-N -1 3 313.716 4.072 20 0 DIADHM [O-]c1ccc(Nc2cccc(Br)c2F)c(F)c1F ZINC001212009470 1046820117 /nfs/dbraw/zinc/82/01/17/1046820117.db2.gz PTLWEGZYMLPMMY-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cccc([O-])c1Cl ZINC000646156443 1046869320 /nfs/dbraw/zinc/86/93/20/1046869320.db2.gz UQLYVOSSLURSIU-ONGXEEELSA-N -1 3 307.743 4.208 20 0 DIADHM CC(C)[C@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CC12CCC2 ZINC000646547709 1046909507 /nfs/dbraw/zinc/90/95/07/1046909507.db2.gz MHCINOAQSIBJRS-GOSISDBHSA-N -1 3 309.409 4.196 20 0 DIADHM O=c1cc(Nc2cc(Cl)nc(Cl)c2)[n-]n1-c1ccccc1 ZINC001212092142 1046931632 /nfs/dbraw/zinc/93/16/32/1046931632.db2.gz KGSQWHUPMZZJQR-UHFFFAOYSA-N -1 3 321.167 4.023 20 0 DIADHM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1ccccc1[O-] ZINC001140986330 1046968930 /nfs/dbraw/zinc/96/89/30/1046968930.db2.gz BSACYACZMVPJMA-MRXNPFEDSA-N -1 3 319.763 4.066 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988857 1046970457 /nfs/dbraw/zinc/97/04/57/1046970457.db2.gz OTGXDQJUAJXTOW-KRWDZBQOSA-N -1 3 303.352 4.316 20 0 DIADHM CC(C)[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC000647803447 1047015328 /nfs/dbraw/zinc/01/53/28/1047015328.db2.gz MVEQPWKCMJWRLS-MRXNPFEDSA-N -1 3 323.396 4.037 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c1[O-] ZINC000536712847 1047078174 /nfs/dbraw/zinc/07/81/74/1047078174.db2.gz RZIXRSKCLVKPNQ-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CC[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C1CCC(C)CC1 ZINC001141302171 1047082553 /nfs/dbraw/zinc/08/25/53/1047082553.db2.gz RXDXQJXSKGBBFE-ORHYLEIMSA-N -1 3 315.417 4.060 20 0 DIADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(CC)ccc1[O-] ZINC001141376143 1047108148 /nfs/dbraw/zinc/10/81/48/1047108148.db2.gz BVUWMUIZRJVPFL-UHFFFAOYSA-N -1 3 311.425 4.315 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1C1CCC1 ZINC000649196178 1047115626 /nfs/dbraw/zinc/11/56/26/1047115626.db2.gz GYAAQMJSPVVSBF-QGZVFWFLSA-N -1 3 319.420 4.035 20 0 DIADHM CCN(CC)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001212971610 1047124616 /nfs/dbraw/zinc/12/46/16/1047124616.db2.gz AXHOFVZYOXUEMQ-UHFFFAOYSA-N -1 3 322.412 4.168 20 0 DIADHM Cc1cc2nc([N-]C(=O)c3c(F)ccc(F)c3F)oc2c(C)c1 ZINC000681550667 1047129966 /nfs/dbraw/zinc/12/99/66/1047129966.db2.gz PHXPQYYMOOUDOG-UHFFFAOYSA-N -1 3 320.270 4.114 20 0 DIADHM Cc1ccc2cccc(C(=O)Nc3c([O-])cccc3Cl)c2n1 ZINC001141467408 1047141692 /nfs/dbraw/zinc/14/16/92/1047141692.db2.gz UVEAMHIHZCHZMX-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001141467542 1047141936 /nfs/dbraw/zinc/14/19/36/1047141936.db2.gz YDKQAPNOTCVFEN-UHFFFAOYSA-N -1 3 303.789 4.496 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC001141516291 1047154740 /nfs/dbraw/zinc/15/47/40/1047154740.db2.gz GIHZXIKSLFPHPS-GFCCVEGCSA-N -1 3 317.351 4.122 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(C)cc2C)c1[O-] ZINC001141528209 1047163560 /nfs/dbraw/zinc/16/35/60/1047163560.db2.gz QCEQRUUKIQYXAQ-OAHLLOKOSA-N -1 3 311.425 4.405 20 0 DIADHM CC(C)(C)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001141542618 1047175576 /nfs/dbraw/zinc/17/55/76/1047175576.db2.gz QKBTVJUMHHOYHF-UHFFFAOYSA-N -1 3 313.397 4.351 20 0 DIADHM CC(C)CCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC001141623151 1047232386 /nfs/dbraw/zinc/23/23/86/1047232386.db2.gz XENXHXFHRIHJHO-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000682925501 1047239332 /nfs/dbraw/zinc/23/93/32/1047239332.db2.gz BLJRMSKIRVTELP-UHFFFAOYSA-N -1 3 313.784 4.106 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001141662162 1047249533 /nfs/dbraw/zinc/24/95/33/1047249533.db2.gz WTJLAHFNPPKXIV-HIFRSBDPSA-N -1 3 303.446 4.241 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)c([O-])c1 ZINC001141927004 1047310386 /nfs/dbraw/zinc/31/03/86/1047310386.db2.gz GJCARMSXEFOOAI-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC(C)n1ncc2c1[C@H](N[C@@H](C)c1cccc([O-])c1F)CCC2 ZINC001119002344 1047320570 /nfs/dbraw/zinc/32/05/70/1047320570.db2.gz MIHRQELCIKTHFG-SWLSCSKDSA-N -1 3 317.408 4.037 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001141995544 1047337098 /nfs/dbraw/zinc/33/70/98/1047337098.db2.gz STYJCJQCXUPXRX-IEBWSBKVSA-N -1 3 323.436 4.363 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001141995545 1047337150 /nfs/dbraw/zinc/33/71/50/1047337150.db2.gz STYJCJQCXUPXRX-MJGOQNOKSA-N -1 3 323.436 4.363 20 0 DIADHM O=C([O-])c1ccc(CN2CCC(c3ccc(Cl)cc3)CC2)o1 ZINC000652411725 1047357407 /nfs/dbraw/zinc/35/74/07/1047357407.db2.gz KTHUPGGSMFKIJB-UHFFFAOYSA-N -1 3 319.788 4.011 20 0 DIADHM CCSCCSCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000760514474 1047381438 /nfs/dbraw/zinc/38/14/38/1047381438.db2.gz CUSFGCHPFRTBFI-UHFFFAOYSA-N -1 3 324.467 4.047 20 0 DIADHM Cc1ccc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c([O-])c1 ZINC000749816214 1047438111 /nfs/dbraw/zinc/43/81/11/1047438111.db2.gz NJZMVBOHNGOMRT-UHFFFAOYSA-N -1 3 309.409 4.201 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)c1[O-] ZINC001142426554 1047445951 /nfs/dbraw/zinc/44/59/51/1047445951.db2.gz LOWYRDNBQJAUHX-UHFFFAOYSA-N -1 3 323.392 4.116 20 0 DIADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)[C@H]1CC1(C)C ZINC001142506371 1047463607 /nfs/dbraw/zinc/46/36/07/1047463607.db2.gz PTCCCHQJIMIONB-CHWSQXEVSA-N -1 3 303.427 4.161 20 0 DIADHM CCCCC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142649975 1047475477 /nfs/dbraw/zinc/47/54/77/1047475477.db2.gz QLWDTXLRECHKHF-UHFFFAOYSA-N -1 3 309.837 4.440 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c([O-])c1 ZINC001142963034 1047519808 /nfs/dbraw/zinc/51/98/08/1047519808.db2.gz DUTQWZXHALSREQ-WBVHZDCISA-N -1 3 315.457 4.243 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[O-] ZINC001142962709 1047520428 /nfs/dbraw/zinc/52/04/28/1047520428.db2.gz BNBRNDYBEJHNRD-RDJZCZTQSA-N -1 3 315.457 4.243 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c([O-])c1 ZINC001151438110 1047595654 /nfs/dbraw/zinc/59/56/54/1047595654.db2.gz VZYLQPGZYGTYCX-MRXNPFEDSA-N -1 3 315.800 4.025 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@]2(C)c2ccccc2)c([O-])c1 ZINC001153421210 1047623518 /nfs/dbraw/zinc/62/35/18/1047623518.db2.gz SRVGORIDYHCBJI-FQEVSTJZSA-N -1 3 309.409 4.106 20 0 DIADHM COc1cccc(/C(C)=C\C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001153461368 1047624867 /nfs/dbraw/zinc/62/48/67/1047624867.db2.gz NMNMGERKQGTKLM-FLIBITNWSA-N -1 3 317.772 4.096 20 0 DIADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC001153462243 1047624873 /nfs/dbraw/zinc/62/48/73/1047624873.db2.gz SMBWMTJLCGMDGW-GWCFXTLKSA-N -1 3 319.788 4.333 20 0 DIADHM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153461728 1047624990 /nfs/dbraw/zinc/62/49/90/1047624990.db2.gz NXQRPZHIHQUAEX-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM O=C(CCCC(F)(F)F)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000537746543 1047635632 /nfs/dbraw/zinc/63/56/32/1047635632.db2.gz HLCDAPDFKKPNHL-UHFFFAOYSA-N -1 3 315.213 4.082 20 0 DIADHM CC(C)(CCC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC001153999657 1047636520 /nfs/dbraw/zinc/63/65/20/1047636520.db2.gz IJQCTAPYBADALT-UHFFFAOYSA-N -1 3 315.388 4.132 20 0 DIADHM O=C([N-]c1cscc1Cl)c1ncc(Cc2ccccc2)o1 ZINC001154003101 1047637336 /nfs/dbraw/zinc/63/73/36/1047637336.db2.gz UVLHYIJXKDUZAX-UHFFFAOYSA-N -1 3 318.785 4.233 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001154444430 1047648959 /nfs/dbraw/zinc/64/89/59/1047648959.db2.gz FKOZIBGKDYNHIA-GJZGRUSLSA-N -1 3 303.446 4.425 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c1[O-] ZINC001154727219 1047655899 /nfs/dbraw/zinc/65/58/99/1047655899.db2.gz LEHNPBQSHWPXJF-KDOFPFPSSA-N -1 3 309.409 4.178 20 0 DIADHM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)[N-]OC1CCCCC1 ZINC001155047001 1047666224 /nfs/dbraw/zinc/66/62/24/1047666224.db2.gz DJLMURYCVFGSPZ-NEPJUHHUSA-N -1 3 307.356 4.126 20 0 DIADHM O=C(CCc1ccccc1C(F)(F)F)[N-]OC1CCCCC1 ZINC001155056824 1047666328 /nfs/dbraw/zinc/66/63/28/1047666328.db2.gz ZLHYDCATSLUDPN-UHFFFAOYSA-N -1 3 315.335 4.019 20 0 DIADHM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)[N-]OC1CCCCC1 ZINC001155047003 1047666353 /nfs/dbraw/zinc/66/63/53/1047666353.db2.gz DJLMURYCVFGSPZ-RYUDHWBXSA-N -1 3 307.356 4.126 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000538746904 1047706986 /nfs/dbraw/zinc/70/69/86/1047706986.db2.gz MJJRLFBLWIKYPZ-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1 ZINC000538746970 1047707208 /nfs/dbraw/zinc/70/72/08/1047707208.db2.gz RLPLPIRXDVHPOZ-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c1[O-] ZINC001156353249 1047707783 /nfs/dbraw/zinc/70/77/83/1047707783.db2.gz QXCYCSBJGCOPBE-BEFAXECRSA-N -1 3 323.436 4.363 20 0 DIADHM O=C(NC(C1CCC1)C1CCC1)c1cc2sccc2c([O-])c1 ZINC001157137735 1047735987 /nfs/dbraw/zinc/73/59/87/1047735987.db2.gz PSJJVKOUVSROBO-UHFFFAOYSA-N -1 3 315.438 4.306 20 0 DIADHM Cc1ccccc1OCCCC(=O)Nc1c([O-])cccc1Cl ZINC000552780545 1047794353 /nfs/dbraw/zinc/79/43/53/1047794353.db2.gz CQPZENYIYLZSJU-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM [O-]c1cccnc1CNc1c(Cl)ccc2ccc(Cl)nc21 ZINC001158775548 1047797526 /nfs/dbraw/zinc/79/75/26/1047797526.db2.gz FMUJXTFYKXCJFP-UHFFFAOYSA-N -1 3 320.179 4.254 20 0 DIADHM [O-]c1cccnc1CNc1cc(-c2ccccc2)cc(Cl)n1 ZINC001158774578 1047797899 /nfs/dbraw/zinc/79/78/99/1047797899.db2.gz OXVRKOBNHCMRRL-UHFFFAOYSA-N -1 3 311.772 4.115 20 0 DIADHM CCC(C)(C)c1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063173 1047810150 /nfs/dbraw/zinc/81/01/50/1047810150.db2.gz HDLYJGUQQIIMSQ-UHFFFAOYSA-N -1 3 323.396 4.208 20 0 DIADHM Fc1cccc2oc([N-]c3cc([C@H]4CCCCN4)no3)cc21 ZINC001159311651 1047830040 /nfs/dbraw/zinc/83/00/40/1047830040.db2.gz NHIWXCPFINVNOC-GFCCVEGCSA-N -1 3 301.321 4.118 20 0 DIADHM CC[C@H](C)[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001159551664 1047867255 /nfs/dbraw/zinc/86/72/55/1047867255.db2.gz OJZXVCKEGKNJKU-IUCAKERBSA-N -1 3 314.223 4.084 20 0 DIADHM CCCC1CCC(N(C)C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000479327658 1047868691 /nfs/dbraw/zinc/86/86/91/1047868691.db2.gz CTFGVUWBHGDQHF-UHFFFAOYSA-N 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BPSWNDLKVOUBAH-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM COc1ccc(C(F)(F)F)cc1Nc1cc([O-])c(F)cc1F ZINC001174775764 1047968341 /nfs/dbraw/zinc/96/83/41/1047968341.db2.gz KAQOMVIJELQDRC-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CC(C)c1ccc(NC(=S)Nc2ncc([O-])cc2Cl)cc1 ZINC001198596714 1047980852 /nfs/dbraw/zinc/98/08/52/1047980852.db2.gz NZQDFPHZOUWYLM-UHFFFAOYSA-N -1 3 321.833 4.373 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)c1 ZINC001174832061 1047986650 /nfs/dbraw/zinc/98/66/50/1047986650.db2.gz JPGAHAOPCYJQSE-CHWSQXEVSA-N -1 3 319.470 4.012 20 0 DIADHM NC(=O)c1ccc(Nc2cccc3c4ccccc4oc32)cc1[O-] ZINC001174856640 1048002080 /nfs/dbraw/zinc/00/20/80/1048002080.db2.gz XTZSTZJTQYPIAM-UHFFFAOYSA-N -1 3 318.332 4.134 20 0 DIADHM CC(C)(C)OCc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001174910603 1048024134 /nfs/dbraw/zinc/02/41/34/1048024134.db2.gz ALQQVLWGLOGECM-UHFFFAOYSA-N -1 3 313.401 4.118 20 0 DIADHM CC(C)(C)OCc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001174911867 1048024440 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BMFBIMWCHGHBEL-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM COc1cccc(-c2nc(-c3cccc(Cl)c3C)no2)c1[O-] ZINC001215142239 1051085756 /nfs/dbraw/zinc/08/57/56/1051085756.db2.gz SLOOFXLEHRLCJO-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001215142078 1051086059 /nfs/dbraw/zinc/08/60/59/1051086059.db2.gz KIFIOSAYNOVXMV-UHFFFAOYSA-N -1 3 315.332 4.171 20 0 DIADHM COc1cccc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1[O-] ZINC001215142270 1051086577 /nfs/dbraw/zinc/08/65/77/1051086577.db2.gz UNFUTFMPTXEFCN-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3C)no2)c1 ZINC001215153656 1051091103 /nfs/dbraw/zinc/09/11/03/1051091103.db2.gz DQENOBPSMLWBLL-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000792146213 1051120323 /nfs/dbraw/zinc/12/03/23/1051120323.db2.gz LMYKEUGPAYXZAK-SFHVURJKSA-N -1 3 320.392 4.212 20 0 DIADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792195387 1051126849 /nfs/dbraw/zinc/12/68/49/1051126849.db2.gz FTTJRKZYPAWQST-PZJWPPBQSA-N -1 3 317.388 4.005 20 0 DIADHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792195378 1051127013 /nfs/dbraw/zinc/12/70/13/1051127013.db2.gz FTTJRKZYPAWQST-CTNGQTDRSA-N -1 3 317.388 4.005 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC=C(c2ccccc2)C1 ZINC000792302478 1051132148 /nfs/dbraw/zinc/13/21/48/1051132148.db2.gz HKPVMGCNYOWJIK-UHFFFAOYSA-N -1 3 315.372 4.085 20 0 DIADHM COCOc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001215259231 1051139292 /nfs/dbraw/zinc/13/92/92/1051139292.db2.gz KADBIDRERQMCBS-UHFFFAOYSA-N -1 3 315.703 4.050 20 0 DIADHM COc1ccc(Cl)cc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC001215296876 1051156491 /nfs/dbraw/zinc/15/64/91/1051156491.db2.gz AYCSVBFUMAZWPV-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(F)c(Cl)cc3F)no2)c([O-])c1 ZINC001215296970 1051156636 /nfs/dbraw/zinc/15/66/36/1051156636.db2.gz IFFSMGAVGIWTQF-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1ccc(-c2nc(-c3cccc(Cl)c3C)no2)c([O-])c1 ZINC001215296949 1051156853 /nfs/dbraw/zinc/15/68/53/1051156853.db2.gz HKPQDIOMTVPVTB-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3OC(C)C)no2)c([O-])c1 ZINC001215297322 1051157987 /nfs/dbraw/zinc/15/79/87/1051157987.db2.gz WOQJARWYZQYXSQ-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)c([O-])c1 ZINC001215297301 1051158426 /nfs/dbraw/zinc/15/84/26/1051158426.db2.gz WCNIKDLVCKCTTL-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1cccc(O)c1-c1nc(-c2ccc3sccc3c2)no1 ZINC001215302250 1051159485 /nfs/dbraw/zinc/15/94/85/1051159485.db2.gz WJNLPZYVXCCNNY-UHFFFAOYSA-N -1 3 310.334 4.030 20 0 DIADHM COc1cc(C)cc(-c2noc(-c3cc([O-])ccc3Cl)n2)c1 ZINC001215345800 1051172844 /nfs/dbraw/zinc/17/28/44/1051172844.db2.gz LAABOTJMZVMFMY-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1c(F)cccc1-c1noc(-c2cc([O-])ccc2Cl)n1 ZINC001215345953 1051172935 /nfs/dbraw/zinc/17/29/35/1051172935.db2.gz VBTFQXOYKLBHTL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/34/35/76/1051343576.db2.gz YLGDFMQGPFHPRZ-UHFFFAOYSA-N -1 3 310.378 4.219 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(-c2ccccc2)on1 ZINC000041130712 1051349985 /nfs/dbraw/zinc/34/99/85/1051349985.db2.gz UJAKGPMTCYAHCA-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cccnc1C(F)(F)F ZINC001243608502 1051350509 /nfs/dbraw/zinc/35/05/09/1051350509.db2.gz JAFAKWRICWCQBY-UHFFFAOYSA-N -1 3 307.193 4.492 20 0 DIADHM CC(C)(C)C(=O)Nc1ccccc1Nc1ncc(Cl)cc1[O-] ZINC001215831426 1051396190 /nfs/dbraw/zinc/39/61/90/1051396190.db2.gz FPWAJFNLIRNIAU-UHFFFAOYSA-N -1 3 319.792 4.169 20 0 DIADHM CSc1cc(F)c(Nc2cc([O-])c(F)cc2F)c(F)c1 ZINC001215842007 1051406015 /nfs/dbraw/zinc/40/60/15/1051406015.db2.gz AYNXQMBJUYTVBT-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM CSc1cc(F)c(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001215843545 1051407355 /nfs/dbraw/zinc/40/73/55/1051407355.db2.gz GWNYIVMXSJILRW-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM CSc1cc(C)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001215871761 1051426630 /nfs/dbraw/zinc/42/66/30/1051426630.db2.gz AKSYAHHLBOQWNK-UHFFFAOYSA-N -1 3 311.410 4.352 20 0 DIADHM CCCCCC[C@@H](CCCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172515828 1051430766 /nfs/dbraw/zinc/43/07/66/1051430766.db2.gz DDBFXFRAFUIMNP-OAHLLOKOSA-N -1 3 307.415 4.063 20 0 DIADHM CSc1cc(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001215903684 1051442730 /nfs/dbraw/zinc/44/27/30/1051442730.db2.gz YHJSYUOQRPWXPB-UHFFFAOYSA-N -1 3 315.373 4.183 20 0 DIADHM CSc1ncc(Cl)cc1[N-]c1nc2ccc(F)cc2o1 ZINC001215914165 1051451505 /nfs/dbraw/zinc/45/15/05/1051451505.db2.gz BANKISQEJXFFLH-UHFFFAOYSA-N -1 3 309.753 4.481 20 0 DIADHM CSc1ncc(Cl)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001215915742 1051453341 /nfs/dbraw/zinc/45/33/41/1051453341.db2.gz ALKOYDHITVSKEX-UHFFFAOYSA-N -1 3 302.733 4.184 20 0 DIADHM CC(F)(F)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001212674415 1051467240 /nfs/dbraw/zinc/46/72/40/1051467240.db2.gz UOVOPHAKOUYZOL-UHFFFAOYSA-N -1 3 315.323 4.433 20 0 DIADHM O=c1cc(Nc2cc(F)cc(F)c2Cl)n(C2CCCC2)[n-]1 ZINC001215950395 1051477114 /nfs/dbraw/zinc/47/71/14/1051477114.db2.gz SSRKJVCJMSVDPZ-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC2(CCC2)CC1 ZINC000804625443 1051499562 /nfs/dbraw/zinc/49/95/62/1051499562.db2.gz PFBBJSAQEPFUQN-UHFFFAOYSA-N -1 3 301.411 4.013 20 0 DIADHM Cc1ccc(-c2ccccc2)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001215987995 1051505192 /nfs/dbraw/zinc/50/51/92/1051505192.db2.gz MOXHSOAFWOOIAB-UHFFFAOYSA-N -1 3 315.376 4.289 20 0 DIADHM [O-]c1cc(Nc2c(F)c(F)nc(F)c2Cl)ccc1Cl ZINC001212588429 1051578326 /nfs/dbraw/zinc/57/83/26/1051578326.db2.gz PMJXKNDXOSHXSY-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM Nc1ccc(Nc2ccc([O-])c(Cl)c2)cc1C(F)(F)F ZINC001216052638 1051551539 /nfs/dbraw/zinc/55/15/39/1051551539.db2.gz QLZXOORRAFOCLY-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Cc1cnc(Br)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589624 1051593863 /nfs/dbraw/zinc/59/38/63/1051593863.db2.gz VXYDIUGVPIADLT-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1ncc(Nc2ccc(Cl)c([O-])c2)cc1Br ZINC001212588334 1051576698 /nfs/dbraw/zinc/57/66/98/1051576698.db2.gz LEAKWKADQDJHGK-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cc(Nc2ccc(N3CCCCC3)nc2)ccc1Cl ZINC001212588441 1051578842 /nfs/dbraw/zinc/57/88/42/1051578842.db2.gz PUHALYQKXJQZFJ-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM [O-]c1cc(Nc2cnc(F)c(Br)c2)ccc1Cl ZINC001212588684 1051579129 /nfs/dbraw/zinc/57/91/29/1051579129.db2.gz YPFWQULFNLQTEN-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1ccc(-c2cc(Nc3ccc(Cl)c([O-])c3)on2)cc1 ZINC001212588125 1051580127 /nfs/dbraw/zinc/58/01/27/1051580127.db2.gz FXLLLIWGQVZZRU-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM [O-]c1cc(Nc2ncccc2OC(F)(F)F)ccc1Cl ZINC001212589434 1051585250 /nfs/dbraw/zinc/58/52/50/1051585250.db2.gz LFVYUQRVMAWTQA-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)cnc1Br ZINC001212589422 1051586719 /nfs/dbraw/zinc/58/67/19/1051586719.db2.gz KRSLHUXTVZQGQE-UHFFFAOYSA-N -1 3 313.582 4.255 20 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312.152 4.229 20 0 DIADHM CC(C)(C)c1cnn2cc(Nc3ccc(Cl)c([O-])c3)cnc12 ZINC001212591406 1051647172 /nfs/dbraw/zinc/64/71/72/1051647172.db2.gz KVINEMHPAPFMPW-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000493876144 1051660637 /nfs/dbraw/zinc/66/06/37/1051660637.db2.gz BKJHHIYWQNGOLD-DIFFPNOSSA-N -1 3 315.800 4.099 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3cccc(Cl)c3C)no2)c(O)c1 ZINC001216267169 1051665240 /nfs/dbraw/zinc/66/52/40/1051665240.db2.gz DATUZXLZDCVJRR-UHFFFAOYSA-N -1 3 316.744 4.085 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3ccc(Cl)cc3C)no2)c(O)c1 ZINC001216267679 1051665388 /nfs/dbraw/zinc/66/53/88/1051665388.db2.gz QLPVISGGAKHFSI-UHFFFAOYSA-N -1 3 316.744 4.085 20 0 DIADHM CCOC(=O)c1nc([N-]c2cc3c(cccc3F)o2)sc1C ZINC001216292296 1051677204 /nfs/dbraw/zinc/67/72/04/1051677204.db2.gz YHZKGIWDGUJPNP-UHFFFAOYSA-N -1 3 320.345 4.257 20 0 DIADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)c(C)cc1C ZINC001212593677 1051679531 /nfs/dbraw/zinc/67/95/31/1051679531.db2.gz DQVDHMXSBHDDBH-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM O=c1cc(Nc2ccc(F)c3ccoc32)[n-]n1-c1ccccc1 ZINC001216296288 1051680991 /nfs/dbraw/zinc/68/09/91/1051680991.db2.gz LEAUTBJZNNSBEC-UHFFFAOYSA-N -1 3 309.300 4.207 20 0 DIADHM [O-]c1cc(Nc2ccccc2OC2CCOCC2)ccc1Cl ZINC001212593928 1051681779 /nfs/dbraw/zinc/68/17/79/1051681779.db2.gz LRLTZCKUYJXWEU-UHFFFAOYSA-N -1 3 319.788 4.347 20 0 DIADHM O=C([N-]OCc1cccnc1)C1(C2CCCCC2)CCCCC1 ZINC000767185945 1051771059 /nfs/dbraw/zinc/77/10/59/1051771059.db2.gz FJQBRQRUPKRIJX-UHFFFAOYSA-N -1 3 316.445 4.160 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1ccccc1F ZINC001173847962 1051822030 /nfs/dbraw/zinc/82/20/30/1051822030.db2.gz LHTVDFDIYNMTSK-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM [O-]c1cccc(Nc2c(F)cccc2F)c1Br ZINC001173860897 1051832698 /nfs/dbraw/zinc/83/26/98/1051832698.db2.gz KMVSBHZIONMFJH-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccc4ccccc4n3)no2)c1 ZINC001216702210 1051865687 /nfs/dbraw/zinc/86/56/87/1051865687.db2.gz MQRMLGDMOWSAAM-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c(C)c1 ZINC001216702396 1051866089 /nfs/dbraw/zinc/86/60/89/1051866089.db2.gz QQWKCRASZDDFDM-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1ncc(Cl)cc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216701826 1051866243 /nfs/dbraw/zinc/86/62/43/1051866243.db2.gz CRNLVTCXADSLOF-UHFFFAOYSA-N -1 3 322.151 4.119 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4ccn(C)c4c3)no2)cc1F ZINC001216895643 1051903213 /nfs/dbraw/zinc/90/32/13/1051903213.db2.gz FTGNCMPQZJTSIA-UHFFFAOYSA-N -1 3 323.327 4.048 20 0 DIADHM Cc1cc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c(F)cc1F ZINC001216895468 1051904070 /nfs/dbraw/zinc/90/40/70/1051904070.db2.gz UJPUUGCEAVKMHZ-UHFFFAOYSA-N -1 3 320.270 4.143 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1F ZINC001216896122 1051904159 /nfs/dbraw/zinc/90/41/59/1051904159.db2.gz SYBVKPKHNVYZLA-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)ccn1 ZINC001216907868 1051905849 /nfs/dbraw/zinc/90/58/49/1051905849.db2.gz RRXBEXJSWMCSHT-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM CCC[C@@H](C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001626013374 1051919701 /nfs/dbraw/zinc/91/97/01/1051919701.db2.gz MZBNOJMYHCBCCU-OAHLLOKOSA-N -1 3 311.425 4.096 20 0 DIADHM Fc1ccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c(Cl)c1 ZINC001217136567 1051972739 /nfs/dbraw/zinc/97/27/39/1051972739.db2.gz FYEXEQOSOJXDKU-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1cc(Cl)cc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136937 1051973065 /nfs/dbraw/zinc/97/30/65/1051973065.db2.gz KTVQQGPCRUAABX-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM CC(C)Oc1ccccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217137047 1051973189 /nfs/dbraw/zinc/97/31/89/1051973189.db2.gz PEPTVOXYGSDVAU-UHFFFAOYSA-N -1 3 320.352 4.067 20 0 DIADHM c1cc2c(cccc2-c2noc(-c3nc4ccccc4[n-]3)n2)o1 ZINC001217136533 1051973511 /nfs/dbraw/zinc/97/35/11/1051973511.db2.gz 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/nfs/dbraw/zinc/06/81/33/1052068133.db2.gz YYOVSPFKZGSFHX-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM c1coc(-c2nnc([N-]c3cccc(N4CCCCC4)c3)o2)c1 ZINC001174301104 1052077204 /nfs/dbraw/zinc/07/72/04/1052077204.db2.gz MTWJJSNJOJFEBL-UHFFFAOYSA-N -1 3 310.357 4.064 20 0 DIADHM CC(C)n1cnc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001174384449 1052144482 /nfs/dbraw/zinc/14/44/82/1052144482.db2.gz GCXUJJPOTNEJJV-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM CSc1cccc(C)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000770194336 1052153280 /nfs/dbraw/zinc/15/32/80/1052153280.db2.gz OLVWPYXJTMACKB-UHFFFAOYSA-N -1 3 310.781 4.157 20 0 DIADHM Cc1csc2nc([N-][C@@H](c3ccccn3)C(F)(F)F)ncc12 ZINC001168477124 1052212234 /nfs/dbraw/zinc/21/22/34/1052212234.db2.gz IGZLDYFFUPYXIS-NSHDSACASA-N -1 3 324.331 4.110 20 0 DIADHM CCCCCCC(=O)Nc1ccc(Br)cc1[O-] ZINC000915198958 1052364988 /nfs/dbraw/zinc/36/49/88/1052364988.db2.gz XXOIISAIKBUZIW-UHFFFAOYSA-N -1 3 300.196 4.064 20 0 DIADHM Cc1ccc(-c2nc(Cc3cccc(F)c3Cl)no2)c([O-])c1 ZINC000762132643 1052315083 /nfs/dbraw/zinc/31/50/83/1052315083.db2.gz SBFRIEODGYHPBS-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CSc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000315350933 1052336603 /nfs/dbraw/zinc/33/66/03/1052336603.db2.gz LSXBXAMQHKPBON-UHFFFAOYSA-N -1 3 324.243 4.489 20 0 DIADHM FC(F)(F)[C@@H](Nc1ccc2c(c1)[N-]C(=S)C2)c1ccccn1 ZINC001168491724 1052402000 /nfs/dbraw/zinc/40/20/00/1052402000.db2.gz PRJQAMQIGBFCMV-AWEZNQCLSA-N -1 3 323.343 4.093 20 0 DIADHM Cc1cc(Oc2nc3ccccc3c(=O)[n-]2)cc(C)c1Cl ZINC000731972331 1052403279 /nfs/dbraw/zinc/40/32/79/1052403279.db2.gz LFGKLGFFXOVFEQ-UHFFFAOYSA-N -1 3 300.745 4.398 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1coc(C2CC2)n1 ZINC000763188994 1052530850 /nfs/dbraw/zinc/53/08/50/1052530850.db2.gz DVPBYQSJYMNYEW-UHFFFAOYSA-N -1 3 310.325 4.119 20 0 DIADHM CCC(CC)n1ncc(C(=O)Nc2cc(Cl)ccc2[O-])c1C ZINC000123975861 1052636645 /nfs/dbraw/zinc/63/66/45/1052636645.db2.gz PYJJDSCQYATMLB-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000125327739 1052648049 /nfs/dbraw/zinc/64/80/49/1052648049.db2.gz XWMDAKDSZYRDGX-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM C[C@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccccc1Cl ZINC000154219682 1052666996 /nfs/dbraw/zinc/66/69/96/1052666996.db2.gz PHVIXIVOQBLXBL-ARFNDINWSA-N -1 3 324.207 4.026 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2cc(F)c(OC)cc2F)on1 ZINC000126407738 1052670733 /nfs/dbraw/zinc/67/07/33/1052670733.db2.gz NHZPIPKTQWJEOJ-UHFFFAOYSA-N -1 3 324.327 4.117 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cccc(Cl)c1Cl ZINC000128275258 1052713751 /nfs/dbraw/zinc/71/37/51/1052713751.db2.gz RVFXXLCZZGYLDM-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC(C)c1ccc(OCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128817815 1052753860 /nfs/dbraw/zinc/75/38/60/1052753860.db2.gz IWFMMTOLWPKPSS-UHFFFAOYSA-N -1 3 317.360 4.062 20 0 DIADHM CCC[C@H](Oc1ccc2c([O-])coc2c1)c1ccc(OC)cc1 ZINC001225340028 1052776195 /nfs/dbraw/zinc/77/61/95/1052776195.db2.gz AEKRMQYXWVUEEN-SFHVURJKSA-N -1 3 312.365 4.191 20 0 DIADHM Cc1c(C(=O)Nc2cccc([O-])c2F)oc2c1c(C)ccc2C ZINC000129111905 1052776529 /nfs/dbraw/zinc/77/65/29/1052776529.db2.gz FFFBCQRNUQJYJC-UHFFFAOYSA-N -1 3 313.328 4.455 20 0 DIADHM O=C1CCc2ccc(OC(=C([O-])c3ccco3)c3ccco3)cc21 ZINC001225358155 1052779228 /nfs/dbraw/zinc/77/92/28/1052779228.db2.gz HBFGRTCHKRIFKX-IBGZPJMESA-N -1 3 322.316 4.005 20 0 DIADHM O=c1cc(Nc2ccnc(Cl)c2Cl)n(C2CCCC2)[n-]1 ZINC001212231488 1052780325 /nfs/dbraw/zinc/78/03/25/1052780325.db2.gz CTEMVVXUMZLFHH-UHFFFAOYSA-N -1 3 313.188 4.149 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cccc2c3c([nH]c21)CCCC3 ZINC000129483117 1052792181 /nfs/dbraw/zinc/79/21/81/1052792181.db2.gz ZKNWWWBOSSLXOB-UHFFFAOYSA-N -1 3 324.355 4.144 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(s1)CCCC2 ZINC000069693269 1052798846 /nfs/dbraw/zinc/79/88/46/1052798846.db2.gz WUASWCPWBMASJC-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccccc2)o1 ZINC000129765204 1052811064 /nfs/dbraw/zinc/81/10/64/1052811064.db2.gz NATIFNWAOIHTFQ-UHFFFAOYSA-N -1 3 313.284 4.169 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001225743340 1052824630 /nfs/dbraw/zinc/82/46/30/1052824630.db2.gz WALMTLLIJRXEJM-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM CC(=O)c1cccc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001225812013 1052833778 /nfs/dbraw/zinc/83/37/78/1052833778.db2.gz KHJHJGDAYCSSCC-GOSISDBHSA-N -1 3 310.305 4.078 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cc(-c3ccccc3)no2)c1 ZINC001225995486 1052856967 /nfs/dbraw/zinc/85/69/67/1052856967.db2.gz RWGZKXUFCKMVDC-ZDUSSCGKSA-N -1 3 323.348 4.390 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](c2ccccc2)c2ccccn2)c1 ZINC001225996507 1052857224 /nfs/dbraw/zinc/85/72/24/1052857224.db2.gz XLMMWYIDJLSQNO-HXUWFJFHSA-N -1 3 319.360 4.158 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2Cc3cccc4cccc2c34)c1 ZINC001225999552 1052857261 /nfs/dbraw/zinc/85/72/61/1052857261.db2.gz XRTZKKBGKQMXCW-GOSISDBHSA-N -1 3 304.345 4.424 20 0 DIADHM FC(F)(F)C1CCC(Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226117639 1052870045 /nfs/dbraw/zinc/87/00/45/1052870045.db2.gz SNLWSZQKAQSJBB-UHFFFAOYSA-N -1 3 318.364 4.143 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCCc3ccccc32)c1[O-] ZINC000556891484 1052894841 /nfs/dbraw/zinc/89/48/41/1052894841.db2.gz BAGKQYGLFATGIM-HNNXBMFYSA-N -1 3 323.392 4.044 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1O ZINC001226482266 1052900961 /nfs/dbraw/zinc/90/09/61/1052900961.db2.gz LKXQKPWCCIFBLD-MELADBBJSA-N -1 3 304.386 4.038 20 0 DIADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(OC3CCCC3)c2o1 ZINC001226492497 1052902824 /nfs/dbraw/zinc/90/28/24/1052902824.db2.gz XWRWEYJMUJGBDE-UHFFFAOYSA-N -1 3 322.360 4.487 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(OC3C[C@@H](C)C[C@H](C)C3)cc12 ZINC001226531712 1052907766 /nfs/dbraw/zinc/90/77/66/1052907766.db2.gz FSHVOYSIEMCRGV-QWRGUYRKSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533158 1052908169 /nfs/dbraw/zinc/90/81/69/1052908169.db2.gz BBODORMSBBSHLA-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(OC3CCC(C)(C)CC3)cc12 ZINC001226533341 1052908259 /nfs/dbraw/zinc/90/82/59/1052908259.db2.gz CQDGFEDLHRPBIF-UHFFFAOYSA-N -1 3 302.370 4.155 20 0 DIADHM CC[C@H]1CCCC[C@@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226535762 1052908442 /nfs/dbraw/zinc/90/84/42/1052908442.db2.gz RFKCTSYAKBCNLY-WFASDCNBSA-N -1 3 302.370 4.155 20 0 DIADHM CC(C)C1CCC(Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226595600 1052913986 /nfs/dbraw/zinc/91/39/86/1052913986.db2.gz FOHUPLZWGLCOEZ-UHFFFAOYSA-N -1 3 302.370 4.092 20 0 DIADHM CC(C)[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226597658 1052914064 /nfs/dbraw/zinc/91/40/64/1052914064.db2.gz WAPREEYSUPYOLR-KRWDZBQOSA-N -1 3 310.349 4.275 20 0 DIADHM [O-]c1cccc(O[C@H]2CCCN(c3ccccc3)C2)c1Cl ZINC001226709558 1052923607 /nfs/dbraw/zinc/92/36/07/1052923607.db2.gz OLLVYPSHOBJHHS-AWEZNQCLSA-N -1 3 303.789 4.093 20 0 DIADHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cccc([O-])c1Cl ZINC001226710248 1052923929 /nfs/dbraw/zinc/92/39/29/1052923929.db2.gz WPYXDXUBNALFFL-OLZOCXBDSA-N -1 3 316.825 4.035 20 0 DIADHM [O-]C(=C(Oc1nc2ccccc2o1)c1ccco1)c1ccco1 ZINC001226906242 1052943787 /nfs/dbraw/zinc/94/37/87/1052943787.db2.gz PVQZQVCYZMSPHQ-INIZCTEOSA-N -1 3 309.277 4.017 20 0 DIADHM CCc1cnc(=S)[n-]c1O[C@H](c1ccccc1)C(F)(F)F ZINC001227060881 1052957470 /nfs/dbraw/zinc/95/74/70/1052957470.db2.gz GKCYMKDEXZUYOC-LLVKDONJSA-N -1 3 314.332 4.010 20 0 DIADHM O=c1cc(O[C@@H](c2ccccc2)C2CC2)[n-]c(C(F)(F)F)c1 ZINC001227586242 1053002455 /nfs/dbraw/zinc/00/24/55/1053002455.db2.gz KEXKZWHSRLIRMZ-HNNXBMFYSA-N -1 3 309.287 4.336 20 0 DIADHM CCC[C@@H](Oc1ncc(Cl)cc1[O-])c1ccc(OC)cc1 ZINC001227982647 1053033149 /nfs/dbraw/zinc/03/31/49/1053033149.db2.gz GAECXBVFXJOBHQ-OAHLLOKOSA-N -1 3 307.777 4.369 20 0 DIADHM COc1ccc([C@H](Oc2ncc(Cl)cc2[O-])C(C)C)cc1 ZINC001227981452 1053033297 /nfs/dbraw/zinc/03/32/97/1053033297.db2.gz VYJLVNSLVYLRCV-OAHLLOKOSA-N -1 3 307.777 4.225 20 0 DIADHM [O-]c1cc(Cl)cnc1O[C@@H](c1ccccc1)C(F)(F)F ZINC001227979309 1053033472 /nfs/dbraw/zinc/03/34/72/1053033472.db2.gz BPXRPGHLJGTSJO-NSHDSACASA-N -1 3 303.667 4.123 20 0 DIADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1cc2ccccc2s1 ZINC001228008433 1053035884 /nfs/dbraw/zinc/03/58/84/1053035884.db2.gz NVPABDONSUHQGN-JTQLQIEISA-N -1 3 323.377 4.085 20 0 DIADHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2ccccc2F)on1 ZINC000615914886 1053037275 /nfs/dbraw/zinc/03/72/75/1053037275.db2.gz LEAVMUAIMJAMNE-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(OC(C2CC2)C2CC2)c1 ZINC001228155646 1053048638 /nfs/dbraw/zinc/04/86/38/1053048638.db2.gz VSVUTSUNEZWSRU-UHFFFAOYSA-N -1 3 308.377 4.191 20 0 DIADHM C[C@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)c1nccs1 ZINC001228346243 1053079404 /nfs/dbraw/zinc/07/94/04/1053079404.db2.gz BOQLXPSGTHOAHV-JTQLQIEISA-N -1 3 315.423 4.029 20 0 DIADHM CC(C)CCc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000617094167 1053095119 /nfs/dbraw/zinc/09/51/19/1053095119.db2.gz GPHVBVDKLPCTQP-UHFFFAOYSA-N -1 3 315.851 4.094 20 0 DIADHM O=C(Nc1ccc([O-])c(F)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000168952746 1053145357 /nfs/dbraw/zinc/14/53/57/1053145357.db2.gz OLGKWZRULFQWRM-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001228622836 1053148532 /nfs/dbraw/zinc/14/85/32/1053148532.db2.gz MPOISDHWQTZUOT-GMXVVIOVSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1ccc2c(c1)[C@@H](Oc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001228628306 1053149969 /nfs/dbraw/zinc/14/99/69/1053149969.db2.gz JTKMZEJUEYGGIG-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628028 1053150269 /nfs/dbraw/zinc/15/02/69/1053150269.db2.gz HTLHJPOQXFJCCC-DOMZBBRYSA-N -1 3 302.370 4.155 20 0 DIADHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccc2ccccc2c1 ZINC001228697739 1053160775 /nfs/dbraw/zinc/16/07/75/1053160775.db2.gz OSWXNSZHNHPUCI-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM CC[C@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000069374260 1053177963 /nfs/dbraw/zinc/17/79/63/1053177963.db2.gz UUHYXYXXZIREIV-AWEZNQCLSA-N -1 3 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[O-]c1cccc(OC2CCC(F)(F)CC2)c1Br ZINC001229138507 1053256718 /nfs/dbraw/zinc/25/67/18/1053256718.db2.gz AHRXFMUGBGMGQF-UHFFFAOYSA-N -1 3 307.134 4.111 20 0 DIADHM COc1cccc([C@H](C)Oc2cccc([O-])c2Br)c1 ZINC001229140222 1053257223 /nfs/dbraw/zinc/25/72/23/1053257223.db2.gz YBQWOTHVQANBLS-JTQLQIEISA-N -1 3 323.186 4.303 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC001352042549 1053265596 /nfs/dbraw/zinc/26/55/96/1053265596.db2.gz OLPKUGNYFGUSRK-UHFFFAOYSA-N -1 3 319.430 4.158 20 0 DIADHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)c3cccs3)c12 ZINC001229353050 1053304924 /nfs/dbraw/zinc/30/49/24/1053304924.db2.gz JYJAFJLJEZOAQP-QMMMGPOBSA-N -1 3 308.453 4.490 20 0 DIADHM Cc1ccccc1[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570912 1053354969 /nfs/dbraw/zinc/35/49/69/1053354969.db2.gz XBEBDOIUOPZDKE-SNVBAGLBSA-N -1 3 302.424 4.428 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2cccc3ccccc32)cc1F ZINC001200103522 1053383693 /nfs/dbraw/zinc/38/36/93/1053383693.db2.gz KETASTZMKHCCGZ-UHFFFAOYSA-N -1 3 312.369 4.493 20 0 DIADHM Cc1coc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)c1 ZINC001434945975 1053395683 /nfs/dbraw/zinc/39/56/83/1053395683.db2.gz UCKASONBFCMOAO-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001127685349 1053422434 /nfs/dbraw/zinc/42/24/34/1053422434.db2.gz AGRDSQVXCTXEKE-OAHLLOKOSA-N -1 3 320.772 4.362 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC2CCCC2)c1 ZINC001300145549 1053434840 /nfs/dbraw/zinc/43/48/40/1053434840.db2.gz VXFNOUBIUZPGLE-CQSZACIVSA-N -1 3 319.470 4.299 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2CC2CCCC2)c1 ZINC001300145548 1053435028 /nfs/dbraw/zinc/43/50/28/1053435028.db2.gz VXFNOUBIUZPGLE-AWEZNQCLSA-N -1 3 319.470 4.299 20 0 DIADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC001229952334 1053438192 /nfs/dbraw/zinc/43/81/92/1053438192.db2.gz AXYWDYFTPLOKDF-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC001229952334 1053438197 /nfs/dbraw/zinc/43/81/97/1053438197.db2.gz AXYWDYFTPLOKDF-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM Fc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC000163094821 1053494160 /nfs/dbraw/zinc/49/41/60/1053494160.db2.gz MXXBVNFQPBZWDG-UHFFFAOYSA-N -1 3 323.356 4.031 20 0 DIADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(O[C@H]2C=CCC2)c1 ZINC001230454098 1053541562 /nfs/dbraw/zinc/54/15/62/1053541562.db2.gz RANIKUYFNSADCY-HNNXBMFYSA-N -1 3 314.768 4.374 20 0 DIADHM C[C@H](Oc1ccccc1Oc1ccccc1[O-])C1CCOCC1 ZINC001231219261 1053703783 /nfs/dbraw/zinc/70/37/83/1053703783.db2.gz UOXPLHSHLKNPPD-AWEZNQCLSA-N -1 3 314.381 4.378 20 0 DIADHM C[C@H]1CC[C@@H](COc2ccccc2Oc2ccccc2[O-])O1 ZINC001231219368 1053703937 /nfs/dbraw/zinc/70/39/37/1053703937.db2.gz WGUISHUSCQLDGV-KBPBESRZSA-N -1 3 300.354 4.131 20 0 DIADHM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153634844 1053704934 /nfs/dbraw/zinc/70/49/34/1053704934.db2.gz YXLPSXMWWKENGJ-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153677135 1053705832 /nfs/dbraw/zinc/70/58/32/1053705832.db2.gz YZNGCIUVGAUVQP-DTWKUNHWSA-N -1 3 321.726 4.353 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCc2sccc21 ZINC000154575323 1053740855 /nfs/dbraw/zinc/74/08/55/1053740855.db2.gz SSNMHQDDTDUVGJ-LLVKDONJSA-N -1 3 307.802 4.166 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)c1 ZINC001231455819 1053754176 /nfs/dbraw/zinc/75/41/76/1053754176.db2.gz GBMXSWPVLCWBNX-GOSISDBHSA-N -1 3 313.372 4.169 20 0 DIADHM CN(Cc1ccc([O-])c(C(F)(F)F)c1)Cc1ccccc1F ZINC001231524958 1053781326 /nfs/dbraw/zinc/78/13/26/1053781326.db2.gz QBDANVVXCAHPHY-UHFFFAOYSA-N -1 3 313.294 4.182 20 0 DIADHM Cc1ccc([C@@H]2CCCN2Cc2ccc(Cl)c([O-])c2)cn1 ZINC001231734492 1053842031 /nfs/dbraw/zinc/84/20/31/1053842031.db2.gz AGFXFKROKXYLAM-INIZCTEOSA-N -1 3 302.805 4.086 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(F)ncc1C ZINC001436564603 1053906027 /nfs/dbraw/zinc/90/60/27/1053906027.db2.gz BIKYUBKCTFZCQT-UHFFFAOYSA-N -1 3 308.353 4.033 20 0 DIADHM CC(C)N(CC1CCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621975424 1054066501 /nfs/dbraw/zinc/06/65/01/1054066501.db2.gz GIPASNZEOVANAB-UHFFFAOYSA-N -1 3 315.335 4.062 20 0 DIADHM CN(Cc1ccc(F)c([O-])c1F)Cc1cccc2ccccc21 ZINC001232935826 1054150255 /nfs/dbraw/zinc/15/02/55/1054150255.db2.gz NHPBJWKBSYOZFS-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@H](c3ccccc3)C2)c1F ZINC001232936539 1054153516 /nfs/dbraw/zinc/15/35/16/1054153516.db2.gz SNNIGBDQOJBHLO-AWEZNQCLSA-N -1 3 303.352 4.050 20 0 DIADHM CCCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000622299015 1054157568 /nfs/dbraw/zinc/15/75/68/1054157568.db2.gz GGZYQUATSCLRCC-UHFFFAOYSA-N -1 3 323.436 4.388 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccc(C)s2)C(C)C)c1 ZINC000622328630 1054174518 /nfs/dbraw/zinc/17/45/18/1054174518.db2.gz DSNOBOFIJJLOAQ-UHFFFAOYSA-N -1 3 317.454 4.375 20 0 DIADHM COc1cccc([C@@H]2CCCCN2Cc2cccc([O-])c2F)c1 ZINC001233053129 1054177156 /nfs/dbraw/zinc/17/71/56/1054177156.db2.gz KUNJFESYWNGEBR-KRWDZBQOSA-N -1 3 315.388 4.267 20 0 DIADHM [O-]c1cccc(CN(Cc2ccccc2)Cc2ccncc2)c1F ZINC001233050770 1054177529 /nfs/dbraw/zinc/17/75/29/1054177529.db2.gz VDGYWTHSTMBDTH-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H]2c2ccc(F)cc2F)c1F ZINC001233054806 1054178403 /nfs/dbraw/zinc/17/84/03/1054178403.db2.gz ZJOAQQWCIARVMF-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000622358405 1054179704 /nfs/dbraw/zinc/17/97/04/1054179704.db2.gz MDOLFYJGFQUDPD-GOSISDBHSA-N -1 3 323.436 4.050 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000622420727 1054211192 /nfs/dbraw/zinc/21/11/92/1054211192.db2.gz ARDHENUUFZAMIY-UHFFFAOYSA-N -1 3 309.409 4.402 20 0 DIADHM CC(C)[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622424686 1054215831 /nfs/dbraw/zinc/21/58/31/1054215831.db2.gz GDGGASOKRTWMTE-GOSISDBHSA-N -1 3 323.436 4.101 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2C)c1 ZINC000622435979 1054226439 /nfs/dbraw/zinc/22/64/39/1054226439.db2.gz FBJJEFRPWXTSPA-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000622448062 1054239970 /nfs/dbraw/zinc/23/99/70/1054239970.db2.gz YVPIDJIQYGNTJX-MRXNPFEDSA-N -1 3 319.420 4.035 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)c([O-])c1 ZINC000622447447 1054240076 /nfs/dbraw/zinc/24/00/76/1054240076.db2.gz ILUBSNHGDXNIPG-INIZCTEOSA-N -1 3 301.430 4.276 20 0 DIADHM [O-]c1ccc(F)c(CN2CCCC[C@@H]2c2ccccc2)c1F ZINC001233393465 1054259303 /nfs/dbraw/zinc/25/93/03/1054259303.db2.gz WDMKNEDSDGJLEI-MRXNPFEDSA-N -1 3 303.352 4.398 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H](Cc3ccccc3)C2)c1F ZINC001233395933 1054259606 /nfs/dbraw/zinc/25/96/06/1054259606.db2.gz ZYUQXDWMAKDXJA-OAHLLOKOSA-N -1 3 317.379 4.125 20 0 DIADHM CC(C)(CC(=O)Nc1ncccc1[O-])Cc1ccc(Cl)cc1 ZINC000622504881 1054260491 /nfs/dbraw/zinc/26/04/91/1054260491.db2.gz DILIXWDKJNMNJR-UHFFFAOYSA-N -1 3 318.804 4.038 20 0 DIADHM CCc1ccc(CN(C)Cc2ccc(OC)c([O-])c2Cl)cc1 ZINC001233401383 1054263218 /nfs/dbraw/zinc/26/32/18/1054263218.db2.gz XPNAUGISGPUAJM-UHFFFAOYSA-N -1 3 319.832 4.249 20 0 DIADHM CCN(Cc1ccc(F)cc1)Cc1ccc(OC)c([O-])c1Cl ZINC001233401283 1054263782 /nfs/dbraw/zinc/26/37/82/1054263782.db2.gz TXCVUEIFJFYDMD-UHFFFAOYSA-N -1 3 323.795 4.215 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c1 ZINC000622562733 1054281966 /nfs/dbraw/zinc/28/19/66/1054281966.db2.gz ODLOWKZXEMFTLS-KRWDZBQOSA-N -1 3 309.409 4.355 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCCN(c2ccccc2)C1 ZINC001233591910 1054303171 /nfs/dbraw/zinc/30/31/71/1054303171.db2.gz IBAIQQJMXWKJLJ-HNNXBMFYSA-N -1 3 317.816 4.402 20 0 DIADHM COc1ccc(OC[C@H](C)Oc2cc(Cl)c([O-])cc2C)cc1 ZINC001233593327 1054304287 /nfs/dbraw/zinc/30/42/87/1054304287.db2.gz VVYZQDNVNPXXPH-LBPRGKRZSA-N -1 3 322.788 4.209 20 0 DIADHM CCOC(=O)[C@@H](Oc1cc(Cl)c([O-])cc1C)c1ccccc1 ZINC001233592455 1054304486 /nfs/dbraw/zinc/30/44/86/1054304486.db2.gz NBOVASVKFTXLSK-INIZCTEOSA-N -1 3 320.772 4.037 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001233596480 1054306332 /nfs/dbraw/zinc/30/63/32/1054306332.db2.gz ZULWIDXYATZTDE-GASCZTMLSA-N -1 3 318.800 4.481 20 0 DIADHM [O-]c1cccc(O[C@@H]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001233869281 1054376144 /nfs/dbraw/zinc/37/61/44/1054376144.db2.gz FHRPUZWTTSGKQX-LSDHHAIUSA-N -1 3 302.345 4.048 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(OCC(C)C)c2)c1 ZINC001441749128 1054398329 /nfs/dbraw/zinc/39/83/29/1054398329.db2.gz DVPZWGCPECAHNR-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM Cc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)c([O-])c1C ZINC001441740416 1054398964 /nfs/dbraw/zinc/39/89/64/1054398964.db2.gz UGXUMUNGRDAQTA-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C)c([O-])c1 ZINC001441819457 1054400586 /nfs/dbraw/zinc/40/05/86/1054400586.db2.gz PTWRZTNPFJAUPC-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM CCc1cccc(C(=O)N(C2CC2)C2CCC(C)CC2)c1[O-] ZINC001442364858 1054419598 /nfs/dbraw/zinc/41/95/98/1054419598.db2.gz JTEZVGVPULCWBF-UHFFFAOYSA-N -1 3 301.430 4.138 20 0 DIADHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2c(C)cccc2[O-])c1C ZINC001442411162 1054421867 /nfs/dbraw/zinc/42/18/67/1054421867.db2.gz JHBMIPKIEPPSKX-UHFFFAOYSA-N -1 3 322.408 4.037 20 0 DIADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001443683747 1054455699 /nfs/dbraw/zinc/45/56/99/1054455699.db2.gz AKVZKUVLIYMBKT-DNVCBOLYSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1ccc([C@@H](C)CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001444443601 1054477097 /nfs/dbraw/zinc/47/70/97/1054477097.db2.gz NRBXHIFIUWZIKV-HNNXBMFYSA-N -1 3 319.404 4.387 20 0 DIADHM Cc1ccc(OC[C@H](C)Oc2c(Cl)ccc([O-])c2F)cc1 ZINC001234262646 1054477397 /nfs/dbraw/zinc/47/73/97/1054477397.db2.gz BSQXEWDPPKAORM-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM Cc1cccc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC001444461115 1054477706 /nfs/dbraw/zinc/47/77/06/1054477706.db2.gz SHHYFYFPYQYKBX-UHFFFAOYSA-N -1 3 311.425 4.489 20 0 DIADHM Cc1cccc(OC[C@@H](C)Oc2c(Cl)ccc([O-])c2F)c1 ZINC001234263285 1054478218 /nfs/dbraw/zinc/47/82/18/1054478218.db2.gz WKEPUKFVMILCNV-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM C[C@H]1Cc2ccccc2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001445034860 1054494636 /nfs/dbraw/zinc/49/46/36/1054494636.db2.gz NCPMWTORELOHRV-AWEZNQCLSA-N -1 3 317.388 4.132 20 0 DIADHM CC[C@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380218 1054512425 /nfs/dbraw/zinc/51/24/25/1054512425.db2.gz VGBGAFJTOPXOCZ-LBPRGKRZSA-N -1 3 310.349 4.343 20 0 DIADHM CC1(C)CC(Oc2c([O-])cc(Cl)cc2F)CC(C)(C)O1 ZINC001234445373 1054523924 /nfs/dbraw/zinc/52/39/24/1054523924.db2.gz YYFAKKTXEQMTEI-UHFFFAOYSA-N -1 3 302.773 4.300 20 0 DIADHM C[C@@H](Oc1c([O-])cc(Cl)cc1F)c1cccnc1Cl ZINC001234446942 1054524703 /nfs/dbraw/zinc/52/47/03/1054524703.db2.gz HLIYNHNLWCXWLC-SSDOTTSWSA-N -1 3 302.132 4.373 20 0 DIADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1cc(-c2ccccc2)no1 ZINC001234452274 1054526545 /nfs/dbraw/zinc/52/65/45/1054526545.db2.gz MTADFQUEVRAGJS-LLVKDONJSA-N -1 3 321.336 4.064 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1[nH]ccc1-c1ccccc1 ZINC001446522584 1054538073 /nfs/dbraw/zinc/53/80/73/1054538073.db2.gz AACOVGGYPNBICR-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM C[C@H]1CCc2sc(C(=O)Nc3ccc(Cl)cc3[O-])cc2C1 ZINC001447276971 1054558355 /nfs/dbraw/zinc/55/83/55/1054558355.db2.gz WGIFGIKESYLZJM-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM Cc1ccc(/C=C\CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001447274918 1054559338 /nfs/dbraw/zinc/55/93/38/1054559338.db2.gz PCGYBUZFBHYNDW-IHWYPQMZSA-N -1 3 301.773 4.396 20 0 DIADHM Cc1ccc([C@@H](C)Oc2nc[n-]c(=O)c2-c2ccccc2)cc1 ZINC001234692061 1054576744 /nfs/dbraw/zinc/57/67/44/1054576744.db2.gz LXLYULFKKIGYMC-CQSZACIVSA-N -1 3 306.365 4.298 20 0 DIADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1cccc(F)c1 ZINC001234688553 1054578600 /nfs/dbraw/zinc/57/86/00/1054578600.db2.gz IEMLLXIMQBDDFN-LBPRGKRZSA-N -1 3 310.328 4.128 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001448064540 1054586956 /nfs/dbraw/zinc/58/69/56/1054586956.db2.gz FOCLFDOGQGKZIB-OAHLLOKOSA-N -1 3 301.430 4.133 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001448064525 1054587404 /nfs/dbraw/zinc/58/74/04/1054587404.db2.gz FOCLFDOGQGKZIB-HNNXBMFYSA-N -1 3 301.430 4.133 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(Cl)cc(Cl)n1 ZINC000185651856 1054609345 /nfs/dbraw/zinc/60/93/45/1054609345.db2.gz KWGLUCZVLJTLLF-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CC(C)O[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001450274507 1054643728 /nfs/dbraw/zinc/64/37/28/1054643728.db2.gz PYIWAQDPCQHCQS-UHFFFAOYSA-N -1 3 309.837 4.289 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCCC23CCCC3)c1 ZINC001450450254 1054649368 /nfs/dbraw/zinc/64/93/68/1054649368.db2.gz QIMKXLGCZQRMLF-INIZCTEOSA-N -1 3 319.470 4.347 20 0 DIADHM Cc1ccc(C(=O)N2CCC(C)(C)c3ccccc32)c([O-])c1C ZINC001450625785 1054655580 /nfs/dbraw/zinc/65/55/80/1054655580.db2.gz RHLZZJNUSVZAKR-UHFFFAOYSA-N -1 3 309.409 4.337 20 0 DIADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001450915090 1054663340 /nfs/dbraw/zinc/66/33/40/1054663340.db2.gz VZUPYQWQDMMDIP-PIGZYNQJSA-N -1 3 303.427 4.306 20 0 DIADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001450915062 1054664088 /nfs/dbraw/zinc/66/40/88/1054664088.db2.gz VZUPYQWQDMMDIP-APPDUMDISA-N -1 3 303.427 4.306 20 0 DIADHM CSc1ccc(Cl)c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000179149025 1054667249 /nfs/dbraw/zinc/66/72/49/1054667249.db2.gz VIINAJMXKMCPJL-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001451737164 1054685721 /nfs/dbraw/zinc/68/57/21/1054685721.db2.gz HCHJXMHQVCQBFB-CABCVRRESA-N -1 3 321.486 4.401 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1 ZINC001452152695 1054695592 /nfs/dbraw/zinc/69/55/92/1054695592.db2.gz RMIINDKRDYYXLO-NVXWUHKLSA-N -1 3 315.457 4.243 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2NC2CCC2)c1 ZINC001452813969 1054717972 /nfs/dbraw/zinc/71/79/72/1054717972.db2.gz AOFGBGPPTGNCAS-UHFFFAOYSA-N -1 3 310.397 4.171 20 0 DIADHM Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC001453042701 1054727578 /nfs/dbraw/zinc/72/75/78/1054727578.db2.gz GNMVKMQDLXTZTN-UHFFFAOYSA-N -1 3 319.404 4.135 20 0 DIADHM C[C@H]1C[C@H](CNC(=O)c2cc3sccc3c([O-])c2)C[C@@H](C)C1 ZINC001453052918 1054728581 /nfs/dbraw/zinc/72/85/81/1054728581.db2.gz AVEZTCJHTOCZKU-ITGUQSILSA-N -1 3 317.454 4.409 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c1ccn2C(F)F ZINC001453216351 1054730125 /nfs/dbraw/zinc/73/01/25/1054730125.db2.gz SJBDRIWUHGVFPU-UHFFFAOYSA-N -1 3 316.307 4.303 20 0 DIADHM Cc1ccc(C(=O)NCc2c(Cl)oc3ccccc32)c([O-])c1 ZINC001453430336 1054734543 /nfs/dbraw/zinc/73/45/43/1054734543.db2.gz LICCCJAYIQOENI-UHFFFAOYSA-N -1 3 315.756 4.030 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC2CCC2)c1 ZINC001453883494 1054750247 /nfs/dbraw/zinc/75/02/47/1054750247.db2.gz NJMJKXLEEOMHQZ-MRXNPFEDSA-N -1 3 301.430 4.140 20 0 DIADHM CC1(C)C[C@@]1(C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001453891587 1054751415 /nfs/dbraw/zinc/75/14/15/1054751415.db2.gz OKWFKGKRTGUULN-LJQANCHMSA-N -1 3 311.381 4.103 20 0 DIADHM CC1(C)C[C@@]1(C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001453888135 1054752675 /nfs/dbraw/zinc/75/26/75/1054752675.db2.gz IXBCEYBAFLKNKL-OAQYLSRUSA-N -1 3 323.436 4.096 20 0 DIADHM CC(C)CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001453891456 1054752748 /nfs/dbraw/zinc/75/27/48/1054752748.db2.gz OCYCCPBLAOMWKG-UHFFFAOYSA-N -1 3 323.436 4.292 20 0 DIADHM C[C@@H]1c2ccccc2CN1C(=O)c1cc2sccc2c([O-])c1 ZINC001454010037 1054753433 /nfs/dbraw/zinc/75/34/33/1054753433.db2.gz YEWVKLODCZWQCH-LLVKDONJSA-N -1 3 309.390 4.324 20 0 DIADHM CCc1cccc(C(=O)N(C)C[C@@H](C)C2CCCCC2)c1[O-] ZINC001454626006 1054776609 /nfs/dbraw/zinc/77/66/09/1054776609.db2.gz RCRXKMMQWBDLLT-CQSZACIVSA-N -1 3 303.446 4.243 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc(C(C)(C)C)o2)c([O-])c1 ZINC001454771980 1054783925 /nfs/dbraw/zinc/78/39/25/1054783925.db2.gz DBZMOLUZYKZSSL-UHFFFAOYSA-N -1 3 315.413 4.336 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccc(-c3ccccc3F)nn2)c1 ZINC001235899616 1054838416 /nfs/dbraw/zinc/83/84/16/1054838416.db2.gz IVIPJZDDWOYLSH-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM CC1(C)CCCN(c2ccnc(-c3cc([O-])cc(Cl)c3)n2)C1 ZINC001235901248 1054840367 /nfs/dbraw/zinc/84/03/67/1054840367.db2.gz ROADOQUXGBSXHE-UHFFFAOYSA-N -1 3 317.820 4.129 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1csc(C2CCCCC2)n1 ZINC001350146720 1054878170 /nfs/dbraw/zinc/87/81/70/1054878170.db2.gz SFMCYGVWGNCHRR-UHFFFAOYSA-N -1 3 323.368 4.116 20 0 DIADHM Cc1ccc2sc([N-]C(=O)c3ocnc3C(F)F)nc2c1C ZINC001535384128 1054917339 /nfs/dbraw/zinc/91/73/39/1054917339.db2.gz BKRPCUBBGBBCJU-UHFFFAOYSA-N -1 3 323.324 4.091 20 0 DIADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1ccc(C(F)F)o1 ZINC001535466854 1054948666 /nfs/dbraw/zinc/94/86/66/1054948666.db2.gz RFCZRJOVMNVBEF-UHFFFAOYSA-N -1 3 309.165 4.026 20 0 DIADHM CC(C)c1nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)cs1 ZINC001535466072 1054950056 /nfs/dbraw/zinc/95/00/56/1054950056.db2.gz BUXAMZKKTAPNJO-UHFFFAOYSA-N -1 3 318.295 4.075 20 0 DIADHM O=c1ccnc(C=Cc2cc(Cl)ccc2OC2CCCC2)[n-]1 ZINC000764433081 1055183796 /nfs/dbraw/zinc/18/37/96/1055183796.db2.gz BWXAFRUELXIDPO-VMPITWQZSA-N -1 3 316.788 4.327 20 0 DIADHM Cc1ccc(COc2ccc(C=Cc3nccc(=O)[n-]3)cc2)cc1 ZINC000764433072 1055183982 /nfs/dbraw/zinc/18/39/82/1055183982.db2.gz BDIRNYSUMFBPPI-FLIBITNWSA-N -1 3 318.376 4.240 20 0 DIADHM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000764626182 1055224124 /nfs/dbraw/zinc/22/41/24/1055224124.db2.gz NFANLJQFUIDRAG-UHFFFAOYSA-N -1 3 319.788 4.435 20 0 DIADHM CC(C)C1CCN(Cc2ccc(Br)c([O-])c2)CC1 ZINC001236699004 1055231607 /nfs/dbraw/zinc/23/16/07/1055231607.db2.gz PJHARZDHRPUYEE-UHFFFAOYSA-N -1 3 312.251 4.023 20 0 DIADHM [O-]c1cc(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)ccc1F ZINC001236715450 1055240716 /nfs/dbraw/zinc/24/07/16/1055240716.db2.gz YENPQOPICOIEHR-HNNXBMFYSA-N -1 3 321.342 4.156 20 0 DIADHM C/C=C(/C=C\C(=O)Nc1ccc(Br)cc1[O-])CC ZINC000764840659 1055274001 /nfs/dbraw/zinc/27/40/01/1055274001.db2.gz LVQFWKVEEXLYHE-IKJNXXLOSA-N -1 3 310.191 4.006 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(CC1CC1)c1cccc(F)c1 ZINC001587399779 1055287089 /nfs/dbraw/zinc/28/70/89/1055287089.db2.gz SGBXGQQXNVCYQD-UHFFFAOYSA-N -1 3 319.763 4.242 20 0 DIADHM O=C(Nc1cc(F)cc(F)c1)c1cc2sccc2c([O-])c1 ZINC001587611285 1055336423 /nfs/dbraw/zinc/33/64/23/1055336423.db2.gz LOXGZRCKBJAKGP-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)c([O-])c1 ZINC001587776745 1055364701 /nfs/dbraw/zinc/36/47/01/1055364701.db2.gz MVEPYWHYBDTYDG-INIZCTEOSA-N -1 3 317.816 4.489 20 0 DIADHM C[C@@H](c1ccccc1Cl)N(C)Cc1sc(=O)[n-]c1Cl ZINC001237169411 1055390975 /nfs/dbraw/zinc/39/09/75/1055390975.db2.gz NIVBYGLQEWZBGX-QMMMGPOBSA-N -1 3 317.241 4.349 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccc(Cl)cc1Cl ZINC001237285051 1055416041 /nfs/dbraw/zinc/41/60/41/1055416041.db2.gz MJJCIVXBPRQZNE-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2c(F)cccc2F)c1 ZINC001237284470 1055416099 /nfs/dbraw/zinc/41/60/99/1055416099.db2.gz WDTRNQTTWUFATL-INIZCTEOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@H]2c2cc(F)ccc2F)c1 ZINC001237276340 1055416524 /nfs/dbraw/zinc/41/65/24/1055416524.db2.gz BMZVVGYCEWSVEG-KRWDZBQOSA-N -1 3 307.315 4.147 20 0 DIADHM O=C(N[C@@H](c1cccs1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000471620448 1055452357 /nfs/dbraw/zinc/45/23/57/1055452357.db2.gz JMKZOJOPXLNWAT-GOSISDBHSA-N -1 3 323.417 4.488 20 0 DIADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])c2ccccc2c1 ZINC000471641640 1055456547 /nfs/dbraw/zinc/45/65/47/1055456547.db2.gz FZWQCGVLZYBEBQ-UHFFFAOYSA-N -1 3 302.333 4.279 20 0 DIADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)c1ccc(OC)cc1 ZINC000471690965 1055461311 /nfs/dbraw/zinc/46/13/11/1055461311.db2.gz BFGHTMNOEPZWBU-UHFFFAOYSA-N -1 3 321.376 4.221 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@]2(C)c2ccccc2)c1 ZINC001589125088 1055481444 /nfs/dbraw/zinc/48/14/44/1055481444.db2.gz DUODGGAEWZTQJR-HXUWFJFHSA-N -1 3 309.409 4.106 20 0 DIADHM COc1cc(/C=C\C(=O)c2ccccc2C)cc(Cl)c1[O-] ZINC000213702133 1055535212 /nfs/dbraw/zinc/53/52/12/1055535212.db2.gz CDRQQAPPQJYHAU-FPLPWBNLSA-N -1 3 302.757 4.259 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C)c(C)c3ncccc23)c1[O-] ZINC001620945292 1055560647 /nfs/dbraw/zinc/56/06/47/1055560647.db2.gz ZFMMTYQMRPRWEW-UHFFFAOYSA-N -1 3 320.392 4.372 20 0 DIADHM CN(C/C=C/c1ccccc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237994063 1055575938 /nfs/dbraw/zinc/57/59/38/1055575938.db2.gz BEEAWTCEMDXJSO-VMPITWQZSA-N -1 3 305.780 4.330 20 0 DIADHM [O-]c1c(F)cc(CN2CCC3(CC[C@@H](F)C3)CC2)cc1Cl ZINC001237992972 1055576766 /nfs/dbraw/zinc/57/67/66/1055576766.db2.gz NZLFEKKFKMHIGP-GFCCVEGCSA-N -1 3 315.791 4.289 20 0 DIADHM [O-]c1c(F)cc(CN(Cc2ccccc2)C2CC2)cc1Cl ZINC001237992578 1055577398 /nfs/dbraw/zinc/57/73/98/1055577398.db2.gz MIFYYBGZAATBBA-UHFFFAOYSA-N -1 3 305.780 4.349 20 0 DIADHM CN(Cc1cccc(Cl)c1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990844 1055578140 /nfs/dbraw/zinc/57/81/40/1055578140.db2.gz ZJJAMXWISHMBAC-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1ccccc1[O-] ZINC001595806165 1055635195 /nfs/dbraw/zinc/63/51/95/1055635195.db2.gz BHUODEWGSVTGHI-UHFFFAOYSA-N -1 3 322.191 4.118 20 0 DIADHM CC[C@H]1CCCCN1Cc1c(Br)ccc([O-])c1F ZINC001238307708 1055638531 /nfs/dbraw/zinc/63/85/31/1055638531.db2.gz GFNJCHFMINOGCV-JTQLQIEISA-N -1 3 316.214 4.058 20 0 DIADHM CCCC1(CNC(=O)c2cc3sccc3c([O-])c2)CCC1 ZINC001595953149 1055652101 /nfs/dbraw/zinc/65/21/01/1055652101.db2.gz SIILKRPVGBEXKK-UHFFFAOYSA-N -1 3 303.427 4.307 20 0 DIADHM CCCCCc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC001538534643 1055652490 /nfs/dbraw/zinc/65/24/90/1055652490.db2.gz KRIYXISMHLMNRP-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000033661830 1055660538 /nfs/dbraw/zinc/66/05/38/1055660538.db2.gz VGIWTYWHXSEQSQ-IINYFYTJSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472145922 1055690404 /nfs/dbraw/zinc/69/04/04/1055690404.db2.gz OGERBOVLGDXSNI-XUWXXGDYSA-N -1 3 309.409 4.339 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001565659177 1055716789 /nfs/dbraw/zinc/71/67/89/1055716789.db2.gz JWCGTAVKYOFYEW-GOEBONIOSA-N -1 3 303.446 4.460 20 0 DIADHM CCc1ccc(C(=O)NCc2cccc3ccccc32)c([O-])c1 ZINC001565659912 1055716814 /nfs/dbraw/zinc/71/68/14/1055716814.db2.gz IEGSFQQKLYMYKK-UHFFFAOYSA-N -1 3 305.377 4.038 20 0 DIADHM CC(C)[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001565746757 1055725312 /nfs/dbraw/zinc/72/53/12/1055725312.db2.gz YFPZXGPAWZFCKC-AWEZNQCLSA-N -1 3 303.427 4.258 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)[C@H](C)c2ccc(F)cc2)c1 ZINC001596732385 1055741401 /nfs/dbraw/zinc/74/14/01/1055741401.db2.gz CMDUYRBDPDDQLW-CYBMUJFWSA-N -1 3 315.388 4.317 20 0 DIADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cscc1Cl ZINC001596888357 1055757569 /nfs/dbraw/zinc/75/75/69/1055757569.db2.gz YVSGEBBKKIPNOH-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC1(CC(=O)Nc2cc(Br)ccc2[O-])CCCC1 ZINC001567237304 1055795573 /nfs/dbraw/zinc/79/55/73/1055795573.db2.gz MACAOHDZPVUPML-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(cccc2C2CC2)[nH]1 ZINC001567234665 1055795661 /nfs/dbraw/zinc/79/56/61/1055795661.db2.gz MKDBAFMTYBOTLJ-UHFFFAOYSA-N -1 3 310.328 4.142 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H](C)c3ccccc32)c1[O-] ZINC001567385779 1055801248 /nfs/dbraw/zinc/80/12/48/1055801248.db2.gz RQZLMJCDCBXFRK-AWEZNQCLSA-N -1 3 309.409 4.499 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C3CC3)c(C)c2)cc1[O-] ZINC001567797895 1055819515 /nfs/dbraw/zinc/81/95/15/1055819515.db2.gz WUZVFEHWPJDORN-UHFFFAOYSA-N -1 3 309.365 4.033 20 0 DIADHM O=C(CCc1ccc(F)c2c1CCCC2)[N-]OC1CCCCC1 ZINC001567889681 1055825222 /nfs/dbraw/zinc/82/52/22/1055825222.db2.gz KNLXTCINUVURBP-UHFFFAOYSA-N -1 3 319.420 4.018 20 0 DIADHM CC[C@H](NC(=O)c1c([O-])cccc1O)c1cccc2ccccc21 ZINC001649061582 1055826323 /nfs/dbraw/zinc/82/63/23/1055826323.db2.gz SDVXNZQNOUWBIG-INIZCTEOSA-N -1 3 321.376 4.132 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001568348716 1055835219 /nfs/dbraw/zinc/83/52/19/1055835219.db2.gz ZJWBLCLHJZWKSI-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM CSCCO[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001568543876 1055839109 /nfs/dbraw/zinc/83/91/09/1055839109.db2.gz OSUMBHZQFIEQIB-UHFFFAOYSA-N -1 3 323.502 4.108 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c([O-])c1 ZINC001568641582 1055841880 /nfs/dbraw/zinc/84/18/80/1055841880.db2.gz WVOWTZBZFAHSBZ-KRWDZBQOSA-N -1 3 323.436 4.201 20 0 DIADHM O=C([N-]c1cc(Cl)cc(Cl)c1F)c1ncc(F)cc1F ZINC001597599186 1055850037 /nfs/dbraw/zinc/85/00/37/1055850037.db2.gz HZCUZZOGLSHPFV-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CCN(CC)Cc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F ZINC001239275760 1055856289 /nfs/dbraw/zinc/85/62/89/1055856289.db2.gz YVOPSSVUUYVQFP-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM O=C(CC[C@@H]1CCc2ccccc21)Nc1c([O-])cccc1Cl ZINC001569681791 1055868266 /nfs/dbraw/zinc/86/82/66/1055868266.db2.gz BUSOLSLIOCFUBG-ZDUSSCGKSA-N -1 3 315.800 4.494 20 0 DIADHM CC(C)Oc1ncc(Cl)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001239332830 1055873163 /nfs/dbraw/zinc/87/31/63/1055873163.db2.gz SYPUBOQDPCWMIE-UHFFFAOYSA-N -1 3 318.829 4.485 20 0 DIADHM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc2sccc2c([O-])c1 ZINC001570329247 1055896849 /nfs/dbraw/zinc/89/68/49/1055896849.db2.gz QGWMHTCYHSHFOB-GXTWGEPZSA-N -1 3 315.438 4.163 20 0 DIADHM CCCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001570716799 1055914068 /nfs/dbraw/zinc/91/40/68/1055914068.db2.gz BOYDHIKMUXSKHB-UHFFFAOYSA-N -1 3 309.837 4.291 20 0 DIADHM O=C(Nc1cccc2cnccc21)c1cc2c(cc1[O-])CCCC2 ZINC001539937056 1055937443 /nfs/dbraw/zinc/93/74/43/1055937443.db2.gz XYFWITXTLAUYLM-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM COc1cccc(C)c1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000473234299 1055982209 /nfs/dbraw/zinc/98/22/09/1055982209.db2.gz MCHNTPCHPMVAGU-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3nc(C)sc3c2)c1[O-] ZINC001540291429 1056009485 /nfs/dbraw/zinc/00/94/85/1056009485.db2.gz VXAANRZWZOFXFY-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540295614 1056011131 /nfs/dbraw/zinc/01/11/31/1056011131.db2.gz HIQQEOSXNXJNGI-BEFAXECRSA-N -1 3 323.436 4.292 20 0 DIADHM O=C(Nc1ccc(Cl)cc1F)c1cc2c(cc1[O-])CCCC2 ZINC001540384746 1056024126 /nfs/dbraw/zinc/02/41/26/1056024126.db2.gz VKIUCVCKWKCLEL-UHFFFAOYSA-N -1 3 319.763 4.316 20 0 DIADHM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(Oc2ccccc2)ccc1[O-] ZINC001606729947 1056037666 /nfs/dbraw/zinc/03/76/66/1056037666.db2.gz KICLDFHNMSMJQO-FDQGKXFDSA-N -1 3 323.392 4.103 20 0 DIADHM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001606729958 1056038277 /nfs/dbraw/zinc/03/82/77/1056038277.db2.gz KICLDFHNMSMJQO-RPVQJOFSSA-N -1 3 323.392 4.103 20 0 DIADHM C[C@H]1CCc2ccccc2N1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC001540511594 1056038969 /nfs/dbraw/zinc/03/89/69/1056038969.db2.gz QLOYGMVXQLGYAB-AWEZNQCLSA-N -1 3 321.420 4.253 20 0 DIADHM C/C(=C/c1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC001610905251 1056076872 /nfs/dbraw/zinc/07/68/72/1056076872.db2.gz CGKOGQBJHUHUTL-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC001542093314 1056102323 /nfs/dbraw/zinc/10/23/23/1056102323.db2.gz BJAXTUHLUUHQRE-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC(C)CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001542161930 1056105871 /nfs/dbraw/zinc/10/58/71/1056105871.db2.gz WWTNZEMMROJNPQ-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c([O-])c1 ZINC001542195266 1056110578 /nfs/dbraw/zinc/11/05/78/1056110578.db2.gz SGJWDLWRHLDMHV-KRWDZBQOSA-N -1 3 301.430 4.310 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@H](C)CC)cc2)c1 ZINC001542295712 1056115301 /nfs/dbraw/zinc/11/53/01/1056115301.db2.gz GGMFTICTEZHHCT-CYBMUJFWSA-N -1 3 313.397 4.384 20 0 DIADHM CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001239891862 1056136563 /nfs/dbraw/zinc/13/65/63/1056136563.db2.gz BKXKMMSYIBENDV-UHFFFAOYSA-N -1 3 324.449 4.131 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC001583702244 1056146694 /nfs/dbraw/zinc/14/66/94/1056146694.db2.gz HLVWMCRVYXQGQP-RDTXWAMCSA-N -1 3 323.392 4.199 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001542631431 1056148134 /nfs/dbraw/zinc/14/81/34/1056148134.db2.gz YHOFMPQORILFCZ-GOEBONIOSA-N -1 3 303.446 4.283 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2c([O-])cccc2Cl)o1 ZINC000655110952 1056161628 /nfs/dbraw/zinc/16/16/28/1056161628.db2.gz VTLDDWNXHQWIME-PWSUYJOCSA-N -1 3 319.788 4.333 20 0 DIADHM CCCC[C@H](CC)CCCN(C)C(=O)c1c([O-])cccc1O ZINC001611598479 1056175747 /nfs/dbraw/zinc/17/57/47/1056175747.db2.gz RJAIQBPXYGPOKE-AWEZNQCLSA-N -1 3 307.434 4.166 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C)c2C)c1 ZINC001543320804 1056201766 /nfs/dbraw/zinc/20/17/66/1056201766.db2.gz ZBMJWILWZOMOQS-ZDUSSCGKSA-N -1 3 315.438 4.222 20 0 DIADHM Fc1ccc(OCc2ccccc2)c(-c2ccc(=S)[n-]n2)c1 ZINC001239980705 1056218634 /nfs/dbraw/zinc/21/86/34/1056218634.db2.gz APWOGJVYZFHOQD-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c([O-])c1 ZINC001543478469 1056232542 /nfs/dbraw/zinc/23/25/42/1056232542.db2.gz JKPLNRXWWVDCRF-UHFFFAOYSA-N -1 3 324.424 4.189 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2F)c([O-])c1 ZINC001543486686 1056233781 /nfs/dbraw/zinc/23/37/81/1056233781.db2.gz PMGVJEVXZFOFBZ-CYBMUJFWSA-N -1 3 315.388 4.488 20 0 DIADHM Cc1ccc2oc([N-]c3cnn(-c4ccccc4F)c3)nc2c1 ZINC001612096441 1056240369 /nfs/dbraw/zinc/24/03/69/1056240369.db2.gz PPVRHZNNTFCLDZ-UHFFFAOYSA-N -1 3 308.316 4.205 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c([O-])c1 ZINC001543523551 1056243799 /nfs/dbraw/zinc/24/37/99/1056243799.db2.gz BAIXPIXFCLVRDY-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM CC(=O)n1ncc2ccc(Nc3ccc(C)c([O-])c3Cl)cc21 ZINC001212421360 1056247394 /nfs/dbraw/zinc/24/73/94/1056247394.db2.gz OZTWOVUQOXBLCG-UHFFFAOYSA-N -1 3 315.760 4.107 20 0 DIADHM C[C@H]1CC(CNC(=O)CCCc2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC001584053391 1056247794 /nfs/dbraw/zinc/24/77/94/1056247794.db2.gz YAYUKHUPAUFQBO-ZIAGYGMSSA-N -1 3 321.436 4.043 20 0 DIADHM CCc1ccc(C(=O)N(CC)Cc2ccccc2Cl)c([O-])c1 ZINC001543536022 1056247834 /nfs/dbraw/zinc/24/78/34/1056247834.db2.gz WNYUEFCUUSSMKH-UHFFFAOYSA-N -1 3 317.816 4.270 20 0 DIADHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001584119011 1056266379 /nfs/dbraw/zinc/26/63/79/1056266379.db2.gz CHONMPCKNKTPJY-RYUDHWBXSA-N -1 3 303.427 4.163 20 0 DIADHM CCCCNC(=O)c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240089010 1056315464 /nfs/dbraw/zinc/31/54/64/1056315464.db2.gz BMBOIFZQDBLZSN-UHFFFAOYSA-N -1 3 324.449 4.179 20 0 DIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001584330298 1056318541 /nfs/dbraw/zinc/31/85/41/1056318541.db2.gz RNBREUXNINYRLK-JTQLQIEISA-N -1 3 324.207 4.060 20 0 DIADHM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1ccc(Cl)cc1[O-] ZINC000765883886 1056354522 /nfs/dbraw/zinc/35/45/22/1056354522.db2.gz LQBHHNSNQJJCBI-QHHAFSJGSA-N -1 3 312.756 4.179 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000354003771 1056390429 /nfs/dbraw/zinc/39/04/29/1056390429.db2.gz VOGWSPAERHEUSV-UHFFFAOYSA-N -1 3 311.406 4.188 20 0 DIADHM Fc1ccc(COc2ccc(-c3ccc(=S)[n-]n3)cc2)cc1 ZINC001240279433 1056408976 /nfs/dbraw/zinc/40/89/76/1056408976.db2.gz SBFJXZGWXUZJSX-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2nc3ccccc3n2C(C)C)c1 ZINC001584774476 1056415209 /nfs/dbraw/zinc/41/52/09/1056415209.db2.gz XZXHNRQJAQSQKG-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000013948860 1056432034 /nfs/dbraw/zinc/43/20/34/1056432034.db2.gz VXIHGASVFQMBGQ-JTQLQIEISA-N -1 3 309.884 4.039 20 0 DIADHM CC[C@@H](C)c1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001585029305 1056467198 /nfs/dbraw/zinc/46/71/98/1056467198.db2.gz XJZAPQSXZBWXLM-GFCCVEGCSA-N -1 3 311.381 4.361 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)c([O-])c1 ZINC001544633886 1056471261 /nfs/dbraw/zinc/47/12/61/1056471261.db2.gz 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COc1c(C(=O)[O-])cccc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001242924123 1057519370 /nfs/dbraw/zinc/51/93/70/1057519370.db2.gz NGJLCONXNUIBCI-UHFFFAOYSA-N -1 3 323.392 4.062 20 0 DIADHM Cc1nnc([N-][C@H](c2cccs2)c2ccc(C(C)C)cc2)o1 ZINC000576250458 1057551005 /nfs/dbraw/zinc/55/10/05/1057551005.db2.gz UXBZIIDXTLMZJT-INIZCTEOSA-N -1 3 313.426 4.764 20 0 DIADHM COC(=O)c1cc2cccc(-c3ccc(F)c([O-])c3)c2s1 ZINC001243048177 1057557385 /nfs/dbraw/zinc/55/73/85/1057557385.db2.gz JLDPWVWCVJMYQS-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM [O-]c1cc(-c2ccc(-c3c[nH]c4ccccc43)nn2)ccc1F ZINC001243049504 1057557652 /nfs/dbraw/zinc/55/76/52/1057557652.db2.gz VHCMIYFHZBRRPB-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(-c2ccc(O[C@H]3CCCCO3)cc2F)ccc1F ZINC001243051709 1057558297 /nfs/dbraw/zinc/55/82/97/1057558297.db2.gz SNFMGBQYSYMART-KRWDZBQOSA-N -1 3 306.308 4.243 20 0 DIADHM COC(=O)c1cccc(C(F)(F)F)c1-c1ccc(F)c([O-])c1 ZINC001243050422 1057558942 /nfs/dbraw/zinc/55/89/42/1057558942.db2.gz 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/nfs/dbraw/zinc/65/72/81/1057657281.db2.gz GCDWXDOAWVYDED-UHFFFAOYSA-N -1 3 309.409 4.484 20 0 DIADHM C[C@H](CN(C)C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000525916991 1057657662 /nfs/dbraw/zinc/65/76/62/1057657662.db2.gz FSJXEODWUBXQPN-OAHLLOKOSA-N -1 3 319.404 4.421 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1ccccc1)C1CC1 ZINC000527457282 1057663987 /nfs/dbraw/zinc/66/39/87/1057663987.db2.gz OQWHUXSAMXIXSI-UHFFFAOYSA-N -1 3 317.388 4.350 20 0 DIADHM CSc1cc(C)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001243382851 1057665315 /nfs/dbraw/zinc/66/53/15/1057665315.db2.gz QIMVNWCIIFLSQV-UHFFFAOYSA-N -1 3 316.373 4.481 20 0 DIADHM [O-]c1cccc(-c2ncnc3sc4c(c32)CCCC4)c1F ZINC001243541175 1057708584 /nfs/dbraw/zinc/70/85/84/1057708584.db2.gz AGDMTYDGKVVRSQ-UHFFFAOYSA-N -1 3 300.358 4.082 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2cccc([O-])c2F)c1 ZINC001243541478 1057708906 /nfs/dbraw/zinc/70/89/06/1057708906.db2.gz BTGMOOSZORMTQA-UHFFFAOYSA-N -1 3 323.327 4.237 20 0 DIADHM Cc1ccccc1-c1nc2c(ncnc2-c2cccc([O-])c2F)o1 ZINC001243544500 1057709277 /nfs/dbraw/zinc/70/92/77/1057709277.db2.gz QWJMQCYFYONHPB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCOC(=O)c1cc2c(ccc(-c3cccc([O-])c3F)c2C)o1 ZINC001243545286 1057709364 /nfs/dbraw/zinc/70/93/64/1057709364.db2.gz BSEUWMLIPMCMEV-UHFFFAOYSA-N -1 3 314.312 4.430 20 0 DIADHM CCOC(=O)c1cc2cc(-c3cccc([O-])c3F)ccc2o1 ZINC001243545062 1057709628 /nfs/dbraw/zinc/70/96/28/1057709628.db2.gz PIQCBOPRVGEPQH-UHFFFAOYSA-N -1 3 300.285 4.121 20 0 DIADHM COC(=O)c1ccc(-c2cccc([O-])c2F)c(C(F)(F)F)c1 ZINC001243545226 1057709844 /nfs/dbraw/zinc/70/98/44/1057709844.db2.gz YPRCARVQPDGETA-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cccc(-c2ccc3nnc(-c4ccccc4F)n3c2)c1F ZINC001243545608 1057709907 /nfs/dbraw/zinc/70/99/07/1057709907.db2.gz NYUNPYIZLCQOSR-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CC(=O)Nc1ccc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243611588 1057732849 /nfs/dbraw/zinc/73/28/49/1057732849.db2.gz 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/nfs/dbraw/zinc/86/88/28/1057868828.db2.gz KOPODAQMPQFSSE-UHFFFAOYSA-N -1 3 321.342 4.462 20 0 DIADHM COc1cc(C(=O)[O-])cc(-c2ccc3c(c2)C(C(C)C)=NCC3)c1 ZINC001244177162 1057892167 /nfs/dbraw/zinc/89/21/67/1057892167.db2.gz YHJIZILPIJYXEA-UHFFFAOYSA-N -1 3 323.392 4.062 20 0 DIADHM Nc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1OC(F)(F)F ZINC001244280542 1057923054 /nfs/dbraw/zinc/92/30/54/1057923054.db2.gz WFGGNBRHIACTBZ-UHFFFAOYSA-N -1 3 324.327 4.130 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc2ncc(F)cc2n1 ZINC001244456901 1057962995 /nfs/dbraw/zinc/96/29/95/1057962995.db2.gz JIWHRHJKNRQZLH-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2c(F)cccc21 ZINC001244455525 1057963033 /nfs/dbraw/zinc/96/30/33/1057963033.db2.gz IDMITFWRUXRITI-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM CSc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncc1F ZINC001244455964 1057963140 /nfs/dbraw/zinc/96/31/40/1057963140.db2.gz NTLGFLXVZDMRJK-UHFFFAOYSA-N -1 3 319.279 4.214 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cnc2cc(F)ccc2n1 ZINC001244456069 1057963265 /nfs/dbraw/zinc/96/32/65/1057963265.db2.gz OSSKKODJXXTFHG-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc(-n2cccc2)cn1 ZINC001244458147 1057963576 /nfs/dbraw/zinc/96/35/76/1057963576.db2.gz BNTAFUBADZLHAI-UHFFFAOYSA-N -1 3 320.270 4.144 20 0 DIADHM CCSc1ccnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244458354 1057963596 /nfs/dbraw/zinc/96/35/96/1057963596.db2.gz IKTPXUDXWFJAGM-UHFFFAOYSA-N -1 3 315.316 4.465 20 0 DIADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc2cc[nH]c21 ZINC001244457877 1057963758 /nfs/dbraw/zinc/96/37/58/1057963758.db2.gz VGJYYFSCDKUNEL-UHFFFAOYSA-N -1 3 308.259 4.143 20 0 DIADHM CSc1cccnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244457822 1057963860 /nfs/dbraw/zinc/96/38/60/1057963860.db2.gz SOLBIUYIVBSHMK-UHFFFAOYSA-N -1 3 301.289 4.075 20 0 DIADHM CCOC(=O)c1cc2cccc(-c3ccc(Cl)cc3[O-])c2[nH]1 ZINC001244469922 1057968016 /nfs/dbraw/zinc/96/80/16/1057968016.db2.gz UOVNPDRNJJGQQP-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM COC(=O)C1(c2ccc(-c3ccc(Cl)cc3[O-])cc2)CCC1 ZINC001244471136 1057968785 /nfs/dbraw/zinc/96/87/85/1057968785.db2.gz DIFOBOREFMREBU-UHFFFAOYSA-N -1 3 316.784 4.307 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccnc(OCc2ccncc2)c1 ZINC001244471241 1057968845 /nfs/dbraw/zinc/96/88/45/1057968845.db2.gz BBYWYFXKGKLPJH-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM CN1C(=O)CC(C)(C)c2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244472913 1057969262 /nfs/dbraw/zinc/96/92/62/1057969262.db2.gz SXGXGEQXMCPICD-UHFFFAOYSA-N -1 3 315.800 4.357 20 0 DIADHM COc1cc(-c2ccc(Cl)cc2[O-])ccc1OC(F)F ZINC001244472489 1057969349 /nfs/dbraw/zinc/96/93/49/1057969349.db2.gz NRDYKICBNIXQQR-UHFFFAOYSA-N -1 3 300.688 4.323 20 0 DIADHM COC(=O)c1cnc2ccc(-c3ccc(Cl)cc3[O-])cc2c1 ZINC001244472510 1057969359 /nfs/dbraw/zinc/96/93/59/1057969359.db2.gz ORPJNZFYIMFRPO-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1cccc(-c2ncc3ncccn32)c1 ZINC001244472141 1057969442 /nfs/dbraw/zinc/96/94/42/1057969442.db2.gz LECQKWULAPTOHE-UHFFFAOYSA-N -1 3 321.767 4.422 20 0 DIADHM CC(=O)Oc1c[nH]c2cc(-c3ccc(Cl)cc3[O-])ccc12 ZINC001244473886 1057970027 /nfs/dbraw/zinc/97/00/27/1057970027.db2.gz VZAFWOMCMRNMLM-UHFFFAOYSA-N -1 3 301.729 4.119 20 0 DIADHM O=C(Nc1ccccn1)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244474294 1057970048 /nfs/dbraw/zinc/97/00/48/1057970048.db2.gz ZHZUSGCCDGFDGG-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CC1(C)Cc2c(cccc2-c2ccc(Cl)cc2[O-])NC1=O ZINC001244476446 1057970729 /nfs/dbraw/zinc/97/07/29/1057970729.db2.gz NIKPXIBEMCQQTQ-UHFFFAOYSA-N -1 3 301.773 4.233 20 0 DIADHM CSc1nc2sccc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244495020 1057975456 /nfs/dbraw/zinc/97/54/56/1057975456.db2.gz ATBFSISIXSIITN-UHFFFAOYSA-N -1 3 306.387 4.233 20 0 DIADHM CSc1nc2ccsc2c(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507746 1057980502 /nfs/dbraw/zinc/98/05/02/1057980502.db2.gz XFZBBTZXKYPDHQ-UHFFFAOYSA-N -1 3 306.387 4.233 20 0 DIADHM CSc1ncc2cc(-c3cc(C)c(F)c([O-])c3)ccc2n1 ZINC001244514744 1057983018 /nfs/dbraw/zinc/98/30/18/1057983018.db2.gz AZZNWXWMVVPXPW-UHFFFAOYSA-N -1 3 300.358 4.172 20 0 DIADHM CCOC(=O)c1cc2ccc(-c3cc(C)c(F)c([O-])c3)cc2[nH]1 ZINC001244514771 1057983297 /nfs/dbraw/zinc/98/32/97/1057983297.db2.gz BVSPRAGGAQRSRW-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM COC(=O)c1c[nH]c2ccc(-c3cc(C)c([O-])c(Cl)c3)cc21 ZINC001244536976 1057988949 /nfs/dbraw/zinc/98/89/49/1057988949.db2.gz CZYAFLVBEZZDAD-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM Cc1cc(-c2ccc3nc(N(C)C)ncc3c2)cc(Cl)c1[O-] ZINC001244537018 1057989018 /nfs/dbraw/zinc/98/90/18/1057989018.db2.gz FIVXNZVAWFBAFZ-UHFFFAOYSA-N -1 3 313.788 4.030 20 0 DIADHM Cc1cc(-c2ccccc2C(=O)N2CCCC2)cc(Cl)c1[O-] ZINC001244537641 1057989345 /nfs/dbraw/zinc/98/93/45/1057989345.db2.gz ODIWOUNYNMMSNI-UHFFFAOYSA-N -1 3 315.800 4.257 20 0 DIADHM COC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)c2cc[nH]c21 ZINC001244546822 1057992759 /nfs/dbraw/zinc/99/27/59/1057992759.db2.gz JTVCNCYQPHDKQV-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM Cc1cc(-c2cc(C3OCCO3)ccc2F)cc(Cl)c1[O-] ZINC001244551258 1057993321 /nfs/dbraw/zinc/99/33/21/1057993321.db2.gz VJJIOYYMHUDIPP-UHFFFAOYSA-N -1 3 308.736 4.206 20 0 DIADHM CC[S@](=N)(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244550721 1057993686 /nfs/dbraw/zinc/99/36/86/1057993686.db2.gz JITCWPPLMCJOGK-FQEVSTJZSA-N -1 3 309.818 4.447 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)c(C)cc1OC ZINC001244550822 1057993839 /nfs/dbraw/zinc/99/38/39/1057993839.db2.gz NZKOOYKYJMUWSV-UHFFFAOYSA-N -1 3 320.772 4.125 20 0 DIADHM COc1cc(-c2cc(C)c([O-])c(Cl)c2)c(NC(C)=O)cc1C ZINC001244553958 1057994101 /nfs/dbraw/zinc/99/41/01/1057994101.db2.gz JONYYXLWYCAPFA-UHFFFAOYSA-N -1 3 319.788 4.296 20 0 DIADHM CCn1nnc2c1ccc(-c1cc(C)c([O-])c(Cl)c1)c2C ZINC001244553876 1057994127 /nfs/dbraw/zinc/99/41/27/1057994127.db2.gz KNSXBLPNLDTTNX-UHFFFAOYSA-N -1 3 301.777 4.094 20 0 DIADHM Cc1cc(-c2ccc(S(=O)(=O)C(C)C)cc2)cc(Cl)c1[O-] ZINC001244554748 1057994535 /nfs/dbraw/zinc/99/45/35/1057994535.db2.gz NONQDRGMJCGHKC-UHFFFAOYSA-N -1 3 324.829 4.203 20 0 DIADHM Cc1cc(-c2ccc3nnc(C4CCC4)n3c2)cc(Cl)c1[O-] ZINC001244556575 1057995091 /nfs/dbraw/zinc/99/50/91/1057995091.db2.gz VXVACUNWZCPAHW-UHFFFAOYSA-N -1 3 313.788 4.331 20 0 DIADHM [O-]c1c(Cl)ccc(-c2cnccc2CN2CCCCC2)c1F ZINC001244634567 1058015982 /nfs/dbraw/zinc/01/59/82/1058015982.db2.gz YJEYQLWRMIXFRH-UHFFFAOYSA-N -1 3 320.795 4.233 20 0 DIADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1ccccc1F ZINC001245052516 1058103384 /nfs/dbraw/zinc/10/33/84/1058103384.db2.gz IWWRNDPLJFMDSG-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM CC(C)(C)OC(=O)c1nc(F)ccc1-c1cc(Cl)ccc1[O-] ZINC001245053107 1058103733 /nfs/dbraw/zinc/10/37/33/1058103733.db2.gz ULDNCBMEDKOULX-UHFFFAOYSA-N -1 3 323.751 4.202 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccncc3)nc3c2CCC3)c(Cl)c1 ZINC001245079483 1058107618 /nfs/dbraw/zinc/10/76/18/1058107618.db2.gz OWZKZIHPWGAJTK-UHFFFAOYSA-N -1 3 323.783 4.053 20 0 DIADHM COC(=O)c1cc2ccccc2nc1-c1ccc([O-])cc1Cl ZINC001245077596 1058107796 /nfs/dbraw/zinc/10/77/96/1058107796.db2.gz CWVWNBBRUAEVRD-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3ccc(F)cc3F)nn2)c(Cl)c1 ZINC001245079621 1058107863 /nfs/dbraw/zinc/10/78/63/1058107863.db2.gz SMYTWRGKGQLYQS-UHFFFAOYSA-N -1 3 318.710 4.448 20 0 DIADHM COC(=O)c1cccc2nc(-c3ccc([O-])cc3Cl)ccc21 ZINC001245080696 1058108349 /nfs/dbraw/zinc/10/83/49/1058108349.db2.gz VHOCMWJGNHEGHB-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CC(C)c1noc(-c2ccnc(-c3ccc([O-])cc3Cl)c2)n1 ZINC001245080745 1058108472 /nfs/dbraw/zinc/10/84/72/1058108472.db2.gz WIFQSWFBQGJDCI-UHFFFAOYSA-N -1 3 315.760 4.281 20 0 DIADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1ccccc1F ZINC001245083698 1058108894 /nfs/dbraw/zinc/10/88/94/1058108894.db2.gz RLORZJMOYJEWQM-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM CC(C)(O)c1cc(F)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001245143128 1058120197 /nfs/dbraw/zinc/12/01/97/1058120197.db2.gz HGYDEZFGTICATQ-UHFFFAOYSA-N -1 3 301.386 4.016 20 0 DIADHM CCN(CC)Cc1ccc(-c2cccc(C(=O)[O-])c2C)cc1F ZINC001245301584 1058143295 /nfs/dbraw/zinc/14/32/95/1058143295.db2.gz UIGDWKYHENBEQF-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM COc1cc2ccccc2cc1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001245416632 1058163434 /nfs/dbraw/zinc/16/34/34/1058163434.db2.gz CYICUFNHKTUIBE-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1cc2ccccc2cc1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001245416632 1058163439 /nfs/dbraw/zinc/16/34/39/1058163439.db2.gz CYICUFNHKTUIBE-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COC(=O)c1cc2cc(-c3c([O-])cccc3F)ccc2s1 ZINC001245652467 1058309304 /nfs/dbraw/zinc/30/93/04/1058309304.db2.gz BWFULQLNGNVUTM-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM Cc1cc(OCc2ccccc2)ncc1-c1c([O-])cccc1F ZINC001245653364 1058310249 /nfs/dbraw/zinc/31/02/49/1058310249.db2.gz CMJKVTDXYKJWSD-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM CCOC(=O)c1cc2cc(-c3c([O-])cccc3F)ccc2o1 ZINC001245653098 1058310601 /nfs/dbraw/zinc/31/06/01/1058310601.db2.gz KCDAZBYROUTAME-UHFFFAOYSA-N -1 3 300.285 4.121 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(OC(F)(F)F)c(F)c1F ZINC001245656538 1058312789 /nfs/dbraw/zinc/31/27/89/1058312789.db2.gz PMSRQWQNBVFGKK-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM [O-]c1cc(F)c(-c2cncc(CN3CCCCC3)c2)cc1Cl ZINC001245671791 1058329392 /nfs/dbraw/zinc/32/93/92/1058329392.db2.gz LHLZDQOWRJDPPI-UHFFFAOYSA-N -1 3 320.795 4.233 20 0 DIADHM CSc1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001245778988 1058467160 /nfs/dbraw/zinc/46/71/60/1058467160.db2.gz XHVUQNGIGXDQSC-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1c(Cl)cccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001245778988 1058467163 /nfs/dbraw/zinc/46/71/63/1058467163.db2.gz XHVUQNGIGXDQSC-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1c(Cl)c(C)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001245833650 1058535790 /nfs/dbraw/zinc/53/57/90/1058535790.db2.gz OUAIAMCLIQNWNK-UHFFFAOYSA-N -1 3 316.817 4.217 20 0 DIADHM CSc1c(Cl)c(C)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001245833650 1058535805 /nfs/dbraw/zinc/53/58/05/1058535805.db2.gz OUAIAMCLIQNWNK-UHFFFAOYSA-N -1 3 316.817 4.217 20 0 DIADHM COc1cc(F)c(C(=O)[N-]c2ccc(C)cc2SC)c(F)c1 ZINC001528860334 1058535988 /nfs/dbraw/zinc/53/59/88/1058535988.db2.gz OABQMOCXVIHVRY-UHFFFAOYSA-N -1 3 323.364 4.256 20 0 DIADHM COc1ccc(/C(C)=C/C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081875 1058540699 /nfs/dbraw/zinc/54/06/99/1058540699.db2.gz OXQPBHBNORKHLG-PKNBQFBNSA-N -1 3 317.772 4.096 20 0 DIADHM CCCCC1(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001556082715 1058540802 /nfs/dbraw/zinc/54/08/02/1058540802.db2.gz BCBPMNAQTQQOIY-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM Cc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081628 1058542005 /nfs/dbraw/zinc/54/20/05/1058542005.db2.gz FPUBRYOAWWTDHW-UHFFFAOYSA-N -1 3 303.789 4.270 20 0 DIADHM CC1(C)Cc2cccc(C(=O)Nc3ccc(Cl)cc3[O-])c2O1 ZINC001556081917 1058542272 /nfs/dbraw/zinc/54/22/72/1058542272.db2.gz QSTQVWWCVZOOIU-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081978 1058542335 /nfs/dbraw/zinc/54/23/35/1058542335.db2.gz UPGQTBFAURTYCM-LLVKDONJSA-N -1 3 319.788 4.475 20 0 DIADHM O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(Cl)cc1[O-] ZINC001556081942 1058542396 /nfs/dbraw/zinc/54/23/96/1058542396.db2.gz SBRWLTOGSXFMEF-ZZXKWVIFSA-N -1 3 314.193 4.412 20 0 DIADHM Cc1ccc(NC(=S)Nc2c([O-])cccc2F)cc1Cl ZINC001245847087 1058551457 /nfs/dbraw/zinc/55/14/57/1058551457.db2.gz PZOYDCBBUUCHNB-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC2(C)CCC(C)CC2)c1 ZINC001556479308 1058600167 /nfs/dbraw/zinc/60/01/67/1058600167.db2.gz BCGVKJRPASELDE-UHFFFAOYSA-N -1 3 307.459 4.060 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)c([O-])c1 ZINC001556560207 1058612457 /nfs/dbraw/zinc/61/24/57/1058612457.db2.gz BISSKJYOGXYCFO-NRFANRHFSA-N -1 3 323.436 4.285 20 0 DIADHM O=C(NCc1cc2ccccc2[nH]1)c1cc2sccc2c([O-])c1 ZINC001556587193 1058614018 /nfs/dbraw/zinc/61/40/18/1058614018.db2.gz WTBZVYHGPHHPJZ-UHFFFAOYSA-N -1 3 322.389 4.018 20 0 DIADHM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)[N-]OC1CCC1 ZINC001556659945 1058626948 /nfs/dbraw/zinc/62/69/48/1058626948.db2.gz AASYUVNEPQVEFN-UHFFFAOYSA-N -1 3 321.420 4.181 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1sccc1C(F)F ZINC001556783952 1058642504 /nfs/dbraw/zinc/64/25/04/1058642504.db2.gz GFBKORBNYKUAJZ-UHFFFAOYSA-N -1 3 303.717 4.297 20 0 DIADHM CC1(C)CCC[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001556739292 1058634852 /nfs/dbraw/zinc/63/48/52/1058634852.db2.gz KDMODOKNXWRBOS-LBPRGKRZSA-N -1 3 303.427 4.163 20 0 DIADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001556806361 1058645771 /nfs/dbraw/zinc/64/57/71/1058645771.db2.gz JXKOBNNGOUDZRD-HUUCEWRRSA-N -1 3 319.445 4.222 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1[O-] ZINC001556872232 1058660679 /nfs/dbraw/zinc/66/06/79/1058660679.db2.gz JMCXEEKIXLHNQV-GOSISDBHSA-N -1 3 321.376 4.067 20 0 DIADHM CCc1cccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC001556878369 1058665054 /nfs/dbraw/zinc/66/50/54/1058665054.db2.gz DTQCELAPXNKWKU-VCBZYWHSSA-N -1 3 323.436 4.361 20 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BYUHKWIMPNDKHD-UHFFFAOYSA-N -1 3 313.328 4.239 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(F)c2C(C)(F)F)c([O-])c1 ZINC001558025736 1058830514 /nfs/dbraw/zinc/83/05/14/1058830514.db2.gz BCPARYCXFHCUFZ-UHFFFAOYSA-N -1 3 323.314 4.458 20 0 DIADHM O=C(Nc1ncsc1C1CC1)c1cc2sccc2c([O-])c1 ZINC001558175004 1058846964 /nfs/dbraw/zinc/84/69/64/1058846964.db2.gz XJBUCTDHPMWWFT-UHFFFAOYSA-N -1 3 316.407 4.193 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)c([O-])c1 ZINC001558307956 1058859861 /nfs/dbraw/zinc/85/98/61/1058859861.db2.gz ZELYIXIQZYZOGE-UHFFFAOYSA-N -1 3 321.376 4.281 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(F)c(Cl)cc2OC)c1[O-] ZINC001558546686 1058881544 /nfs/dbraw/zinc/88/15/44/1058881544.db2.gz QKUPHOMHOCKBON-UHFFFAOYSA-N -1 3 323.751 4.008 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001558599584 1058889372 /nfs/dbraw/zinc/88/93/72/1058889372.db2.gz FVSFQLFSZMKGGU-KRWDZBQOSA-N -1 3 323.436 4.357 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@@]3(C)C2)c([O-])c1 ZINC001558609654 1058890025 /nfs/dbraw/zinc/89/00/25/1058890025.db2.gz REJWVNUODMYZTL-NVALYEJGSA-N -1 3 313.441 4.024 20 0 DIADHM CCCCOc1ccc(C(=O)NC2CC(C(C)(C)C)C2)c([O-])c1 ZINC001558990701 1058936427 /nfs/dbraw/zinc/93/64/27/1058936427.db2.gz MPJHMJVRJYUZQI-UHFFFAOYSA-N -1 3 319.445 4.126 20 0 DIADHM [O-]c1cccc(Cl)c1NC(=S)Nc1c(F)cccc1F ZINC001247080685 1059292157 /nfs/dbraw/zinc/29/21/57/1059292157.db2.gz MSHHWYQYCAQDON-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM [O-]c1ccc(Cc2nc(-c3cccc4ccccc43)no2)cc1F ZINC001247563971 1059547703 /nfs/dbraw/zinc/54/77/03/1059547703.db2.gz BLGNFTKYKSGTRI-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1c([N-]C(=O)c2nc(C(C)(C)C)cs2)noc1C(C)(C)C ZINC001532477838 1059638630 /nfs/dbraw/zinc/63/86/30/1059638630.db2.gz SJACUYGNRVFDTL-UHFFFAOYSA-N -1 3 321.446 4.287 20 0 DIADHM Cc1cccc(-c2noc(Cc3ccc([O-])cc3F)n2)c1Cl ZINC001248141673 1059737481 /nfs/dbraw/zinc/73/74/81/1059737481.db2.gz DVOAFUKJLQVLFN-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)cc1Cl ZINC001248141720 1059738879 /nfs/dbraw/zinc/73/88/79/1059738879.db2.gz FNWKLKJCZAASDG-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM [O-]c1cccc(Cl)c1NC(=S)Nc1cc(F)ccc1F ZINC001248589477 1059904398 /nfs/dbraw/zinc/90/43/98/1059904398.db2.gz MRMLRUSHKXGOMG-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM C[C@@H](NC(=S)Nc1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC001249603807 1060310995 /nfs/dbraw/zinc/31/09/95/1060310995.db2.gz KQEPKZNIMIOXTQ-SECBINFHSA-N -1 3 324.808 4.232 20 0 DIADHM O=C([N-][C@@H]1C=CCCC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001534730964 1060353396 /nfs/dbraw/zinc/35/33/96/1060353396.db2.gz OYAMWHVHDXPLII-SNVBAGLBSA-N -1 3 320.166 4.310 20 0 DIADHM Cn1cc(Nc2cc(Cl)c([O-])cc2Cl)c2ccncc21 ZINC001249699193 1060355488 /nfs/dbraw/zinc/35/54/88/1060355488.db2.gz UYMFDUPEDFWHJF-UHFFFAOYSA-N -1 3 308.168 4.329 20 0 DIADHM Cc1cc2c(ccc(N)c2F)n1-c1cc(Cl)c([O-])cc1F ZINC001250025905 1060552109 /nfs/dbraw/zinc/55/21/09/1060552109.db2.gz HXFONGYXJAXIIA-UHFFFAOYSA-N -1 3 308.715 4.158 20 0 DIADHM O=c1cc(Nc2c(F)ccc(Cl)c2F)n(C2CCCC2)[n-]1 ZINC001250086199 1060596037 /nfs/dbraw/zinc/59/60/37/1060596037.db2.gz DBIPFUSNYVILAR-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM CCc1cc(Nc2cccc([O-])c2Br)ccc1OC ZINC001250179853 1060662031 /nfs/dbraw/zinc/66/20/31/1060662031.db2.gz JFFUOPROWZMCCC-UHFFFAOYSA-N -1 3 322.202 4.469 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ccc(C(F)(F)F)cn1 ZINC001250450796 1060811372 /nfs/dbraw/zinc/81/13/72/1060811372.db2.gz ONYCGDOCIGHMEB-UHFFFAOYSA-N -1 3 323.192 4.372 20 0 DIADHM CCn1c(-c2cc(Cl)ccc2[O-])nc2ccc(F)c(F)c21 ZINC001250458025 1060816906 /nfs/dbraw/zinc/81/69/06/1060816906.db2.gz IZMRSPMATZIHDP-UHFFFAOYSA-N -1 3 308.715 4.360 20 0 DIADHM CSc1ccc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2c1 ZINC001250645714 1060985636 /nfs/dbraw/zinc/98/56/36/1060985636.db2.gz YQXCWOURPWNTOR-UHFFFAOYSA-N -1 3 307.378 4.206 20 0 DIADHM CSc1ccc2nc(-c3cc4ccccc4[nH]c3=O)[n-]c2c1 ZINC001250645714 1060985657 /nfs/dbraw/zinc/98/56/57/1060985657.db2.gz YQXCWOURPWNTOR-UHFFFAOYSA-N -1 3 307.378 4.206 20 0 DIADHM CC(C)c1nc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)cs1 ZINC001250733818 1061047389 /nfs/dbraw/zinc/04/73/89/1061047389.db2.gz ZIQIZQZVIKOWOM-UHFFFAOYSA-N -1 3 315.295 4.366 20 0 DIADHM C[C@H](NCc1ccc([O-])c(F)c1F)c1cccc(C2CC2)c1 ZINC001462278089 1061071464 /nfs/dbraw/zinc/07/14/64/1061071464.db2.gz KRDNOWHDMUNLCT-NSHDSACASA-N -1 3 303.352 4.399 20 0 DIADHM Cc1ccc2[nH]c(-c3c([O-])cccc3Br)nc2c1F ZINC001250843334 1061092336 /nfs/dbraw/zinc/09/23/36/1061092336.db2.gz HSFPXHZSIMBQCH-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM Cc1cc2[nH]c(-c3c([O-])cccc3Br)nc2c(C)c1 ZINC001250843252 1061092535 /nfs/dbraw/zinc/09/25/35/1061092535.db2.gz GWEXVOBGDXNOMZ-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM Cc1cc2nc(-c3c([O-])cccc3Br)[nH]c2c(C)c1 ZINC001250843252 1061092548 /nfs/dbraw/zinc/09/25/48/1061092548.db2.gz GWEXVOBGDXNOMZ-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM [O-]c1cnccc1-c1nc2c(cccc2Oc2ccccc2)[nH]1 ZINC001250857930 1061096405 /nfs/dbraw/zinc/09/64/05/1061096405.db2.gz MKDUIRWRNBHVDQ-UHFFFAOYSA-N -1 3 303.321 4.123 20 0 DIADHM CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccncc1[O-] ZINC001250857262 1061096964 /nfs/dbraw/zinc/09/69/64/1061096964.db2.gz FFRPITZOILBDGN-UHFFFAOYSA-N -1 3 321.302 4.233 20 0 DIADHM CCn1c2cc(OC)ccc2nc1-c1cc([O-])cc(Cl)c1 ZINC001250906368 1061119463 /nfs/dbraw/zinc/11/94/63/1061119463.db2.gz MWCBLVNDVWXGTB-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM Fc1cc(F)c(F)c2[n-]c(-c3nc(C(F)(F)F)cs3)nc21 ZINC001250950878 1061140713 /nfs/dbraw/zinc/14/07/13/1061140713.db2.gz IFTWNDGQNSOFRG-UHFFFAOYSA-N -1 3 323.221 4.123 20 0 DIADHM COc1cccc2[nH]c(-c3c(Cl)cc([O-])cc3Cl)nc21 ZINC001250957952 1061145188 /nfs/dbraw/zinc/14/51/88/1061145188.db2.gz YBQIMZKPESQWFB-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM [O-]c1cc(F)c(-c2nc3ccc(-c4ccncc4)cc3[nH]2)c(F)c1 ZINC001251007396 1061178240 /nfs/dbraw/zinc/17/82/40/1061178240.db2.gz KKFFLQTYEWQBQS-UHFFFAOYSA-N -1 3 323.302 4.276 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1cscc1Cl ZINC001455413505 1061223468 /nfs/dbraw/zinc/22/34/68/1061223468.db2.gz SQUVHINNCQLBAT-UHFFFAOYSA-N -1 3 313.781 4.208 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc3ccccc3c(OC)c2)c1 ZINC001456179281 1061282191 /nfs/dbraw/zinc/28/21/91/1061282191.db2.gz RWCOPTIXOGISIR-UHFFFAOYSA-N -1 3 321.376 4.369 20 0 DIADHM [O-]c1ccc(F)c(F)c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001251319239 1061313675 /nfs/dbraw/zinc/31/36/75/1061313675.db2.gz VKENNUVSZPRXTC-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cn1c2ccc(F)cc2nc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001251348976 1061329635 /nfs/dbraw/zinc/32/96/35/1061329635.db2.gz HOQBABSFDBJPHR-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM Cn1c2cc(F)ccc2nc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001251349915 1061331005 /nfs/dbraw/zinc/33/10/05/1061331005.db2.gz YDTQRMRHNRUGGC-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM COc1cc([O-])c(-c2nc3c(cc(C)cc3C)[nH]2)c(Cl)c1 ZINC001251491359 1061378215 /nfs/dbraw/zinc/37/82/15/1061378215.db2.gz RBEGWRWGXIPRFB-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(C)cc(C)c3[nH]2)c(Cl)c1 ZINC001251491359 1061378231 /nfs/dbraw/zinc/37/82/31/1061378231.db2.gz RBEGWRWGXIPRFB-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM COc1cc([O-])c(-c2nc3c(ccc(F)c3C)[nH]2)c(Cl)c1 ZINC001251491010 1061379069 /nfs/dbraw/zinc/37/90/69/1061379069.db2.gz FDWVISGVSQJAKU-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM Cc1cc([O-])c(-c2nc3c(cccc3F)[nH]2)cc1Br ZINC001251644284 1061428875 /nfs/dbraw/zinc/42/88/75/1061428875.db2.gz DYXVWDQULPYTFL-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM Cc1cccc2nc(-c3c(Br)ccc([O-])c3F)[nH]c21 ZINC001251729866 1061461456 /nfs/dbraw/zinc/46/14/56/1061461456.db2.gz UYAFWHTVTSATOB-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H]1C ZINC001463575191 1061499129 /nfs/dbraw/zinc/49/91/29/1061499129.db2.gz RVRKRMHZFQZLFD-UHIISALHSA-N -1 3 303.427 4.161 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC001457801288 1061505491 /nfs/dbraw/zinc/50/54/91/1061505491.db2.gz FKXJWZNEMPPASA-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC001463627558 1061506656 /nfs/dbraw/zinc/50/66/56/1061506656.db2.gz VKGNNUMSRDPAAM-UHFFFAOYSA-N -1 3 321.829 4.040 20 0 DIADHM CCc1cccc(C(=O)Nc2nc(-c3ccccc3)cs2)c1[O-] ZINC001463711589 1061514568 /nfs/dbraw/zinc/51/45/68/1061514568.db2.gz NLHCPUWLTMWWGV-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CCCC[C@@H](O)CNc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001252102795 1061572425 /nfs/dbraw/zinc/57/24/25/1061572425.db2.gz LTIAJPLTYOXRME-SECBINFHSA-N -1 3 306.233 4.224 20 0 DIADHM CCCCOc1ccccc1NC(=O)c1cccc(CC)c1[O-] ZINC001464406671 1061589400 /nfs/dbraw/zinc/58/94/00/1061589400.db2.gz BPNFUCRXFWNRCF-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)cc1 ZINC001252178411 1061602748 /nfs/dbraw/zinc/60/27/48/1061602748.db2.gz GOORBPNXGCKWAE-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CC(C)(NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001464585135 1061610880 /nfs/dbraw/zinc/61/08/80/1061610880.db2.gz SZKHZAMQWKITHC-UHFFFAOYSA-N -1 3 311.406 4.272 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3ccc(C)nc32)c1 ZINC001464795316 1061634072 /nfs/dbraw/zinc/63/40/72/1061634072.db2.gz WUJUBYGCUXFGFL-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM CCc1ccc(-c2nnc(-c3cc([O-])ccc3Cl)o2)cc1 ZINC001252954343 1061760554 /nfs/dbraw/zinc/76/05/54/1061760554.db2.gz ZFVGOCANVFMJEY-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c1 ZINC001465598219 1061784291 /nfs/dbraw/zinc/78/42/91/1061784291.db2.gz MEZPCHPSLWJIHN-QWHCGFSZSA-N -1 3 315.438 4.036 20 0 DIADHM [O-]c1cc(-c2nnc(-c3ccccc3)o2)cc(C(F)(F)F)c1 ZINC001253138588 1061821798 /nfs/dbraw/zinc/82/17/98/1061821798.db2.gz ZEXHDANFHWNOIU-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)c2occc21 ZINC001466119179 1061879237 /nfs/dbraw/zinc/87/92/37/1061879237.db2.gz USXBIQPFUORTSI-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM O=C(/C=C/Sc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001466257287 1061906392 /nfs/dbraw/zinc/90/63/92/1061906392.db2.gz AFIAKOMHAFFTIY-CMDGGOBGSA-N -1 3 305.786 4.290 20 0 DIADHM CC(C)C[C@@H](C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001466294030 1061913373 /nfs/dbraw/zinc/91/33/73/1061913373.db2.gz MDPXRNWJAVPAKG-GFCCVEGCSA-N -1 3 317.351 4.326 20 0 DIADHM [O-]c1cc(-c2nnc(Cc3ccccc3)o2)cc(C(F)(F)F)c1 ZINC001253590235 1061934338 /nfs/dbraw/zinc/93/43/38/1061934338.db2.gz WWDVTCRCLYYYAB-UHFFFAOYSA-N -1 3 320.270 4.052 20 0 DIADHM Cc1cccc(-c2nnc(-c3c([O-])cnc4ccc(C)cc43)o2)c1 ZINC001253629077 1061944564 /nfs/dbraw/zinc/94/45/64/1061944564.db2.gz YDWXEHYQWPHFAQ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cccc(-c2nnc(-c3cc4cc(O)ccc4cc3[O-])o2)c1 ZINC001253628977 1061944877 /nfs/dbraw/zinc/94/48/77/1061944877.db2.gz VGSICNGHGYTNLH-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM [O-]c1cnc2ccccc2c1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253740817 1061967925 /nfs/dbraw/zinc/96/79/25/1061967925.db2.gz JZMKCRBFLKTCJD-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(F)F)c(F)c1 ZINC001466630906 1061977369 /nfs/dbraw/zinc/97/73/69/1061977369.db2.gz DFIGKPLOLKLFFU-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc2c(ccnc2Cl)s1 ZINC001466630837 1061977632 /nfs/dbraw/zinc/97/76/32/1061977632.db2.gz BFJJVVMETDUGFO-UHFFFAOYSA-N -1 3 322.748 4.047 20 0 DIADHM [O-]c1cc(-c2nnc(-c3cccc(F)c3)o2)cc(C(F)(F)F)c1 ZINC001254209926 1062049010 /nfs/dbraw/zinc/04/90/10/1062049010.db2.gz WGWFQUVFGDHPIO-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(Cc3ccccc3Cl)o2)c1 ZINC001254398423 1062095464 /nfs/dbraw/zinc/09/54/64/1062095464.db2.gz RNWLSXFUKGGHLS-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM C[C@H](NC(=O)c1ccccc1[O-])c1cc(Cl)ccc1Cl ZINC001467309499 1062107957 /nfs/dbraw/zinc/10/79/57/1062107957.db2.gz MHCZOCFZXRYNEH-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM CSc1ccccc1[C@@H](C)NCc1ccc([O-])c(F)c1F ZINC001474471312 1062152632 /nfs/dbraw/zinc/15/26/32/1062152632.db2.gz KTXJPOKHALUSTD-SNVBAGLBSA-N -1 3 309.381 4.243 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c1 ZINC001467620116 1062159149 /nfs/dbraw/zinc/15/91/49/1062159149.db2.gz ZLHUEIISQDKEMU-MAUKXSAKSA-N -1 3 323.436 4.281 20 0 DIADHM CCOc1cccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c1[O-] ZINC001254699746 1062236623 /nfs/dbraw/zinc/23/66/23/1062236623.db2.gz ZXMKQGRJDHLHMI-CABCVRRESA-N -1 3 322.364 4.112 20 0 DIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC001254800582 1062252521 /nfs/dbraw/zinc/25/25/21/1062252521.db2.gz OLEYEXFKCFEIMM-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM CC(C)c1ccc(-c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001254851343 1062266526 /nfs/dbraw/zinc/26/65/26/1062266526.db2.gz QEBCELXCHDZTJE-UHFFFAOYSA-N -1 3 312.344 4.296 20 0 DIADHM Cc1cc(O)cc([O-])c1-c1nnc(-c2ccc(C(C)C)cc2)o1 ZINC001254898976 1062275670 /nfs/dbraw/zinc/27/56/70/1062275670.db2.gz MVTWULQQISTKEL-UHFFFAOYSA-N -1 3 310.353 4.247 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3cc(N(C)C)ccc3c2)c1[O-] ZINC001468259542 1062289128 /nfs/dbraw/zinc/28/91/28/1062289128.db2.gz DHXLUDJKKBVIAI-UHFFFAOYSA-N -1 3 320.392 4.172 20 0 DIADHM CCc1ccc(C(=O)NCC2(c3ccc(C)cc3C)CC2)c([O-])c1 ZINC001468472358 1062331302 /nfs/dbraw/zinc/33/13/02/1062331302.db2.gz ZZSRWOFIFXPIIR-UHFFFAOYSA-N -1 3 323.436 4.033 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001468497033 1062334046 /nfs/dbraw/zinc/33/40/46/1062334046.db2.gz JIIYYXAYUJCOJC-ZDUSSCGKSA-N -1 3 319.376 4.112 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2F)c1[O-] ZINC001468602786 1062362678 /nfs/dbraw/zinc/36/26/78/1062362678.db2.gz WPMHTKCPAUXFRF-UHFFFAOYSA-N -1 3 323.323 4.139 20 0 DIADHM CC[C@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccc(C)cc1 ZINC001469937871 1062664376 /nfs/dbraw/zinc/66/43/76/1062664376.db2.gz QDBCIEOJXWAZFO-CQSZACIVSA-N -1 3 301.361 4.128 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)CC12CCC2 ZINC001546182070 1062841856 /nfs/dbraw/zinc/84/18/56/1062841856.db2.gz QIRCUERWFOUZMG-LBPRGKRZSA-N -1 3 315.438 4.259 20 0 DIADHM Cc1cccc2c1[C@H](OC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC001460499011 1062885647 /nfs/dbraw/zinc/88/56/47/1062885647.db2.gz QSAORKUPDIVOMQ-CQSZACIVSA-N -1 3 318.756 4.035 20 0 DIADHM Cc1cccc2c1[C@@H](OC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC001460499008 1062886254 /nfs/dbraw/zinc/88/62/54/1062886254.db2.gz QSAORKUPDIVOMQ-AWEZNQCLSA-N -1 3 318.756 4.035 20 0 DIADHM CCCSc1cccc(NC(=O)c2cc(CC)ccc2[O-])n1 ZINC001470987692 1062905440 /nfs/dbraw/zinc/90/54/40/1062905440.db2.gz LENQQQLYNODKIU-UHFFFAOYSA-N -1 3 316.426 4.104 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])cc(Cl)c3)o2)cc1C ZINC001256598819 1062909938 /nfs/dbraw/zinc/90/99/38/1062909938.db2.gz KNNHGGLEUDUATI-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM [O-]c1ccc(Cc2nnc(CCC3CCCCC3)o2)c(F)c1 ZINC001256817383 1062999137 /nfs/dbraw/zinc/99/91/37/1062999137.db2.gz XQQHFEAUPNGFOY-UHFFFAOYSA-N -1 3 304.365 4.018 20 0 DIADHM O=C(NCCC1CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471688231 1063016149 /nfs/dbraw/zinc/01/61/49/1063016149.db2.gz XKJXWBRGMGJFFS-UHFFFAOYSA-N -1 3 311.381 4.105 20 0 DIADHM O=C(NCCC1CC=CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001471761089 1063021531 /nfs/dbraw/zinc/02/15/31/1063021531.db2.gz CXSIXHQSPAVCQT-UHFFFAOYSA-N -1 3 323.392 4.271 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC001472220854 1063059218 /nfs/dbraw/zinc/05/92/18/1063059218.db2.gz JOGULBUWNGTWJJ-GFCCVEGCSA-N -1 3 301.361 4.146 20 0 DIADHM COc1cccc(-c2nnc([C@H]3C[C@@H]3c3ccc(C)cc3)o2)c1[O-] ZINC001257208707 1063137797 /nfs/dbraw/zinc/13/77/97/1063137797.db2.gz DIPWBACLLSZNOY-CABCVRRESA-N -1 3 322.364 4.030 20 0 DIADHM COc1ccc([O-])c(-c2nnc([C@@H]3C[C@@H]3c3ccc(C)cc3)o2)c1 ZINC001257209552 1063141110 /nfs/dbraw/zinc/14/11/10/1063141110.db2.gz LRMUVLYUMFUZCW-HUUCEWRRSA-N -1 3 322.364 4.030 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001257322823 1063201173 /nfs/dbraw/zinc/20/11/73/1063201173.db2.gz AXRVPRWKFSPZQY-UONOGXRCSA-N -1 3 322.364 4.036 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3c(C)cc(O)cc3[O-])o2)cc1 ZINC001257334580 1063216605 /nfs/dbraw/zinc/21/66/05/1063216605.db2.gz NHAKYORQWXRBIV-HUUCEWRRSA-N -1 3 322.364 4.036 20 0 DIADHM [O-]c1ccccc1-c1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001257612156 1063350348 /nfs/dbraw/zinc/35/03/48/1063350348.db2.gz VPFWHESCRVYMRO-KBPBESRZSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccccc1-c1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)o1 ZINC001257612166 1063350590 /nfs/dbraw/zinc/35/05/90/1063350590.db2.gz VPFWHESCRVYMRO-KGLIPLIRSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc(-c3ccc4c(c3)CCC4)o2)c1 ZINC001258175526 1063546315 /nfs/dbraw/zinc/54/63/15/1063546315.db2.gz XJNUMPUUEJJBRJ-UHFFFAOYSA-N -1 3 312.756 4.251 20 0 DIADHM COc1ccc2cc([O-])c(-c3nnc(CCC(C)C)o3)cc2c1 ZINC001258282763 1063586885 /nfs/dbraw/zinc/58/68/85/1063586885.db2.gz NKFJZAQISITRFN-UHFFFAOYSA-N -1 3 312.369 4.193 20 0 DIADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1c(F)cc(F)cc1F ZINC001515019757 1063641002 /nfs/dbraw/zinc/64/10/02/1063641002.db2.gz 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CCc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c1[O-] ZINC001291719948 1064741925 /nfs/dbraw/zinc/74/19/25/1064741925.db2.gz YIMYTUNAXLRFLI-GOSISDBHSA-N -1 3 311.425 4.472 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1[O-] ZINC001292677468 1064783227 /nfs/dbraw/zinc/78/32/27/1064783227.db2.gz PIYXVCHKUFKCAM-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CCSC)cc2)c1 ZINC001292743956 1064786887 /nfs/dbraw/zinc/78/68/87/1064786887.db2.gz VXQLMDBYHXKEGE-UHFFFAOYSA-N -1 3 315.438 4.112 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)c([O-])c1C ZINC001293359836 1064809891 /nfs/dbraw/zinc/80/98/91/1064809891.db2.gz PCKWTJMIJLGXSQ-UHFFFAOYSA-N -1 3 311.381 4.050 20 0 DIADHM CCc1cccc(C(=O)N[C@H](CC2CC2)c2ccccc2)c1[O-] ZINC001293598219 1064822677 /nfs/dbraw/zinc/82/26/77/1064822677.db2.gz QEWXUQXIEWWJLT-GOSISDBHSA-N -1 3 309.409 4.226 20 0 DIADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c(C)cccc2[O-])C1 ZINC001293841866 1064834206 /nfs/dbraw/zinc/83/42/06/1064834206.db2.gz 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CCc1ccc(N(CC2CC2)C(=O)c2ccc(C)cc2[O-])cc1 ZINC001298147519 1064999164 /nfs/dbraw/zinc/99/91/64/1064999164.db2.gz JHNIZPOBYBTFCI-UHFFFAOYSA-N -1 3 309.409 4.320 20 0 DIADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC001298549695 1065008786 /nfs/dbraw/zinc/00/87/86/1065008786.db2.gz AXOKHBKCQSHGSI-UONOGXRCSA-N -1 3 315.800 4.350 20 0 DIADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001298550191 1065009238 /nfs/dbraw/zinc/00/92/38/1065009238.db2.gz GZBSXRFIOXGXJZ-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM CC[C@H](C)c1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC001298745021 1065019904 /nfs/dbraw/zinc/01/99/04/1065019904.db2.gz ZAZUEVYQHCMPNL-LBPRGKRZSA-N -1 3 311.381 4.361 20 0 DIADHM CC[C@H](C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001301074427 1065051617 /nfs/dbraw/zinc/05/16/17/1065051617.db2.gz XTZRCLOXGWXGRI-LBPRGKRZSA-N -1 3 301.361 4.226 20 0 DIADHM CCc1ccc2c(c1)CCN2C(=O)c1cc2sccc2c([O-])c1 ZINC001305105615 1065152571 /nfs/dbraw/zinc/15/25/71/1065152571.db2.gz 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/nfs/dbraw/zinc/13/29/65/1066132965.db2.gz YEXPXVLZLQLMJG-BBATYDOGSA-N -1 3 303.352 4.084 20 0 DIADHM Cc1ccccc1[C@@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001308719029 1066197213 /nfs/dbraw/zinc/19/72/13/1066197213.db2.gz VRZAUGQGSGHGTI-GOSISDBHSA-N -1 3 321.342 4.050 20 0 DIADHM Cc1ccc([C@H](NCc2ccc([O-])c(F)c2)c2ccccn2)cc1 ZINC001308736604 1066210939 /nfs/dbraw/zinc/21/09/39/1066210939.db2.gz SEACMLCNQIYGRB-FQEVSTJZSA-N -1 3 322.383 4.114 20 0 DIADHM CCc1ccc(Br)c(NCc2ccc([O-])c(F)c2)c1 ZINC001308927429 1066402701 /nfs/dbraw/zinc/40/27/01/1066402701.db2.gz HSLZVWJCEFPCNS-UHFFFAOYSA-N -1 3 324.193 4.468 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC(C)C)sc1Cl ZINC001309271103 1066451163 /nfs/dbraw/zinc/45/11/63/1066451163.db2.gz MWRGWNHJRAMYSF-UHFFFAOYSA-N -1 3 323.911 4.061 20 0 DIADHM CC(C)(CCCNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417553322 334967078 /nfs/dbraw/zinc/96/70/78/334967078.db2.gz APAKRBVROPBLAL-UHFFFAOYSA-N -1 3 310.246 4.036 20 0 DIADHM Cc1cc(Cl)cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000417566642 334990986 /nfs/dbraw/zinc/99/09/86/334990986.db2.gz REUJTURSRJNJIG-SUMWQHHRSA-N -1 3 317.816 4.200 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CN[C@@H](C)[C@H](C)C(=O)[O-] ZINC000417594765 335001465 /nfs/dbraw/zinc/00/14/65/335001465.db2.gz ASVVDDXZXCKZKY-QWRGUYRKSA-N -1 3 315.866 4.039 20 0 DIADHM Cc1cc(C)c(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000417618991 335013015 /nfs/dbraw/zinc/01/30/15/335013015.db2.gz KFOIGAAIVNKXGN-RBUKOAKNSA-N -1 3 309.409 4.015 20 0 DIADHM Cc1cc(C)c(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000417618990 335013108 /nfs/dbraw/zinc/01/31/08/335013108.db2.gz KFOIGAAIVNKXGN-OALUTQOASA-N -1 3 309.409 4.015 20 0 DIADHM C[C@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000008911089 181590865 /nfs/dbraw/zinc/59/08/65/181590865.db2.gz YEMBSFCPIQUQPT-NSHDSACASA-N -1 3 321.829 4.306 20 0 DIADHM Cc1cc(C)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000417628226 335016626 /nfs/dbraw/zinc/01/66/26/335016626.db2.gz VUZAWUBJLBBAQG-MJGOQNOKSA-N -1 3 309.409 4.015 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417628182 335016645 /nfs/dbraw/zinc/01/66/45/335016645.db2.gz OZFNXKPTOAQNOG-SJORKVTESA-N -1 3 315.800 4.051 20 0 DIADHM Cc1cc(Cl)cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417627183 335016362 /nfs/dbraw/zinc/01/63/62/335016362.db2.gz NYCCQBWSLZCXRB-DLBZAZTESA-N -1 3 315.800 4.051 20 0 DIADHM C[C@H](CC(C)(C)NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417628867 335018431 /nfs/dbraw/zinc/01/84/31/335018431.db2.gz AHYKBOGEQYWIAZ-MRVPVSSYSA-N -1 3 322.207 4.112 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c([O-])c1 ZINC000019232633 182110424 /nfs/dbraw/zinc/11/04/24/182110424.db2.gz GKBIXZOSZLQMRL-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM CCC[C@@H](CCCCNCc1cccc(Cl)c1F)C(=O)[O-] ZINC000417638083 335021956 /nfs/dbraw/zinc/02/19/56/335021956.db2.gz JDUNNTOXCIAROD-LBPRGKRZSA-N -1 3 315.816 4.240 20 0 DIADHM C[C@@H](CC(C)(C)NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417637497 335022115 /nfs/dbraw/zinc/02/21/15/335022115.db2.gz NGJOKVVOFQZJOK-ZETCQYMHSA-N -1 3 310.246 4.034 20 0 DIADHM CCSc1cccc(CNCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000417644354 335023991 /nfs/dbraw/zinc/02/39/91/335023991.db2.gz AHEGVYXRYVVPHJ-UHFFFAOYSA-N -1 3 315.438 4.095 20 0 DIADHM CCC[C@H](CCCCNCc1ccsc1Cl)C(=O)[O-] ZINC000417642184 335026039 /nfs/dbraw/zinc/02/60/39/335026039.db2.gz ULLZDKWCSFFEPL-LLVKDONJSA-N -1 3 303.855 4.162 20 0 DIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000274067875 130202800 /nfs/dbraw/zinc/20/28/00/130202800.db2.gz VXBDAQKIOVSAOE-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1ocnc1C1CC1 ZINC000288984901 131350161 /nfs/dbraw/zinc/35/01/61/131350161.db2.gz VKFSRUAAGVENED-UHFFFAOYSA-N -1 3 310.325 4.119 20 0 DIADHM Cc1cnc([C@@H](C)NCc2cc([O-])cc(C(F)(F)F)c2)s1 ZINC000289594217 131399758 /nfs/dbraw/zinc/39/97/58/131399758.db2.gz ULINXWXLLOCSBH-SECBINFHSA-N -1 3 316.348 4.027 20 0 DIADHM Cc1c([N-]C(=O)c2cc(C3CC3)no2)onc1C1CCCCC1 ZINC000297727058 132030791 /nfs/dbraw/zinc/03/07/91/132030791.db2.gz KCWVOYWTJZUCQN-UHFFFAOYSA-N -1 3 315.373 4.148 20 0 DIADHM O=C([O-])C[C@H](NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000340672467 132140501 /nfs/dbraw/zinc/14/05/01/132140501.db2.gz BVFLHLOPAZMBGS-HNNXBMFYSA-N -1 3 323.314 4.011 20 0 DIADHM CC(=O)c1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1C ZINC000194501660 335073541 /nfs/dbraw/zinc/07/35/41/335073541.db2.gz DHWULYJZQVNCBV-CYBMUJFWSA-N -1 3 323.392 4.057 20 0 DIADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000563867315 335077303 /nfs/dbraw/zinc/07/73/03/335077303.db2.gz FTSSINREUQPKQG-GOSISDBHSA-N -1 3 323.436 4.104 20 0 DIADHM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000175701259 332903273 /nfs/dbraw/zinc/90/32/73/332903273.db2.gz GNECEHMNNOUTBP-CHWSQXEVSA-N -1 3 317.816 4.310 20 0 DIADHM Cc1c(C(=O)Nc2ccc([O-])cc2F)oc2c1c(C)ccc2C ZINC000183243226 331550587 /nfs/dbraw/zinc/55/05/87/331550587.db2.gz 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331937322 /nfs/dbraw/zinc/93/73/22/331937322.db2.gz QWLWGYZKRYLVRE-JKSUJKDBSA-N -1 3 306.365 4.330 20 0 DIADHM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1cncs1 ZINC000410035727 332084240 /nfs/dbraw/zinc/08/42/40/332084240.db2.gz XZXGWMKKJUNIHZ-UHFFFAOYSA-N -1 3 314.341 4.327 20 0 DIADHM Cc1ccc(C)c(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426799663 332155184 /nfs/dbraw/zinc/15/51/84/332155184.db2.gz LPVINTQUMWKPCQ-KRWDZBQOSA-N -1 3 317.816 4.262 20 0 DIADHM CCC[C@@H](C)C[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426814292 332156990 /nfs/dbraw/zinc/15/69/90/332156990.db2.gz DWZIGXKXDFGKJY-YGRLFVJLSA-N -1 3 318.244 4.363 20 0 DIADHM O=C([O-])C[C@H](NCc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000426815449 332157401 /nfs/dbraw/zinc/15/74/01/332157401.db2.gz FQGCIRZANXFVTK-HNNXBMFYSA-N -1 3 324.207 4.299 20 0 DIADHM Cc1ccc(F)cc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426821211 332157603 /nfs/dbraw/zinc/15/76/03/332157603.db2.gz QXECQKXLHROPCK-INIZCTEOSA-N -1 3 321.779 4.093 20 0 DIADHM CCC[C@@H](C)C[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426823564 332157972 /nfs/dbraw/zinc/15/79/72/332157972.db2.gz JKEUYUZFYLCTCD-BXUZGUMPSA-N -1 3 323.820 4.455 20 0 DIADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cccc(F)c2)cc1 ZINC000426823573 332158048 /nfs/dbraw/zinc/15/80/48/332158048.db2.gz JLZGAKJTHVEJEX-SFHVURJKSA-N -1 3 315.388 4.255 20 0 DIADHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C1CCCC1 ZINC000426853245 332158446 /nfs/dbraw/zinc/15/84/46/332158446.db2.gz HGGQSSYSMBQRDC-SECBINFHSA-N -1 3 323.849 4.100 20 0 DIADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000426951325 332163021 /nfs/dbraw/zinc/16/30/21/332163021.db2.gz MSIZJAQJNKPHSL-CYBMUJFWSA-N -1 3 308.381 4.314 20 0 DIADHM CCc1cc(C(=O)N[C@@H](c2ccco2)c2ccccc2)ccc1[O-] ZINC000426990559 332164189 /nfs/dbraw/zinc/16/41/89/332164189.db2.gz MRNMHMHSWQXTBC-LJQANCHMSA-N -1 3 321.376 4.067 20 0 DIADHM C[C@H](CC(=O)Nc1cc(F)ccc1[O-])c1c[nH]c2ccccc21 ZINC000426994903 332164855 /nfs/dbraw/zinc/16/48/55/332164855.db2.gz 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/nfs/dbraw/zinc/43/22/13/332432213.db2.gz HEXFOLDCXKSVFE-NSHDSACASA-N -1 3 312.344 4.145 20 0 DIADHM C[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000448819708 332515230 /nfs/dbraw/zinc/51/52/30/332515230.db2.gz XOMBKTZDUPIBAE-HNNXBMFYSA-N -1 3 311.425 4.127 20 0 DIADHM COc1ccc([O-])c(-c2nc(C(C)(C)C3=CCCCC3)no2)c1 ZINC000562560202 332605031 /nfs/dbraw/zinc/60/50/31/332605031.db2.gz OTOQWMLZLVJMSA-UHFFFAOYSA-N -1 3 314.385 4.229 20 0 DIADHM CC(C)c1nc2cc(NCc3cc([O-])cc(F)c3)ccc2o1 ZINC000317079664 332688626 /nfs/dbraw/zinc/68/86/26/332688626.db2.gz ACOHYBQQDFRJKN-UHFFFAOYSA-N -1 3 300.333 4.408 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc([O-])ccc1Cl ZINC000580260723 333044025 /nfs/dbraw/zinc/04/40/25/333044025.db2.gz AXNYWTFEQHHTBU-YNEHKIRRSA-N -1 3 307.821 4.134 20 0 DIADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000460418456 333082767 /nfs/dbraw/zinc/08/27/67/333082767.db2.gz JHWSFWMESJUTMA-UHFFFAOYSA-N -1 3 309.818 4.264 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(F)c1 ZINC000460447688 333088537 /nfs/dbraw/zinc/08/85/37/333088537.db2.gz UWSCUFPNUFRFSD-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM Cc1cc([C@@H](C)N(C)CCCCc2ccccc2)oc1C(=O)[O-] ZINC000580319539 333146898 /nfs/dbraw/zinc/14/68/98/333146898.db2.gz OZBRXISUXQXAEY-OAHLLOKOSA-N -1 3 315.413 4.302 20 0 DIADHM COc1cc(Cl)ccc1-c1noc(-c2cccc(C)c2[O-])n1 ZINC000318977761 333237207 /nfs/dbraw/zinc/23/72/07/333237207.db2.gz ILILCKQZAPXNMT-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)ccc1[O-] ZINC000499841523 333315394 /nfs/dbraw/zinc/31/53/94/333315394.db2.gz PURWIZAZYVWROF-SFHVURJKSA-N -1 3 313.372 4.111 20 0 DIADHM Cc1cc(C(=O)Nc2ccnc(-c3ccccc3)c2)ccc1[O-] ZINC000499979581 333321381 /nfs/dbraw/zinc/32/13/81/333321381.db2.gz PDWCSTXFNRBMRP-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CC(C)Oc1cccc([C@H](C)NCc2cc([O-])cc(F)c2)c1 ZINC000184137378 333342537 /nfs/dbraw/zinc/34/25/37/333342537.db2.gz ZAGQEOIPHROBSO-ZDUSSCGKSA-N -1 3 303.377 4.169 20 0 DIADHM CS[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000531351393 333345615 /nfs/dbraw/zinc/34/56/15/333345615.db2.gz PJLAPUAPLAMOSO-OAHLLOKOSA-N -1 3 321.829 4.397 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(C)c1 ZINC000531393922 333349461 /nfs/dbraw/zinc/34/94/61/333349461.db2.gz FJIFGKDRPSHUMQ-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc(C(F)F)c1 ZINC000182288918 333355908 /nfs/dbraw/zinc/35/59/08/333355908.db2.gz FFPRLHQUVNYJOT-UHFFFAOYSA-N -1 3 311.715 4.164 20 0 DIADHM Cc1cccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1C ZINC000188389481 333365165 /nfs/dbraw/zinc/36/51/65/333365165.db2.gz JYVDKDRGOJEZCN-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Cc1ccc(F)cc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000188411005 333365738 /nfs/dbraw/zinc/36/57/38/333365738.db2.gz UAJAJPLJBXUCJE-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C(Nc1ccccc1Cl)c1cn[n-]c1-c1ccsc1 ZINC000186931092 333381438 /nfs/dbraw/zinc/38/14/38/333381438.db2.gz 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ZINC000302994424 334296066 /nfs/dbraw/zinc/29/60/66/334296066.db2.gz WVDNKZDZUBBQGQ-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000111210542 334306160 /nfs/dbraw/zinc/30/61/60/334306160.db2.gz FRUXRNQMCHVLBC-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM CC(C)(C)c1ncc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000049042013 334310839 /nfs/dbraw/zinc/31/08/39/334310839.db2.gz DUTVOLSWRJOKMR-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1[nH]c2ccccc2c1Cl ZINC000534708570 334331622 /nfs/dbraw/zinc/33/16/22/334331622.db2.gz GGVFMUKKKOVDAL-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000534729537 334332827 /nfs/dbraw/zinc/33/28/27/334332827.db2.gz YGANRRDUGRUMAG-UWVGGRQHSA-N -1 3 321.726 4.353 20 0 DIADHM CC(C)C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000534944601 334349992 /nfs/dbraw/zinc/34/99/92/334349992.db2.gz HCQWWPHURUYUIU-AWEZNQCLSA-N -1 3 301.361 4.300 20 0 DIADHM [O-]c1ccccc1-c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000111688949 334353867 /nfs/dbraw/zinc/35/38/67/334353867.db2.gz MTFPRMQOSIUGCQ-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM C[C@H](CC1CCCCC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000428061493 334725774 /nfs/dbraw/zinc/72/57/74/334725774.db2.gz NUWWBURBIXDEAV-CQSZACIVSA-N -1 3 321.436 4.329 20 0 DIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1coc2ccccc12 ZINC000113030215 334731703 /nfs/dbraw/zinc/73/17/03/334731703.db2.gz FHHWMNAOMNMUKT-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM CC[C@@H](C)[C@H](OC)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000331308097 334852747 /nfs/dbraw/zinc/85/27/47/334852747.db2.gz BHGYBRDLQCELBP-ABAIWWIYSA-N -1 3 308.422 4.030 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)c([O-])c1 ZINC000444375825 338471860 /nfs/dbraw/zinc/47/18/60/338471860.db2.gz JLIYYZPWQYJZSN-UHFFFAOYSA-N -1 3 323.436 4.319 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(F)c(C2CC2)c1 ZINC000343907331 335201322 /nfs/dbraw/zinc/20/13/22/335201322.db2.gz OGTDWYJMDTZPRW-UHFFFAOYSA-N -1 3 319.763 4.243 20 0 DIADHM CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000344125353 335219524 /nfs/dbraw/zinc/21/95/24/335219524.db2.gz KUDPUJJKDHRMBP-MRXNPFEDSA-N -1 3 303.789 4.317 20 0 DIADHM Cc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)cs1 ZINC000344737611 335272475 /nfs/dbraw/zinc/27/24/75/335272475.db2.gz OEGZTJUWASLURW-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)c2c([O-])cccc21 ZINC000345136984 335300276 /nfs/dbraw/zinc/30/02/76/335300276.db2.gz ORNRKCNURWZXIB-LLVKDONJSA-N -1 3 324.355 4.167 20 0 DIADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000457780367 335426290 /nfs/dbraw/zinc/42/62/90/335426290.db2.gz SLLRSNFKUFNUIK-VIFPVBQESA-N -1 3 303.324 4.217 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccn(C)c2C2CCC2)c2c([O-])cccc21 ZINC000346938901 335451598 /nfs/dbraw/zinc/45/15/98/335451598.db2.gz IBQKLARTKGVMOF-ZDUSSCGKSA-N -1 3 324.424 4.152 20 0 DIADHM COc1cc(C(=O)NC2CCC3(CCCCC3)CC2)ccc1[O-] ZINC000347186161 335476531 /nfs/dbraw/zinc/47/65/31/335476531.db2.gz JAZYDOYMAKXCOW-UHFFFAOYSA-N -1 3 317.429 4.024 20 0 DIADHM CCCCCc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000514521474 335646315 /nfs/dbraw/zinc/64/63/15/335646315.db2.gz MXYDKKHGFNTHOV-AWEZNQCLSA-N -1 3 315.417 4.155 20 0 DIADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1cccc([O-])c1F ZINC000535658863 335710653 /nfs/dbraw/zinc/71/06/53/335710653.db2.gz OWFHPUSDWQPXGK-UHFFFAOYSA-N -1 3 324.355 4.098 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1cccc([O-])c1F ZINC000519516337 335870833 /nfs/dbraw/zinc/87/08/33/335870833.db2.gz OMAWHOKJGKGPMI-STQMWFEESA-N -1 3 313.372 4.459 20 0 DIADHM Cc1cc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c(C)o1 ZINC000445859966 338513317 /nfs/dbraw/zinc/51/33/17/338513317.db2.gz UDTQPGWAAWPVQF-UHFFFAOYSA-N -1 3 306.321 4.472 20 0 DIADHM O=C([O-])c1coc(CN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000584356204 336122711 /nfs/dbraw/zinc/12/27/11/336122711.db2.gz CVKCKXBMGGMOGM-UHFFFAOYSA-N -1 3 319.788 4.011 20 0 DIADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532383105 336244303 /nfs/dbraw/zinc/24/43/03/336244303.db2.gz CVULJHGBJQWEQP-LLVKDONJSA-N -1 3 311.809 4.112 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cccc(Cl)c2F)c1[O-] ZINC000532438220 336247200 /nfs/dbraw/zinc/24/72/00/336247200.db2.gz ACFVRRSWIAXFAO-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM Cc1ccc(NC(=O)C(C)(C)c2ccccc2Cl)c([O-])c1 ZINC000532649276 336265820 /nfs/dbraw/zinc/26/58/20/336265820.db2.gz NLQKLUADYLLUNE-UHFFFAOYSA-N -1 3 303.789 4.270 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC000532837921 336272641 /nfs/dbraw/zinc/27/26/41/336272641.db2.gz TURWXNLTMDDRNT-CQSZACIVSA-N -1 3 301.773 4.104 20 0 DIADHM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cccc([O-])c1 ZINC000182603345 336273841 /nfs/dbraw/zinc/27/38/41/336273841.db2.gz JCBCYNFKBWXHSL-OAHLLOKOSA-N -1 3 324.424 4.332 20 0 DIADHM CC(C)c1noc([N-][C@H]2CCCc3cc(OC(F)F)ccc32)n1 ZINC000301331112 336300941 /nfs/dbraw/zinc/30/09/41/336300941.db2.gz LMQIZWPFFMECDE-ZDUSSCGKSA-N -1 3 323.343 4.284 20 0 DIADHM CC(C)CCn1ccc([N-]c2nc(C(F)(F)F)cs2)n1 ZINC000302023068 336343765 /nfs/dbraw/zinc/34/37/65/336343765.db2.gz JBKSUFSUTLVLGG-UHFFFAOYSA-N -1 3 304.341 4.148 20 0 DIADHM C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc([O-])c2Cl)C1 ZINC000352897455 336373906 /nfs/dbraw/zinc/37/39/06/336373906.db2.gz NALUBHWGWXDXCE-DOMZBBRYSA-N -1 3 302.805 4.024 20 0 DIADHM CCCCc1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000354925452 336488013 /nfs/dbraw/zinc/48/80/13/336488013.db2.gz FVYOKXZQEKTBSG-UHFFFAOYSA-N -1 3 319.361 4.018 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000357180445 336576181 /nfs/dbraw/zinc/57/61/81/336576181.db2.gz CRXKAKJHLPPTNO-LBPRGKRZSA-N -1 3 315.800 4.411 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000357444141 336585310 /nfs/dbraw/zinc/58/53/10/336585310.db2.gz SXBNMMLKCMBMRH-KRWDZBQOSA-N -1 3 317.335 4.038 20 0 DIADHM CCCOc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000361397369 336755328 /nfs/dbraw/zinc/75/53/28/336755328.db2.gz XPASTSAQDBTQKO-UHFFFAOYSA-N -1 3 316.307 4.069 20 0 DIADHM CCOCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(F)cc1 ZINC000361404567 336755589 /nfs/dbraw/zinc/75/55/89/336755589.db2.gz SUYWSYGCCZYNHW-UHFFFAOYSA-N -1 3 318.373 4.048 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N1CCC[C@H]1c1ccsc1 ZINC000119018492 336878014 /nfs/dbraw/zinc/87/80/14/336878014.db2.gz QIKQQPIYASXVCT-HNNXBMFYSA-N -1 3 321.829 4.013 20 0 DIADHM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1ccsc1Cl ZINC000376011890 337025166 /nfs/dbraw/zinc/02/51/66/337025166.db2.gz DDPVTKUPNQIBAS-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000426752053 337038501 /nfs/dbraw/zinc/03/85/01/337038501.db2.gz AMYMLOLNONGECY-MEDUHNTESA-N -1 3 321.779 4.031 20 0 DIADHM Cc1oc(CN2CCCC3(C2)CCCCCC3)cc1C(=O)[O-] ZINC000582671132 337119074 /nfs/dbraw/zinc/11/90/74/337119074.db2.gz GBKVQJSQXVCJKS-UHFFFAOYSA-N -1 3 305.418 4.223 20 0 DIADHM Cc1ccccc1[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000582740516 337128224 /nfs/dbraw/zinc/12/82/24/337128224.db2.gz PEDAEFWJYIPFIS-KRWDZBQOSA-N -1 3 317.816 4.481 20 0 DIADHM CCCc1ncc(C(=O)[N-]c2cc(-c3ccccc3)on2)s1 ZINC000175869472 337148643 /nfs/dbraw/zinc/14/86/43/337148643.db2.gz DQIMQZMYOAYPDN-UHFFFAOYSA-N -1 3 313.382 4.003 20 0 DIADHM C[C@@H]1CCCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582791072 337168577 /nfs/dbraw/zinc/16/85/77/337168577.db2.gz PBYMLRQRBDMCGL-YGRLFVJLSA-N -1 3 316.228 4.241 20 0 DIADHM CCc1noc(C)c1[N-]C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000181494990 337182593 /nfs/dbraw/zinc/18/25/93/337182593.db2.gz QUIVBZMPUKQRRN-UHFFFAOYSA-N -1 3 316.382 4.428 20 0 DIADHM Cc1cc(C)c(NC(=O)Cc2ccc([O-])cc2Cl)c(C)c1 ZINC000182158114 337186816 /nfs/dbraw/zinc/18/68/16/337186816.db2.gz ZDHLTVFIABLZQY-UHFFFAOYSA-N -1 3 303.789 4.152 20 0 DIADHM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cccc([O-])c1 ZINC000182252918 337187570 /nfs/dbraw/zinc/18/75/70/337187570.db2.gz YLLNPWPCNUSVCL-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM Cc1csc(-c2ccc(NC(=O)c3cccc([O-])c3)cc2)n1 ZINC000182288400 337187838 /nfs/dbraw/zinc/18/78/38/337187838.db2.gz WMQFNEPQSLRIFD-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc([O-])c1 ZINC000182293505 337187857 /nfs/dbraw/zinc/18/78/57/337187857.db2.gz KHDOSUJTQBGXBF-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1nc(SCc2ncccc2[O-])n(C2CCCCC2)c1C ZINC000582823594 337203348 /nfs/dbraw/zinc/20/33/48/337203348.db2.gz FQNRYKRENDWHGP-UHFFFAOYSA-N -1 3 317.458 4.398 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@H](C)CC)nc2)n1 ZINC000582997852 337226974 /nfs/dbraw/zinc/22/69/74/337226974.db2.gz YBTBRMSSZQGJPE-CHWSQXEVSA-N -1 3 314.433 4.043 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(C(F)(F)F)ccc3F)n2)cc1 ZINC000321306251 337255704 /nfs/dbraw/zinc/25/57/04/337255704.db2.gz GBQFYNLIEOIXEF-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCc3sccc32)c1[O-] ZINC000532916854 337304032 /nfs/dbraw/zinc/30/40/32/337304032.db2.gz BPYRTJPKKNKFND-LBPRGKRZSA-N -1 3 321.829 4.474 20 0 DIADHM CC1(c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)CC1 ZINC000584392720 337311400 /nfs/dbraw/zinc/31/14/00/337311400.db2.gz FJVKCMAZXDBXCY-UHFFFAOYSA-N -1 3 322.364 4.073 20 0 DIADHM Cc1cc([C@@H](C)N2CCCC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000583818199 337338558 /nfs/dbraw/zinc/33/85/58/337338558.db2.gz QRYNADOUGKYIEW-CQSZACIVSA-N -1 3 305.418 4.394 20 0 DIADHM CC(C)(C)O[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000124451169 337405526 /nfs/dbraw/zinc/40/55/26/337405526.db2.gz AQAXHVSDRDXOSF-INIZCTEOSA-N -1 3 317.360 4.026 20 0 DIADHM Cc1ocnc1C(=O)[N-]c1ccccc1SC1CCCC1 ZINC000128395302 337425160 /nfs/dbraw/zinc/42/51/60/337425160.db2.gz CDUBSPKSIFKGEA-UHFFFAOYSA-N -1 3 302.399 4.270 20 0 DIADHM Cc1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)o1 ZINC000078189373 337592378 /nfs/dbraw/zinc/59/23/78/337592378.db2.gz KVKGHDJIPAXXNO-UHFFFAOYSA-N -1 3 315.316 4.337 20 0 DIADHM CCOc1cc(-c2noc(/C=C(\C)C(C)(C)C)n2)ccc1[O-] ZINC000445425218 337726510 /nfs/dbraw/zinc/72/65/10/337726510.db2.gz BQXGJPVRGCWKSS-PKNBQFBNSA-N -1 3 302.374 4.290 20 0 DIADHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000527258086 337740633 /nfs/dbraw/zinc/74/06/33/337740633.db2.gz QNAKWJCTSBYDQX-GHMZBOCLSA-N -1 3 315.335 4.110 20 0 DIADHM O=S(=O)([N-]c1ccccc1Cl)c1cccc2ccccc21 ZINC000035685932 337744549 /nfs/dbraw/zinc/74/45/49/337744549.db2.gz UANOZYCEMUSRGQ-UHFFFAOYSA-N -1 3 317.797 4.294 20 0 DIADHM [O-]c1cccc(CN[C@H](c2ccccn2)C2CCC2)c1Cl ZINC000527771069 337762555 /nfs/dbraw/zinc/76/25/55/337762555.db2.gz IEVIFGXEECWJEV-KRWDZBQOSA-N -1 3 302.805 4.072 20 0 DIADHM O=C([N-]c1cccc(Cl)c1F)c1c(F)ccc(F)c1F ZINC000120390768 337874836 /nfs/dbraw/zinc/87/48/36/337874836.db2.gz IGBDZQVMYNDHEC-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000537644084 337955064 /nfs/dbraw/zinc/95/50/64/337955064.db2.gz IIQQTTLSMCWZPI-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2ccoc2)no1 ZINC000445460731 338020728 /nfs/dbraw/zinc/02/07/28/338020728.db2.gz BVGXFELMLVXASF-UHFFFAOYSA-N -1 3 318.332 4.293 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000426646000 338036869 /nfs/dbraw/zinc/03/68/69/338036869.db2.gz JRXCZNGVZRTNSC-JTQLQIEISA-N -1 3 304.217 4.117 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000426656502 338037312 /nfs/dbraw/zinc/03/73/12/338037312.db2.gz YMUVJHGPIRFXTM-SNVBAGLBSA-N -1 3 304.217 4.117 20 0 DIADHM CC(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426677221 338037790 /nfs/dbraw/zinc/03/77/90/338037790.db2.gz KLNYUVOSXLMGNX-INIZCTEOSA-N -1 3 303.427 4.177 20 0 DIADHM O=C([O-])C[C@@H](NCc1cc2ccccc2s1)c1ccsc1 ZINC000426678509 338038039 /nfs/dbraw/zinc/03/80/39/338038039.db2.gz QHXIKKAZNQQEIH-CQSZACIVSA-N -1 3 317.435 4.268 20 0 DIADHM CCc1cccc(Cl)c1CN[C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000426684644 338038099 /nfs/dbraw/zinc/03/80/99/338038099.db2.gz ALYCXRVQOGFKPV-CHWSQXEVSA-N -1 3 311.853 4.272 20 0 DIADHM CC(C)(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000426699962 338038430 /nfs/dbraw/zinc/03/84/30/338038430.db2.gz NHZXRGAMQDGOTR-CYBMUJFWSA-N -1 3 323.483 4.413 20 0 DIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1Cl ZINC000426700462 338038453 /nfs/dbraw/zinc/03/84/53/338038453.db2.gz RCQBKAAUGDENLC-AWEZNQCLSA-N -1 3 309.818 4.016 20 0 DIADHM Cc1ccc([C@H](NCc2cc3c(cc(C)cc3C)[nH]2)C(=O)[O-])cc1 ZINC000426711346 338038844 /nfs/dbraw/zinc/03/88/44/338038844.db2.gz ZRAKADVLAYIVCE-IBGZPJMESA-N -1 3 322.408 4.009 20 0 DIADHM Cc1cc2cc(CNCc3ccc(C(=O)[O-])cc3)oc2cc1C ZINC000426711173 338038896 /nfs/dbraw/zinc/03/88/96/338038896.db2.gz NYZPEZIELFUOHG-UHFFFAOYSA-N -1 3 309.365 4.038 20 0 DIADHM CC(C)c1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000426744800 338040333 /nfs/dbraw/zinc/04/03/33/338040333.db2.gz DQOXRXVLZQPEBQ-HNAYVOBHSA-N -1 3 311.425 4.362 20 0 DIADHM Cc1cc(C)c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000426751699 338040771 /nfs/dbraw/zinc/04/07/71/338040771.db2.gz XLBOBFMJLVKNRR-LPHOPBHVSA-N -1 3 311.425 4.163 20 0 DIADHM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426756135 338040940 /nfs/dbraw/zinc/04/09/40/338040940.db2.gz IEZVMOPCIHIINB-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426759247 338041120 /nfs/dbraw/zinc/04/11/20/338041120.db2.gz LPAZJQSOPVLIAJ-CYBMUJFWSA-N -1 3 323.820 4.455 20 0 DIADHM O=C([N-]c1ccc(Cl)cc1F)c1ncsc1C(F)(F)F ZINC000431044320 338121098 /nfs/dbraw/zinc/12/10/98/338121098.db2.gz IHRIZOFEQZMILQ-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM CCc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000431664177 338135878 /nfs/dbraw/zinc/13/58/78/338135878.db2.gz XMNBREBHDKREKB-NSHDSACASA-N -1 3 303.789 4.099 20 0 DIADHM O=c1[n-]c(-c2cscn2)nc2ccc(-c3ccccc3)cc12 ZINC000432511135 338158066 /nfs/dbraw/zinc/15/80/66/338158066.db2.gz BVRPJAHWYZZAPJ-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM Cc1ccc(F)c(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432692380 338163143 /nfs/dbraw/zinc/16/31/43/338163143.db2.gz COXAWANEXLUWAC-GHRIWEEISA-N -1 3 320.367 4.001 20 0 DIADHM CC1CCC(N(C(=O)c2cc([O-])ccc2Cl)C2CC2)CC1 ZINC000433100503 338181837 /nfs/dbraw/zinc/18/18/37/338181837.db2.gz BPLZIKWMIFFROS-UHFFFAOYSA-N -1 3 307.821 4.229 20 0 DIADHM C[C@H](c1ccco1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000433122753 338182286 /nfs/dbraw/zinc/18/22/86/338182286.db2.gz RXPBNSOTQGTBPW-SNVBAGLBSA-N -1 3 305.761 4.004 20 0 DIADHM CC(C)C1CCC(N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000433161612 338183538 /nfs/dbraw/zinc/18/35/38/338183538.db2.gz KLZZGQMCTWYGDB-UHFFFAOYSA-N -1 3 319.474 4.044 20 0 DIADHM Cc1ccccc1CC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000433355852 338193654 /nfs/dbraw/zinc/19/36/54/338193654.db2.gz XJAQAJWDHBPRRH-UHFFFAOYSA-N -1 3 317.816 4.105 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(CC1CC1)c1ccccc1 ZINC000433366770 338193874 /nfs/dbraw/zinc/19/38/74/338193874.db2.gz SQCQCGGXRNXJGO-UHFFFAOYSA-N -1 3 301.773 4.102 20 0 DIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2ccoc2Cl)c1F ZINC000433861249 338203626 /nfs/dbraw/zinc/20/36/26/338203626.db2.gz ZLEUONWLYAUJED-UHFFFAOYSA-N -1 3 306.095 4.425 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=CC=Cc2ccccc2OC)CC)n1 ZINC000435336657 338237226 /nfs/dbraw/zinc/23/72/26/338237226.db2.gz PSZUUHYPZYRQDQ-HRVWGNOLSA-N -1 3 324.424 4.238 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=CC=Cc2ccccc2OC)CC)n1 ZINC000435336659 338237285 /nfs/dbraw/zinc/23/72/85/338237285.db2.gz PSZUUHYPZYRQDQ-SGRTWXLRSA-N -1 3 324.424 4.238 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(Cl)c2)CC)n1 ZINC000435340130 338237523 /nfs/dbraw/zinc/23/75/23/338237523.db2.gz CQWMVSHEDOJWCC-SDQBBNPISA-N -1 3 320.795 4.466 20 0 DIADHM C[C@H]1[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[C@@H]1c1ccccc1 ZINC000435823846 338250511 /nfs/dbraw/zinc/25/05/11/338250511.db2.gz FSIYPNJZARERMR-TUFGIGEDSA-N -1 3 321.420 4.282 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4[nH]ccc4c3)no2)c1 ZINC000435952154 338253989 /nfs/dbraw/zinc/25/39/89/338253989.db2.gz JLXUYSCDOZOCMX-QPJJXVBHSA-N -1 3 303.321 4.094 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3nccc4ccccc43)no2)c1 ZINC000435949953 338254027 /nfs/dbraw/zinc/25/40/27/338254027.db2.gz UKENOQBHLXDXKY-CMDGGOBGSA-N -1 3 315.332 4.161 20 0 DIADHM CCOc1ccccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435952023 338254058 /nfs/dbraw/zinc/25/40/58/338254058.db2.gz HKZGJEVRHDWHGR-ZHACJKMWSA-N -1 3 308.337 4.011 20 0 DIADHM CSCc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435958816 338254224 /nfs/dbraw/zinc/25/42/24/338254224.db2.gz MLGKBYPVWUNRAI-JXMROGBWSA-N -1 3 324.405 4.476 20 0 DIADHM CCOCc1ccc(-c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435956668 338254275 /nfs/dbraw/zinc/25/42/75/338254275.db2.gz IXGUHWHFGZZZOY-DHZHZOJOSA-N -1 3 322.364 4.149 20 0 DIADHM Cc1ccccc1[C@@H](C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435958185 338254310 /nfs/dbraw/zinc/25/43/10/338254310.db2.gz NAXONLRHVMQGGL-PLSXKVAHSA-N -1 3 306.365 4.406 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2OC2CCCC2)c([O-])c1 ZINC000436494506 338274265 /nfs/dbraw/zinc/27/42/65/338274265.db2.gz VXDYWDHWJJAZEH-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM Cc1cccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c1[O-] ZINC000436495106 338274355 /nfs/dbraw/zinc/27/43/55/338274355.db2.gz NMUKEFZFZZOBPD-UHFFFAOYSA-N -1 3 303.446 4.378 20 0 DIADHM Cc1ccc2oc(C(=O)Nc3ccc(C(C)(C)C)cc3[O-])cc2n1 ZINC000436516766 338274801 /nfs/dbraw/zinc/27/48/01/338274801.db2.gz VPONHWFQIIGVNE-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CC1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436518707 338274834 /nfs/dbraw/zinc/27/48/34/338274834.db2.gz ZEHMKWZLLCQSJO-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM Cc1cccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c1[O-] ZINC000436520742 338274972 /nfs/dbraw/zinc/27/49/72/338274972.db2.gz IYCPPYSPVUXDND-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CCC[C@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436528750 338275416 /nfs/dbraw/zinc/27/54/16/338275416.db2.gz PEDUZYXWVCMMGL-AWEZNQCLSA-N -1 3 313.397 4.445 20 0 DIADHM CC[C@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1nccs1 ZINC000436532022 338275582 /nfs/dbraw/zinc/27/55/82/338275582.db2.gz URWSQJHOHWQRLB-KRWDZBQOSA-N -1 3 318.442 4.027 20 0 DIADHM Cc1cccc2c(CCc3nc(-c4ccc([O-])cc4)no3)c[nH]c21 ZINC000436533735 338275626 /nfs/dbraw/zinc/27/56/26/338275626.db2.gz NGJQNQSTAMCTPF-UHFFFAOYSA-N -1 3 319.364 4.017 20 0 DIADHM [O-]c1ccc(-c2noc(C3(Cc4ccccc4)CCC3)n2)cc1 ZINC000436537635 338275905 /nfs/dbraw/zinc/27/59/05/338275905.db2.gz YIOJKUINCWKOTP-UHFFFAOYSA-N -1 3 306.365 4.107 20 0 DIADHM Cc1ccc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c([O-])c1C ZINC000436537674 338275979 /nfs/dbraw/zinc/27/59/79/338275979.db2.gz YPCSCZADUZPWFJ-HNNXBMFYSA-N -1 3 309.409 4.375 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC000436541812 338276141 /nfs/dbraw/zinc/27/61/41/338276141.db2.gz YQRCLHRHTJSLAO-KRWDZBQOSA-N -1 3 309.409 4.145 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1C ZINC000436544516 338276399 /nfs/dbraw/zinc/27/63/99/338276399.db2.gz CZYZDERKNPJAKH-RHSMWYFYSA-N -1 3 309.409 4.027 20 0 DIADHM CN(CC1CCC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436557224 338276843 /nfs/dbraw/zinc/27/68/43/338276843.db2.gz MZUMYZJYSHNQBQ-UHFFFAOYSA-N -1 3 323.436 4.050 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)c2cccs2)c([O-])c1 ZINC000436559795 338277008 /nfs/dbraw/zinc/27/70/08/338277008.db2.gz BISOLGIMVMLHLT-GFCCVEGCSA-N -1 3 303.427 4.410 20 0 DIADHM C[C@H](c1cccs1)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436565504 338277202 /nfs/dbraw/zinc/27/72/02/338277202.db2.gz RMHVRSREISAABW-GFCCVEGCSA-N -1 3 315.438 4.166 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccccc3N3CCCCC3)n2)cc1 ZINC000436562509 338277297 /nfs/dbraw/zinc/27/72/97/338277297.db2.gz FUEDQJFGPFKJDK-UHFFFAOYSA-N -1 3 321.380 4.100 20 0 DIADHM CCOc1cc(Cl)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436565530 338277334 /nfs/dbraw/zinc/27/73/34/338277334.db2.gz NEHHIWNNNLEANC-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c1 ZINC000436571173 338277706 /nfs/dbraw/zinc/27/77/06/338277706.db2.gz BWNVQTMECCJYEP-GUYCJALGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1C ZINC000436589849 338278715 /nfs/dbraw/zinc/27/87/15/338278715.db2.gz QACIVRVGCVRYQJ-DOTOQJQBSA-N -1 3 309.409 4.027 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436589435 338278825 /nfs/dbraw/zinc/27/88/25/338278825.db2.gz KPOWRWWKHNBMHS-QGZVFWFLSA-N -1 3 323.436 4.220 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1 ZINC000436592942 338279012 /nfs/dbraw/zinc/27/90/12/338279012.db2.gz ZOZLOOGESGGVFQ-CXAGYDPISA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(C(=O)N(Cc2ccoc2)C2CCCCC2)c1[O-] ZINC000436596642 338279056 /nfs/dbraw/zinc/27/90/56/338279056.db2.gz RIWYXSWIDOHVGK-UHFFFAOYSA-N -1 3 313.397 4.269 20 0 DIADHM CCCCn1ncc(NC(=O)c2ccc([O-])c(C)c2)c1C(C)C ZINC000436596650 338279154 /nfs/dbraw/zinc/27/91/54/338279154.db2.gz RJUDADAMFZPUQA-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM Cc1coc(-c2cc(NC(=O)c3cccc(C)c3[O-])ccc2C)n1 ZINC000436598238 338279258 /nfs/dbraw/zinc/27/92/58/338279258.db2.gz SRTKJIVMSZASAO-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC[C@@H](SC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436603314 338279442 /nfs/dbraw/zinc/27/94/42/338279442.db2.gz AQGBIEXBHIIZKW-CQSZACIVSA-N -1 3 300.383 4.410 20 0 DIADHM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436604465 338279615 /nfs/dbraw/zinc/27/96/15/338279615.db2.gz AORGJHPLAARXRJ-ZBEGNZNMSA-N -1 3 312.369 4.329 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(O)c4ccccc34)no2)c([O-])c1 ZINC000436605269 338279617 /nfs/dbraw/zinc/27/96/17/338279617.db2.gz BQNHULJHYLMHJG-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM [O-]c1ccc(-c2noc(COc3ccccc3)n2)c2ccccc12 ZINC000436614015 338279905 /nfs/dbraw/zinc/27/99/05/338279905.db2.gz UDUMVXHBNAPAHF-UHFFFAOYSA-N -1 3 318.332 4.174 20 0 DIADHM CSCC(C)(C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436612175 338279949 /nfs/dbraw/zinc/27/99/49/338279949.db2.gz LWYLRCSAVYDIRA-UHFFFAOYSA-N -1 3 314.410 4.236 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(C4CC4)on3)n2)c2ccccc12 ZINC000436614822 338280184 /nfs/dbraw/zinc/28/01/84/338280184.db2.gz BBRZLLZJQCPEJQ-UHFFFAOYSA-N -1 3 319.320 4.128 20 0 DIADHM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436620705 338280333 /nfs/dbraw/zinc/28/03/33/338280333.db2.gz BQZDLXDTFIILJM-QGZVFWFLSA-N -1 3 323.436 4.454 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c([O-])c1 ZINC000436622538 338280373 /nfs/dbraw/zinc/28/03/73/338280373.db2.gz DOCVAGRAESJOBT-UHFFFAOYSA-N -1 3 317.816 4.441 20 0 DIADHM O=C(c1ccc(O)cc1[O-])N1CCC[C@H]1CCC1CCCCC1 ZINC000436631252 338280576 /nfs/dbraw/zinc/28/05/76/338280576.db2.gz TXMIYJYCUMKBDB-HNNXBMFYSA-N -1 3 317.429 4.063 20 0 DIADHM Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1[O-] ZINC000436632216 338280707 /nfs/dbraw/zinc/28/07/07/338280707.db2.gz VWOZTMYDYWQZNL-BCDXTJNWSA-N -1 3 321.420 4.251 20 0 DIADHM CCN(C[C@H](C)OC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436658394 338281809 /nfs/dbraw/zinc/28/18/09/338281809.db2.gz ZTXAOJRLBXURBA-AWEZNQCLSA-N -1 3 321.461 4.136 20 0 DIADHM CCOc1cc(-c2nc3c(cccc3F)n2C)cc(Cl)c1[O-] ZINC000436658896 338281814 /nfs/dbraw/zinc/28/18/14/338281814.db2.gz WBSBCJKNKOGSGM-UHFFFAOYSA-N -1 3 320.751 4.137 20 0 DIADHM Cc1ccc(-c2ccncc2)cc1NC(=O)c1cccc(C)c1[O-] ZINC000436682461 338282646 /nfs/dbraw/zinc/28/26/46/338282646.db2.gz VTWLWKLLOYSMJQ-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CC(C)c1cccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)n1 ZINC000436720566 338284040 /nfs/dbraw/zinc/28/40/40/338284040.db2.gz GBAOCFIHNPGCRR-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000436721216 338284109 /nfs/dbraw/zinc/28/41/09/338284109.db2.gz WAGODKZQEKUMIK-JKSUJKDBSA-N -1 3 309.409 4.027 20 0 DIADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1c(C)noc1C ZINC000436723850 338284300 /nfs/dbraw/zinc/28/43/00/338284300.db2.gz WJNVOBBDBIPRHA-HNNXBMFYSA-N -1 3 316.401 4.002 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1 ZINC000436727694 338284458 /nfs/dbraw/zinc/28/44/58/338284458.db2.gz BPAXZQPHNWXHHI-ACJLOTCBSA-N -1 3 313.372 4.063 20 0 DIADHM CCc1c(C)sc2[nH]c(-c3cc(C)c([O-])c(C)c3)nc(=O)c12 ZINC000436733008 338284690 /nfs/dbraw/zinc/28/46/90/338284690.db2.gz VVEBGLJOILOBEC-UHFFFAOYSA-N -1 3 314.410 4.257 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc(SC4CC4)cc3)n2)cc1 ZINC000436747413 338285120 /nfs/dbraw/zinc/28/51/20/338285120.db2.gz AGMUVIKNNRGMLI-UHFFFAOYSA-N -1 3 310.378 4.364 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c([O-])c1C ZINC000436760312 338286206 /nfs/dbraw/zinc/28/62/06/338286206.db2.gz AUAKQUHUULOJSY-UHFFFAOYSA-N -1 3 322.364 4.280 20 0 DIADHM [O-]c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 ZINC000436779807 338287139 /nfs/dbraw/zinc/28/71/39/338287139.db2.gz YUYNLOQEFNPJRW-UHFFFAOYSA-N -1 3 318.332 4.174 20 0 DIADHM CC(F)(F)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436784289 338287312 /nfs/dbraw/zinc/28/73/12/338287312.db2.gz PHQILQUEYLYGCJ-UHFFFAOYSA-N -1 3 302.280 4.221 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)c1[O-] ZINC000436794409 338287581 /nfs/dbraw/zinc/28/75/81/338287581.db2.gz WFKBFKRHHWWRNU-QGZVFWFLSA-N -1 3 315.388 4.309 20 0 DIADHM CCCCS[C@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436792791 338287692 /nfs/dbraw/zinc/28/76/92/338287692.db2.gz XUSHRZAVUYDYSE-SNVBAGLBSA-N -1 3 308.403 4.045 20 0 DIADHM Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)ccc1[O-] ZINC000436793004 338287700 /nfs/dbraw/zinc/28/77/00/338287700.db2.gz QFAUEVGAPGNYBA-RKVPGOIHSA-N -1 3 309.409 4.107 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436799306 338287891 /nfs/dbraw/zinc/28/78/91/338287891.db2.gz CDUBXMBXOHSBMI-UHFFFAOYSA-N -1 3 317.454 4.165 20 0 DIADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CC1(C)C ZINC000436823813 338288673 /nfs/dbraw/zinc/28/86/73/338288673.db2.gz XGSWMBWXYPFFDH-QGZVFWFLSA-N -1 3 311.381 4.055 20 0 DIADHM COc1cc(-c2noc(-c3ccc(Cl)c(C)c3)n2)ccc1[O-] ZINC000436824758 338288816 /nfs/dbraw/zinc/28/88/16/338288816.db2.gz CKJXRACQLHSSCI-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCc1ccc(-c2nc(Cc3ccccc3Cl)no2)c([O-])c1 ZINC000436829956 338289032 /nfs/dbraw/zinc/28/90/32/338289032.db2.gz CBWVSOSCSFRHSH-UHFFFAOYSA-N -1 3 314.772 4.249 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436832139 338289039 /nfs/dbraw/zinc/28/90/39/338289039.db2.gz ZBSDLPZVADLHNE-YJBOKZPZSA-N -1 3 309.409 4.027 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)c([O-])c1 ZINC000436833451 338289181 /nfs/dbraw/zinc/28/91/81/338289181.db2.gz LTRURXJFDIWMDG-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436833114 338289185 /nfs/dbraw/zinc/28/91/85/338289185.db2.gz IUZQLRIDCWZKIF-SJLPKXTDSA-N -1 3 323.436 4.357 20 0 DIADHM CCc1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)c([O-])c1 ZINC000436847829 338289828 /nfs/dbraw/zinc/28/98/28/338289828.db2.gz ROMKXJZALZXVLP-UHFFFAOYSA-N -1 3 305.337 4.153 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cccc(-c4ccoc4)c3)n2)cc1 ZINC000436854985 338290034 /nfs/dbraw/zinc/29/00/34/338290034.db2.gz 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313.397 4.197 20 0 DIADHM C[C@H]1C[C@@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000545066263 341106889 /nfs/dbraw/zinc/10/68/89/341106889.db2.gz FRLJHBRDDHHFKP-WFASDCNBSA-N -1 3 306.365 4.156 20 0 DIADHM O=C(CCCCCc1cccs1)NCc1ccc([O-])c(F)c1 ZINC000133025063 341152141 /nfs/dbraw/zinc/15/21/41/341152141.db2.gz YOVQAACKHKAVAV-UHFFFAOYSA-N -1 3 321.417 4.012 20 0 DIADHM [O-]c1c(-c2nc([C@@H]3Cc4ccccc43)no2)ccc2c1CCCC2 ZINC000546999170 341190763 /nfs/dbraw/zinc/19/07/63/341190763.db2.gz RCFXPBHTWMIMFP-QGZVFWFLSA-N -1 3 318.376 4.009 20 0 DIADHM CC(C)C[C@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000077364603 341223716 /nfs/dbraw/zinc/22/37/16/341223716.db2.gz PFVTZRMQWUPNSX-CYBMUJFWSA-N -1 3 319.474 4.188 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccc(Cl)cc3o2)n1 ZINC000134963464 341227319 /nfs/dbraw/zinc/22/73/19/341227319.db2.gz OEHQPDHMHCJKSZ-QMMMGPOBSA-N -1 3 321.789 4.139 20 0 DIADHM O=C(CCCc1ccc(Cl)cc1)Nc1ccc([O-])cc1F ZINC000547810290 341233827 /nfs/dbraw/zinc/23/38/27/341233827.db2.gz DLDBUIMRLCCUGZ-UHFFFAOYSA-N -1 3 307.752 4.146 20 0 DIADHM Cc1cc(Cl)ccc1NC(=O)c1c[n-]nc1-c1ccccc1 ZINC000078301980 341239878 /nfs/dbraw/zinc/23/98/78/341239878.db2.gz PXCOQGWGWCSWPN-UHFFFAOYSA-N -1 3 311.772 4.291 20 0 DIADHM CC(C)c1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136120014 341253110 /nfs/dbraw/zinc/25/31/10/341253110.db2.gz SWJBERCNJHIVCT-UHFFFAOYSA-N -1 3 303.789 4.350 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cccc(C(F)(F)F)c1F ZINC000079381275 341257612 /nfs/dbraw/zinc/25/76/12/341257612.db2.gz NFSBQJRMIXITPZ-UHFFFAOYSA-N -1 3 319.204 4.375 20 0 DIADHM O=C([N-]c1cccc(Cl)c1F)c1occc1Br ZINC000080941080 341276944 /nfs/dbraw/zinc/27/69/44/341276944.db2.gz KZZHRNHYCKRTFA-UHFFFAOYSA-N -1 3 318.529 4.087 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])s1 ZINC000081458600 341291548 /nfs/dbraw/zinc/29/15/48/341291548.db2.gz WDVZMKNMDYRBPV-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccc(Cl)s1 ZINC000081737673 341303866 /nfs/dbraw/zinc/30/38/66/341303866.db2.gz 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/nfs/dbraw/zinc/37/54/30/341375430.db2.gz MTBIOGFNUJCZET-UHFFFAOYSA-N -1 3 304.415 4.389 20 0 DIADHM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc([O-])c2ccccc2c1 ZINC000555094501 341474899 /nfs/dbraw/zinc/47/48/99/341474899.db2.gz IRSSMMCZRKUSLH-SAABIXHNSA-N -1 3 317.388 4.221 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1csc(-c2ccoc2)n1 ZINC000566001138 341545013 /nfs/dbraw/zinc/54/50/13/341545013.db2.gz FKIJZQFAVHQFCG-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM Cc1cccc2c(CC(=O)Nc3ccc(Cl)cc3[O-])c[nH]c21 ZINC000153630903 341576107 /nfs/dbraw/zinc/57/61/07/341576107.db2.gz UPOCHIVFWRZUFP-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)c1[O-] ZINC000155310104 341606006 /nfs/dbraw/zinc/60/60/06/341606006.db2.gz JHYZBAALMMSUQV-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM Cc1cccc2c(CC(=O)Nc3cc(Cl)ccc3[O-])c[nH]c21 ZINC000155910323 341614822 /nfs/dbraw/zinc/61/48/22/341614822.db2.gz NFLYMMQARRTPFT-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM CCC[C@@H](C)S(=O)(=O)[N-]c1ccccc1-c1csc(C)n1 ZINC000567998508 341644789 /nfs/dbraw/zinc/64/47/89/341644789.db2.gz QOATYFJSUGYJGQ-LLVKDONJSA-N -1 3 324.471 4.049 20 0 DIADHM CCOc1cc(-c2noc([C@H]3C[C@@H]3c3ccccc3)n2)ccc1[O-] ZINC000576733114 341860682 /nfs/dbraw/zinc/86/06/82/341860682.db2.gz DGCHJXNWIIUAQV-CABCVRRESA-N -1 3 322.364 4.112 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000192569070 341875898 /nfs/dbraw/zinc/87/58/98/341875898.db2.gz MGAAWPHUSJEAJK-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM CCSc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192731926 341884875 /nfs/dbraw/zinc/88/48/75/341884875.db2.gz KNGFFTGDFZPIBM-CHWSQXEVSA-N -1 3 317.458 4.014 20 0 DIADHM CCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000577445959 341910013 /nfs/dbraw/zinc/91/00/13/341910013.db2.gz KPOFGOURRTTZLN-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM C[C@H]1C[C@@H](c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCO1 ZINC000577990382 341964235 /nfs/dbraw/zinc/96/42/35/341964235.db2.gz MRTYXWAGWPURDV-YUMQZZPRSA-N -1 3 323.805 4.215 20 0 DIADHM Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000522632162 518190540 /nfs/dbraw/zinc/19/05/40/518190540.db2.gz KGXFULHPQABBHH-GFCCVEGCSA-N -1 3 319.788 4.068 20 0 DIADHM CC(C)c1cc(C(=O)N(C)c2cccnc2)c([O-])c(C(C)C)c1 ZINC000179564757 519831253 /nfs/dbraw/zinc/83/12/53/519831253.db2.gz XCSFGRMYLYULLE-UHFFFAOYSA-N -1 3 312.413 4.311 20 0 DIADHM CCCC[C@@H](CCC)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000267129646 521043881 /nfs/dbraw/zinc/04/38/81/521043881.db2.gz CYBAVVNJEGGOKB-CYBMUJFWSA-N -1 3 300.402 4.029 20 0 DIADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C)cc1 ZINC000339679236 522525864 /nfs/dbraw/zinc/52/58/64/522525864.db2.gz PEZFCJLDUWTKHP-INIZCTEOSA-N -1 3 303.789 4.235 20 0 DIADHM Cc1cnc(C(=O)[N-]c2cccc(Cl)c2SC(C)C)cn1 ZINC000157541822 525977390 /nfs/dbraw/zinc/97/73/90/525977390.db2.gz ZMEAAZQFBHRKGW-UHFFFAOYSA-N -1 3 321.833 4.191 20 0 DIADHM [O-]c1cc(CNc2cccc(C3CC3)n2)cc(C(F)(F)F)c1 ZINC000339428067 526333470 /nfs/dbraw/zinc/33/34/70/526333470.db2.gz IWIUYOITENGQQO-UHFFFAOYSA-N -1 3 308.303 4.296 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1Cl ZINC000339205948 526360349 /nfs/dbraw/zinc/36/03/49/526360349.db2.gz NGAAZAHTQZEMSD-AWEZNQCLSA-N -1 3 321.779 4.188 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1scnc1C1CCCC1 ZINC000154152717 526583025 /nfs/dbraw/zinc/58/30/25/526583025.db2.gz IMQKVLGGLWWYFF-UHFFFAOYSA-N -1 3 317.414 4.227 20 0 DIADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000126625740 526678369 /nfs/dbraw/zinc/67/83/69/526678369.db2.gz ZPESSRYNWKTWOY-LBPRGKRZSA-N -1 3 318.442 4.114 20 0 DIADHM Cc1ocnc1C(=O)[N-]c1c(F)cccc1Oc1ccccc1 ZINC000107166353 526837103 /nfs/dbraw/zinc/83/71/03/526837103.db2.gz YEXZXKQRTLHDIQ-UHFFFAOYSA-N -1 3 312.300 4.167 20 0 DIADHM O=C(NCCCCC1CCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000266301315 527640374 /nfs/dbraw/zinc/64/03/74/527640374.db2.gz KFXOHNAORWNLPI-UHFFFAOYSA-N -1 3 312.413 4.031 20 0 DIADHM [O-]c1cc(Nc2cc(F)cnc2Br)ccc1Cl ZINC001212589348 1051584750 /nfs/dbraw/zinc/58/47/50/1051584750.db2.gz GZZNFMWIWJXEOW-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1cccc(Nc2cccc([O-])c2Br)c1C ZINC001215800942 1051377866 /nfs/dbraw/zinc/37/78/66/1051377866.db2.gz UVOYSNBPPFIVCM-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM Cc1ccc(S[C@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000579744652 1035546538 /nfs/dbraw/zinc/54/65/38/1035546538.db2.gz SVZUBRHUVXFTOQ-LLVKDONJSA-N -1 3 321.829 4.473 20 0 DIADHM Clc1cc(-c2nc(-c3cccc(Cl)c3Cl)no2)[n-]n1 ZINC001213500969 1035551881 /nfs/dbraw/zinc/55/18/81/1035551881.db2.gz UOPCVBBMUGIHKS-UHFFFAOYSA-N -1 3 315.547 4.087 20 0 DIADHM O=[S@](Cc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000108083335 1035722639 /nfs/dbraw/zinc/72/26/39/1035722639.db2.gz UZFKTENYRMOAKX-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM O=[S@@](Cc1ccc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000108084426 1035724513 /nfs/dbraw/zinc/72/45/13/1035724513.db2.gz UNVOPBIYILSDEU-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C)cc1 ZINC000339679242 1035907407 /nfs/dbraw/zinc/90/74/07/1035907407.db2.gz PEZFCJLDUWTKHP-MRXNPFEDSA-N -1 3 303.789 4.235 20 0 DIADHM O=C(CCSCc1ccccc1)Nc1c([O-])cccc1Cl ZINC000579869985 1035939472 /nfs/dbraw/zinc/93/94/72/1035939472.db2.gz AZSRKSCXHNAENB-UHFFFAOYSA-N -1 3 321.829 4.308 20 0 DIADHM CC(=O)c1ccc(Br)cc1Nc1cc([O-])cc(F)c1 ZINC001206851892 1036177714 /nfs/dbraw/zinc/17/77/14/1036177714.db2.gz XZPKEBUZTIBBTF-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccnc(F)c1Br ZINC001210218115 1036533391 /nfs/dbraw/zinc/53/33/91/1036533391.db2.gz FEPKWGFWFMANCP-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1cc(OC)c(F)c(Nc2cccc(Cl)c2[O-])c1F ZINC001210218914 1036536935 /nfs/dbraw/zinc/53/69/35/1036536935.db2.gz HFZDJDOSNSOKIB-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM COC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1Cl ZINC001210223600 1036540344 /nfs/dbraw/zinc/54/03/44/1036540344.db2.gz UJSDVPLADVJKFC-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM COc1ncc(Cl)cc1[N-]c1nc2cc(Cl)ccc2o1 ZINC001210449667 1036711728 /nfs/dbraw/zinc/71/17/28/1036711728.db2.gz OVLIIOCTTSTYGZ-UHFFFAOYSA-N -1 3 310.140 4.282 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cccc(F)c1F ZINC000122717396 1036733699 /nfs/dbraw/zinc/73/36/99/1036733699.db2.gz MJFSGOAQXVVZCY-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000113593263 1036812529 /nfs/dbraw/zinc/81/25/29/1036812529.db2.gz ZVUYGXXBOQFCMX-UHFFFAOYSA-N -1 3 313.397 4.259 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1cc2cc(F)ccc2o1 ZINC001210724796 1036924844 /nfs/dbraw/zinc/92/48/44/1036924844.db2.gz KBKDTETVADOYTQ-UHFFFAOYSA-N -1 3 323.121 4.179 20 0 DIADHM [O-]c1cccc(Nc2ccnc(OC(F)(F)F)c2)c1Cl ZINC001210855485 1037017930 /nfs/dbraw/zinc/01/79/30/1037017930.db2.gz QGXNEWXRPPFWLE-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)cc2F)CC)n1 ZINC000580435930 1037134540 /nfs/dbraw/zinc/13/45/40/1037134540.db2.gz LFJJQJKRBYXANO-XFXZXTDPSA-N -1 3 316.376 4.233 20 0 DIADHM O=C([O-])[C@@H]1CN(CCC2CCCCCC2)Cc2ccccc21 ZINC000394583478 1037170580 /nfs/dbraw/zinc/17/05/80/1037170580.db2.gz UEKDAKAVWWCBBV-GOSISDBHSA-N -1 3 301.430 4.031 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ncc(CC)s2)CC)n1 ZINC000581049795 1037418213 /nfs/dbraw/zinc/41/82/13/1037418213.db2.gz PMXBFZVGZHUCPG-FLIBITNWSA-N -1 3 303.431 4.104 20 0 DIADHM CCC(CC)n1nc(C)cc1C(=O)Nc1c([O-])cccc1Cl ZINC000581099322 1037435454 /nfs/dbraw/zinc/43/54/54/1037435454.db2.gz GBUYFAMEUMEIAG-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000128372155 1037462173 /nfs/dbraw/zinc/46/21/73/1037462173.db2.gz MYVRKQRCKSXHQC-CQSZACIVSA-N -1 3 305.374 4.041 20 0 DIADHM Cc1ccc(CN(CCCCCC(=O)[O-])Cc2ccco2)s1 ZINC000581256651 1037502400 /nfs/dbraw/zinc/50/24/00/1037502400.db2.gz ZXJDUNVPJAYGLF-UHFFFAOYSA-N -1 3 321.442 4.297 20 0 DIADHM O=c1[n-]c(CSC2CCCC2)nc2c3ccccc3oc21 ZINC000603452237 1038209347 /nfs/dbraw/zinc/20/93/47/1038209347.db2.gz QEHKGEAJTCINIZ-UHFFFAOYSA-N -1 3 300.383 4.257 20 0 DIADHM CCCCc1nnc([N-]C(=O)c2scc(C)c2Cl)s1 ZINC000276831749 1038243732 /nfs/dbraw/zinc/24/37/32/1038243732.db2.gz NZQJRHUVLWTUDL-UHFFFAOYSA-N -1 3 315.851 4.156 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC000604790393 1038447899 /nfs/dbraw/zinc/44/78/99/1038447899.db2.gz OEXZIIOIPABUGY-UHFFFAOYSA-N -1 3 303.446 4.414 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(Cl)c2OC(C)C)c([O-])c1 ZINC000605278680 1038504809 /nfs/dbraw/zinc/50/48/09/1038504809.db2.gz HYFFVQPMONZJLJ-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062877524 1038637459 /nfs/dbraw/zinc/63/74/59/1038637459.db2.gz GYUAKANFYXUHTG-OAHLLOKOSA-N -1 3 316.228 4.070 20 0 DIADHM CSc1cc(C)ccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000342814207 1038859859 /nfs/dbraw/zinc/85/98/59/1038859859.db2.gz LSDNYBZAYURBTR-UHFFFAOYSA-N -1 3 321.829 4.006 20 0 DIADHM COc1c(F)cc(SC)cc1Nc1c(F)cc([O-])cc1F ZINC001216583762 1038917034 /nfs/dbraw/zinc/91/70/34/1038917034.db2.gz JOQOBUGSJHRNDL-UHFFFAOYSA-N -1 3 315.316 4.284 20 0 DIADHM Cc1nc(Nc2cc(F)c([O-])c(F)c2)c(Cl)cc1Cl ZINC001213373484 1038918203 /nfs/dbraw/zinc/91/82/03/1038918203.db2.gz HBCRJGDXEHXUPM-UHFFFAOYSA-N -1 3 305.111 4.424 20 0 DIADHM [O-]c1c(F)cc(Nc2nc3ccccc3nc2Cl)cc1F ZINC001213373677 1038931767 /nfs/dbraw/zinc/93/17/67/1038931767.db2.gz SAULJDSMNXGZEX-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM CC(C)c1ccc(SCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000534210050 1039003884 /nfs/dbraw/zinc/00/38/84/1039003884.db2.gz IYOAGPSDAPRIAP-UHFFFAOYSA-N -1 3 319.401 4.386 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2ccccc2F)CCCC1 ZINC000534208944 1039003916 /nfs/dbraw/zinc/00/39/16/1039003916.db2.gz AVCAOIINSNYECA-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc2c3c(cccc31)CC2 ZINC000534210392 1039004009 /nfs/dbraw/zinc/00/40/09/1039004009.db2.gz LTTNXWXQFACEMT-UHFFFAOYSA-N -1 3 307.324 4.035 20 0 DIADHM CC(C)(C)c1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000534210116 1039004137 /nfs/dbraw/zinc/00/41/37/1039004137.db2.gz PYNNCCMLWYDROP-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM CCCC[C@@H](CC)CCN[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000426732947 1039148035 /nfs/dbraw/zinc/14/80/35/1039148035.db2.gz VYONICKNNQCDFU-WBMJQRKESA-N -1 3 313.388 4.287 20 0 DIADHM CCCC[C@H](CC)CCN[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000426732945 1039148913 /nfs/dbraw/zinc/14/89/13/1039148913.db2.gz VYONICKNNQCDFU-LRDDRELGSA-N -1 3 313.388 4.287 20 0 DIADHM O=C(C/C=C\c1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000535420075 1039205744 /nfs/dbraw/zinc/20/57/44/1039205744.db2.gz MALYEHIHKJVQMW-HYXAFXHYSA-N -1 3 305.736 4.227 20 0 DIADHM CC(=O)c1cc(Cl)c(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386660 1039338008 /nfs/dbraw/zinc/33/80/08/1039338008.db2.gz NRNNMJNPVZFHSI-UHFFFAOYSA-N -1 3 315.678 4.409 20 0 DIADHM O=C(Cc1ccc(F)cc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000536213991 1039598233 /nfs/dbraw/zinc/59/82/33/1039598233.db2.gz PDOZEQMVCCJPBG-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM Cc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC000054885234 1039624198 /nfs/dbraw/zinc/62/41/98/1039624198.db2.gz YICORIMWWVZGTB-UHFFFAOYSA-N -1 3 302.418 4.023 20 0 DIADHM COc1cc(/C=C/C(=O)c2cc(C)ccc2F)cc(Cl)c1[O-] ZINC000160645454 1039731718 /nfs/dbraw/zinc/73/17/18/1039731718.db2.gz AFKJCCOYLUCNHA-GQCTYLIASA-N -1 3 320.747 4.398 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1[O-] ZINC000541891392 1039757165 /nfs/dbraw/zinc/75/71/65/1039757165.db2.gz WKFGCUURBSRDJH-JKGDOXCYSA-N -1 3 321.420 4.273 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(SC2CC2)cc1 ZINC000542183971 1039811097 /nfs/dbraw/zinc/81/10/97/1039811097.db2.gz IXZGJFCDYQMUGB-UHFFFAOYSA-N -1 3 303.358 4.038 20 0 DIADHM CC(C)(C)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000913741468 1039884078 /nfs/dbraw/zinc/88/40/78/1039884078.db2.gz PCOPONDQQHLALH-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM CCc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1[O-] ZINC000093969762 1039909076 /nfs/dbraw/zinc/90/90/76/1039909076.db2.gz 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/nfs/dbraw/zinc/40/76/49/1041407649.db2.gz OZFWHXRGFPELLF-UHFFFAOYSA-N -1 3 312.803 4.005 20 0 DIADHM CC(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc(Cl)c2F)o1 ZINC001132588857 1041480508 /nfs/dbraw/zinc/48/05/08/1041480508.db2.gz XTZRHJSZAYQVGV-UHFFFAOYSA-N -1 3 316.115 4.180 20 0 DIADHM Cc1ccc(F)c(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c1F ZINC001132720002 1041499981 /nfs/dbraw/zinc/49/99/81/1041499981.db2.gz IZHOIWSPGOYEBD-UHFFFAOYSA-N -1 3 319.204 4.082 20 0 DIADHM CC(C)c1cnc(COC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811393887 1041514071 /nfs/dbraw/zinc/51/40/71/1041514071.db2.gz GVAHBBOEROWBPY-UHFFFAOYSA-N -1 3 324.789 4.351 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000416123902 1041534142 /nfs/dbraw/zinc/53/41/42/1041534142.db2.gz SNKFWTLFISDUTL-UHFFFAOYSA-N -1 3 320.414 4.089 20 0 DIADHM Cc1cc2nc(NCc3c(F)ccc([O-])c3F)oc2c(C)c1 ZINC000811835412 1041571970 /nfs/dbraw/zinc/57/19/70/1041571970.db2.gz UNBZVXPBPWBFOE-UHFFFAOYSA-N -1 3 304.296 4.041 20 0 DIADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417525727 1041680594 /nfs/dbraw/zinc/68/05/94/1041680594.db2.gz BKUFHDKTBFHNLW-IUCAKERBSA-N -1 3 324.273 4.424 20 0 DIADHM Cc1nc2cc(CNc3[n-]c(=O)c(Cl)cc3Cl)ccc2o1 ZINC001167757411 1041762236 /nfs/dbraw/zinc/76/22/36/1041762236.db2.gz QZXLVBXZZFUFAW-UHFFFAOYSA-N -1 3 324.167 4.156 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000814295337 1041801484 /nfs/dbraw/zinc/80/14/84/1041801484.db2.gz XLFZNUPWXARHRS-UHFFFAOYSA-N -1 3 310.180 4.366 20 0 DIADHM C[C@H](CC(=O)[N-]OC1CCCCC1)c1c[nH]c2ccccc21 ZINC000785289201 1041974345 /nfs/dbraw/zinc/97/43/45/1041974345.db2.gz JVUSKZDHRJZMIQ-CYBMUJFWSA-N -1 3 300.402 4.042 20 0 DIADHM C[C@]12CCN(Cc3cccc([O-])c3Cl)C[C@H]1C2(Cl)Cl ZINC000816603264 1042071388 /nfs/dbraw/zinc/07/13/88/1042071388.db2.gz DJUXXEZUXOZERZ-YPMHNXCESA-N -1 3 320.647 4.061 20 0 DIADHM CC[C@@H](C)Oc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000816523125 1042065028 /nfs/dbraw/zinc/06/50/28/1042065028.db2.gz DLKRBJQJPDFXGW-LLVKDONJSA-N -1 3 307.340 4.460 20 0 DIADHM Cc1cc(OC(C)C)ccc1NCc1c(F)ccc([O-])c1F ZINC000816522351 1042065208 /nfs/dbraw/zinc/06/52/08/1042065208.db2.gz VNUAFNVNYYXYOI-UHFFFAOYSA-N -1 3 307.340 4.378 20 0 DIADHM C[C@@]12CCN(Cc3cccc([O-])c3Cl)C[C@@H]1C2(Cl)Cl ZINC000816603263 1042071525 /nfs/dbraw/zinc/07/15/25/1042071525.db2.gz DJUXXEZUXOZERZ-WCQYABFASA-N -1 3 320.647 4.061 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC001135641428 1042071940 /nfs/dbraw/zinc/07/19/40/1042071940.db2.gz FHOXJKVGLLWIPE-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1[O-] ZINC000816811107 1042083989 /nfs/dbraw/zinc/08/39/89/1042083989.db2.gz MCUPWMABKDQONF-UHFFFAOYSA-N -1 3 305.333 4.000 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC001135795063 1042091253 /nfs/dbraw/zinc/09/12/53/1042091253.db2.gz DKDFMVRLAOTOJJ-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cc1ccc(F)cc1N=Cc1cc(Br)ccc1[O-] ZINC000254670204 1042091885 /nfs/dbraw/zinc/09/18/85/1042091885.db2.gz PRVHEOVRDFSYEO-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2cc3sccc3c([O-])c2)CC1(C)C ZINC000817219612 1042099093 /nfs/dbraw/zinc/09/90/93/1042099093.db2.gz FNZOCUUNRNWYHF-HNNXBMFYSA-N -1 3 303.427 4.114 20 0 DIADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817399032 1042106509 /nfs/dbraw/zinc/10/65/09/1042106509.db2.gz BXTJQYHOHDPHDF-LLVKDONJSA-N -1 3 315.335 4.047 20 0 DIADHM O=C(CCCc1csc2ccccc12)[N-]OCCC1CC1 ZINC000817421305 1042108311 /nfs/dbraw/zinc/10/83/11/1042108311.db2.gz WVGTUCDQVNZEPD-UHFFFAOYSA-N -1 3 303.427 4.072 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCc2ccccn2)s1 ZINC000010394962 1042179447 /nfs/dbraw/zinc/17/94/47/1042179447.db2.gz QCSQGNAZTOAXIR-UHFFFAOYSA-N -1 3 318.402 4.108 20 0 DIADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219252 1042183519 /nfs/dbraw/zinc/18/35/19/1042183519.db2.gz NWONTJNERPOVGR-VIFPVBQESA-N -1 3 314.223 4.166 20 0 DIADHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)=C1CCC1 ZINC000819481903 1042185825 /nfs/dbraw/zinc/18/58/25/1042185825.db2.gz QJBUADMEOMIULN-GFCCVEGCSA-N -1 3 323.236 4.092 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2OC2CCCC2)c1[O-] ZINC001136292499 1042200989 /nfs/dbraw/zinc/20/09/89/1042200989.db2.gz MHVQZHXVFCBASX-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@H](c1cccs1)c1ccc(F)cc1 ZINC000820185473 1042207307 /nfs/dbraw/zinc/20/73/07/1042207307.db2.gz AKEFWCFHKLKGFR-ZDUSSCGKSA-N -1 3 313.344 4.138 20 0 DIADHM COc1ccc2nc(-c3cc(Cl)cc(Cl)c3)[n-]c(=O)c2c1 ZINC000431184416 1042207442 /nfs/dbraw/zinc/20/74/42/1042207442.db2.gz UFHCPKVFMLQWGJ-UHFFFAOYSA-N -1 3 321.163 4.318 20 0 DIADHM CC(C)Cc1ccc([C@H]([N-]c2nnc(C(F)F)o2)C(C)C)cc1 ZINC000432334529 1042218522 /nfs/dbraw/zinc/21/85/22/1042218522.db2.gz KANCPVLSRJMWON-CQSZACIVSA-N -1 3 323.387 5.015 20 0 DIADHM O=C(/C=C\c1ccc(Cl)s1)Nc1c([O-])cccc1Cl ZINC000820509613 1042218813 /nfs/dbraw/zinc/21/88/13/1042218813.db2.gz HPYDIDQCZJYRMD-ALCCZGGFSA-N -1 3 314.193 4.412 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccsc1C(F)(F)F ZINC000637104623 1042233144 /nfs/dbraw/zinc/23/31/44/1042233144.db2.gz GGYNVDNKKKUURD-UHFFFAOYSA-N -1 3 316.304 4.193 20 0 DIADHM CC[C@H](C)Oc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000319772011 1042251719 /nfs/dbraw/zinc/25/17/19/1042251719.db2.gz FPTLTLHFOJRPDD-NSHDSACASA-N -1 3 319.788 4.475 20 0 DIADHM c1cc2cccc([N-]c3nc(C4CCOCC4)ns3)c2s1 ZINC000663741599 1042306221 /nfs/dbraw/zinc/30/62/21/1042306221.db2.gz NKNJLOFUTBBDBW-UHFFFAOYSA-N -1 3 317.439 4.390 20 0 DIADHM C[C@@H]1Cc2ccccc2N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136677979 1042313030 /nfs/dbraw/zinc/31/30/30/1042313030.db2.gz KKDDSOLNWONISH-GFCCVEGCSA-N -1 3 323.417 4.446 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2sccc2OC)CC)n1 ZINC000279570232 1042321541 /nfs/dbraw/zinc/32/15/41/1042321541.db2.gz VVDSKVMRPSVWHL-PKNBQFBNSA-N -1 3 304.415 4.155 20 0 DIADHM CCCc1ccc(C(=O)/C(C#N)=C/c2ccc([O-])c(OC)c2)cc1 ZINC000028497452 1042691583 /nfs/dbraw/zinc/69/15/83/1042691583.db2.gz NAMSVHYYCRGOQM-GZTJUZNOSA-N 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1045933357 /nfs/dbraw/zinc/93/33/57/1045933357.db2.gz FFUMOOUATHRVIM-MRXNPFEDSA-N -1 3 317.360 4.138 20 0 DIADHM O=C([O-])c1occc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000902190928 1045934194 /nfs/dbraw/zinc/93/41/94/1045934194.db2.gz FFUMOOUATHRVIM-INIZCTEOSA-N -1 3 317.360 4.138 20 0 DIADHM O=C([O-])/C=C\c1ccc(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC000902223728 1045950822 /nfs/dbraw/zinc/95/08/22/1045950822.db2.gz CSMWERMPUIVVMJ-YAINUAMHSA-N -1 3 311.381 4.008 20 0 DIADHM CCc1oc(CN[C@@H](c2ccccc2C)C2CC2)cc1C(=O)[O-] ZINC000902249162 1045956267 /nfs/dbraw/zinc/95/62/67/1045956267.db2.gz IWLVIIZWIVPPSS-GOSISDBHSA-N -1 3 313.397 4.090 20 0 DIADHM COCC1(c2noc(-c3ccc(C(C)C)cc3[O-])n2)CCCC1 ZINC000453290251 1046015696 /nfs/dbraw/zinc/01/56/96/1046015696.db2.gz LLYYAUWODSKECR-UHFFFAOYSA-N -1 3 316.401 4.024 20 0 DIADHM CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1ccccc1 ZINC001138015087 1046055906 /nfs/dbraw/zinc/05/59/06/1046055906.db2.gz PSZUJXGOPVXSNO-CVEARBPZSA-N -1 3 315.800 4.424 20 0 DIADHM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1Cl ZINC001138014949 1046058276 /nfs/dbraw/zinc/05/82/76/1046058276.db2.gz JIQFALISHLHOFK-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000756333470 1046066018 /nfs/dbraw/zinc/06/60/18/1046066018.db2.gz REKDAVDCOCNGFR-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)c3ccccc32)c1 ZINC001138106239 1046093344 /nfs/dbraw/zinc/09/33/44/1046093344.db2.gz IGJKPYOFLPTUMF-AWEZNQCLSA-N -1 3 309.409 4.499 20 0 DIADHM COc1c(Cl)cccc1CN[C@H](C)c1cccc([O-])c1F ZINC000903245275 1046206272 /nfs/dbraw/zinc/20/62/72/1046206272.db2.gz CYZSBYPGSPIOLW-SNVBAGLBSA-N -1 3 309.768 4.044 20 0 DIADHM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000263386299 1046308892 /nfs/dbraw/zinc/30/88/92/1046308892.db2.gz CXLZJZTWLIFBOW-GFCCVEGCSA-N -1 3 309.818 4.341 20 0 DIADHM CCOc1ccccc1[C@H](CC)NCc1cccc(C(=O)[O-])c1 ZINC000263428845 1046319724 /nfs/dbraw/zinc/31/97/24/1046319724.db2.gz RKUCPMYABSZWHR-KRWDZBQOSA-N 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/nfs/dbraw/zinc/41/70/17/1046417017.db2.gz ZMQLLTDHZGWABF-UHFFFAOYSA-N -1 3 306.749 4.088 20 0 DIADHM COc1cc(-c2ccccc2)ccc1C=Cc1nccc(=O)[n-]1 ZINC000781110549 1046423659 /nfs/dbraw/zinc/42/36/59/1046423659.db2.gz HDIHUNWPLHXGST-KTKRTIGZSA-N -1 3 304.349 4.028 20 0 DIADHM COc1ccccc1CO[N-]C(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001139370575 1046440259 /nfs/dbraw/zinc/44/02/59/1046440259.db2.gz BRPPWXDTARJCDM-LSDHHAIUSA-N -1 3 319.445 4.096 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CSc3ccccc32)c1 ZINC000677190159 1046473241 /nfs/dbraw/zinc/47/32/41/1046473241.db2.gz ZADFKAAMVQSUHE-ZDUSSCGKSA-N -1 3 313.422 4.089 20 0 DIADHM O=C(C[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC000677212068 1046475137 /nfs/dbraw/zinc/47/51/37/1046475137.db2.gz JTLOBIOMCWPHEJ-GFCCVEGCSA-N -1 3 301.773 4.104 20 0 DIADHM O=C(CCc1ccc(Cl)s1)Nc1ccc(Cl)cc1[O-] ZINC000677213590 1046475231 /nfs/dbraw/zinc/47/52/31/1046475231.db2.gz QRYSVSDRGUVVLC-UHFFFAOYSA-N -1 3 316.209 4.332 20 0 DIADHM CCC1(CC)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001137298585 1046494773 /nfs/dbraw/zinc/49/47/73/1046494773.db2.gz VHNXKJXZEDOVGK-UHFFFAOYSA-N -1 3 303.427 4.259 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(C)C)c1 ZINC001137297690 1046496348 /nfs/dbraw/zinc/49/63/48/1046496348.db2.gz CLJYVXOBEDTSKZ-HXUWFJFHSA-N -1 3 323.436 4.350 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1C ZINC000642324070 1046597674 /nfs/dbraw/zinc/59/76/74/1046597674.db2.gz VENKULFLGWCJED-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc(C(=O)N(C)c2cccc3ccccc32)c([O-])c1C ZINC000678309796 1046617683 /nfs/dbraw/zinc/61/76/83/1046617683.db2.gz UDCTTZHINJLDCK-UHFFFAOYSA-N -1 3 305.377 4.439 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC[C@H]1C1CC1 ZINC000678310531 1046618112 /nfs/dbraw/zinc/61/81/12/1046618112.db2.gz MTVHVMKBPZQGBY-SFHVURJKSA-N -1 3 323.392 4.199 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000834556287 1046630337 /nfs/dbraw/zinc/63/03/37/1046630337.db2.gz YSMGTBAISBNCFK-LLVKDONJSA-N -1 3 309.278 4.150 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)c(Cl)c1 ZINC000533159684 1046661200 /nfs/dbraw/zinc/66/12/00/1046661200.db2.gz QJTUBDLAZKHGKG-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000533159633 1046660767 /nfs/dbraw/zinc/66/07/67/1046660767.db2.gz MWNDJXXGRHPGGO-WDEREUQCSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1ccsc1CCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000533512944 1046739553 /nfs/dbraw/zinc/73/95/53/1046739553.db2.gz AKKSHWNZLINITK-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM Cc1[nH]c(CN2CCCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140493570 1046752741 /nfs/dbraw/zinc/75/27/41/1046752741.db2.gz DCCMRWXTNWFZOM-KRWDZBQOSA-N -1 3 312.413 4.057 20 0 DIADHM Cc1[nH]c(CN(C)[C@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001140497592 1046754119 /nfs/dbraw/zinc/75/41/19/1046754119.db2.gz NGUHPUXZRNMKDZ-GFCCVEGCSA-N -1 3 320.820 4.176 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCc3c2cccc3Cl)c1Cl ZINC000645150758 1046771528 /nfs/dbraw/zinc/77/15/28/1046771528.db2.gz HPCOETDKFVFDIX-CQSZACIVSA-N -1 3 308.208 4.476 20 0 DIADHM [O-]c1cccc(CNCc2cccc(-c3ccccn3)c2)c1Cl ZINC000645169395 1046773976 /nfs/dbraw/zinc/77/39/76/1046773976.db2.gz DOABCMQIMHGMKP-UHFFFAOYSA-N -1 3 324.811 4.397 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H]2c2ccccc2)c1Br ZINC001140550891 1046776286 /nfs/dbraw/zinc/77/62/86/1046776286.db2.gz NNLLMPWGGDIJQR-CQSZACIVSA-N -1 3 318.214 4.102 20 0 DIADHM [O-]c1ccc(Nc2cccc(F)c2Br)c(F)c1F ZINC001212009018 1046815042 /nfs/dbraw/zinc/81/50/42/1046815042.db2.gz HVDIUYRMHIWJLI-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM O=C(c1ccc(Nc2ccc([O-])c(F)c2F)cc1)C(F)(F)F ZINC001212008920 1046813769 /nfs/dbraw/zinc/81/37/69/1046813769.db2.gz HFHDUVBWXSWLRG-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM [O-]c1ccc(Nc2ccccc2Br)c(F)c1F ZINC001212007694 1046815752 /nfs/dbraw/zinc/81/57/52/1046815752.db2.gz XXIUJYTZFDZAKI-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM COc1ccc(-n2cccc2)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212008852 1046815860 /nfs/dbraw/zinc/81/58/60/1046815860.db2.gz FWYCQBCGNALPDO-UHFFFAOYSA-N -1 3 316.307 4.213 20 0 DIADHM COc1cc(Nc2ccc([O-])c(F)c2F)ccc1-c1cnco1 ZINC001212011218 1046819744 /nfs/dbraw/zinc/81/97/44/1046819744.db2.gz YHIDQRLCNMUKER-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM O=C(c1ccccc1Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC001212016355 1046823749 /nfs/dbraw/zinc/82/37/49/1046823749.db2.gz MALVJIPEXUCATE-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM Nc1cc(F)cc(C(F)(F)F)c1Nc1ccc([O-])c(F)c1F ZINC001212016177 1046825095 /nfs/dbraw/zinc/82/50/95/1046825095.db2.gz BRWKAKDMXOITLB-UHFFFAOYSA-N -1 3 322.208 4.154 20 0 DIADHM [O-]c1ccc(Nc2ccc3ncnc(Cl)c3c2)c(F)c1F ZINC001212016614 1046826073 /nfs/dbraw/zinc/82/60/73/1046826073.db2.gz YRFQKWSQZGBPNC-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000646565216 1046911211 /nfs/dbraw/zinc/91/12/11/1046911211.db2.gz OBYSHVYUAYTPHH-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c([O-])c1 ZINC000646554420 1046911230 /nfs/dbraw/zinc/91/12/30/1046911230.db2.gz WMQDBAKSRXPMAK-GOSISDBHSA-N -1 3 324.424 4.134 20 0 DIADHM CCc1ccccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646625838 1046915535 /nfs/dbraw/zinc/91/55/35/1046915535.db2.gz FIOWZEXVJBKCBT-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM O=C(Nc1cccc2[nH]ccc21)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646792509 1046923619 /nfs/dbraw/zinc/92/36/19/1046923619.db2.gz QEVRFPMMKGCHDO-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC001140854237 1046930354 /nfs/dbraw/zinc/93/03/54/1046930354.db2.gz PWQZHZCKEWQJCT-ROUUACIJSA-N -1 3 323.436 4.404 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H](Cc3ccccc3)C2)c(F)c1F ZINC001140893104 1046944050 /nfs/dbraw/zinc/94/40/50/1046944050.db2.gz FPROXPYVEMXAJR-OAHLLOKOSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H](c3ccccc3)C2)c(F)c1F ZINC001140890754 1046944583 /nfs/dbraw/zinc/94/45/83/1046944583.db2.gz KTALGELBTGSNNE-CQSZACIVSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c(F)c1F ZINC001140895440 1046947042 /nfs/dbraw/zinc/94/70/42/1046947042.db2.gz QQLFSRKUVONIPB-OAHLLOKOSA-N -1 3 321.342 4.017 20 0 DIADHM CC1(c2ccccc2)CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140992100 1046972762 /nfs/dbraw/zinc/97/27/62/1046972762.db2.gz MVABWQPZLZNSCM-UHFFFAOYSA-N -1 3 317.379 4.224 20 0 DIADHM Cc1cccc(CN(Cc2cc(F)c([O-])c(F)c2)C2CC2)c1C ZINC001140992055 1046973109 /nfs/dbraw/zinc/97/31/09/1046973109.db2.gz KTUYMVVDADOVKI-UHFFFAOYSA-N -1 3 317.379 4.452 20 0 DIADHM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000263424747 1046992434 /nfs/dbraw/zinc/99/24/34/1046992434.db2.gz QDZMUKBNNMGXQS-UHFFFAOYSA-N -1 3 323.845 4.365 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000647499284 1047003616 /nfs/dbraw/zinc/00/36/16/1047003616.db2.gz RWMBQYSUKZSVKS-SJORKVTESA-N -1 3 309.409 4.196 20 0 DIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nc(C2CCC2)no1 ZINC000680693668 1047010603 /nfs/dbraw/zinc/01/06/03/1047010603.db2.gz KECKBCYZPZODNN-UHFFFAOYSA-N -1 3 322.364 4.289 20 0 DIADHM COCc1ccccc1-c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000680706082 1047013399 /nfs/dbraw/zinc/01/33/99/1047013399.db2.gz BXTPRFPXEMNPJW-UHFFFAOYSA-N -1 3 324.380 4.379 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccco2)C2CCCC2)c1[O-] ZINC000536688841 1047069455 /nfs/dbraw/zinc/06/94/55/1047069455.db2.gz JJAKFDZTSSDYAQ-UHFFFAOYSA-N -1 3 313.397 4.133 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c([O-])c1 ZINC000536690749 1047072468 /nfs/dbraw/zinc/07/24/68/1047072468.db2.gz AAWFGMRWTADBBB-ZDUSSCGKSA-N -1 3 313.422 4.232 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000536690789 1047073881 /nfs/dbraw/zinc/07/38/81/1047073881.db2.gz BPHLJSXHGPEHLP-CYBMUJFWSA-N -1 3 313.422 4.232 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000648620213 1047074031 /nfs/dbraw/zinc/07/40/31/1047074031.db2.gz BOJFWGMJYNECGL-UHFFFAOYSA-N -1 3 320.389 4.446 20 0 DIADHM O=C(N[C@@H](C1CCC1)C1CCCC1)c1cc([O-])ccc1Cl ZINC000649004590 1047102692 /nfs/dbraw/zinc/10/26/92/1047102692.db2.gz BLJWWMNCJOEMJR-MRXNPFEDSA-N -1 3 307.821 4.134 20 0 DIADHM CCC(C)(C)C1CCC(NC(=O)c2c([O-])cccc2OC)CC1 ZINC001141417234 1047124449 /nfs/dbraw/zinc/12/44/49/1047124449.db2.gz ORHFGOURNGYCCE-UHFFFAOYSA-N -1 3 319.445 4.126 20 0 DIADHM Cc1cccc2oc(C(=O)Nc3c([O-])cccc3Cl)cc21 ZINC001141468877 1047143606 /nfs/dbraw/zinc/14/36/06/1047143606.db2.gz BVLRGEFHRRZIDW-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CCc1ccc([C@H]2CCN(C(=O)c3cc(CC)ccc3[O-])C2)cc1 ZINC001141526513 1047163341 /nfs/dbraw/zinc/16/33/41/1047163341.db2.gz BHLSRJRZJQWQQK-SFHVURJKSA-N -1 3 323.436 4.147 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001142513233 1047280064 /nfs/dbraw/zinc/28/00/64/1047280064.db2.gz BKAGAVFQZIEGBJ-CVEARBPZSA-N -1 3 303.446 4.241 20 0 DIADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000650807647 1047282486 /nfs/dbraw/zinc/28/24/86/1047282486.db2.gz DUUFSZNIVLZISA-CQSZACIVSA-N -1 3 323.845 4.364 20 0 DIADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001463241767 1047298925 /nfs/dbraw/zinc/29/89/25/1047298925.db2.gz TXCKKWKVXWCLGA-LLVKDONJSA-N -1 3 321.845 4.116 20 0 DIADHM CC(C)n1cc2c(n1)[C@H](N[C@@H](C)c1cccc([O-])c1F)CCC2 ZINC001119067025 1047322223 /nfs/dbraw/zinc/32/22/23/1047322223.db2.gz ZKIAAASWEBXLIC-SWLSCSKDSA-N -1 3 317.408 4.037 20 0 DIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)cc1[O-] ZINC000045601456 1047372060 /nfs/dbraw/zinc/37/20/60/1047372060.db2.gz CYGASXKRKYUHMZ-UHFFFAOYSA-N -1 3 309.818 4.078 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1sc(C(C)(C)C)nc1C ZINC000652876231 1047375688 /nfs/dbraw/zinc/37/56/88/1047375688.db2.gz NZPAVZRPLZWOQI-UHFFFAOYSA-N -1 3 321.471 4.118 20 0 DIADHM CCN(Cc1ccncc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142102560 1047380860 /nfs/dbraw/zinc/38/08/60/1047380860.db2.gz XGSKHOODVIJKKJ-UHFFFAOYSA-N -1 3 311.212 4.116 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@H](C(F)F)C2)c(Cl)c1 ZINC001142114418 1047382356 /nfs/dbraw/zinc/38/23/56/1047382356.db2.gz HRHNWXKDBHHSKW-QMMMGPOBSA-N -1 3 310.171 4.176 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC(c3ccccc3)C2)c(Cl)c1 ZINC001142114268 1047383237 /nfs/dbraw/zinc/38/32/37/1047383237.db2.gz DKMXIIVNUUUQLR-UHFFFAOYSA-N -1 3 308.208 4.298 20 0 DIADHM CC(C)(CC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000476390977 1047387803 /nfs/dbraw/zinc/38/78/03/1047387803.db2.gz PORFWBYJCPEAAU-UHFFFAOYSA-N -1 3 307.409 4.144 20 0 DIADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H](c2ccccc2)C1 ZINC001142149172 1047391052 /nfs/dbraw/zinc/39/10/52/1047391052.db2.gz GEZAAVZZGQYZEP-USXIJHARSA-N -1 3 309.409 4.094 20 0 DIADHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(SC)ccc1[O-] ZINC001142234195 1047412086 /nfs/dbraw/zinc/41/20/86/1047412086.db2.gz RVJZJAXFPCNHTQ-UONOGXRCSA-N -1 3 321.486 4.450 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](CC(C)(C)C)C2)c1 ZINC001142358366 1047434015 /nfs/dbraw/zinc/43/40/15/1047434015.db2.gz KFMBCNOODDGQOL-GFCCVEGCSA-N -1 3 307.459 4.012 20 0 DIADHM Cc1ccc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)cc1C ZINC001142757431 1047490782 /nfs/dbraw/zinc/49/07/82/1047490782.db2.gz MIVUSESUTBFCRI-UHFFFAOYSA-N -1 3 309.409 4.164 20 0 DIADHM Cc1ccccc1C[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001142865909 1047506158 /nfs/dbraw/zinc/50/61/58/1047506158.db2.gz COPGVNLJRITDFB-OAHLLOKOSA-N -1 3 319.404 4.215 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[O-] ZINC001142962710 1047519785 /nfs/dbraw/zinc/51/97/85/1047519785.db2.gz BNBRNDYBEJHNRD-WBVHZDCISA-N -1 3 315.457 4.243 20 0 DIADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(C)cc1 ZINC001143084390 1047529723 /nfs/dbraw/zinc/52/97/23/1047529723.db2.gz VGBDRVKQHFETNK-MRXNPFEDSA-N -1 3 315.438 4.304 20 0 DIADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(C)cc1 ZINC001143084382 1047529998 /nfs/dbraw/zinc/52/99/98/1047529998.db2.gz VGBDRVKQHFETNK-INIZCTEOSA-N -1 3 315.438 4.304 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000060244993 1047536778 /nfs/dbraw/zinc/53/67/78/1047536778.db2.gz BSIDGLSDUCIPAX-CHWSQXEVSA-N -1 3 322.191 4.441 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)c1[O-] ZINC001149191064 1047557364 /nfs/dbraw/zinc/55/73/64/1047557364.db2.gz AZCAMNGTHMFYHR-CRAIPNDOSA-N -1 3 323.436 4.048 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)c([O-])c1 ZINC001149328477 1047559584 /nfs/dbraw/zinc/55/95/84/1047559584.db2.gz KGSPWOPLMCYJLX-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c([O-])c1 ZINC001149701846 1047568040 /nfs/dbraw/zinc/56/80/40/1047568040.db2.gz HONPHHBSJOIKBF-UWJYYQICSA-N -1 3 321.420 4.242 20 0 DIADHM Cc1coc(-c2cc(NC(=O)c3c(C)cccc3[O-])ccc2C)n1 ZINC001149708929 1047568531 /nfs/dbraw/zinc/56/85/31/1047568531.db2.gz PGIXWRRJWICJBN-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001150216182 1047575245 /nfs/dbraw/zinc/57/52/45/1047575245.db2.gz LTCYETZTILHYFI-HOTGVXAUSA-N -1 3 323.436 4.190 20 0 DIADHM CCCOc1cc(F)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001150445810 1047577616 /nfs/dbraw/zinc/57/76/16/1047577616.db2.gz NJYRNMUDORNBIB-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM Cc1cc2cc(C(=O)Nc3cc([O-])cc(Cl)c3)ccc2o1 ZINC001150745120 1047583131 /nfs/dbraw/zinc/58/31/31/1047583131.db2.gz GZPMJGIYPRCSAX-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM Cc1ccc([C@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000315378575 1047605241 /nfs/dbraw/zinc/60/52/41/1047605241.db2.gz HAWXAHWXZNCOGN-LBPRGKRZSA-N -1 3 320.230 4.314 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2c(F)cccc2F)n1 ZINC000477344841 1047614600 /nfs/dbraw/zinc/61/46/00/1047614600.db2.gz ASWQSJCKSQQQKT-VIFPVBQESA-N -1 3 310.369 4.017 20 0 DIADHM Cc1ccc(CCCCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC001152775634 1047615429 /nfs/dbraw/zinc/61/54/29/1047615429.db2.gz WFKQJNCPYBOILY-UHFFFAOYSA-N -1 3 317.351 4.098 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(SC)c2C)c1 ZINC001152752634 1047615743 /nfs/dbraw/zinc/61/57/43/1047615743.db2.gz GSBHACSOIJUFKR-UHFFFAOYSA-N -1 3 301.411 4.237 20 0 DIADHM CCc1ccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001152806450 1047615780 /nfs/dbraw/zinc/61/57/80/1047615780.db2.gz RGCLWHQWMOBKAD-CYBMUJFWSA-N -1 3 317.351 4.052 20 0 DIADHM O=c1ccnc(C(=Cc2ccc(Cl)cc2)Cc2ccccc2)[n-]1 ZINC000477406052 1047617522 /nfs/dbraw/zinc/61/75/22/1047617522.db2.gz NZIGRLYUXSXYFE-SSZFMOIBSA-N -1 3 322.795 4.207 20 0 DIADHM O=c1ccnc(C(=Cc2cccc(Cl)c2)Cc2ccccc2)[n-]1 ZINC000477415409 1047619275 /nfs/dbraw/zinc/61/92/75/1047619275.db2.gz IGFDYLHOKHTXJF-FOWTUZBSSA-N -1 3 322.795 4.207 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2sccc21 ZINC001153438202 1047624271 /nfs/dbraw/zinc/62/42/71/1047624271.db2.gz VRFXHMIYWCJUQV-UHFFFAOYSA-N -1 3 311.362 4.062 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1snc(Cl)c1Cl ZINC001153461156 1047625273 /nfs/dbraw/zinc/62/52/73/1047625273.db2.gz JDNIWOXQJQCZCO-UHFFFAOYSA-N -1 3 323.588 4.061 20 0 DIADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCc2ccccc2C1 ZINC001153461748 1047625280 /nfs/dbraw/zinc/62/52/80/1047625280.db2.gz OYCBETCNWMNDKW-GOSISDBHSA-N -1 3 315.800 4.179 20 0 DIADHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC001153729333 1047631693 /nfs/dbraw/zinc/63/16/93/1047631693.db2.gz KXGCWGYLFNFJCV-CQSZACIVSA-N -1 3 315.800 4.023 20 0 DIADHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc2sccc2c([O-])c1 ZINC001153721155 1047631983 /nfs/dbraw/zinc/63/19/83/1047631983.db2.gz BEVHWNNPVAAJAR-VIFPVBQESA-N -1 3 317.332 4.068 20 0 DIADHM CC(C)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1F ZINC001153950560 1047636438 /nfs/dbraw/zinc/63/64/38/1047636438.db2.gz NTSQQWMEDJZDPJ-MRXNPFEDSA-N -1 3 321.779 4.312 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2Cl)c([O-])c1 ZINC001154490769 1047649852 /nfs/dbraw/zinc/64/98/52/1047649852.db2.gz IJAOZSFHMTUAEX-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OC1CCCCC1 ZINC001155056504 1047665931 /nfs/dbraw/zinc/66/59/31/1047665931.db2.gz SFROCAIVAUGXDU-HUUCEWRRSA-N -1 3 301.430 4.356 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000667059212 1047667553 /nfs/dbraw/zinc/66/75/53/1047667553.db2.gz WIORFEJIRNWZSP-UHFFFAOYSA-N -1 3 305.443 4.051 20 0 DIADHM CCCc1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000041330850 1047695336 /nfs/dbraw/zinc/69/53/36/1047695336.db2.gz ANYUWOOARWXAPZ-UHFFFAOYSA-N -1 3 321.789 4.143 20 0 DIADHM CCc1ccc(C(=O)NC(C2CCCC2)C2CCCC2)c([O-])c1 ZINC001156358736 1047708655 /nfs/dbraw/zinc/70/86/55/1047708655.db2.gz SSXNNMZSTMRCHF-UHFFFAOYSA-N -1 3 315.457 4.433 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](CC)Cc2ccccc2)c1[O-] ZINC000538764613 1047711701 /nfs/dbraw/zinc/71/17/01/1047711701.db2.gz PTMCTXREGSDXCW-QGZVFWFLSA-N -1 3 311.425 4.048 20 0 DIADHM Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c([O-])c1 ZINC001157694423 1047749757 /nfs/dbraw/zinc/74/97/57/1047749757.db2.gz CVUKAYRUTUAWIY-UHFFFAOYSA-N -1 3 315.800 4.163 20 0 DIADHM CCSCc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001158324614 1047774575 /nfs/dbraw/zinc/77/45/75/1047774575.db2.gz KMSNMYWKMQKEDU-UHFFFAOYSA-N -1 3 315.438 4.460 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001158724220 1047795029 /nfs/dbraw/zinc/79/50/29/1047795029.db2.gz DPESEHKJNAOACK-CQSZACIVSA-N -1 3 305.377 4.345 20 0 DIADHM Cc1sccc1Nc1cc(Br)cc(F)c1[O-] ZINC001174461460 1047843012 /nfs/dbraw/zinc/84/30/12/1047843012.db2.gz QQRROTILSBEXIL-UHFFFAOYSA-N -1 3 302.168 4.407 20 0 DIADHM Cc1cc(O)ccc1Nc1cc(Br)cc(F)c1[O-] ZINC001174565489 1047906864 /nfs/dbraw/zinc/90/68/64/1047906864.db2.gz XNNTZVMDLCDYKI-UHFFFAOYSA-N -1 3 312.138 4.051 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001198083710 1047924421 /nfs/dbraw/zinc/92/44/21/1047924421.db2.gz WSELPOPKRJKMBR-UHFFFAOYSA-N -1 3 306.312 4.009 20 0 DIADHM [O-]c1cccc(Nc2ccc3c(c2)CCCO3)c1Br ZINC001174722248 1047954551 /nfs/dbraw/zinc/95/45/51/1047954551.db2.gz UMLMMXALSHIFGT-UHFFFAOYSA-N -1 3 320.186 4.223 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccccc2C)c(Cl)c1[O-] ZINC001198428415 1047954830 /nfs/dbraw/zinc/95/48/30/1047954830.db2.gz DOWHDEWEUFOBBG-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM CC(=O)c1cc(Nc2ccc([O-])c(F)c2)ccc1Br ZINC001174739078 1047959186 /nfs/dbraw/zinc/95/91/86/1047959186.db2.gz ODAKUTYKRAJUIM-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c1 ZINC001174832064 1047987098 /nfs/dbraw/zinc/98/70/98/1047987098.db2.gz JPGAHAOPCYJQSE-OLZOCXBDSA-N -1 3 319.470 4.012 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccc(Oc2cccnc2)cc1 ZINC001174847107 1047997095 /nfs/dbraw/zinc/99/70/95/1047997095.db2.gz ARWUHXXZNIWRFC-UHFFFAOYSA-N -1 3 313.744 4.372 20 0 DIADHM Cc1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c([O-])c1 ZINC001161053935 1048105098 /nfs/dbraw/zinc/10/50/98/1048105098.db2.gz ZYVXZKVTJDQHQG-LJQANCHMSA-N -1 3 321.420 4.458 20 0 DIADHM CC(=O)n1ccc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175099785 1048115834 /nfs/dbraw/zinc/11/58/34/1048115834.db2.gz SQTJKKVSWQIGFR-UHFFFAOYSA-N -1 3 302.280 4.029 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(F)ccc2Br)c(F)c1 ZINC001175100321 1048116431 /nfs/dbraw/zinc/11/64/31/1048116431.db2.gz POAUTZSQMHGOFJ-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1cc(F)c(Nc2c(O)cccc2C(F)(F)F)c(F)c1 ZINC001175099774 1048116585 /nfs/dbraw/zinc/11/65/85/1048116585.db2.gz SEZMEBMHEUNLPI-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM [O-]c1cc(F)c(Nc2ccccc2Br)c(F)c1 ZINC001175100315 1048116667 /nfs/dbraw/zinc/11/66/67/1048116667.db2.gz MJLQCSNRJREJKG-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(F)c2N2CCCC2)c(F)c1 ZINC001175103087 1048117472 /nfs/dbraw/zinc/11/74/72/1048117472.db2.gz SXBDPGQRNKDKFI-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC001161356938 1048124900 /nfs/dbraw/zinc/12/49/00/1048124900.db2.gz HNEHTJZFQXGULU-HKUYNNGSSA-N -1 3 323.436 4.363 20 0 DIADHM CCOc1ccc(C)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001175122654 1048152917 /nfs/dbraw/zinc/15/29/17/1048152917.db2.gz AUXLOLGUCXPNRC-UHFFFAOYSA-N -1 3 309.369 4.029 20 0 DIADHM CCCCCC[C@H](CC)CN(C)C(=O)c1c([O-])cccc1O ZINC001161683304 1048153435 /nfs/dbraw/zinc/15/34/35/1048153435.db2.gz CWTBUHORHAOBLM-AWEZNQCLSA-N -1 3 307.434 4.166 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC001161704438 1048157267 /nfs/dbraw/zinc/15/72/67/1048157267.db2.gz HNBLIIKKZMIFSO-BMGDILEWSA-N -1 3 323.436 4.403 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC001161704439 1048157375 /nfs/dbraw/zinc/15/73/75/1048157375.db2.gz HNBLIIKKZMIFSO-FHLIZLRMSA-N -1 3 323.436 4.403 20 0 DIADHM [O-]c1cccc(Nc2c(F)cc(F)cc2F)c1Br ZINC001175147629 1048169916 /nfs/dbraw/zinc/16/99/16/1048169916.db2.gz UYNVQMYFBLPHNI-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM O=C(CCCc1csc2ccccc12)[N-]OC1CCCC1 ZINC000774873880 1048178118 /nfs/dbraw/zinc/17/81/18/1048178118.db2.gz FJCJFJJFGIWZRS-UHFFFAOYSA-N -1 3 303.427 4.214 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cccc(Cl)c1 ZINC001201105549 1048192740 /nfs/dbraw/zinc/19/27/40/1048192740.db2.gz UXSBVAGIOUBUGK-UHFFFAOYSA-N -1 3 320.801 4.057 20 0 DIADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000773475031 1048195765 /nfs/dbraw/zinc/19/57/65/1048195765.db2.gz ZVUGRKIJXHNQHK-GFCCVEGCSA-N -1 3 323.314 4.309 20 0 DIADHM CSc1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001201184864 1048210408 /nfs/dbraw/zinc/21/04/08/1048210408.db2.gz AWKBYNAOEZMNFP-UHFFFAOYSA-N -1 3 308.403 4.062 20 0 DIADHM CSc1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001201184963 1048210720 /nfs/dbraw/zinc/21/07/20/1048210720.db2.gz DITVNBICAIXHMD-UHFFFAOYSA-N -1 3 308.403 4.062 20 0 DIADHM Nc1cc(Cl)c(Cl)cc1Nc1c(F)ccc([O-])c1F ZINC001175268083 1048246805 /nfs/dbraw/zinc/24/68/05/1048246805.db2.gz GTVMHQOYNSEYOD-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM CC[C@H](C)c1ccc([C@@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC001162020698 1048216143 /nfs/dbraw/zinc/21/61/43/1048216143.db2.gz NDPHOBLRGVMAEE-GUYCJALGSA-N -1 3 323.444 4.049 20 0 DIADHM Cc1c(Br)cccc1Nc1c(F)ccc([O-])c1F ZINC001175264821 1048243531 /nfs/dbraw/zinc/24/35/31/1048243531.db2.gz IJVMMJBVFPRBDU-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Nc1ccc(Nc2c(F)ccc([O-])c2F)c(C(F)(F)F)c1 ZINC001175264731 1048244389 /nfs/dbraw/zinc/24/43/89/1048244389.db2.gz FVEBUMFSRYVIEH-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM COc1cc(Nc2c(F)ccc([O-])c2F)ccc1-c1cnco1 ZINC001175268502 1048245220 /nfs/dbraw/zinc/24/52/20/1048245220.db2.gz QXXOGSKGVCKAJN-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Cc3ccncc3)cc2)c1F ZINC001175265897 1048245819 /nfs/dbraw/zinc/24/58/19/1048245819.db2.gz QVVSRFQUOYUZKG-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM Cc1ccc(-c2cc(Nc3c(F)ccc([O-])c3F)n(C)n2)cc1 ZINC001175265180 1048245933 /nfs/dbraw/zinc/24/59/33/1048245933.db2.gz DBIFMJSNCOORSZ-UHFFFAOYSA-N -1 3 315.323 4.123 20 0 DIADHM CC1(C)CC(=O)Nc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175268119 1048246383 /nfs/dbraw/zinc/24/63/83/1048246383.db2.gz KTNOBSVUQNWUCC-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM COc1cc(Nc2c(F)ccc([O-])c2F)ccc1C(F)(F)F ZINC001175268639 1048246553 /nfs/dbraw/zinc/24/65/53/1048246553.db2.gz OUZUNKQRKFCHRI-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1ccc(F)c(Nc2cnnc3ccc(Cl)cc32)c1F ZINC001175266748 1048246824 /nfs/dbraw/zinc/24/68/24/1048246824.db2.gz ZBZSHIURGSYYQO-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc3ncnc(Cl)c3c2)c1F ZINC001175270925 1048247979 /nfs/dbraw/zinc/24/79/79/1048247979.db2.gz OEZXTXFMNQSSLA-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM COc1c(Nc2c(F)ccc([O-])c2F)cccc1C(F)(F)F ZINC001175268860 1048248348 /nfs/dbraw/zinc/24/83/48/1048248348.db2.gz ZPOOEDYYDOFUDK-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CCSc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000480805187 1048250036 /nfs/dbraw/zinc/25/00/36/1048250036.db2.gz KEMHBFNXGKDESR-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM [O-]c1cc(Cl)c(Nc2ccc(N3CCCC3)nc2)cc1Cl ZINC001175350578 1048271163 /nfs/dbraw/zinc/27/11/63/1048271163.db2.gz AYBAPLMWQNZNPC-UHFFFAOYSA-N -1 3 324.211 4.438 20 0 DIADHM c1cc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cs1 ZINC001175432313 1048304958 /nfs/dbraw/zinc/30/49/58/1048304958.db2.gz ZXKMEGQYIFQCMW-UHFFFAOYSA-N -1 3 319.393 4.339 20 0 DIADHM O=c1cc(NC=Cc2ccc(Cl)cc2)[n-]n1-c1ccccc1 ZINC001175593751 1048363035 /nfs/dbraw/zinc/36/30/35/1048363035.db2.gz IGRQIJQGPZHEHS-ZHACJKMWSA-N -1 3 311.772 4.314 20 0 DIADHM CC(C)(C)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001187181536 1048380795 /nfs/dbraw/zinc/38/07/95/1048380795.db2.gz YMYMUGTVIDXEQV-UHFFFAOYSA-N -1 3 324.273 4.098 20 0 DIADHM Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1[O-] ZINC001201938148 1048398094 /nfs/dbraw/zinc/39/80/94/1048398094.db2.gz WJHABVGFZWVEBI-GXTWGEPZSA-N -1 3 316.788 4.032 20 0 DIADHM Cc1cc([O-])c(NC(=O)Nc2ccccc2)cc1Br ZINC001201956069 1048408957 /nfs/dbraw/zinc/40/89/57/1048408957.db2.gz DRKUTFWFBWPXJD-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1ccccc1F ZINC001201987773 1048424974 /nfs/dbraw/zinc/42/49/74/1048424974.db2.gz MPGZTRDXSBEKJA-UHFFFAOYSA-N -1 3 303.318 4.186 20 0 DIADHM O=C(Nc1ccc(F)c(Cl)c1)Nc1cc([O-])cc(Cl)c1 ZINC001187699982 1048429460 /nfs/dbraw/zinc/42/94/60/1048429460.db2.gz RKEYMSAMMXHYKO-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM COc1ccccc1NC(=O)[N-]c1cc(-c2cccs2)no1 ZINC001202117520 1048456016 /nfs/dbraw/zinc/45/60/16/1048456016.db2.gz UIYJPFNQBIVQGY-UHFFFAOYSA-N -1 3 315.354 4.056 20 0 DIADHM COc1cc(F)c(C(C)C)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001175829396 1048456719 /nfs/dbraw/zinc/45/67/19/1048456719.db2.gz PQLLIYINPLKEQL-UHFFFAOYSA-N -1 3 307.369 4.382 20 0 DIADHM CCOc1ccccc1NC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001202148381 1048463306 /nfs/dbraw/zinc/46/33/06/1048463306.db2.gz UWTJIALPQUIYSJ-UHFFFAOYSA-N -1 3 320.776 4.397 20 0 DIADHM Cc1ccccc1NC(=O)Nc1ccc(Br)cc1[O-] ZINC001202186874 1048474797 /nfs/dbraw/zinc/47/47/97/1048474797.db2.gz APVRMORCEDVVIJ-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM Cc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001202186083 1048475023 /nfs/dbraw/zinc/47/50/23/1048475023.db2.gz UDNOBXYENXFLBU-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2OCCC(C)C)c1[O-] ZINC001163500039 1048478752 /nfs/dbraw/zinc/47/87/52/1048478752.db2.gz SDCAYXUPVAAYBV-UHFFFAOYSA-N -1 3 313.397 4.378 20 0 DIADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H]1c1cccs1 ZINC001142657252 1048498239 /nfs/dbraw/zinc/49/82/39/1048498239.db2.gz SFBVPNAXKNVKFD-AWEZNQCLSA-N -1 3 321.829 4.437 20 0 DIADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H]1c1ccccc1 ZINC001142657222 1048499060 /nfs/dbraw/zinc/49/90/60/1048499060.db2.gz RBJPZSQFVBFHOJ-KRWDZBQOSA-N -1 3 315.800 4.375 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSc2cc(F)ccc2F)o1 ZINC001188447192 1048515920 /nfs/dbraw/zinc/51/59/20/1048515920.db2.gz YPNZFDDCDAGYHZ-UHFFFAOYSA-N -1 3 320.320 4.013 20 0 DIADHM Cc1cccc(NC(=O)Nc2c([O-])cccc2Br)c1 ZINC001202315955 1048520904 /nfs/dbraw/zinc/52/09/04/1048520904.db2.gz RPBGYKAIZNGZGS-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM Cc1cccc(NC(=O)Nc2c([O-])cccc2C(F)(F)F)c1 ZINC001202314994 1048522332 /nfs/dbraw/zinc/52/23/32/1048522332.db2.gz RLXDZKMZANNOIL-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM Cc1nnc(-c2cccc(Nc3ccc([O-])c(Cl)c3)c2)o1 ZINC001175994834 1048523731 /nfs/dbraw/zinc/52/37/31/1048523731.db2.gz XYTWDCZXKKDTPN-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001188637986 1048539684 /nfs/dbraw/zinc/53/96/84/1048539684.db2.gz DQDKOHRRUSUKLB-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC(C)[C@@H](C)N(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001176088188 1048548462 /nfs/dbraw/zinc/54/84/62/1048548462.db2.gz UIGDLKFBCCUYKF-CQSZACIVSA-N -1 3 311.429 4.111 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc2ccccc21 ZINC001188944021 1048570986 /nfs/dbraw/zinc/57/09/86/1048570986.db2.gz RGYYORPUQJPOAG-UHFFFAOYSA-N -1 3 320.348 4.392 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3cc(F)cc(F)c3[O-])c2n1 ZINC001176119536 1048573848 /nfs/dbraw/zinc/57/38/48/1048573848.db2.gz SEGUXRRWMYKUNY-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)SCc2ccccc2C2CC2)n1 ZINC001189145876 1048596085 /nfs/dbraw/zinc/59/60/85/1048596085.db2.gz KTDUKRJVOPPAKX-GFCCVEGCSA-N -1 3 300.427 4.362 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Nc1cccc(Cl)c1Cl ZINC001189226075 1048604863 /nfs/dbraw/zinc/60/48/63/1048604863.db2.gz IIISZCBQUHDEFM-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM O=C(Nc1ccc([O-])c(F)c1)Nc1cccc(Cl)c1Cl ZINC001189226690 1048604959 /nfs/dbraw/zinc/60/49/59/1048604959.db2.gz NSKUHLXRLLZGFB-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CCCCOc1ccc(NC(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001189315173 1048616621 /nfs/dbraw/zinc/61/66/21/1048616621.db2.gz QEHHKGANJWJRSX-UHFFFAOYSA-N -1 3 318.348 4.354 20 0 DIADHM CC(C)(C)OC(=O)N1C=C(Nc2cccc([O-])c2Cl)CCC1 ZINC001213053622 1048659735 /nfs/dbraw/zinc/65/97/35/1048659735.db2.gz IHAZKGFRLONGIT-UHFFFAOYSA-N -1 3 324.808 4.330 20 0 DIADHM C=Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])cc1 ZINC001189765431 1048663804 /nfs/dbraw/zinc/66/38/04/1048663804.db2.gz ASICPHOEZXATPF-UHFFFAOYSA-N -1 3 323.270 4.186 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC(C2CCCCC2)CC1 ZINC001165427167 1048688901 /nfs/dbraw/zinc/68/89/01/1048688901.db2.gz RDXGBFYEPFMOJB-UHFFFAOYSA-N -1 3 301.430 4.133 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC001165780259 1048716505 /nfs/dbraw/zinc/71/65/05/1048716505.db2.gz SIJDCBSXHGGHHQ-QGZVFWFLSA-N -1 3 313.372 4.242 20 0 DIADHM C[C@@H](CSCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001166130730 1048735795 /nfs/dbraw/zinc/73/57/95/1048735795.db2.gz IKZAIGHFNKRUCE-LBPRGKRZSA-N -1 3 300.427 4.097 20 0 DIADHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190464216 1048740877 /nfs/dbraw/zinc/74/08/77/1048740877.db2.gz OPNCPXWQYYAPNX-UHFFFAOYSA-N -1 3 315.438 4.488 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(F)c2SC)c([O-])c1 ZINC001166349374 1048746181 /nfs/dbraw/zinc/74/61/81/1048746181.db2.gz SIJZWZQPNVBEFC-UHFFFAOYSA-N -1 3 305.374 4.068 20 0 DIADHM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(C2CC2)cc1 ZINC001190506161 1048746838 /nfs/dbraw/zinc/74/68/38/1048746838.db2.gz IWXLJHFRUDPCPX-UHFFFAOYSA-N -1 3 313.422 4.242 20 0 DIADHM [O-]c1ccccc1-c1nc(CSC[C@@H]2CC[C@H]3C[C@H]3C2)no1 ZINC001166594564 1048767807 /nfs/dbraw/zinc/76/78/07/1048767807.db2.gz JCMAYXALSAOMOK-FRRDWIJNSA-N -1 3 316.426 4.112 20 0 DIADHM CC(C)Oc1ncccc1Nc1cccc([O-])c1Br ZINC001176738059 1048776527 /nfs/dbraw/zinc/77/65/27/1048776527.db2.gz KOGKQVOXWHKIKV-UHFFFAOYSA-N -1 3 323.190 4.081 20 0 DIADHM CCC1(CC)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001177023242 1048816610 /nfs/dbraw/zinc/81/66/10/1048816610.db2.gz GWSPPVVBDUOTKG-UHFFFAOYSA-N -1 3 307.409 4.035 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSCc2ccccc2F)o1 ZINC001166983996 1048821081 /nfs/dbraw/zinc/82/10/81/1048821081.db2.gz KPOKZKCFOPSXKQ-UHFFFAOYSA-N -1 3 316.357 4.015 20 0 DIADHM CCCOc1ccccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001190994259 1048828762 /nfs/dbraw/zinc/82/87/62/1048828762.db2.gz ONGBMUUKOLYNMN-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM CC(C)(C)c1ccc(/C=C/C(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109691 1048832222 /nfs/dbraw/zinc/83/22/22/1048832222.db2.gz MXKNLKSZAJCTPW-JLHYYAGUSA-N -1 3 313.372 4.247 20 0 DIADHM CC(C)Cc1ccc(CCC(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109838 1048832767 /nfs/dbraw/zinc/83/27/67/1048832767.db2.gz SAOOSWWENKMYIA-UHFFFAOYSA-N -1 3 315.388 4.067 20 0 DIADHM O=C([N-]c1cc(-c2ccccc2Cl)no1)Nc1ccccn1 ZINC001191302441 1048919089 /nfs/dbraw/zinc/91/90/89/1048919089.db2.gz RHWPDWVSHACLCD-UHFFFAOYSA-N -1 3 314.732 4.034 20 0 DIADHM [O-]c1cccc(CNc2nc3cc(Cl)ccc3[nH]2)c1Cl ZINC001203571928 1048933848 /nfs/dbraw/zinc/93/38/48/1048933848.db2.gz LYIDWTDUAGFCEH-UHFFFAOYSA-N -1 3 308.168 4.187 20 0 DIADHM Cc1cccc([C@H](CC(=O)[O-])NCc2ccc(Cl)s2)c1 ZINC000904042917 1048959683 /nfs/dbraw/zinc/95/96/83/1048959683.db2.gz LZDGDJFCRSLGBU-ZDUSSCGKSA-N -1 3 309.818 4.016 20 0 DIADHM Cc1cccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)s2)c1 ZINC000904042916 1048960543 /nfs/dbraw/zinc/96/05/43/1048960543.db2.gz LZDGDJFCRSLGBU-CYBMUJFWSA-N -1 3 309.818 4.016 20 0 DIADHM Cc1cccc([C@H](CC(=O)[O-])NCc2cc(Cl)cs2)c1 ZINC000904046104 1048961650 /nfs/dbraw/zinc/96/16/50/1048961650.db2.gz VBCWBCUBVWSMEL-AWEZNQCLSA-N -1 3 309.818 4.016 20 0 DIADHM [O-]c1cccc(Nc2ccc(OCC(F)(F)F)nc2)c1Cl ZINC001203689389 1048963757 /nfs/dbraw/zinc/96/37/57/1048963757.db2.gz VYXDBHTYENCBPV-UHFFFAOYSA-N -1 3 318.682 4.125 20 0 DIADHM CCCOc1ccc(Nc2cc([O-])c(F)cc2F)c(F)c1F ZINC001203697351 1048968368 /nfs/dbraw/zinc/96/83/68/1048968368.db2.gz VUIXBZLBEHCACU-UHFFFAOYSA-N -1 3 315.266 4.481 20 0 DIADHM [O-]c1cc(Nc2ccc(N3CCCCC3)cc2)c(F)cc1F ZINC001203719943 1048978311 /nfs/dbraw/zinc/97/83/11/1048978311.db2.gz ZWVIHQCMIKOSBC-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2cc(C)ccc2Cl)c1[O-] ZINC001191703064 1048980979 /nfs/dbraw/zinc/98/09/79/1048980979.db2.gz PIFJQUPGTWFNQY-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM CCO[C@@H](c1noc(-c2ccc(C)cc2[O-])n1)C1CCCC1 ZINC000904144261 1048992304 /nfs/dbraw/zinc/99/23/04/1048992304.db2.gz XHJLRRHGTQVWTD-OAHLLOKOSA-N -1 3 302.374 4.018 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000855249266 1049021743 /nfs/dbraw/zinc/02/17/43/1049021743.db2.gz FLSPCDDUYDAGMT-UHFFFAOYSA-N -1 3 308.403 4.134 20 0 DIADHM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC001204154576 1049098573 /nfs/dbraw/zinc/09/85/73/1049098573.db2.gz LQSIJKMNPJIWCU-QGZVFWFLSA-N -1 3 315.800 4.375 20 0 DIADHM CC(C)c1cccnc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857162004 1049131055 /nfs/dbraw/zinc/13/10/55/1049131055.db2.gz FVBYQRKVKMSMMB-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM CN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000857440820 1049149599 /nfs/dbraw/zinc/14/95/99/1049149599.db2.gz ICMOOMMHKVPEPF-UHFFFAOYSA-N -1 3 315.388 4.034 20 0 DIADHM C[C@@H](N[C@@H](C)CCCC(C)(C)C(=O)[O-])c1c(F)cccc1F ZINC000905726883 1049244132 /nfs/dbraw/zinc/24/41/32/1049244132.db2.gz JDYPXPRWEDGWAX-NWDGAFQWSA-N -1 3 313.388 4.285 20 0 DIADHM C[C@@H](CCCC(C)(C)C(=O)[O-])N[C@@H](C)c1c(F)cccc1F ZINC000905726884 1049245000 /nfs/dbraw/zinc/24/50/00/1049245000.db2.gz JDYPXPRWEDGWAX-RYUDHWBXSA-N -1 3 313.388 4.285 20 0 DIADHM Cc1oc(CN2CCC(CC3CCCCC3)CC2)cc1C(=O)[O-] ZINC000905778340 1049247075 /nfs/dbraw/zinc/24/70/75/1049247075.db2.gz XEHRRZQKYPYRDD-UHFFFAOYSA-N -1 3 319.445 4.469 20 0 DIADHM O=C(Nc1ccc2[nH]ccc2c1)c1ccc([O-])cc1C(F)(F)F ZINC001193734492 1049249839 /nfs/dbraw/zinc/24/98/39/1049249839.db2.gz UCGYVDWMSNUOGW-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM Cc1ccc(F)cc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733174 1049250435 /nfs/dbraw/zinc/25/04/35/1049250435.db2.gz GMBNCRMKBYWCRJ-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C([O-])c1occc1CN1CCC(CC2CCCCC2)CC1 ZINC000905773022 1049252580 /nfs/dbraw/zinc/25/25/80/1049252580.db2.gz DTGYVRXZGMKOQX-UHFFFAOYSA-N -1 3 305.418 4.160 20 0 DIADHM [O-]c1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)c(F)c1F ZINC001179966569 1049255350 /nfs/dbraw/zinc/25/53/50/1049255350.db2.gz OTUOYEIUDWTBJN-INIZCTEOSA-N -1 3 315.363 4.322 20 0 DIADHM CC(C)(C)CC(C)(C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193757772 1049258869 /nfs/dbraw/zinc/25/88/69/1049258869.db2.gz COFZYHKFGJTKDU-UHFFFAOYSA-N -1 3 317.351 4.356 20 0 DIADHM O=C(Nc1cncc([O-])c1)c1ccccc1-c1cccc(Cl)c1 ZINC001193803252 1049266425 /nfs/dbraw/zinc/26/64/25/1049266425.db2.gz JNZVXYLFTNUJGP-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCc1nc(C(C)C)ccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000485498524 1049267857 /nfs/dbraw/zinc/26/78/57/1049267857.db2.gz CAILCBRWLCPUQZ-UHFFFAOYSA-N -1 3 318.804 4.379 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC000906279090 1049319244 /nfs/dbraw/zinc/31/92/44/1049319244.db2.gz UIJQFPVQBYDYIL-UHFFFAOYSA-N -1 3 316.279 4.279 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCC(F)(F)C2)c([O-])c1 ZINC001180256591 1049321747 /nfs/dbraw/zinc/32/17/47/1049321747.db2.gz DMRLWOJAVPYTGB-LBPRGKRZSA-N -1 3 311.372 4.071 20 0 DIADHM Cc1ccc2nc(-c3ccc([O-])cc3C(F)(F)F)ncc2c1 ZINC001205073326 1049362810 /nfs/dbraw/zinc/36/28/10/1049362810.db2.gz JOTPRKFZUWIESM-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM Cc1ccc(OC(=O)Nc2c([O-])cccc2Br)cc1 ZINC001194457734 1049374463 /nfs/dbraw/zinc/37/44/63/1049374463.db2.gz BQNYTJDYGYVQOB-UHFFFAOYSA-N -1 3 322.158 4.074 20 0 DIADHM O=C(Cc1cccc(-c2ccccc2)c1)Nc1ccc(F)c([O-])c1 ZINC001181101523 1049436800 /nfs/dbraw/zinc/43/68/00/1049436800.db2.gz QMROKNSUMIYZJS-UHFFFAOYSA-N -1 3 321.351 4.380 20 0 DIADHM Cc1cccc(C)c1OCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001153460533 1049449775 /nfs/dbraw/zinc/44/97/75/1049449775.db2.gz HCKJHWBTCBYRBO-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1c(C)cc(C)cc1C ZINC001181264034 1049457284 /nfs/dbraw/zinc/45/72/84/1049457284.db2.gz AGLSDRLRZSTDLI-UHFFFAOYSA-N -1 3 312.369 4.164 20 0 DIADHM COCOc1cc(C)ccc1Nc1nc2c(cccc2[O-])s1 ZINC001205441383 1049470737 /nfs/dbraw/zinc/47/07/37/1049470737.db2.gz OVOMFYYMRAHEBH-UHFFFAOYSA-N -1 3 316.382 4.037 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccc3)nc3[nH]ccc32)c(F)c1 ZINC001206037377 1049636389 /nfs/dbraw/zinc/63/63/89/1049636389.db2.gz GPMCXGJZRIRNQI-UHFFFAOYSA-N -1 3 305.312 4.088 20 0 DIADHM [O-]c1ccc(-c2nc(C(F)F)nc3ccc(F)cc32)c(F)c1 ZINC001206044696 1049639513 /nfs/dbraw/zinc/63/95/13/1049639513.db2.gz 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ZINC001210222463 1050163619 /nfs/dbraw/zinc/16/36/19/1050163619.db2.gz IQHUQPJTTILXKI-UHFFFAOYSA-N -1 3 309.724 4.140 20 0 DIADHM COc1cc2cccnc2c(Nc2cccc(Cl)c2[O-])c1 ZINC001210222272 1050163649 /nfs/dbraw/zinc/16/36/49/1050163649.db2.gz YJIZZODXMUBOOT-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1nc(F)c(F)c(Cl)c1F ZINC001210220648 1050163946 /nfs/dbraw/zinc/16/39/46/1050163946.db2.gz PAOUJSQGWXJCKP-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM CC1(C)C(=O)Nc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210223005 1050164917 /nfs/dbraw/zinc/16/49/17/1050164917.db2.gz HAVUSXDEWKNCEK-UHFFFAOYSA-N -1 3 302.761 4.019 20 0 DIADHM CC1(C)Cc2c(Nc3cccc(Cl)c3[O-])cccc2NC1=O ZINC001210222752 1050164990 /nfs/dbraw/zinc/16/49/90/1050164990.db2.gz WKEYLDDLPABNMW-UHFFFAOYSA-N -1 3 316.788 4.310 20 0 DIADHM CC(=O)N1CCCc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210222954 1050165471 /nfs/dbraw/zinc/16/54/71/1050165471.db2.gz FWMZRFWDJLESBK-UHFFFAOYSA-N -1 3 316.788 4.088 20 0 DIADHM O=C(Cc1cccc2ccccc21)[N-]OC/C=C/c1ccccc1 ZINC000733894761 1050186045 /nfs/dbraw/zinc/18/60/45/1050186045.db2.gz UCBBSRJUUCPVKX-JXMROGBWSA-N -1 3 317.388 4.144 20 0 DIADHM CC[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000573616282 1050220890 /nfs/dbraw/zinc/22/08/90/1050220890.db2.gz IREFSLRGYSUKCG-IINYFYTJSA-N -1 3 316.228 4.241 20 0 DIADHM CCC(CC)n1ccc(CO[N-]C(=O)CCC2CCCCC2)n1 ZINC000771183648 1050227420 /nfs/dbraw/zinc/22/74/20/1050227420.db2.gz UOHBQZLEQUGMPP-UHFFFAOYSA-N -1 3 321.465 4.153 20 0 DIADHM [O-]c1cccc(Nc2ccc3ocnc3c2)c1Br ZINC001210576625 1050304383 /nfs/dbraw/zinc/30/43/83/1050304383.db2.gz UEXMNJBSXFQFGY-UHFFFAOYSA-N -1 3 305.131 4.040 20 0 DIADHM Cc1ccc(Nc2cncc(N3CCCC3)c2)c(Cl)c1[O-] ZINC001210610764 1050312708 /nfs/dbraw/zinc/31/27/08/1050312708.db2.gz ZRTSOVGIUBLYSV-UHFFFAOYSA-N -1 3 303.793 4.093 20 0 DIADHM CC(C)Oc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000735274571 1050363123 /nfs/dbraw/zinc/36/31/23/1050363123.db2.gz IOLIOOWLDRJOMX-UHFFFAOYSA-N -1 3 301.367 4.236 20 0 DIADHM [O-]c1cccc(Nc2cc(Br)cnc2F)c1Cl ZINC001210844418 1050385049 /nfs/dbraw/zinc/38/50/49/1050385049.db2.gz GDOQAKRGLWITOV-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM [O-]c1cccc(Nc2ccc(O)c(Br)c2)c1Cl ZINC001210854398 1050393786 /nfs/dbraw/zinc/39/37/86/1050393786.db2.gz UFSHRZSVQFOQAX-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM COc1cccc2ncc(Nc3cccc([O-])c3Cl)cc21 ZINC001210854032 1050392297 /nfs/dbraw/zinc/39/22/97/1050392297.db2.gz VTLRYURHSFYNGN-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM COC(=O)c1c(C)ccc(Nc2cccc([O-])c2Cl)c1F ZINC001210859089 1050392755 /nfs/dbraw/zinc/39/27/55/1050392755.db2.gz AYNNSZNEKCZUSM-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM COc1ccc(Nc2cccc([O-])c2Cl)c2ccncc12 ZINC001210859217 1050392813 /nfs/dbraw/zinc/39/28/13/1050392813.db2.gz FQMNMSABYVNSQC-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM CCOC(=O)c1ccc(Nc2cccc([O-])c2Cl)c(F)c1 ZINC001210855102 1050393189 /nfs/dbraw/zinc/39/31/89/1050393189.db2.gz HMIYXMALXPSZCX-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM [O-]c1cccc(Nc2cc(O)ccc2Br)c1Cl ZINC001210854424 1050393221 /nfs/dbraw/zinc/39/32/21/1050393221.db2.gz WENMTFOAZFXGAU-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CCOC(=O)c1cccc(Nc2cccc([O-])c2Cl)c1C ZINC001210855003 1050393467 /nfs/dbraw/zinc/39/34/67/1050393467.db2.gz OVBPPEHPZJAKLL-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM COc1ccc2cccnc2c1Nc1cccc([O-])c1Cl ZINC001210860342 1050394758 /nfs/dbraw/zinc/39/47/58/1050394758.db2.gz WSRVNXIQRXCPNS-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)ccc1N1CCCC1 ZINC001210859389 1050395011 /nfs/dbraw/zinc/39/50/11/1050395011.db2.gz FUNIDRWMONEKQC-UHFFFAOYSA-N -1 3 318.804 4.398 20 0 DIADHM CN1c2cc(Nc3cccc([O-])c3Cl)ccc2C(C)(C)C1=O ZINC001210859304 1050395381 /nfs/dbraw/zinc/39/53/81/1050395381.db2.gz GTZKGBCLKSZFLI-UHFFFAOYSA-N -1 3 316.788 4.043 20 0 DIADHM CCOC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001210860085 1050395890 /nfs/dbraw/zinc/39/58/90/1050395890.db2.gz TULVUXXINFKUTO-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM COC(=O)c1c(C)c(Nc2cccc([O-])c2Cl)ccc1F ZINC001210859595 1050395914 /nfs/dbraw/zinc/39/59/14/1050395914.db2.gz HAGNFTVHBIISKZ-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM CC[C@@]1(C)CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000574331590 1050441752 /nfs/dbraw/zinc/44/17/52/1050441752.db2.gz GWRVIXNWRLGLJJ-HOCLYGCPSA-N -1 3 313.800 4.117 20 0 DIADHM C[C@@H](OC(=O)c1cc2occc2[n-]1)c1ncc(-c2ccccc2)o1 ZINC000786032123 1050446689 /nfs/dbraw/zinc/44/66/89/1050446689.db2.gz QTFBHRBMPNEPKQ-LLVKDONJSA-N -1 3 322.320 4.334 20 0 DIADHM O=C(OCc1ccc(Cl)cn1)c1cc2sccc2c([O-])c1 ZINC000786130245 1050456021 /nfs/dbraw/zinc/45/60/21/1050456021.db2.gz CHQNMTINWDNMBM-UHFFFAOYSA-N -1 3 319.769 4.012 20 0 DIADHM O=C(Cc1cccc(Cl)c1F)Nc1cc(Cl)ccc1[O-] ZINC000574560785 1050498213 /nfs/dbraw/zinc/49/82/13/1050498213.db2.gz PGSIGAHVPRFFHB-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM [O-]c1cc(Nc2ccc(C(F)(F)F)nc2Cl)c(F)cc1F ZINC001211201610 1050516802 /nfs/dbraw/zinc/51/68/02/1050516802.db2.gz 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O=c1cc(Nc2cc(F)c(Cl)cc2F)[n-]n1-c1ccccc1 ZINC001213937383 1050784477 /nfs/dbraw/zinc/78/44/77/1050784477.db2.gz JMSQGFODWCUOHN-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM O=c1ccnc(C=Cc2cnc(-c3ccc(Cl)cc3)s2)[n-]1 ZINC000789143748 1050796080 /nfs/dbraw/zinc/79/60/80/1050796080.db2.gz RNMPHEQFEXPHPZ-AATRIKPKSA-N -1 3 315.785 4.130 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2NC(C)C)c1 ZINC001146971590 1050854139 /nfs/dbraw/zinc/85/41/39/1050854139.db2.gz LHNGEGZYIJXLIV-UHFFFAOYSA-N -1 3 318.804 4.427 20 0 DIADHM CC(C)c1cc(Nc2ccc(C(N)=O)c([O-])c2)ccc1Cl ZINC001214318583 1050869694 /nfs/dbraw/zinc/86/96/94/1050869694.db2.gz HPJVOJZOLKIAEB-UHFFFAOYSA-N -1 3 304.777 4.012 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cnc(Cl)c(C)c2)CC)n1 ZINC000789829823 1050886559 /nfs/dbraw/zinc/88/65/59/1050886559.db2.gz VZHRDYMNZQXJOP-JYRVWZFOSA-N -1 3 317.820 4.030 20 0 DIADHM CCc1ccccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001147485386 1050887966 /nfs/dbraw/zinc/88/79/66/1050887966.db2.gz VZENPRZPPGLOLU-UHFFFAOYSA-N -1 3 305.377 4.038 20 0 DIADHM COCOc1ccc(Cl)cc1Nc1cccc(Cl)c1[O-] ZINC001214423640 1050900458 /nfs/dbraw/zinc/90/04/58/1050900458.db2.gz GCIUOPFHNDHFNO-UHFFFAOYSA-N -1 3 314.168 4.425 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001148038419 1050917194 /nfs/dbraw/zinc/91/71/94/1050917194.db2.gz HJRGTVAQJNGYSD-YJBOKZPZSA-N -1 3 323.436 4.220 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([O-])c1 ZINC001148038417 1050917283 /nfs/dbraw/zinc/91/72/83/1050917283.db2.gz HJRGTVAQJNGYSD-MAUKXSAKSA-N -1 3 323.436 4.220 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(N3CCCCC3)nc2)cc1Cl ZINC001214480673 1050917541 /nfs/dbraw/zinc/91/75/41/1050917541.db2.gz XVNUSABJYZIMBJ-UHFFFAOYSA-N -1 3 321.783 4.314 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2nc(C(F)(F)F)cs2)c1F ZINC001214554076 1050940220 /nfs/dbraw/zinc/94/02/20/1050940220.db2.gz KIRODYVWMXVSOQ-UHFFFAOYSA-N -1 3 312.675 4.404 20 0 DIADHM COC(=O)c1sc(C)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214553819 1050940309 /nfs/dbraw/zinc/94/03/09/1050940309.db2.gz BCCCKDSYEQSSFT-UHFFFAOYSA-N -1 3 315.753 4.085 20 0 DIADHM CC(C)c1nnc2ccc(Nc3c(Cl)ccc([O-])c3F)cn21 ZINC001214558008 1050941432 /nfs/dbraw/zinc/94/14/32/1050941432.db2.gz NZWPKBZIDMXFKJ-UHFFFAOYSA-N -1 3 320.755 4.094 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnc(Br)s2)c1F ZINC001214557626 1050941451 /nfs/dbraw/zinc/94/14/51/1050941451.db2.gz FJQWWHJTEVBBJO-UHFFFAOYSA-N -1 3 323.574 4.147 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cccc(-n3ccnc3)c2)c1F ZINC001214559647 1050941595 /nfs/dbraw/zinc/94/15/95/1050941595.db2.gz RUMFEGKHBCFREA-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM CC(C)c1nc2ccc(Nc3c(Cl)ccc([O-])c3F)cn2n1 ZINC001214559287 1050942131 /nfs/dbraw/zinc/94/21/31/1050942131.db2.gz LTPKDHZGLVMIIW-UHFFFAOYSA-N -1 3 320.755 4.094 20 0 DIADHM CC1(C)Oc2ccc(Nc3c(Cl)ccc([O-])c3F)cc2O1 ZINC001214559598 1050942795 /nfs/dbraw/zinc/94/27/95/1050942795.db2.gz QACRJXLVCSGSJX-UHFFFAOYSA-N -1 3 309.724 4.436 20 0 DIADHM COc1cccc2cc(Nc3c(Cl)ccc([O-])c3F)cnc21 ZINC001214557719 1050943131 /nfs/dbraw/zinc/94/31/31/1050943131.db2.gz HPZMHBTWRUZWHB-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM Nc1cc(Cl)c(Cl)nc1Nc1c(Cl)ccc([O-])c1F ZINC001214558221 1050943269 /nfs/dbraw/zinc/94/32/69/1050943269.db2.gz SZMXQZHPDGALDL-UHFFFAOYSA-N -1 3 322.554 4.212 20 0 DIADHM Cc1noc(-c2ccc(Nc3c(Cl)ccc([O-])c3F)cc2)n1 ZINC001214563599 1050943733 /nfs/dbraw/zinc/94/37/33/1050943733.db2.gz IXCAQDIGHVMPJP-UHFFFAOYSA-N -1 3 319.723 4.287 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc(-c3ccncn3)cc2)c1F ZINC001214563332 1050943806 /nfs/dbraw/zinc/94/38/06/1050943806.db2.gz AECYBIJRUUDURH-UHFFFAOYSA-N -1 3 315.735 4.385 20 0 DIADHM Cc1c(Cl)ccc(N)c1Nc1c(F)c([O-])ccc1Cl ZINC001214563573 1050943848 /nfs/dbraw/zinc/94/38/48/1050943848.db2.gz HSQMGLSDWZSTHB-UHFFFAOYSA-N -1 3 301.148 4.472 20 0 DIADHM COc1ccc2cccnc2c1Nc1c(Cl)ccc([O-])c1F ZINC001214565076 1050947011 /nfs/dbraw/zinc/94/70/11/1050947011.db2.gz WWIKKWXQCFWNCR-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM Cc1ccc(C(=O)Nc2ncccc2-c2ccccc2)c([O-])c1 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COc1ccc(-c2noc(-c3ccccc3[O-])n2)c2ccccc12 ZINC001215141850 1051086682 /nfs/dbraw/zinc/08/66/82/1051086682.db2.gz CKKYPBKZPFIANB-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001215139622 1051086782 /nfs/dbraw/zinc/08/67/82/1051086782.db2.gz HLMGAMORNAWPOP-UHFFFAOYSA-N -1 3 321.380 4.100 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001215142305 1051087078 /nfs/dbraw/zinc/08/70/78/1051087078.db2.gz WVNJKJIBPILXQX-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1c(-c2noc(-c3ccccc3[O-])n2)cccc1C(F)(F)F ZINC001215141839 1051087098 /nfs/dbraw/zinc/08/70/98/1051087098.db2.gz BNBPKYXJZULKEF-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001215139419 1051087254 /nfs/dbraw/zinc/08/72/54/1051087254.db2.gz CGOFJCQKEFSQGD-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3cc(C)cc(Cl)c3)no2)c1 ZINC001215155484 1051090586 /nfs/dbraw/zinc/09/05/86/1051090586.db2.gz 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[O-]c1cc(Cl)c(Nc2cc3[nH]ncc3c(F)c2)cc1Cl ZINC001215555332 1051241926 /nfs/dbraw/zinc/24/19/26/1051241926.db2.gz HLUXTTZQRWYFNX-UHFFFAOYSA-N -1 3 312.131 4.458 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(-c3ccc(F)cc3)no2)cc1F ZINC001215570483 1051251870 /nfs/dbraw/zinc/25/18/70/1051251870.db2.gz IARUEANIMIWUFB-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM O=C([O-])c1c(Cl)ccc(Nc2ccnc(C3CC3)c2)c1F ZINC001215695836 1051308746 /nfs/dbraw/zinc/30/87/46/1051308746.db2.gz KUDGBVKHAAITHZ-UHFFFAOYSA-N -1 3 306.724 4.193 20 0 DIADHM CC(C)(C)C(=O)Nc1ccccc1Nc1ccc([O-])c(F)c1F ZINC001215834900 1051399507 /nfs/dbraw/zinc/39/95/07/1051399507.db2.gz QQLCOBYUEBHMQQ-UHFFFAOYSA-N -1 3 320.339 4.399 20 0 DIADHM CSc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1F ZINC001215838798 1051402681 /nfs/dbraw/zinc/40/26/81/1051402681.db2.gz GYQQHTBMTJPCDT-UHFFFAOYSA-N -1 3 310.247 4.437 20 0 DIADHM Cc1nn(C)c2ccc(Nc3c(Cl)ccc([O-])c3F)cc12 ZINC001214561296 1051404087 /nfs/dbraw/zinc/40/40/87/1051404087.db2.gz DVVDZFGWPUBGLH-UHFFFAOYSA-N -1 3 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CTMLMEGTRFFQPU-UHFFFAOYSA-N -1 3 315.376 4.289 20 0 DIADHM O=C(/C=C/c1ccnc2ccccc12)Nc1c([O-])cccc1Cl ZINC000493372983 1051615939 /nfs/dbraw/zinc/61/59/39/1051615939.db2.gz UCEZRNVICVNNLH-CMDGGOBGSA-N -1 3 324.767 4.246 20 0 DIADHM [O-]c1cc(Nc2cnc3cc(C4CCC4)nn3c2)ccc1Cl ZINC001212590299 1051616182 /nfs/dbraw/zinc/61/61/82/1051616182.db2.gz FLSKEQOIWXVZCE-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(-c2ccccc2F)n1 ZINC001212590233 1051616209 /nfs/dbraw/zinc/61/62/09/1051616209.db2.gz BHKYZQUSRGZDOY-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM COc1nc(Nc2ccc(Cl)c([O-])c2)cc2ccccc21 ZINC001212591207 1051644755 /nfs/dbraw/zinc/64/47/55/1051644755.db2.gz ACOKFHQZNJQKFX-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cc(Nc2ccnc(OC(F)(F)F)c2)ccc1Cl ZINC001212591532 1051646798 /nfs/dbraw/zinc/64/67/98/1051646798.db2.gz QSAOUMCTJUKXSH-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM Nc1ccc(N(c2ccc(Cl)c([O-])c2)C2CCCC2)nc1 ZINC001212591605 1051647097 /nfs/dbraw/zinc/64/70/97/1051647097.db2.gz VMPVHPFIRBGUHG-UHFFFAOYSA-N -1 3 303.793 4.104 20 0 DIADHM Nc1cc(Nc2ccc(Cl)c([O-])c2)cc(C(F)(F)F)c1 ZINC001212592264 1051659489 /nfs/dbraw/zinc/65/94/89/1051659489.db2.gz HGPWTIUKLQJWHO-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM COc1ccc2cc(Nc3ccc(Cl)c([O-])c3)ccc2n1 ZINC001212593236 1051665169 /nfs/dbraw/zinc/66/51/69/1051665169.db2.gz HBPZXTAHQYSSPZ-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM CC1(C)C(=O)Nc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212593450 1051665548 /nfs/dbraw/zinc/66/55/48/1051665548.db2.gz RDQVWTPBAYOFBU-UHFFFAOYSA-N -1 3 302.761 4.019 20 0 DIADHM CC(C)OC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593502 1051667096 /nfs/dbraw/zinc/66/70/96/1051667096.db2.gz UWQRYEADVJFWII-UHFFFAOYSA-N -1 3 305.761 4.354 20 0 DIADHM [O-]c1cc(Nc2cc(O)ccc2Br)ccc1Cl ZINC001212592597 1051667128 /nfs/dbraw/zinc/66/71/28/1051667128.db2.gz XTVMDCBQMBWWKI-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Cc1ccc(Nc2cnc(Br)s2)c(Cl)c1[O-] ZINC001216268138 1051667395 /nfs/dbraw/zinc/66/73/95/1051667395.db2.gz WNAFSXULTXRUQR-UHFFFAOYSA-N -1 3 319.611 4.317 20 0 DIADHM COc1cc(Nc2ccc(Cl)c([O-])c2)ccc1N1CCCC1 ZINC001212593757 1051678828 /nfs/dbraw/zinc/67/88/28/1051678828.db2.gz IUQFMJGXEYPXSA-UHFFFAOYSA-N -1 3 318.804 4.398 20 0 DIADHM CC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)cc(C(C)=O)c1 ZINC001212593678 1051680010 /nfs/dbraw/zinc/68/00/10/1051680010.db2.gz DQVVEUSTRUSEDA-UHFFFAOYSA-N -1 3 303.745 4.194 20 0 DIADHM Cc1cn(-c2ccc(Nc3ccc(Cl)c([O-])c3)cc2F)cn1 ZINC001212594491 1051690395 /nfs/dbraw/zinc/69/03/95/1051690395.db2.gz ZYHOWIYSCJVIQH-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC1(C)COC(c2cccc(Nc3ccc(Cl)c([O-])c3)c2)=N1 ZINC001212595513 1051708443 /nfs/dbraw/zinc/70/84/43/1051708443.db2.gz XNEGRRHTGZESGI-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM COC(=O)c1c(C)ccc(Nc2ccc(Cl)c([O-])c2)c1F ZINC001212595543 1051710269 /nfs/dbraw/zinc/71/02/69/1051710269.db2.gz YPSAZLAKQAEONG-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM O=c1cc(Nc2cc(F)c(F)cc2Cl)n(C2CCCC2)[n-]1 ZINC001216368741 1051726291 /nfs/dbraw/zinc/72/62/91/1051726291.db2.gz ALXWDYHWWOIQGT-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM Cc1ccc(Nc2ccc(C(=O)N(C)C)cc2C)c(Cl)c1[O-] ZINC001212732454 1051730875 /nfs/dbraw/zinc/73/08/75/1051730875.db2.gz SWNOJXYGECFOAU-UHFFFAOYSA-N -1 3 318.804 4.108 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3ccccc3n2CC(F)(F)F)c1 ZINC000184589486 1051739453 /nfs/dbraw/zinc/73/94/53/1051739453.db2.gz JJMAZKXDTRVVCJ-UHFFFAOYSA-N -1 3 310.250 4.110 20 0 DIADHM Cc1ccc(Nc2cc(F)cc(C(C)(C)O)c2)c(Cl)c1[O-] ZINC001216492659 1051789795 /nfs/dbraw/zinc/78/97/95/1051789795.db2.gz HEPGTVCXDKLSFZ-UHFFFAOYSA-N -1 3 309.768 4.464 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3c(C)cccc3[O-])n2)c1F ZINC001216536520 1051810612 /nfs/dbraw/zinc/81/06/12/1051810612.db2.gz LTXQRQIDTMJUAE-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001216536870 1051810733 /nfs/dbraw/zinc/81/07/33/1051810733.db2.gz RPTXPDHWWAANHJ-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1ccc(Cl)cc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216537319 1051810775 /nfs/dbraw/zinc/81/07/75/1051810775.db2.gz ZDLOHZUJZQMWTL-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM COc1cc(Cl)cc(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216536743 1051810925 /nfs/dbraw/zinc/81/09/25/1051810925.db2.gz PUPPHPWMZFLJCT-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cccc(F)c2Cl)no1 ZINC001216536454 1051811903 /nfs/dbraw/zinc/81/19/03/1051811903.db2.gz LDPGQTIKEKMAPY-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM COc1c(F)cc(SC)cc1Nc1cc([O-])c(F)cc1F ZINC001216582692 1051824869 /nfs/dbraw/zinc/82/48/69/1051824869.db2.gz ORVIIMQBOCNZCC-UHFFFAOYSA-N -1 3 315.316 4.284 20 0 DIADHM CC[C@H](Sc1ncc(C(=O)OC)[n-]1)c1ccc(Cl)cc1 ZINC000187583694 1051850670 /nfs/dbraw/zinc/85/06/70/1051850670.db2.gz QFCREZIQWKYYDE-LBPRGKRZSA-N -1 3 310.806 4.093 20 0 DIADHM Cc1ccc(F)c(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1 ZINC001216702480 1051865923 /nfs/dbraw/zinc/86/59/23/1051865923.db2.gz UHYCWTYFYNIRLN-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC001216702152 1051866641 /nfs/dbraw/zinc/86/66/41/1051866641.db2.gz KNDYIHBTBWIKJB-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccc4cnccc4c3)no2)c1 ZINC001216702436 1051866884 /nfs/dbraw/zinc/86/68/84/1051866884.db2.gz SOLYYDWFDIWYDX-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)c2ccccc12 ZINC001216735460 1051870407 /nfs/dbraw/zinc/87/04/07/1051870407.db2.gz LKXGVWCQGCRBSS-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CCCc1cccc(C(C)C)c1NC([O-])=NO[C@H]1CCCCO1 ZINC001216734814 1051870518 /nfs/dbraw/zinc/87/05/18/1051870518.db2.gz XVZVHOSRYXMOCN-INIZCTEOSA-N -1 3 320.433 4.342 20 0 DIADHM CCCc1cccc(C(C)C)c1NC(=O)[N-]O[C@H]1CCCCO1 ZINC001216734814 1051870524 /nfs/dbraw/zinc/87/05/24/1051870524.db2.gz XVZVHOSRYXMOCN-INIZCTEOSA-N -1 3 320.433 4.342 20 0 DIADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001216735815 1051870636 /nfs/dbraw/zinc/87/06/36/1051870636.db2.gz XYRJHPVHXWYIOH-UHFFFAOYSA-N -1 3 323.135 4.122 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4cnccc4c3)no2)cc1F ZINC001216895229 1051902579 /nfs/dbraw/zinc/90/25/79/1051902579.db2.gz KHHFMNGLXZCYJB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc4cccnc43)no2)cc1F ZINC001216895427 1051903138 /nfs/dbraw/zinc/90/31/38/1051903138.db2.gz REGISXUROKKGRL-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccccc1-c1noc(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001216896180 1051903316 /nfs/dbraw/zinc/90/33/16/1051903316.db2.gz VLCUCQKURQPTEX-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc(Cl)c3F)no2)cc1F ZINC001216895743 1051904182 /nfs/dbraw/zinc/90/41/82/1051904182.db2.gz IHQHNEVJSASZRT-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cncc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)c1 ZINC001216907703 1051905567 /nfs/dbraw/zinc/90/55/67/1051905567.db2.gz PQHBRGAURSQQHC-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM Cc1cccnc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216907096 1051905744 /nfs/dbraw/zinc/90/57/44/1051905744.db2.gz CNSSGBAMSKCIPL-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cc(F)ccc1F ZINC001173952098 1051916227 /nfs/dbraw/zinc/91/62/27/1051916227.db2.gz DAGFCLIHEUTKNK-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CCOc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1[O-] ZINC001216957750 1051916569 /nfs/dbraw/zinc/91/65/69/1051916569.db2.gz ZVDSBWLIKPCWNA-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccc4occc4c3)no2)c1[O-] ZINC001216957135 1051916767 /nfs/dbraw/zinc/91/67/67/1051916767.db2.gz VEUVYJSPYJVASS-UHFFFAOYSA-N -1 3 322.320 4.254 20 0 DIADHM [O-]c1cc(F)cc(CNc2cccc(OC(F)(F)F)c2)c1 ZINC000223080717 1051942000 /nfs/dbraw/zinc/94/20/00/1051942000.db2.gz XKWIQXFNBJFKFA-UHFFFAOYSA-N -1 3 301.239 4.042 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001217085165 1051947887 /nfs/dbraw/zinc/94/78/87/1051947887.db2.gz HIGASUFLLHVSKH-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Fc1cc(-c2noc(-c3nc4ccccc4[n-]3)n2)ccc1Cl ZINC001217137248 1051972147 /nfs/dbraw/zinc/97/21/47/1051972147.db2.gz VBDVKSFLTKZPCN-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Fc1c(Cl)cccc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217136889 1051973582 /nfs/dbraw/zinc/97/35/82/1051973582.db2.gz KHEIVOVSKFHVDY-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1ccc(Cl)c(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217137427 1051974085 /nfs/dbraw/zinc/97/40/85/1051974085.db2.gz ZLEPBURTELHISX-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM CCCCNC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174123743 1052002959 /nfs/dbraw/zinc/00/29/59/1052002959.db2.gz UFBBFYKOPBISJX-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM Fc1ccccc1-c1noc(-c2nc3cc(Cl)ccc3[n-]2)n1 ZINC001217257138 1052008622 /nfs/dbraw/zinc/00/86/22/1052008622.db2.gz NJMFOSONYCGYAH-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Fc1ccccc1-c1noc(-c2nc3ccc(Cl)cc3[n-]2)n1 ZINC001217257138 1052008626 /nfs/dbraw/zinc/00/86/26/1052008626.db2.gz NJMFOSONYCGYAH-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccc(F)cc2)no1 ZINC001217453716 1052060581 /nfs/dbraw/zinc/06/05/81/1052060581.db2.gz QZNPDLDWOYGSAA-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2cccc(F)c2)no1 ZINC001217452935 1052060675 /nfs/dbraw/zinc/06/06/75/1052060675.db2.gz KAYWPPABOSWJAX-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM Cc1c(F)cccc1-c1noc(-c2ccc([O-])c3ncccc23)n1 ZINC001217492681 1052074847 /nfs/dbraw/zinc/07/48/47/1052074847.db2.gz JLACRIYFCQENDL-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@@H](C)CCSc2ccccc2)n1 ZINC000769849645 1052118493 /nfs/dbraw/zinc/11/84/93/1052118493.db2.gz ARLHMAFRJLNELO-ZDUSSCGKSA-N -1 3 320.483 4.295 20 0 DIADHM Cc1ccc(Nc2ccc(-c3cnn(C)c3)cc2)c(Cl)c1[O-] ZINC001174378958 1052137403 /nfs/dbraw/zinc/13/74/03/1052137403.db2.gz FAUSOHNCQSRLCQ-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM CC(C)n1cnc2cc(Nc3ccc(F)c(F)c3[O-])ccc21 ZINC001174384100 1052143543 /nfs/dbraw/zinc/14/35/43/1052143543.db2.gz FUHQRLBUGOMEIS-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM COc1ccc(F)c(F)c1Nc1nc2c(cccc2[O-])s1 ZINC001174422313 1052151810 /nfs/dbraw/zinc/15/18/10/1052151810.db2.gz WUWYDHKHLPCWDJ-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174425796 1052154463 /nfs/dbraw/zinc/15/44/63/1052154463.db2.gz JNOSZVZUVOJOGC-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c(Cl)cc1F ZINC000495366056 1052322835 /nfs/dbraw/zinc/32/28/35/1052322835.db2.gz SWFGOMPRSSOXRC-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1Cl ZINC000235505999 1052414029 /nfs/dbraw/zinc/41/40/29/1052414029.db2.gz SBRDCBQFBBKLDE-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM CC(C)CC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001222223602 1052464224 /nfs/dbraw/zinc/46/42/24/1052464224.db2.gz IEDZRESXEFJHBZ-OAHLLOKOSA-N -1 3 322.424 4.032 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(CCC(F)(F)F)no1 ZINC000316990493 1052475287 /nfs/dbraw/zinc/47/52/87/1052475287.db2.gz LXDGBMABSSQBQB-UHFFFAOYSA-N -1 3 308.259 4.090 20 0 DIADHM Cn1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(-c2ccccc2)n1 ZINC001222555405 1052512176 /nfs/dbraw/zinc/51/21/76/1052512176.db2.gz RTMJHMPSNIBVLC-UHFFFAOYSA-N -1 3 305.406 4.050 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000154235023 1052674535 /nfs/dbraw/zinc/67/45/35/1052674535.db2.gz RYJAREUOWCSCDK-URFUOSOHSA-N -1 3 315.800 4.385 20 0 DIADHM CC(C)[C@@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128173775 1052710727 /nfs/dbraw/zinc/71/07/27/1052710727.db2.gz LYWRBXLFYJEKQL-CQSZACIVSA-N -1 3 301.361 4.300 20 0 DIADHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc([O-])c1F ZINC000128335400 1052718328 /nfs/dbraw/zinc/71/83/28/1052718328.db2.gz KYZPVENZPZFDRU-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCC[C@@H](Oc1ccc2c([O-])coc2c1)c1ccc(OC)cc1 ZINC001225340027 1052776188 /nfs/dbraw/zinc/77/61/88/1052776188.db2.gz AEKRMQYXWVUEEN-GOSISDBHSA-N -1 3 312.365 4.191 20 0 DIADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1cccc(C(F)(F)F)c1 ZINC001225340722 1052776427 /nfs/dbraw/zinc/77/64/27/1052776427.db2.gz RONLEJCPECBDPN-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1ccc(C(F)(F)F)cc1 ZINC001225343124 1052777484 /nfs/dbraw/zinc/77/74/84/1052777484.db2.gz PUXRMXADURRDBW-SNVBAGLBSA-N -1 3 322.282 4.421 20 0 DIADHM CCCCCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129414316 1052788511 /nfs/dbraw/zinc/78/85/11/1052788511.db2.gz DZPOFTJJDXGRPX-UHFFFAOYSA-N -1 3 317.360 4.353 20 0 DIADHM O=c1cc(Nc2ccnc(Cl)c2Cl)[n-]n1-c1ccccc1 ZINC001212234740 1052813267 /nfs/dbraw/zinc/81/32/67/1052813267.db2.gz SGUGFIXQCKVMMQ-UHFFFAOYSA-N -1 3 321.167 4.023 20 0 DIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1cc(F)ccc1F ZINC000918940013 1052843226 /nfs/dbraw/zinc/84/32/26/1052843226.db2.gz VATNUKWTGWNZDD-MRVPVSSYSA-N -1 3 307.321 4.426 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2Cc3cccc4cccc2c34)c1 ZINC001225999553 1052858380 /nfs/dbraw/zinc/85/83/80/1052858380.db2.gz XRTZKKBGKQMXCW-SFHVURJKSA-N -1 3 304.345 4.424 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(F)c3)n[n-]2)o1 ZINC000919328610 1052863598 /nfs/dbraw/zinc/86/35/98/1052863598.db2.gz QKOFLSFTDBVBIZ-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cccc(F)c3)[n-]n2)o1 ZINC000919328610 1052863604 /nfs/dbraw/zinc/86/36/04/1052863604.db2.gz QKOFLSFTDBVBIZ-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC001226071518 1052866104 /nfs/dbraw/zinc/86/61/04/1052866104.db2.gz RIENGYZUPQVGIA-ZETCQYMHSA-N -1 3 317.147 4.077 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001226118056 1052869554 /nfs/dbraw/zinc/86/95/54/1052869554.db2.gz ZYQBIGSISDUOSA-INIZCTEOSA-N -1 3 320.417 4.472 20 0 DIADHM C[C@@H](CCc1ccccc1)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120920 1052870592 /nfs/dbraw/zinc/87/05/92/1052870592.db2.gz 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ZINC001226536381 1052909166 /nfs/dbraw/zinc/90/91/66/1052909166.db2.gz WTQDLIBATANCEO-HXUWFJFHSA-N -1 3 322.360 4.337 20 0 DIADHM Cc1ccc2c(c1)[C@H](Oc1cc3c(C)cc(=O)oc3cc1[O-])CC2 ZINC001226536375 1052909368 /nfs/dbraw/zinc/90/93/68/1052909368.db2.gz WSOHCRIBKJHHOE-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM C[C@@H]1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(C)(C)C1 ZINC001226596479 1052913910 /nfs/dbraw/zinc/91/39/10/1052913910.db2.gz KMLFNLBJLVETQC-YPMHNXCESA-N -1 3 302.370 4.092 20 0 DIADHM C[C@H]1C[C@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(C)(C)C1 ZINC001226596476 1052914032 /nfs/dbraw/zinc/91/40/32/1052914032.db2.gz KMLFNLBJLVETQC-AAEUAGOBSA-N -1 3 302.370 4.092 20 0 DIADHM CCC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226600245 1052914877 /nfs/dbraw/zinc/91/48/77/1052914877.db2.gz VRISRKASZLFFHU-INIZCTEOSA-N -1 3 310.349 4.419 20 0 DIADHM CCC[C@H]1CCCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598653 1052915083 /nfs/dbraw/zinc/91/50/83/1052915083.db2.gz FSZDFXRPHUZQFW-WFASDCNBSA-N -1 3 302.370 4.236 20 0 DIADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1c(Cl)ccc(F)c1Cl ZINC001226937100 1052946205 /nfs/dbraw/zinc/94/62/05/1052946205.db2.gz NJXFQSGLXVZMIR-ZCFIWIBFSA-N -1 3 319.188 4.351 20 0 DIADHM C[C@H](Oc1ccnc(=S)[n-]1)c1c(Cl)ccc(F)c1Cl ZINC001226937099 1052946381 /nfs/dbraw/zinc/94/63/81/1052946381.db2.gz NJXFQSGLXVZMIR-LURJTMIESA-N -1 3 319.188 4.351 20 0 DIADHM O=c1cc(O[C@@H](/C=C/c2ccccc2)c2ccccc2)nc[n-]1 ZINC001226944437 1052946821 /nfs/dbraw/zinc/94/68/21/1052946821.db2.gz GFLMGYMPMXUUQP-FLVLSHQESA-N -1 3 304.349 4.016 20 0 DIADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1c(Cl)cccc1Cl ZINC001226941120 1052946966 /nfs/dbraw/zinc/94/69/66/1052946966.db2.gz YTHZXOWUWVVKDZ-SSDOTTSWSA-N -1 3 301.198 4.212 20 0 DIADHM O=C(OCc1csc2ccccc12)c1cc(-c2ccco2)[n-]n1 ZINC000920823758 1052950460 /nfs/dbraw/zinc/95/04/60/1052950460.db2.gz QSHDUTUSGYENCR-UHFFFAOYSA-N -1 3 324.361 4.241 20 0 DIADHM O=C(OCc1csc2ccccc12)c1cc(-c2ccco2)n[n-]1 ZINC000920823758 1052950463 /nfs/dbraw/zinc/95/04/63/1052950463.db2.gz 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1053048528 /nfs/dbraw/zinc/04/85/28/1053048528.db2.gz WEXLHNWUXRNRBV-CQSZACIVSA-N -1 3 318.319 4.190 20 0 DIADHM C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])c1ccco1 ZINC001228156128 1053048573 /nfs/dbraw/zinc/04/85/73/1053048573.db2.gz YEQUDHZWPXIMEI-CYBMUJFWSA-N -1 3 308.333 4.356 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1scnc1C1CC1 ZINC000617275110 1053118964 /nfs/dbraw/zinc/11/89/64/1053118964.db2.gz ULBMWVLXASTNJI-UHFFFAOYSA-N -1 3 308.403 4.134 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC(c3ccco3)CC2)c([O-])c1 ZINC000617383740 1053131938 /nfs/dbraw/zinc/13/19/38/1053131938.db2.gz NYVBISCURGGGOU-UHFFFAOYSA-N -1 3 313.397 4.128 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nc(-c3ccc4ccccc4n3)no2)c1 ZINC000323586328 1053145052 /nfs/dbraw/zinc/14/50/52/1053145052.db2.gz NJTHQFBFMGIWTQ-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1C[C@H](C)C[C@@H](C)C1 ZINC001228623239 1053147951 /nfs/dbraw/zinc/14/79/51/1053147951.db2.gz QEYUHYDILDTWHM-GHMZBOCLSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1ccccc1[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623237 1053148474 /nfs/dbraw/zinc/14/84/74/1053148474.db2.gz QEXAIYOFERSBGW-CYBMUJFWSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1cccc(F)c1 ZINC001228623972 1053149201 /nfs/dbraw/zinc/14/92/01/1053149201.db2.gz VVNJCMNXMSXKEH-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM CCCC[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228696744 1053161212 /nfs/dbraw/zinc/16/12/12/1053161212.db2.gz CIKUNWTWHDFTPA-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1cccc2ccccc21 ZINC001228698385 1053162411 /nfs/dbraw/zinc/16/24/11/1053162411.db2.gz XFFAASPFZIEHLV-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM CCOc1ccc([C@@H](C)Oc2cc3c(cc2[O-])CCC3=O)cc1 ZINC001228853798 1053192218 /nfs/dbraw/zinc/19/22/18/1053192218.db2.gz KYNKTKSESZIFRM-GFCCVEGCSA-N -1 3 312.365 4.060 20 0 DIADHM CC[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(F)c1C ZINC001228853358 1053193180 /nfs/dbraw/zinc/19/31/80/1053193180.db2.gz IAJHBYCJCYZHPV-GOSISDBHSA-N -1 3 314.356 4.499 20 0 DIADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(Cl)c1 ZINC001228854297 1053193972 /nfs/dbraw/zinc/19/39/72/1053193972.db2.gz QSMAQQKRLIWDLM-SNVBAGLBSA-N -1 3 302.757 4.315 20 0 DIADHM CCCCC(=O)[C@@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854286 1053193993 /nfs/dbraw/zinc/19/39/93/1053193993.db2.gz QMNMBVPDMXDIKB-GOSISDBHSA-N -1 3 318.413 4.218 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@H]3CCc4ccc(Cl)cc43)cc21 ZINC001228854214 1053194393 /nfs/dbraw/zinc/19/43/93/1053194393.db2.gz PFJHSEVEIXIALS-KRWDZBQOSA-N -1 3 314.768 4.241 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CC[C@H]4CCCC[C@H]4C3)cc21 ZINC001228854269 1053194832 /nfs/dbraw/zinc/19/48/32/1053194832.db2.gz PXVLFJMXFVJXCG-VNHYZAJKSA-N -1 3 300.398 4.259 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000089395836 1053201468 /nfs/dbraw/zinc/20/14/68/1053201468.db2.gz SKMYEYIPLINQFI-UHFFFAOYSA-N -1 3 314.316 4.197 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCOC(C)(C)C1 ZINC001228957205 1053213127 /nfs/dbraw/zinc/21/31/27/1053213127.db2.gz DHFJIJPHQLDYBL-ZDUSSCGKSA-N -1 3 306.402 4.055 20 0 DIADHM COC1=CC[C@@H](Oc2cc([O-])c(C(C)C)cc2C(C)=O)CC1 ZINC001228959751 1053213351 /nfs/dbraw/zinc/21/33/51/1053213351.db2.gz KOWWXSBBPKRKSD-CQSZACIVSA-N -1 3 304.386 4.180 20 0 DIADHM CCC(CC)[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229100085 1053246690 /nfs/dbraw/zinc/24/66/90/1053246690.db2.gz OXKBEJFERHYPOK-LBPRGKRZSA-N -1 3 317.223 4.454 20 0 DIADHM C[C@@H]1CC(Oc2cc(O)cc([O-])c2Br)C[C@@H](C)C1 ZINC001229098579 1053245862 /nfs/dbraw/zinc/24/58/62/1053245862.db2.gz GDMHSYHLZGZQIJ-IUCAKERBSA-N -1 3 315.207 4.064 20 0 DIADHM CC1(C)CCC[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229096310 1053245881 /nfs/dbraw/zinc/24/58/81/1053245881.db2.gz AXZRVBRQDWNLTK-JTQLQIEISA-N -1 3 315.207 4.208 20 0 DIADHM CC[C@H](C[C@@H](C)CC)Oc1cc(O)cc([O-])c1Br ZINC001229101156 1053247866 /nfs/dbraw/zinc/24/78/66/1053247866.db2.gz ZYOPJAARSTWMNI-GXSJLCMTSA-N -1 3 317.223 4.454 20 0 DIADHM COc1cccc([C@@H](C)Oc2cccc([O-])c2Br)c1 ZINC001229140223 1053256402 /nfs/dbraw/zinc/25/64/02/1053256402.db2.gz YBQWOTHVQANBLS-SNVBAGLBSA-N -1 3 323.186 4.303 20 0 DIADHM O=c1cc(-c2ccccc2)c2cc(OC3CCC3)c([O-])cc2o1 ZINC001229267225 1053287642 /nfs/dbraw/zinc/28/76/42/1053287642.db2.gz GRWQLRZLZSCSRC-UHFFFAOYSA-N -1 3 308.333 4.097 20 0 DIADHM CC(C)(C)O[N-]C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001320337586 1053326914 /nfs/dbraw/zinc/32/69/14/1053326914.db2.gz DXNDOSHJGOHUHB-SFHVURJKSA-N -1 3 311.425 4.249 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(OC[C@@H]3CCC=CO3)c2)cc1 ZINC001229542981 1053349389 /nfs/dbraw/zinc/34/93/89/1053349389.db2.gz SUTKEBICUFWIDT-KRWDZBQOSA-N -1 3 324.376 4.003 20 0 DIADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)c1ccccc1F ZINC001229569663 1053356272 /nfs/dbraw/zinc/35/62/72/1053356272.db2.gz MJBAYUGJPOFUPY-QMMMGPOBSA-N -1 3 306.387 4.259 20 0 DIADHM Cc1noc(C2CC2)c1NC(=O)c1cc2sccc2c([O-])c1 ZINC001321004857 1053380104 /nfs/dbraw/zinc/38/01/04/1053380104.db2.gz 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/nfs/dbraw/zinc/55/54/60/1053555460.db2.gz XMXOZNUBKZWYQC-UHFFFAOYSA-N -1 3 323.392 4.336 20 0 DIADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC001231114918 1053677684 /nfs/dbraw/zinc/67/76/84/1053677684.db2.gz BYJSHIGEHQUFOD-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC001231114918 1053677693 /nfs/dbraw/zinc/67/76/93/1053677693.db2.gz BYJSHIGEHQUFOD-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1ccccc1Oc1ccccc1[O-])c1cncnc1 ZINC001231219904 1053702927 /nfs/dbraw/zinc/70/29/27/1053702927.db2.gz BENVVZFEIUKUAK-ZDUSSCGKSA-N -1 3 308.337 4.115 20 0 DIADHM CC1(C)CCc2ccccc2[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC001436016499 1053753328 /nfs/dbraw/zinc/75/33/28/1053753328.db2.gz KVANYAAIOULCPA-LBPRGKRZSA-N -1 3 317.326 4.107 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231458412 1053756681 /nfs/dbraw/zinc/75/66/81/1053756681.db2.gz WWJIFMMNTCJEEE-GOSISDBHSA-N -1 3 313.372 4.169 20 0 DIADHM CC(C)[C@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccccc1 ZINC001300518690 1053770941 /nfs/dbraw/zinc/77/09/41/1053770941.db2.gz WLVONTUYLQCTFS-KRWDZBQOSA-N -1 3 301.361 4.066 20 0 DIADHM [O-]c1ccc(CN2CCCC(F)(F)CC2)cc1C(F)(F)F ZINC001231521275 1053778669 /nfs/dbraw/zinc/77/86/69/1053778669.db2.gz CIGSXFKPWLZSON-UHFFFAOYSA-N -1 3 309.278 4.032 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1F ZINC001200588483 1053792376 /nfs/dbraw/zinc/79/23/76/1053792376.db2.gz YAWJJCDOVAPYSU-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM [O-]c1cc(CN2CCC3(CC(F)(F)C3)CC2)ccc1Cl ZINC001231731820 1053839957 /nfs/dbraw/zinc/83/99/57/1053839957.db2.gz QRKPVWCUFIYBSR-UHFFFAOYSA-N -1 3 301.764 4.057 20 0 DIADHM COc1cccc([C@@H]2CCCN2Cc2ccc(Cl)c([O-])c2)c1 ZINC001231736274 1053843254 /nfs/dbraw/zinc/84/32/54/1053843254.db2.gz GXZKEQZFEDVAGH-KRWDZBQOSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1cccc2nc([N-][C@H](C[C@H]3CCCO3)C(F)(F)F)oc21 ZINC001327723273 1053874163 /nfs/dbraw/zinc/87/41/63/1053874163.db2.gz ZODUMKGJHWMBIP-ZYHUDNBSSA-N 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ZINC001440834228 1054371972 /nfs/dbraw/zinc/37/19/72/1054371972.db2.gz RRLIKUJOQXOLFV-LJQANCHMSA-N -1 3 311.425 4.390 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001441138984 1054384039 /nfs/dbraw/zinc/38/40/39/1054384039.db2.gz UOMNFYRJWQWIHW-CVEARBPZSA-N -1 3 303.446 4.289 20 0 DIADHM CC1CCC(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001442252218 1054414709 /nfs/dbraw/zinc/41/47/09/1054414709.db2.gz BOENJJAYSIXRMO-UHFFFAOYSA-N -1 3 303.427 4.163 20 0 DIADHM CCc1ccc2nc(-c3ccc(C(C)(F)F)cc3)[n-]c(=O)c2c1 ZINC001343572719 1054448315 /nfs/dbraw/zinc/44/83/15/1054448315.db2.gz PHDBGPMURPGCJG-UHFFFAOYSA-N -1 3 314.335 4.264 20 0 DIADHM Cc1cccc2c1CCN(C(=O)c1cc3sccc3c([O-])c1)C2 ZINC001443640868 1054454026 /nfs/dbraw/zinc/45/40/26/1054454026.db2.gz FHBGOMAEZVFBHT-UHFFFAOYSA-N -1 3 323.417 4.114 20 0 DIADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001443683746 1054455304 /nfs/dbraw/zinc/45/53/04/1054455304.db2.gz AKVZKUVLIYMBKT-BEFAXECRSA-N -1 3 323.436 4.096 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1ncsc1C(C)C ZINC000622905152 1054466637 /nfs/dbraw/zinc/46/66/37/1054466637.db2.gz VGFJGOLGMMMWOF-UHFFFAOYSA-N -1 3 310.419 4.380 20 0 DIADHM Cc1ccc(OC[C@@H](C)Oc2c(Cl)ccc([O-])c2F)cc1 ZINC001234262645 1054477380 /nfs/dbraw/zinc/47/73/80/1054477380.db2.gz BSQXEWDPPKAORM-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM C[C@@H](COc1c(Cl)ccc([O-])c1F)OCc1ccccc1 ZINC001234266128 1054479816 /nfs/dbraw/zinc/47/98/16/1054479816.db2.gz YPGZKMNVZOTVNX-NSHDSACASA-N -1 3 310.752 4.169 20 0 DIADHM C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC001444677471 1054482745 /nfs/dbraw/zinc/48/27/45/1054482745.db2.gz LLRPKDVAJHKGQD-CVEARBPZSA-N -1 3 323.436 4.244 20 0 DIADHM O=C([N-]c1ccc(F)cc1F)c1oc(C2CC2)nc1C(F)F ZINC001345451397 1054494817 /nfs/dbraw/zinc/49/48/17/1054494817.db2.gz JJBFIEWZJQSNRK-UHFFFAOYSA-N -1 3 314.238 4.020 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC(CC(C)C)CC2)c1 ZINC001445441980 1054507839 /nfs/dbraw/zinc/50/78/39/1054507839.db2.gz 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Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC001566015557 1055739940 /nfs/dbraw/zinc/73/99/40/1055739940.db2.gz QXUFJKRZXZZYCB-CYBMUJFWSA-N -1 3 315.413 4.168 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c([O-])c1 ZINC001566018345 1055740484 /nfs/dbraw/zinc/74/04/84/1055740484.db2.gz YPPKIPQPDOTHCE-BBRMVZONSA-N -1 3 313.397 4.161 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c([O-])c1 ZINC001566018347 1055741166 /nfs/dbraw/zinc/74/11/66/1055741166.db2.gz YPPKIPQPDOTHCE-CZUORRHYSA-N -1 3 313.397 4.161 20 0 DIADHM CC(C)C[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001566382340 1055767479 /nfs/dbraw/zinc/76/74/79/1055767479.db2.gz RYZCPTXHVSVVCU-HNNXBMFYSA-N -1 3 303.446 4.414 20 0 DIADHM C[C@@H]1CCc2sc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1 ZINC001596967656 1055768642 /nfs/dbraw/zinc/76/86/42/1055768642.db2.gz OBAFFKRQKIWOSQ-SECBINFHSA-N -1 3 321.829 4.484 20 0 DIADHM CCc1nc2ccccc2c(C(=O)Nc2cccc([O-])c2F)c1C ZINC001566435401 1055773013 /nfs/dbraw/zinc/77/30/13/1055773013.db2.gz GSBRMIYIKJXCJF-UHFFFAOYSA-N -1 3 324.355 4.203 20 0 DIADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC001566773009 1055781187 /nfs/dbraw/zinc/78/11/87/1055781187.db2.gz UICBQLZEMXGIKY-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM CC(C)[C@H]1CCCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC001566936368 1055786889 /nfs/dbraw/zinc/78/68/89/1055786889.db2.gz UJERZZCXPXKXED-QGZVFWFLSA-N -1 3 321.436 4.281 20 0 DIADHM Cc1cccc(C)c1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001597132733 1055792274 /nfs/dbraw/zinc/79/22/74/1055792274.db2.gz QGVQVPZKPYCTEA-UHFFFAOYSA-N -1 3 311.406 4.154 20 0 DIADHM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC001567224078 1055796834 /nfs/dbraw/zinc/79/68/34/1055796834.db2.gz MSIZXVIZCLPHGJ-GOSISDBHSA-N -1 3 309.409 4.493 20 0 DIADHM Cn1ccc2cccc(NC(=O)c3cc4sccc4c([O-])c3)c21 ZINC001567635786 1055810029 /nfs/dbraw/zinc/81/00/29/1055810029.db2.gz YHWZTCSTUUULNO-UHFFFAOYSA-N -1 3 322.389 4.351 20 0 DIADHM CC1(C)CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001567700085 1055814624 /nfs/dbraw/zinc/81/46/24/1055814624.db2.gz FIOYZVPVAZTUAL-LBPRGKRZSA-N -1 3 303.427 4.306 20 0 DIADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001597317584 1055814967 /nfs/dbraw/zinc/81/49/67/1055814967.db2.gz HUPSCLUFGAIFJH-CYBMUJFWSA-N -1 3 309.365 4.246 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)c([O-])c1 ZINC001567721862 1055816635 /nfs/dbraw/zinc/81/66/35/1055816635.db2.gz WNAPQDKPRDIRNG-INIZCTEOSA-N -1 3 323.436 4.331 20 0 DIADHM CC[C@@H](NC(=O)c1c([O-])cccc1O)c1cccc2ccccc21 ZINC001649061584 1055825327 /nfs/dbraw/zinc/82/53/27/1055825327.db2.gz SDVXNZQNOUWBIG-MRXNPFEDSA-N -1 3 321.376 4.132 20 0 DIADHM CC(C)c1ccc2nc(-c3cc(F)c(F)c(F)c3)[n-]c(=O)c2c1 ZINC000060797359 1055849913 /nfs/dbraw/zinc/84/99/13/1055849913.db2.gz AYMXMFPBVZPBCG-UHFFFAOYSA-N -1 3 318.298 4.131 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC001539483623 1055851564 /nfs/dbraw/zinc/85/15/64/1055851564.db2.gz XTSZECIUUIOFRK-NSHDSACASA-N -1 3 319.401 4.086 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 ZINC001539483622 1055852102 /nfs/dbraw/zinc/85/21/02/1055852102.db2.gz XTSZECIUUIOFRK-LLVKDONJSA-N -1 3 319.401 4.086 20 0 DIADHM CCCC[C@@H](C)N(CCCC)C(=O)Cc1ccc([O-])c(F)c1 ZINC001569482619 1055862392 /nfs/dbraw/zinc/86/23/92/1055862392.db2.gz IUIRISYLWPQYRF-CQSZACIVSA-N -1 3 309.425 4.281 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC001569670723 1055868247 /nfs/dbraw/zinc/86/82/47/1055868247.db2.gz WRGQZHMWLVKIDP-LJQANCHMSA-N -1 3 323.436 4.439 20 0 DIADHM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001569655720 1055868293 /nfs/dbraw/zinc/86/82/93/1055868293.db2.gz RJBFLLUHESNQFN-CYBMUJFWSA-N -1 3 313.397 4.439 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1 ZINC001569936449 1055878570 /nfs/dbraw/zinc/87/85/70/1055878570.db2.gz QBRXTNSUJJIGGG-STQMWFEESA-N -1 3 321.486 4.401 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cccc(C3CCC3)c2)c1[O-] ZINC001569928131 1055878868 /nfs/dbraw/zinc/87/88/68/1055878868.db2.gz KRJBJPSTYIBJOX-UHFFFAOYSA-N -1 3 309.365 4.115 20 0 DIADHM CCc1cccc(C(=O)N2CCC(C)(CC(C)C)CC2)c1[O-] ZINC001570040196 1055883430 /nfs/dbraw/zinc/88/34/30/1055883430.db2.gz GOCWVBUDUFBTED-UHFFFAOYSA-N -1 3 303.446 4.243 20 0 DIADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001570158440 1055889319 /nfs/dbraw/zinc/88/93/19/1055889319.db2.gz BGLVZWNSLJQYOR-FPOVZHCZSA-N -1 3 323.436 4.147 20 0 DIADHM CC(C)CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC001597981251 1055904331 /nfs/dbraw/zinc/90/43/31/1055904331.db2.gz BQTATQJBVJTGSB-UHFFFAOYSA-N -1 3 317.816 4.344 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c([O-])c1 ZINC001598316072 1055936347 /nfs/dbraw/zinc/93/63/47/1055936347.db2.gz MSTYDWJYRHTPDZ-IBGZPJMESA-N -1 3 309.409 4.362 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)c([O-])c1 ZINC001598363217 1055941717 /nfs/dbraw/zinc/94/17/17/1055941717.db2.gz OBQQWENHEZJHLY-CQSZACIVSA-N -1 3 323.436 4.495 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c([O-])c1 ZINC000068979823 1056018408 /nfs/dbraw/zinc/01/84/08/1056018408.db2.gz XTTXRMMYHKLFPF-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c([O-])c1 ZINC001540360313 1056020631 /nfs/dbraw/zinc/02/06/31/1056020631.db2.gz MSJZCYDNCNJKJW-UHFFFAOYSA-N -1 3 319.788 4.177 20 0 DIADHM Cc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)c([O-])c1 ZINC001626527801 1056029666 /nfs/dbraw/zinc/02/96/66/1056029666.db2.gz DQKRXQSSUNJSDX-HUUCEWRRSA-N -1 3 303.446 4.283 20 0 DIADHM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1cc(Oc2ccccc2)ccc1[O-] ZINC001606729951 1056037760 /nfs/dbraw/zinc/03/77/60/1056037760.db2.gz KICLDFHNMSMJQO-MZMPZRCHSA-N -1 3 323.392 4.103 20 0 DIADHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000007057651 1056062815 /nfs/dbraw/zinc/06/28/15/1056062815.db2.gz MJUBEYCZEOELFY-ZDUSSCGKSA-N -1 3 319.426 4.010 20 0 DIADHM CC[C@@H](C)c1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC001611005526 1056092481 /nfs/dbraw/zinc/09/24/81/1056092481.db2.gz RAJZTNFEQPVBMF-LLVKDONJSA-N -1 3 324.384 4.139 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC001542281919 1056114367 /nfs/dbraw/zinc/11/43/67/1056114367.db2.gz FJPIXEGEFSFGRD-LJQANCHMSA-N -1 3 317.388 4.271 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001542504698 1056128475 /nfs/dbraw/zinc/12/84/75/1056128475.db2.gz HEPSSRBDRQGNCE-KBMXLJTQSA-N -1 3 303.446 4.139 20 0 DIADHM Cc1cccc(-c2cccc(C(=O)Nc3ncccc3[O-])c2)c1 ZINC001611473381 1056165694 /nfs/dbraw/zinc/16/56/94/1056165694.db2.gz PLKLPYCCJXARIR-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1cc(C(=O)Nc2ncccc2[O-])sc1-c1ccccc1 ZINC001611474053 1056166583 /nfs/dbraw/zinc/16/65/83/1056166583.db2.gz WQWFDCNFYSGCCQ-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccccc1[O-] ZINC001543174277 1056183506 /nfs/dbraw/zinc/18/35/06/1056183506.db2.gz PZYPWFFZCXCPCI-KRWDZBQOSA-N -1 3 315.800 4.317 20 0 DIADHM Cc1ccc2c(c1)CN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001583897626 1056199585 /nfs/dbraw/zinc/19/95/85/1056199585.db2.gz UERCTMBRSVSMHB-UHFFFAOYSA-N -1 3 323.417 4.114 20 0 DIADHM CCCCOc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001543476410 1056232730 /nfs/dbraw/zinc/23/27/30/1056232730.db2.gz OGTZNWUZCHZLII-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc([O-])c2ccccc2c1 ZINC001543530793 1056245441 /nfs/dbraw/zinc/24/54/41/1056245441.db2.gz GLLBGZWWZYYESF-GRDNDAEWSA-N -1 3 309.409 4.244 20 0 DIADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001584119010 1056267074 /nfs/dbraw/zinc/26/70/74/1056267074.db2.gz CHONMPCKNKTPJY-NWDGAFQWSA-N -1 3 303.427 4.163 20 0 DIADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001544057219 1056352624 /nfs/dbraw/zinc/35/26/24/1056352624.db2.gz KBIHBOORNXDQNK-DGCLKSJQSA-N -1 3 303.427 4.306 20 0 DIADHM O=c1cc(CS[C@H]2CCCc3ccccc32)nc(C2CC2)[n-]1 ZINC001613498253 1056383927 /nfs/dbraw/zinc/38/39/27/1056383927.db2.gz NRUROMQWXGZRCR-INIZCTEOSA-N -1 3 312.438 4.370 20 0 DIADHM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[O-] ZINC001544566764 1056458749 /nfs/dbraw/zinc/45/87/49/1056458749.db2.gz PDFGIQIOENYVIJ-GOSISDBHSA-N -1 3 313.372 4.193 20 0 DIADHM Cc1nc(NC(=O)c2cc(C)ccc2[O-])sc1-c1ccccc1 ZINC001544595853 1056463366 /nfs/dbraw/zinc/46/33/66/1056463366.db2.gz BTMUWNXHMAUISQ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCCOc1cc(C)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001544716211 1056486637 /nfs/dbraw/zinc/48/66/37/1056486637.db2.gz XDFIAFOTFSUWKX-UHFFFAOYSA-N -1 3 313.397 4.359 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c([O-])c1 ZINC001626223065 1056565313 /nfs/dbraw/zinc/56/53/13/1056565313.db2.gz LXUOMYKZSXSORN-RBUKOAKNSA-N -1 3 317.388 4.140 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC12CCC2 ZINC000355520236 1056629363 /nfs/dbraw/zinc/62/93/63/1056629363.db2.gz WUAYDOCUXRHLTN-CQSZACIVSA-N -1 3 309.409 4.198 20 0 DIADHM CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000008570317 1056635724 /nfs/dbraw/zinc/63/57/24/1056635724.db2.gz PDYFOVZRVLSOJP-UHFFFAOYSA-N -1 3 305.761 4.085 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2csc(-c3ccccc3)n2)on1 ZINC000672334921 1056642403 /nfs/dbraw/zinc/64/24/03/1056642403.db2.gz HCFIHYBHRDDSGT-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(-c3ccc([O-])c(F)c3)nc2)cc1 ZINC001240783061 1056696084 /nfs/dbraw/zinc/69/60/84/1056696084.db2.gz OJXOYKDUMTYBHX-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2ccc([O-])c(F)c2)c1 ZINC001240787437 1056697059 /nfs/dbraw/zinc/69/70/59/1056697059.db2.gz DORUFEILQIIVPN-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM CCOC(=O)CCCc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786874 1056697183 /nfs/dbraw/zinc/69/71/83/1056697183.db2.gz ZKMKPKUPCHGGMO-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM COC(=O)c1cc2cccc(-c3ccc([O-])c(F)c3)c2s1 ZINC001240785522 1056697274 /nfs/dbraw/zinc/69/72/74/1056697274.db2.gz CQPROFZKVSXBDD-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(C(F)(F)F)c1 ZINC001240785928 1056697552 /nfs/dbraw/zinc/69/75/52/1056697552.db2.gz VBIUMGFREDXSGT-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1ccc(-c2nc(N3CCCC3)cc3ccccc32)cc1F ZINC001240783497 1056697766 /nfs/dbraw/zinc/69/77/66/1056697766.db2.gz VCNOXGYFKOMTTA-UHFFFAOYSA-N -1 3 308.356 4.347 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240786548 1056698263 /nfs/dbraw/zinc/69/82/63/1056698263.db2.gz MMAUIHJNEYAGPU-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM [O-]c1ccc(-c2ccc(OCc3cccc(F)c3)nc2)cc1F ZINC001240789771 1056700250 /nfs/dbraw/zinc/70/02/50/1056700250.db2.gz DFFNBKHBWXBBPF-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1ccc(-c2ccc(OCc3ccccc3F)nc2)cc1F ZINC001240790034 1056701927 /nfs/dbraw/zinc/70/19/27/1056701927.db2.gz HIJICELCUIHJRL-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2sc3c(c2C)CCCC3)c1 ZINC001586416223 1056730956 /nfs/dbraw/zinc/73/09/56/1056730956.db2.gz KOIYVUIAZXPBPB-UHFFFAOYSA-N 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INFWNLREKBEVRN-UHFFFAOYSA-N -1 3 319.408 4.239 20 0 DIADHM [O-]c1ccccc1-c1nnc(-c2ccco2)cc1C(F)(F)F ZINC001241007819 1056813418 /nfs/dbraw/zinc/81/34/18/1056813418.db2.gz ABCBLYHGJYNSFV-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2N(C)C(C)C)c1 ZINC001617380726 1056823161 /nfs/dbraw/zinc/82/31/61/1056823161.db2.gz JMZBEUMTEHZFBJ-UHFFFAOYSA-N -1 3 312.413 4.052 20 0 DIADHM Cc1ccc(-c2nc(C(F)(F)F)nc3c(F)cccc32)c([O-])c1 ZINC001241028082 1056828308 /nfs/dbraw/zinc/82/83/08/1056828308.db2.gz ITNZORILMLEYJQ-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1ccc(-c2ncnc3sc4c(c32)CC[C@H](C)C4)c([O-])c1 ZINC001241030735 1056831060 /nfs/dbraw/zinc/83/10/60/1056831060.db2.gz QEBVMHOQPCFBFF-NSHDSACASA-N -1 3 310.422 4.497 20 0 DIADHM Cc1ccc(-c2ncnc3oc(-c4ccccc4C)nc32)c([O-])c1 ZINC001241036128 1056834076 /nfs/dbraw/zinc/83/40/76/1056834076.db2.gz OTRZSJVTCMMWAW-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(-c2ncccc2OCc2ccc(F)cc2)c([O-])c1 ZINC001241036147 1056834130 /nfs/dbraw/zinc/83/41/30/1056834130.db2.gz PIJYBUYPCRVMIN-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM Cc1ccc(-c2nc3c(ncnc3-c3ccc(C)cc3[O-])o2)cc1 ZINC001241036335 1056834869 /nfs/dbraw/zinc/83/48/69/1056834869.db2.gz UNPLZHNLINTMTF-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(-c2ncnc3c(-c4ccccc4)nsc32)c([O-])c1 ZINC001241036332 1056835089 /nfs/dbraw/zinc/83/50/89/1056835089.db2.gz UHJVMGWICRCYRK-UHFFFAOYSA-N -1 3 319.389 4.434 20 0 DIADHM Nc1ccccc1N(c1cc(F)cc(F)c1[O-])C1CCCC1 ZINC001212492524 1056840001 /nfs/dbraw/zinc/84/00/01/1056840001.db2.gz ACBQKLJQRMFUFQ-UHFFFAOYSA-N -1 3 304.340 4.333 20 0 DIADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001617786856 1056883269 /nfs/dbraw/zinc/88/32/69/1056883269.db2.gz UHWSKFBIEIYKSS-MRXNPFEDSA-N -1 3 311.425 4.444 20 0 DIADHM Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC001241097539 1056890514 /nfs/dbraw/zinc/89/05/14/1056890514.db2.gz VCXSNBFPCFMSQZ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC001241097539 1056890520 /nfs/dbraw/zinc/89/05/20/1056890520.db2.gz VCXSNBFPCFMSQZ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(C2CC2)cc1 ZINC000682522832 1056901893 /nfs/dbraw/zinc/90/18/93/1056901893.db2.gz OVBPEHCMLXFENX-UHFFFAOYSA-N -1 3 313.372 4.370 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC001618176625 1056928719 /nfs/dbraw/zinc/92/87/19/1056928719.db2.gz SRZLLKWYCOAKGM-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001241187125 1056950846 /nfs/dbraw/zinc/95/08/46/1056950846.db2.gz MNPSWUPZYXGYLI-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1F ZINC001241187594 1056951243 /nfs/dbraw/zinc/95/12/43/1056951243.db2.gz RNPKIGMIAVGTHS-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM Fc1cc(-c2ccccc2-c2nnn[n-]2)ccc1-c1ccccc1 ZINC001241236609 1056973400 /nfs/dbraw/zinc/97/34/00/1056973400.db2.gz 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/nfs/dbraw/zinc/98/54/08/1056985408.db2.gz IXGNZYXMSMUIAE-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(N3CCCC3)cc3ccccc32)c1 ZINC001241261449 1056985504 /nfs/dbraw/zinc/98/55/04/1056985504.db2.gz OMYGUOKELWLJBC-UHFFFAOYSA-N -1 3 308.356 4.347 20 0 DIADHM COC(=O)c1cc(C(F)(F)F)ccc1-c1cc([O-])cc(F)c1 ZINC001241276688 1056992814 /nfs/dbraw/zinc/99/28/14/1056992814.db2.gz BDNCSDBISNCSJK-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1cc(C(=O)OC(C)(C)C)ccc1-c1cc([O-])cc(F)c1 ZINC001241280523 1056994484 /nfs/dbraw/zinc/99/44/84/1056994484.db2.gz PAIYJEAIUWXBDS-UHFFFAOYSA-N -1 3 318.344 4.162 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc3nnc(-c4cccc(F)c4)n3c2)c1 ZINC001241280887 1056994934 /nfs/dbraw/zinc/99/49/34/1056994934.db2.gz XKAPOMZQQDTVRB-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM O=C1Cc2ccc(-c3cc([O-])cc(F)c3)cc2N1c1ccccc1 ZINC001241283705 1056995326 /nfs/dbraw/zinc/99/53/26/1056995326.db2.gz YKWZYWQQCHECJM-UHFFFAOYSA-N -1 3 319.335 4.419 20 0 DIADHM CCOC(=O)c1cc2cc(-c3c(F)ccc([O-])c3F)ccc2o1 ZINC001241292307 1057000133 /nfs/dbraw/zinc/00/01/33/1057000133.db2.gz ALSQGSKWWCHOPS-UHFFFAOYSA-N -1 3 318.275 4.260 20 0 DIADHM [O-]c1ccc(F)c(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1F ZINC001241292884 1057000431 /nfs/dbraw/zinc/00/04/31/1057000431.db2.gz LOHBZHMJLFTKSG-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CCOC(OCC)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293251 1057001163 /nfs/dbraw/zinc/00/11/63/1057001163.db2.gz FGBHFIVIFSNHIR-UHFFFAOYSA-N -1 3 308.324 4.409 20 0 DIADHM CC(C)C1=NCCc2ccc(-c3c(F)ccc([O-])c3F)cc21 ZINC001241294501 1057001296 /nfs/dbraw/zinc/00/12/96/1057001296.db2.gz ZLPSGIISTRCJFE-UHFFFAOYSA-N -1 3 301.336 4.339 20 0 DIADHM S=C1Cc2ccc(C3=CCN(c4ccccc4)CC3)cc2[N-]1 ZINC001241359694 1057026040 /nfs/dbraw/zinc/02/60/40/1057026040.db2.gz AFEJCKWUOJPRGG-UHFFFAOYSA-N -1 3 306.434 4.276 20 0 DIADHM c1ccc2c(c1)[nH]c1cccc(-c3ccc(-c4nnn[n-]4)cc3)c12 ZINC001241445493 1057050051 /nfs/dbraw/zinc/05/00/51/1057050051.db2.gz PNIXGSUYGAWIDE-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1cccc(-c3ccc(-c4nn[n-]n4)cc3)c12 ZINC001241445493 1057050053 /nfs/dbraw/zinc/05/00/53/1057050053.db2.gz PNIXGSUYGAWIDE-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM CCCOc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001241589418 1057101250 /nfs/dbraw/zinc/10/12/50/1057101250.db2.gz YKIIIKRSVZGNJM-UHFFFAOYSA-N -1 3 314.332 4.240 20 0 DIADHM Cc1nc(NC(=O)c2cccc(C)c2[O-])sc1-c1ccccc1 ZINC001626096077 1057185567 /nfs/dbraw/zinc/18/55/67/1057185567.db2.gz OXJLTGBEOKRXFP-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242129164 1057272035 /nfs/dbraw/zinc/27/20/35/1057272035.db2.gz ARLDIWUNWRYDFS-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001242129164 1057272041 /nfs/dbraw/zinc/27/20/41/1057272041.db2.gz ARLDIWUNWRYDFS-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001242129503 1057272994 /nfs/dbraw/zinc/27/29/94/1057272994.db2.gz FCEFLPOVBCERCR-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001242129503 1057272999 /nfs/dbraw/zinc/27/29/99/1057272999.db2.gz FCEFLPOVBCERCR-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM O=c1ccc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc2o1 ZINC001242157880 1057283063 /nfs/dbraw/zinc/28/30/63/1057283063.db2.gz NXSKYPBXARCVMO-UHFFFAOYSA-N -1 3 306.239 4.184 20 0 DIADHM O=c1ccc2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c2o1 ZINC001242157634 1057283813 /nfs/dbraw/zinc/28/38/13/1057283813.db2.gz KLJNWHXNYULWAS-UHFFFAOYSA-N -1 3 306.239 4.184 20 0 DIADHM [O-]c1ccc(-c2cccc(-c3ncc[nH]3)c2)cc1C(F)(F)F ZINC001242161755 1057284213 /nfs/dbraw/zinc/28/42/13/1057284213.db2.gz BQDYGUOPLFJMIL-UHFFFAOYSA-N -1 3 304.271 4.468 20 0 DIADHM Cc1nc(-c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2)no1 ZINC001242158395 1057284661 /nfs/dbraw/zinc/28/46/61/1057284661.db2.gz WFZQNRMCCPLZIP-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CC1(C)C(=O)Nc2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc21 ZINC001242168540 1057285367 /nfs/dbraw/zinc/28/53/67/1057285367.db2.gz PPFOAWSJVXJQAP-UHFFFAOYSA-N -1 3 321.298 4.308 20 0 DIADHM COC(=O)CCc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242166119 1057285388 /nfs/dbraw/zinc/28/53/88/1057285388.db2.gz OAAFZHAHRAKYTG-UHFFFAOYSA-N -1 3 324.298 4.184 20 0 DIADHM COCc1cc(OC)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242168345 1057285824 /nfs/dbraw/zinc/28/58/24/1057285824.db2.gz NJWQGDRVAJGDDE-UHFFFAOYSA-N -1 3 312.287 4.233 20 0 DIADHM COC(=O)c1cc2cccc(-c3ccc(F)cc3[O-])c2s1 ZINC001242218216 1057297049 /nfs/dbraw/zinc/29/70/49/1057297049.db2.gz YAFSPBNLLSWJEC-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc2nnc(-c3ccccc3F)n2c1 ZINC001242219119 1057297900 /nfs/dbraw/zinc/29/79/00/1057297900.db2.gz KLJMLWRVPPQBJX-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242219100 1057298088 /nfs/dbraw/zinc/29/80/88/1057298088.db2.gz XKBYKCAEYCVSJT-HNNXBMFYSA-N -1 3 302.345 4.255 20 0 DIADHM [O-]c1c(F)cccc1-c1ccnc(OCc2ccc(F)cc2)c1 ZINC001242353269 1057342109 /nfs/dbraw/zinc/34/21/09/1057342109.db2.gz LGHVIMMXMUCZQD-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001242391707 1057358362 /nfs/dbraw/zinc/35/83/62/1057358362.db2.gz DUTXGWAYYBPISG-UHFFFAOYSA-N -1 3 323.392 4.062 20 0 DIADHM c1ccc2c(c1)oc1ccc(-c3ccccc3-c3nnn[n-]3)cc12 ZINC001242640234 1057432917 /nfs/dbraw/zinc/43/29/17/1057432917.db2.gz BGINADXDVITEMX-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM c1ccc2c(c1)oc1ccc(-c3ccccc3-c3nn[n-]n3)cc12 ZINC001242640234 1057432920 /nfs/dbraw/zinc/43/29/20/1057432920.db2.gz BGINADXDVITEMX-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM CSc1ccc([C@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000706238192 1057466970 /nfs/dbraw/zinc/46/69/70/1057466970.db2.gz DZBCWJYQXPZOTN-JTQLQIEISA-N -1 3 307.440 4.019 20 0 DIADHM Cc1oc2ccccc2c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000316772017 1057521230 /nfs/dbraw/zinc/52/12/30/1057521230.db2.gz HYLJTZZSXQOYQD-CQSZACIVSA-N -1 3 315.394 4.108 20 0 DIADHM [O-]c1cc(-c2ncnc3cc(C(F)(F)F)ccc32)ccc1F ZINC001243047900 1057556990 /nfs/dbraw/zinc/55/69/90/1057556990.db2.gz GZFRCLKXIUPILJ-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM Cc1cccc(Sc2cncc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001243049219 1057557624 /nfs/dbraw/zinc/55/76/24/1057557624.db2.gz RRENJPGYRCLXKT-UHFFFAOYSA-N -1 3 312.369 4.448 20 0 DIADHM [O-]c1cc(-c2ccnc(OCc3ccccc3F)c2)ccc1F ZINC001243048339 1057557639 /nfs/dbraw/zinc/55/76/39/1057557639.db2.gz XGECOGGSCJCOQO-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(-c2ccc(OCc3ccccc3F)nc2)ccc1F ZINC001243047375 1057557879 /nfs/dbraw/zinc/55/78/79/1057557879.db2.gz QTSOBZSWCXOUTP-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(F)c([O-])c1 ZINC001243050448 1057558160 /nfs/dbraw/zinc/55/81/60/1057558160.db2.gz XACOQZJEHWHRQS-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2ccc(F)c([O-])c2)cc1)C(C)C ZINC001243050961 1057558182 /nfs/dbraw/zinc/55/81/82/1057558182.db2.gz ISHWKGNMKZDLNO-KRWDZBQOSA-N -1 3 302.345 4.111 20 0 DIADHM COC(=O)c1cc2cc(-c3ccc(F)c([O-])c3)ccc2s1 ZINC001243050234 1057558571 /nfs/dbraw/zinc/55/85/71/1057558571.db2.gz UEIFTTXRRZCBDD-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243051095 1057558774 /nfs/dbraw/zinc/55/87/74/1057558774.db2.gz MVECHNAWOVMFJI-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM [O-]c1cc(-c2cc(SCc3ccccc3)ncn2)ccc1F ZINC001243051743 1057559116 /nfs/dbraw/zinc/55/91/16/1057559116.db2.gz ZBUAKELJKLGDEJ-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM CCOC(=O)c1cc2c(ccc(-c3ccc(F)c([O-])c3)c2C)o1 ZINC001243061128 1057561302 /nfs/dbraw/zinc/56/13/02/1057561302.db2.gz DWRWIOYLTKLKIY-UHFFFAOYSA-N -1 3 314.312 4.430 20 0 DIADHM O=C(NCc1ccccc1)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243063723 1057562480 /nfs/dbraw/zinc/56/24/80/1057562480.db2.gz VJEMNYRIKLNUJS-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc([O-])c2ccccc2c1 ZINC000525914663 1057656286 /nfs/dbraw/zinc/65/62/86/1057656286.db2.gz YJABHNAVJFNOSF-FQEVSTJZSA-N -1 3 317.388 4.427 20 0 DIADHM CC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000525923787 1057657369 /nfs/dbraw/zinc/65/73/69/1057657369.db2.gz CXBOIMZDUCTYMU-UHFFFAOYSA-N -1 3 305.333 4.000 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2ccc(Cl)cc21 ZINC000525925171 1057657586 /nfs/dbraw/zinc/65/75/86/1057657586.db2.gz SVCBNROPQPJLIX-UHFFFAOYSA-N -1 3 323.779 4.402 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000527454072 1057663758 /nfs/dbraw/zinc/66/37/58/1057663758.db2.gz LALMPMCAAXIAKD-FLOBVVSRSA-N -1 3 321.420 4.196 20 0 DIADHM CN(C)c1ccc(-c2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001243504743 1057697628 /nfs/dbraw/zinc/69/76/28/1057697628.db2.gz PICMSVOSPVSOKK-UHFFFAOYSA-N -1 3 317.257 4.422 20 0 DIADHM CCOc1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)cc1F ZINC001243532066 1057705345 /nfs/dbraw/zinc/70/53/45/1057705345.db2.gz PNDHHTBCLLMILB-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM COc1c(F)cc(-c2cccc([O-])c2F)cc1C(F)(F)F ZINC001243545992 1057709352 /nfs/dbraw/zinc/70/93/52/1057709352.db2.gz JWVZKJPFDQQKDM-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1cccc(-c2ccc(-c3c[nH]c4ccccc43)nn2)c1F ZINC001243543924 1057709381 /nfs/dbraw/zinc/70/93/81/1057709381.db2.gz RPSIEGCWPKRHMA-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM COc1cc(C(=O)OC(C)(C)C)ccc1-c1cccc([O-])c1F ZINC001243545959 1057709767 /nfs/dbraw/zinc/70/97/67/1057709767.db2.gz JJBZEUKXOSNHIR-UHFFFAOYSA-N -1 3 318.344 4.162 20 0 DIADHM Cc1cc(OCc2ccccc2)ncc1-c1cccc([O-])c1F ZINC001243546588 1057709853 /nfs/dbraw/zinc/70/98/53/1057709853.db2.gz QGDHHHMUKADTOD-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM [O-]c1cccc(-c2nc(-c3cccnc3)nc3sccc32)c1F ZINC001243546961 1057710220 /nfs/dbraw/zinc/71/02/20/1057710220.db2.gz SFQRPXUIPJTEET-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM [O-]c1cccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F ZINC001243547117 1057710232 /nfs/dbraw/zinc/71/02/32/1057710232.db2.gz MIYRIESPTBXCFP-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM COC(=O)c1cc(-c2cccc([O-])c2F)cc(C(F)(F)F)c1 ZINC001243548067 1057710283 /nfs/dbraw/zinc/71/02/83/1057710283.db2.gz YVUPZUHDZDBRHU-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(C)[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccccn1 ZINC000733687845 1057829812 /nfs/dbraw/zinc/82/98/12/1057829812.db2.gz HIYNLACDRXEMLI-CQSZACIVSA-N -1 3 300.383 4.179 20 0 DIADHM O=C(OCc1ccc2ncccc2c1)c1cc(Cl)c(Cl)[n-]1 ZINC000733695034 1057830224 /nfs/dbraw/zinc/83/02/24/1057830224.db2.gz PZPDLKZVVRMXIJ-UHFFFAOYSA-N -1 3 321.163 4.227 20 0 DIADHM CCOC(=O)c1c[nH]c2c1cccc2-c1c([O-])cccc1Cl ZINC001244045017 1057847319 /nfs/dbraw/zinc/84/73/19/1057847319.db2.gz RBMKAQGAIVNXRG-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1-c1ccccc1F ZINC001244047527 1057848779 /nfs/dbraw/zinc/84/87/79/1057848779.db2.gz JMQHGRJCUPCIGX-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM O=c1cc(-c2c([O-])cccc2Cl)ccn1-c1ccc(F)cc1 ZINC001244047839 1057849001 /nfs/dbraw/zinc/84/90/01/1057849001.db2.gz KMUWUOJAYLFVQZ-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM COC(=O)c1cc2cc(-c3c([O-])cccc3Cl)c(F)cc2[nH]1 ZINC001244048915 1057849800 /nfs/dbraw/zinc/84/98/00/1057849800.db2.gz WYBHIFMRGVPYCU-UHFFFAOYSA-N -1 3 319.719 4.120 20 0 DIADHM FC(F)COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001244072825 1057858404 /nfs/dbraw/zinc/85/84/04/1057858404.db2.gz PZDUOENHSAJJNP-UHFFFAOYSA-N -1 3 305.349 4.293 20 0 DIADHM COC(=O)c1cc(Cl)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001244086167 1057863978 /nfs/dbraw/zinc/86/39/78/1057863978.db2.gz LEZWCHZNVRXUDJ-UHFFFAOYSA-N -1 3 317.797 4.089 20 0 DIADHM Cc1ncc(C(F)(F)F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244261863 1057915174 /nfs/dbraw/zinc/91/51/74/1057915174.db2.gz JCIOCWAIANZYKT-UHFFFAOYSA-N -1 3 308.328 4.371 20 0 DIADHM CCOc1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1C ZINC001244443177 1057959565 /nfs/dbraw/zinc/95/95/65/1057959565.db2.gz JEJYLOVDVGUBGW-UHFFFAOYSA-N -1 3 314.332 4.158 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cnc2ccc(F)cc2n1 ZINC001244456941 1057963002 /nfs/dbraw/zinc/96/30/02/1057963002.db2.gz VRFHGIFYHCCTJQ-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM Cc1nc(-c2cc(OC(F)(F)F)ccc2[O-])cc(C(C)C)n1 ZINC001244456379 1057963280 /nfs/dbraw/zinc/96/32/80/1057963280.db2.gz PSVQGHXDIOENBT-UHFFFAOYSA-N -1 3 312.291 4.180 20 0 DIADHM Cc1cc2ccncc2nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244458443 1057963877 /nfs/dbraw/zinc/96/38/77/1057963877.db2.gz MOFSKXHZXVMION-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM COc1c(F)ccc(F)c1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244467272 1057967570 /nfs/dbraw/zinc/96/75/70/1057967570.db2.gz BCKTWEHCAHHGFE-UHFFFAOYSA-N -1 3 320.213 4.245 20 0 DIADHM CC(=O)Oc1c[nH]c2ccc(-c3ccc(Cl)cc3[O-])cc12 ZINC001244469610 1057968413 /nfs/dbraw/zinc/96/84/13/1057968413.db2.gz MBBYGORKAATGNB-UHFFFAOYSA-N -1 3 301.729 4.119 20 0 DIADHM COCCCOc1cc(-c2ccc(Cl)cc2[O-])ccc1OC ZINC001244470244 1057968811 /nfs/dbraw/zinc/96/88/11/1057968811.db2.gz XFATWYQILZRYJL-UHFFFAOYSA-N -1 3 322.788 4.137 20 0 DIADHM CCOC(=O)c1c[nH]c2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244472514 1057969284 /nfs/dbraw/zinc/96/92/84/1057969284.db2.gz OXPBFMVUVCSUBK-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)nc(-c2ccsc2)n1 ZINC001244509066 1057980839 /nfs/dbraw/zinc/98/08/39/1057980839.db2.gz ZLHKEURGGKHTGI-UHFFFAOYSA-N -1 3 300.358 4.334 20 0 DIADHM Cc1cc(-c2ncccc2OCc2ccccc2)cc([O-])c1F ZINC001244508652 1057980959 /nfs/dbraw/zinc/98/09/59/1057980959.db2.gz UQAIYTCNYWILRU-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM Cc1cc(-c2cncc(OC3CCCCC3)n2)cc([O-])c1F ZINC001244508187 1057981243 /nfs/dbraw/zinc/98/12/43/1057981243.db2.gz PVKOLUMWSAUIEW-UHFFFAOYSA-N -1 3 302.349 4.008 20 0 DIADHM Cc1cc(-c2cncc(OCc3ccccc3)c2)cc([O-])c1F ZINC001244516334 1057983396 /nfs/dbraw/zinc/98/33/96/1057983396.db2.gz TVYXMEYMZLOUTO-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM Cc1cc(-c2cccnc2OCc2ccccc2)cc([O-])c1F ZINC001244514740 1057983452 /nfs/dbraw/zinc/98/34/52/1057983452.db2.gz AXOFBRYKTZMTPW-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM COC(=O)c1ccc(C2CC2)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244524915 1057985587 /nfs/dbraw/zinc/98/55/87/1057985587.db2.gz IVJDBIHHERDYJH-UHFFFAOYSA-N -1 3 300.329 4.171 20 0 DIADHM CCOC(=O)c1c[nH]c2cc(-c3cc(C)c(F)c([O-])c3)ccc21 ZINC001244524918 1057985709 /nfs/dbraw/zinc/98/57/09/1057985709.db2.gz IRQUFOQANGATTK-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM CCOC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244538686 1057989794 /nfs/dbraw/zinc/98/97/94/1057989794.db2.gz WABYZFCZVHELFF-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM Cc1nnc(-c2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2)o1 ZINC001244546662 1057992806 /nfs/dbraw/zinc/99/28/06/1057992806.db2.gz GJYSLKQQCDNECA-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1cc(-c2cccc(S(=O)(=O)C(C)C)c2)cc(Cl)c1[O-] ZINC001244545983 1057992925 /nfs/dbraw/zinc/99/29/25/1057992925.db2.gz CNQHRKAYCGZFDE-UHFFFAOYSA-N -1 3 324.829 4.203 20 0 DIADHM Cc1cc(-c2ccc3c(c2)CC(C)(C)NC3=O)cc(Cl)c1[O-] ZINC001244556927 1057995011 /nfs/dbraw/zinc/99/50/11/1057995011.db2.gz ZOIJODDGNYYZFO-UHFFFAOYSA-N -1 3 315.800 4.086 20 0 DIADHM CSc1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cc1Cl ZINC001244738886 1058038344 /nfs/dbraw/zinc/03/83/44/1058038344.db2.gz PRAGRXDFWIUSFZ-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cc1Cl ZINC001244738886 1058038347 /nfs/dbraw/zinc/03/83/47/1058038347.db2.gz PRAGRXDFWIUSFZ-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM FC(F)(F)c1cc(Cl)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001244773342 1058045427 /nfs/dbraw/zinc/04/54/27/1058045427.db2.gz LTRCHBRITINNLR-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cc(Cl)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001244773342 1058045430 /nfs/dbraw/zinc/04/54/30/1058045430.db2.gz LTRCHBRITINNLR-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM COc1ncc(C(F)(F)F)cc1-c1cc(Cl)ccc1[O-] ZINC001245052893 1058103150 /nfs/dbraw/zinc/10/31/50/1058103150.db2.gz VWGSOTKDFZQFKM-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1cnc(OCc2ccccc2)nc1 ZINC001245055589 1058103702 /nfs/dbraw/zinc/10/37/02/1058103702.db2.gz SFQVXXCQQIQOGX-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1ccc(-c2nccc(Oc3cccc(F)c3)n2)c(Cl)c1 ZINC001245078909 1058107604 /nfs/dbraw/zinc/10/76/04/1058107604.db2.gz MWLFDTHZHUBQFW-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM CC(C)(C)c1nc2[nH]ccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245077691 1058107672 /nfs/dbraw/zinc/10/76/72/1058107672.db2.gz AUFXTCQBTCVMAL-UHFFFAOYSA-N -1 3 301.777 4.233 20 0 DIADHM CC(C)(C)c1nc(-c2ccc([O-])cc2Cl)nc(C(C)(C)C)n1 ZINC001245077627 1058107990 /nfs/dbraw/zinc/10/79/90/1058107990.db2.gz FQFZONMNMWKSTB-UHFFFAOYSA-N -1 3 319.836 4.493 20 0 DIADHM CSc1nc2ccnc(-c3ccc([O-])cc3Cl)c2s1 ZINC001245081193 1058108311 /nfs/dbraw/zinc/10/83/11/1058108311.db2.gz BVTQMUPQTFPOJK-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM Cc1c(NC(=O)C(C)(C)C)ccnc1-c1ccc([O-])cc1Cl ZINC001245080041 1058108371 /nfs/dbraw/zinc/10/83/71/1058108371.db2.gz WSNMHTRTPFUYAB-UHFFFAOYSA-N -1 3 318.804 4.401 20 0 DIADHM CCN(CC)Cc1cccc(-c2cccc(C(=O)[O-])c2C)c1F ZINC001245303081 1058143217 /nfs/dbraw/zinc/14/32/17/1058143217.db2.gz HUKRBQZNRHZIIM-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM CC(=O)OCc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1C ZINC001245381703 1058157525 /nfs/dbraw/zinc/15/75/25/1058157525.db2.gz JJIWVWROJQSNIF-UHFFFAOYSA-N -1 3 311.406 4.021 20 0 DIADHM CCC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001545165803 1058185946 /nfs/dbraw/zinc/18/59/46/1058185946.db2.gz BZVTYGKAEQQGTI-UHFFFAOYSA-N -1 3 311.381 4.105 20 0 DIADHM C[C@@H](NC(=S)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001245518001 1058195899 /nfs/dbraw/zinc/19/58/99/1058195899.db2.gz GYZMHSZMTQAIRH-SNVBAGLBSA-N -1 3 306.818 4.093 20 0 DIADHM Cc1ccc2[nH]c(-c3cc(C(F)(F)F)[n-]c(=S)n3)cc2c1 ZINC001245569785 1058235711 /nfs/dbraw/zinc/23/57/11/1058235711.db2.gz WGXGMOZQMFKLCP-UHFFFAOYSA-N -1 3 309.316 4.241 20 0 DIADHM Fc1ccc2[nH]c(-c3cc(C(F)(F)F)[n-]c(=S)n3)cc2c1 ZINC001245573483 1058240385 /nfs/dbraw/zinc/24/03/85/1058240385.db2.gz HYXVXOBQJICOLN-UHFFFAOYSA-N -1 3 313.279 4.072 20 0 DIADHM COC(=O)c1ccc(-c2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC001245652495 1058309813 /nfs/dbraw/zinc/30/98/13/1058309813.db2.gz DHCGCNKJCFRTOS-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2c([O-])cccc2F)c1 ZINC001245657156 1058313681 /nfs/dbraw/zinc/31/36/81/1058313681.db2.gz UWOMZCSUCDKAIM-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COC(=O)c1cc(-c2c([O-])cccc2F)cc(C(F)(F)F)c1 ZINC001245656432 1058314218 /nfs/dbraw/zinc/31/42/18/1058314218.db2.gz QSKTVWVVXRRQMQ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1cc(C(F)(F)F)ccc1-c1c([O-])cccc1F ZINC001245657099 1058314551 /nfs/dbraw/zinc/31/45/51/1058314551.db2.gz RARGOPVVJLQJEZ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1cc(OC)c(-c2ccc3c(c2)[N-]C(=S)C3)cc1Cl ZINC001245726942 1058402444 /nfs/dbraw/zinc/40/24/44/1058402444.db2.gz 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/nfs/dbraw/zinc/54/11/77/1058541177.db2.gz VDYBXKTZWZEPSV-CYBMUJFWSA-N -1 3 311.381 4.103 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1nc2ccccc2cc1C1CC1 ZINC001556082270 1058541802 /nfs/dbraw/zinc/54/18/02/1058541802.db2.gz HUHPEFWILINYLX-UHFFFAOYSA-N -1 3 322.339 4.209 20 0 DIADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556110849 1058543728 /nfs/dbraw/zinc/54/37/28/1058543728.db2.gz GFSXRSFWSUPQBL-SFHVURJKSA-N -1 3 323.436 4.493 20 0 DIADHM O=C(Nc1ncccc1[O-])c1csc(C2CCCCC2)c1 ZINC001556164993 1058553688 /nfs/dbraw/zinc/55/36/88/1058553688.db2.gz WQFOZDYMESIWJV-UHFFFAOYSA-N -1 3 302.399 4.149 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc3oc(C)c(C)c3c2)c1 ZINC001556265099 1058568046 /nfs/dbraw/zinc/56/80/46/1058568046.db2.gz NGERHEPEMPXRTH-UHFFFAOYSA-N -1 3 311.337 4.016 20 0 DIADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)[C@@H]1C ZINC001556418302 1058592720 /nfs/dbraw/zinc/59/27/20/1058592720.db2.gz RXPFFIYBVSAEAF-UPJWGTAASA-N -1 3 317.454 4.409 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001556804085 1058644672 /nfs/dbraw/zinc/64/46/72/1058644672.db2.gz UBEBMKPPNWZQQB-HUUCEWRRSA-N -1 3 307.434 4.063 20 0 DIADHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556847908 1058655110 /nfs/dbraw/zinc/65/51/10/1058655110.db2.gz QYFAETPFKBRTOO-HUUCEWRRSA-N -1 3 319.445 4.346 20 0 DIADHM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556847906 1058656632 /nfs/dbraw/zinc/65/66/32/1058656632.db2.gz QYFAETPFKBRTOO-CABCVRRESA-N -1 3 319.445 4.346 20 0 DIADHM CCc1cccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC001556878367 1058664425 /nfs/dbraw/zinc/66/44/25/1058664425.db2.gz DTQCELAPXNKWKU-CLCXKQKWSA-N -1 3 323.436 4.361 20 0 DIADHM CCN(Cc1occc1C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001557056758 1058692233 /nfs/dbraw/zinc/69/22/33/1058692233.db2.gz CZFZWDFZZKGDEV-UHFFFAOYSA-N -1 3 301.386 4.079 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001557347539 1058736638 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CC(C)c1oncc1[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC001558341090 1058860678 /nfs/dbraw/zinc/86/06/78/1058860678.db2.gz HOFWPZBVZSIAQS-UHFFFAOYSA-N -1 3 314.316 4.449 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)c([O-])c1 ZINC001558901015 1058922847 /nfs/dbraw/zinc/92/28/47/1058922847.db2.gz SNVVTYWNCCABJU-AWEZNQCLSA-N -1 3 313.397 4.062 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CCC)C2)c([O-])c1 ZINC001558949967 1058928089 /nfs/dbraw/zinc/92/80/89/1058928089.db2.gz WDVFNWKDQNGMLJ-OAHLLOKOSA-N -1 3 319.445 4.223 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@H](CCC)C2)c([O-])c1 ZINC001558949966 1058928682 /nfs/dbraw/zinc/92/86/82/1058928682.db2.gz WDVFNWKDQNGMLJ-HNNXBMFYSA-N -1 3 319.445 4.223 20 0 DIADHM CC1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CCCCC1 ZINC001558976879 1058933064 /nfs/dbraw/zinc/93/30/64/1058933064.db2.gz VMYVRZHHJWHIDU-UHFFFAOYSA-N -1 3 324.384 4.127 20 0 DIADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)cn1 ZINC001522477323 1059103246 /nfs/dbraw/zinc/10/32/46/1059103246.db2.gz 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MRTAPHSOOCFSOI-NSHDSACASA-N -1 3 323.911 4.286 20 0 DIADHM CCCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001463634314 1061507029 /nfs/dbraw/zinc/50/70/29/1061507029.db2.gz OZPUJOHGEFZBHJ-UHFFFAOYSA-N -1 3 311.425 4.097 20 0 DIADHM Cc1cc(-c2nc3c(cccc3F)[nH]2)c([O-])cc1Br ZINC001251859601 1061511134 /nfs/dbraw/zinc/51/11/34/1061511134.db2.gz FALSBPGMFXIRMV-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM COc1ccc(-c2nnc(-c3c([O-])ccc4ccccc43)o2)cc1 ZINC001251964424 1061542856 /nfs/dbraw/zinc/54/28/56/1061542856.db2.gz BZFLMWMNXYGKCW-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCN(Cc1cccc(Cl)c1)C(=O)c1cc([O-])ccc1Cl ZINC001464064425 1061551775 /nfs/dbraw/zinc/55/17/75/1061551775.db2.gz HOYMTVNNZBVLGM-UHFFFAOYSA-N -1 3 324.207 4.361 20 0 DIADHM CC(C)(C)C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001464182961 1061561924 /nfs/dbraw/zinc/56/19/24/1061561924.db2.gz YITNFZKHHPPPGX-INIZCTEOSA-N -1 3 313.397 4.005 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3cc(OC)ccc3[O-])ccc21 ZINC001464570952 1061609120 /nfs/dbraw/zinc/60/91/20/1061609120.db2.gz UJGORPPSHRGJIH-UHFFFAOYSA-N -1 3 324.380 4.018 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)ccc2OC(C)C)c1 ZINC001464758502 1061629087 /nfs/dbraw/zinc/62/90/87/1061629087.db2.gz YWMJCILCWGOQGQ-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001464987713 1061659173 /nfs/dbraw/zinc/65/91/73/1061659173.db2.gz BCCVWYJSALSYAB-GOSISDBHSA-N -1 3 309.409 4.241 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1 ZINC001465033113 1061668330 /nfs/dbraw/zinc/66/83/30/1061668330.db2.gz PRVJISNVZXCRMY-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM CCc1cccc(C(=O)N2CCc3ccccc3[C@H]2CC)c1[O-] ZINC001465175213 1061696330 /nfs/dbraw/zinc/69/63/30/1061696330.db2.gz LGLRCQHFVSWASU-GOSISDBHSA-N -1 3 309.409 4.104 20 0 DIADHM [O-]c1cnc2ccccc2c1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252721966 1061700916 /nfs/dbraw/zinc/70/09/16/1061700916.db2.gz JTEYLXQKERJIME-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c([O-])c1 ZINC001465323356 1061733623 /nfs/dbraw/zinc/73/36/23/1061733623.db2.gz SVODPBVUSQZPTB-MJGOQNOKSA-N -1 3 323.436 4.096 20 0 DIADHM C[C@@](O)(CNc1cc(Cl)c([O-])cc1Cl)c1ccccc1 ZINC001253111095 1061810079 /nfs/dbraw/zinc/81/00/79/1061810079.db2.gz ZUJWGPLAWINRHP-OAHLLOKOSA-N -1 3 312.196 4.019 20 0 DIADHM CCc1cccc(C(=O)N2CCc3ccccc3[C@H]2C(C)C)c1[O-] ZINC001465789502 1061810221 /nfs/dbraw/zinc/81/02/21/1061810221.db2.gz SUWCIIOQYSZEQH-LJQANCHMSA-N -1 3 323.436 4.350 20 0 DIADHM O=C(/C=C\Sc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001466257295 1061906022 /nfs/dbraw/zinc/90/60/22/1061906022.db2.gz AFIAKOMHAFFTIY-HJWRWDBZSA-N -1 3 305.786 4.290 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSc2ccc(Cl)cc2)o1 ZINC001458817806 1061912445 /nfs/dbraw/zinc/91/24/45/1061912445.db2.gz MVSRKDJGUWJJSJ-UHFFFAOYSA-N -1 3 318.785 4.388 20 0 DIADHM CCOC(=O)c1ccc(NC(=O)CCCCC(C)(C)C)c([O-])c1 ZINC001466542362 1061958739 /nfs/dbraw/zinc/95/87/39/1061958739.db2.gz RKFMEDWNLZRANG-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM CCCCC[C@H](C)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466542627 1061959321 /nfs/dbraw/zinc/95/93/21/1061959321.db2.gz ZIAJKPJOOSCESJ-ZDUSSCGKSA-N -1 3 321.417 4.114 20 0 DIADHM COc1cccc2c(C(=O)Nc3ccc(Cl)cc3[O-])coc21 ZINC001466631065 1061975707 /nfs/dbraw/zinc/97/57/07/1061975707.db2.gz GECCJSLYWDDFQB-UHFFFAOYSA-N -1 3 317.728 4.053 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cscc1C(F)(F)F ZINC001466631662 1061975996 /nfs/dbraw/zinc/97/59/96/1061975996.db2.gz SVWBFOWOYFRBLD-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM COc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)c([O-])c1 ZINC001466902818 1062021308 /nfs/dbraw/zinc/02/13/08/1062021308.db2.gz JNVRKDDTDXMDKG-UHFFFAOYSA-N -1 3 317.429 4.024 20 0 DIADHM CCc1cc2c(CSCC3CCCC3)cc(=O)oc2cc1[O-] ZINC001459291000 1062069637 /nfs/dbraw/zinc/06/96/37/1062069637.db2.gz QPVZZIAPZGKNFO-UHFFFAOYSA-N -1 3 318.438 4.484 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c1 ZINC001467620118 1062159785 /nfs/dbraw/zinc/15/97/85/1062159785.db2.gz ZLHUEIISQDKEMU-YJBOKZPZSA-N -1 3 323.436 4.281 20 0 DIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)C)c(C)c1 ZINC001254592308 1062195610 /nfs/dbraw/zinc/19/56/10/1062195610.db2.gz HBELWKIXXGWEFT-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC001467757166 1062201156 /nfs/dbraw/zinc/20/11/56/1062201156.db2.gz IDYPLJUFSZRNSX-SNVBAGLBSA-N -1 3 321.829 4.259 20 0 DIADHM CC(C)c1ccc(-c2nnc(-c3cnc(C(F)(F)F)[n-]3)o2)cc1 ZINC001254878197 1062272389 /nfs/dbraw/zinc/27/23/89/1062272389.db2.gz FPDQBRUMHMPDLG-UHFFFAOYSA-N -1 3 322.290 4.269 20 0 DIADHM CC(C)c1ccc(-c2nnc(-c3c[n-]c(C(F)(F)F)n3)o2)cc1 ZINC001254878197 1062272398 /nfs/dbraw/zinc/27/23/98/1062272398.db2.gz FPDQBRUMHMPDLG-UHFFFAOYSA-N -1 3 322.290 4.269 20 0 DIADHM CCC[C@H](CC)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001468428775 1062318732 /nfs/dbraw/zinc/31/87/32/1062318732.db2.gz YLDUXXWKFWUWII-JTQLQIEISA-N -1 3 314.223 4.228 20 0 DIADHM CCC[C@@H](CC)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001468428776 1062320166 /nfs/dbraw/zinc/32/01/66/1062320166.db2.gz YLDUXXWKFWUWII-SNVBAGLBSA-N -1 3 314.223 4.228 20 0 DIADHM CCOc1cccc(CCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC001468455685 1062327406 /nfs/dbraw/zinc/32/74/06/1062327406.db2.gz QQBJDVZNSBLXQZ-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM Cc1ccnc2ccc(C(=O)Nc3c([O-])cccc3Cl)cc12 ZINC001468455111 1062328336 /nfs/dbraw/zinc/32/83/36/1062328336.db2.gz JXHFSRSUKLVTAV-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)c1ccc(C(=O)NC(C)(C)c2ccccc2F)c([O-])c1 ZINC001468484951 1062330966 /nfs/dbraw/zinc/33/09/66/1062330966.db2.gz FLNWWGCFOQOPME-UHFFFAOYSA-N -1 3 315.388 4.320 20 0 DIADHM C=Cc1ccc([N-]S(=O)(=O)c2ccc(CCC)cc2)cc1 ZINC001255210811 1062355238 /nfs/dbraw/zinc/35/52/38/1062355238.db2.gz DVRATJSNUXJXKA-UHFFFAOYSA-N -1 3 301.411 4.083 20 0 DIADHM Cc1cc(Cl)ccc1-c1nnc(-c2c(C)cc(O)cc2[O-])o1 ZINC001255356343 1062415339 /nfs/dbraw/zinc/41/53/39/1062415339.db2.gz UMNLTZSAQHCISH-UHFFFAOYSA-N -1 3 316.744 4.085 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c1[O-] ZINC001468874413 1062423589 /nfs/dbraw/zinc/42/35/89/1062423589.db2.gz YPTPIWLXOIDMGM-HKUYNNGSSA-N -1 3 323.436 4.363 20 0 DIADHM [O-]c1cccc(CN2CCO[C@@H](c3ccccc3)CC2)c1Cl ZINC001474751996 1062462503 /nfs/dbraw/zinc/46/25/03/1062462503.db2.gz HYYLFOSCKLBEHV-QGZVFWFLSA-N -1 3 317.816 4.009 20 0 DIADHM COc1ccc([O-])c(-c2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC001255982857 1062677249 /nfs/dbraw/zinc/67/72/49/1062677249.db2.gz JQWSRIKKMAEWRO-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2NC(C)C)c([O-])c1 ZINC001470023954 1062686177 /nfs/dbraw/zinc/68/61/77/1062686177.db2.gz ASCAPQCGEODILW-UHFFFAOYSA-N -1 3 318.804 4.427 20 0 DIADHM Cc1cc([O-])c(-c2nnc(-c3ccc4ccccc4c3)o2)c(O)c1 ZINC001256052827 1062688250 /nfs/dbraw/zinc/68/82/50/1062688250.db2.gz JVZJCGISLLKNHV-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM COc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC001470124964 1062707868 /nfs/dbraw/zinc/70/78/68/1062707868.db2.gz YGPKFENDHOXYJG-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM CCCCCCc1nnc(-c2cc(O)c3ccccc3c2[O-])o1 ZINC001256323054 1062777433 /nfs/dbraw/zinc/77/74/33/1062777433.db2.gz GLPLSMSXLORJKG-UHFFFAOYSA-N -1 3 312.369 4.424 20 0 DIADHM CCCCCCc1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001256324296 1062778225 /nfs/dbraw/zinc/77/82/25/1062778225.db2.gz VPPDKZBXHSEQBD-UHFFFAOYSA-N -1 3 304.781 4.389 20 0 DIADHM CSCCc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC001470970766 1062900183 /nfs/dbraw/zinc/90/01/83/1062900183.db2.gz YIRGVVHUIGLCGA-UHFFFAOYSA-N -1 3 321.829 4.203 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C2CCCCC2)c1 ZINC001471012956 1062909531 /nfs/dbraw/zinc/90/95/31/1062909531.db2.gz KBZRMKWUXHPKJS-CYBMUJFWSA-N -1 3 321.486 4.403 20 0 DIADHM CCc1cccc(F)c1COC(=O)c1cccc(Cl)c1[O-] ZINC001460760098 1063044900 /nfs/dbraw/zinc/04/49/00/1063044900.db2.gz ORBMWEZVSTYEDL-UHFFFAOYSA-N -1 3 308.736 4.104 20 0 DIADHM O=C(Nc1c[nH]c2ccccc12)c1cc2c(cc1[O-])CCCC2 ZINC001472087017 1063047841 /nfs/dbraw/zinc/04/78/41/1063047841.db2.gz HZNLFQPJRCYWEH-UHFFFAOYSA-N -1 3 306.365 4.005 20 0 DIADHM CCCCOc1ccc(C(=O)NC2CCC(C)(C)CC2)c([O-])c1 ZINC001472518391 1063093104 /nfs/dbraw/zinc/09/31/04/1063093104.db2.gz MHKPFMPCKHKKAA-UHFFFAOYSA-N -1 3 319.445 4.270 20 0 DIADHM Cc1cc2occ(CC(=O)[N-]OCC(C)C)c2cc1C(C)C ZINC001472534845 1063098904 /nfs/dbraw/zinc/09/89/04/1063098904.db2.gz ISNYPJLCMBYKJW-UHFFFAOYSA-N -1 3 303.402 4.111 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001257209515 1063139566 /nfs/dbraw/zinc/13/95/66/1063139566.db2.gz LIGZVYOWTRNXFX-HOTGVXAUSA-N -1 3 306.365 4.330 20 0 DIADHM [O-]c1ccccc1-c1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)o1 ZINC001257612168 1063350058 /nfs/dbraw/zinc/35/00/58/1063350058.db2.gz VPFWHESCRVYMRO-UONOGXRCSA-N -1 3 312.756 4.367 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(F)cc2OC(C)C)c([O-])c1 ZINC001546253932 1063454967 /nfs/dbraw/zinc/45/49/67/1063454967.db2.gz CDHHJYWPOAKOMI-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM CCc1ccc(C(=O)NCCCCCc2ccccc2)c([O-])c1 ZINC001546332253 1063549413 /nfs/dbraw/zinc/54/94/13/1063549413.db2.gz JKBUEQKTRJOGGU-UHFFFAOYSA-N -1 3 311.425 4.097 20 0 DIADHM [O-]c1cc2c(O)cccc2cc1-c1nnc(CC2CCCC2)o1 ZINC001258611334 1063711667 /nfs/dbraw/zinc/71/16/67/1063711667.db2.gz DXRLANQOXZLOIO-UHFFFAOYSA-N -1 3 310.353 4.034 20 0 DIADHM CC[C@@H](C)S(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001260741078 1063904123 /nfs/dbraw/zinc/90/41/23/1063904123.db2.gz XMBCMPSEFJAOLK-CQSZACIVSA-N -1 3 319.426 4.328 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001261199027 1063911037 /nfs/dbraw/zinc/91/10/37/1063911037.db2.gz ADMVVOPJFLHHBC-HOCLYGCPSA-N -1 3 309.409 4.198 20 0 DIADHM COc1ccccc1C1(NCc2cccc([O-])c2Cl)CCC1 ZINC001261237815 1063914362 /nfs/dbraw/zinc/91/43/62/1063914362.db2.gz GLHWZMWPESJBSZ-UHFFFAOYSA-N -1 3 317.816 4.223 20 0 DIADHM Cc1cc(C)cc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000700785449 1064226848 /nfs/dbraw/zinc/22/68/48/1064226848.db2.gz FXCHIZCYWCXSNB-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM C[C@@H]1CCCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001290034897 1064676406 /nfs/dbraw/zinc/67/64/06/1064676406.db2.gz QCGRONXXOAFNNL-MRXNPFEDSA-N -1 3 323.436 4.192 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccccc2Cl)c([O-])c1 ZINC001290107789 1064682249 /nfs/dbraw/zinc/68/22/49/1064682249.db2.gz TZQNZWQMYRNSAZ-UHFFFAOYSA-N -1 3 303.789 4.099 20 0 DIADHM CC(C)(C)c1ccc(CCC(=O)[N-]OCc2ccccc2)cc1 ZINC001290554939 1064699671 /nfs/dbraw/zinc/69/96/71/1064699671.db2.gz PHKPUSXLPKVBEE-UHFFFAOYSA-N -1 3 311.425 4.165 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC001291693862 1064741107 /nfs/dbraw/zinc/74/11/07/1064741107.db2.gz YGYSRISVVVXEPU-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c([O-])c1 ZINC001292098131 1064760879 /nfs/dbraw/zinc/76/08/79/1064760879.db2.gz YUURRRWXNPKDMM-UHFFFAOYSA-N -1 3 317.388 4.459 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)c([O-])c1 ZINC001292766424 1064786143 /nfs/dbraw/zinc/78/61/43/1064786143.db2.gz LWMHYZGZPJZGKQ-DOTOQJQBSA-N -1 3 303.446 4.289 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c([O-])c1 ZINC001292766428 1064786391 /nfs/dbraw/zinc/78/63/91/1064786391.db2.gz LWMHYZGZPJZGKQ-WBVHZDCISA-N -1 3 303.446 4.289 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC001293116409 1064799688 /nfs/dbraw/zinc/79/96/88/1064799688.db2.gz VPQKFHOXKMTWII-ZDUSSCGKSA-N -1 3 315.438 4.222 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c(C)cccc2[O-])C1 ZINC001293841870 1064834798 /nfs/dbraw/zinc/83/47/98/1064834798.db2.gz ZXLMBJFCDKZWAH-JKSUJKDBSA-N -1 3 309.409 4.027 20 0 DIADHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc2sccc2c([O-])c1 ZINC001294139393 1064848644 /nfs/dbraw/zinc/84/86/44/1064848644.db2.gz NQJXXGYSZWGMBY-GJZGRUSLSA-N -1 3 315.438 4.306 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC001294204927 1064854953 /nfs/dbraw/zinc/85/49/53/1064854953.db2.gz OUNBJSVJNNTFPF-UHFFFAOYSA-N -1 3 320.392 4.372 20 0 DIADHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ncccc1[O-] ZINC001296271812 1064940694 /nfs/dbraw/zinc/94/06/94/1064940694.db2.gz SKFLTRUBMJMMCM-CMDGGOBGSA-N -1 3 323.179 4.136 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001296516399 1064950715 /nfs/dbraw/zinc/95/07/15/1064950715.db2.gz XXWHYZMNBSGHLM-KBPBESRZSA-N -1 3 319.445 4.126 20 0 DIADHM CSc1ccc(CCCC(=O)[N-]OC2CCCCC2)cc1 ZINC001296791986 1064961290 /nfs/dbraw/zinc/96/12/90/1064961290.db2.gz XMFHTQHEWABEMS-UHFFFAOYSA-N -1 3 307.459 4.112 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C)C2)c1 ZINC001296974589 1064964650 /nfs/dbraw/zinc/96/46/50/1064964650.db2.gz QAQSZYMAXXCNCZ-LBPRGKRZSA-N -1 3 307.459 4.012 20 0 DIADHM COc1cccc(C)c1NC(=O)c1cc2sccc2c([O-])c1 ZINC001297151791 1064970822 /nfs/dbraw/zinc/97/08/22/1064970822.db2.gz VPPWAQJYOPZIHW-UHFFFAOYSA-N -1 3 313.378 4.176 20 0 DIADHM O=C(Nc1nccc2ccccc21)c1cc([O-])c2ccccc2c1 ZINC001297844488 1064990764 /nfs/dbraw/zinc/99/07/64/1064990764.db2.gz FJQDDXILUWSNLH-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM CCSCc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC001298039866 1064994780 /nfs/dbraw/zinc/99/47/80/1064994780.db2.gz IIRMSKKVWNPRAP-UHFFFAOYSA-N -1 3 315.438 4.460 20 0 DIADHM C[C@H]1C[C@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(C)(C)C1 ZINC001298307225 1065001626 /nfs/dbraw/zinc/00/16/26/1065001626.db2.gz YOTTZXMPQRPUEZ-NWDGAFQWSA-N -1 3 315.417 4.060 20 0 DIADHM CCCCCC[C@@H](CC)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306222 1065001928 /nfs/dbraw/zinc/00/19/28/1065001928.db2.gz BPQZIDSVNFRYJJ-GFCCVEGCSA-N -1 3 303.406 4.204 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)C1=CC[C@H](C)CC1 ZINC001298514507 1065007803 /nfs/dbraw/zinc/00/78/03/1065007803.db2.gz UUYCUGBAKMRAJC-VIFPVBQESA-N -1 3 324.218 4.148 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)c([O-])c1 ZINC001298710877 1065016128 /nfs/dbraw/zinc/01/61/28/1065016128.db2.gz CUPFTRPGCGYYOG-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM O=C([N-]OCC1CCC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001301103472 1065051681 /nfs/dbraw/zinc/05/16/81/1065051681.db2.gz YJKZFESICJYMSM-UHFFFAOYSA-N -1 3 321.848 4.291 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cn2)c1[O-] ZINC001301141087 1065054224 /nfs/dbraw/zinc/05/42/24/1065054224.db2.gz SFMOGCXTLPTOPS-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM Cc1ccc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])n2)cc1 ZINC001303972719 1065126995 /nfs/dbraw/zinc/12/69/95/1065126995.db2.gz JTYLISFLBWEUOR-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1ccc(C(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)c([O-])c1 ZINC001304184844 1065130816 /nfs/dbraw/zinc/13/08/16/1065130816.db2.gz LTDMRDJKDDPCPO-SFHVURJKSA-N -1 3 323.436 4.357 20 0 DIADHM O=C([N-]c1cc(-c2ccccc2)on1)c1ccc(C(F)F)o1 ZINC001306599545 1065185295 /nfs/dbraw/zinc/18/52/95/1065185295.db2.gz YAUCLYVGCWCORH-UHFFFAOYSA-N -1 3 304.252 4.125 20 0 DIADHM Cc1cccc2nc(NCCc3c(F)cc([O-])cc3F)sc21 ZINC001307215554 1065305041 /nfs/dbraw/zinc/30/50/41/1065305041.db2.gz ITPNUAVQHBJSQO-UHFFFAOYSA-N -1 3 320.364 4.243 20 0 DIADHM [O-]c1cccc(CN(CCc2cccc(F)c2)C2CC2)c1Cl ZINC001308574041 1066088519 /nfs/dbraw/zinc/08/85/19/1066088519.db2.gz LRVGOMNWKMGODK-UHFFFAOYSA-N -1 3 319.807 4.392 20 0 DIADHM Cc1ccc2c(c1)N(Cc1cccc([O-])c1Br)CC2 ZINC001308676995 1066150958 /nfs/dbraw/zinc/15/09/58/1066150958.db2.gz XDHQKIMEBZVXSP-UHFFFAOYSA-N -1 3 318.214 4.026 20 0 DIADHM CCc1ccc([C@H]2CCN(Cc3ccc([O-])c(F)c3F)C2)cc1 ZINC001308789673 1066264881 /nfs/dbraw/zinc/26/48/81/1066264881.db2.gz HDBBCEPVTSFCNF-HNNXBMFYSA-N -1 3 317.379 4.222 20 0 DIADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001309036759 1066439903 /nfs/dbraw/zinc/43/99/03/1066439903.db2.gz GBHOWCCKWBNFMK-LLVKDONJSA-N -1 3 323.911 4.347 20 0 DIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000417541127 334961876 /nfs/dbraw/zinc/96/18/76/334961876.db2.gz XZUCFFSVWRIQJV-CQSZACIVSA-N -1 3 309.818 4.016 20 0 DIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000417560523 334975982 /nfs/dbraw/zinc/97/59/82/334975982.db2.gz KHQVDPSSZMUGSD-IFXJQAMLSA-N -1 3 309.409 4.116 20 0 DIADHM Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000417567034 334990811 /nfs/dbraw/zinc/99/08/11/334990811.db2.gz RZFLQTIZGAFMFL-SUMWQHHRSA-N -1 3 317.816 4.200 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C ZINC000006317073 181329067 /nfs/dbraw/zinc/32/90/67/181329067.db2.gz CQCDVJLKOWCQMG-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CSc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417600806 335003149 /nfs/dbraw/zinc/00/31/49/335003149.db2.gz KCWRNLQHFQJNFW-KRWDZBQOSA-N -1 3 315.438 4.104 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000417600078 335005436 /nfs/dbraw/zinc/00/54/36/335005436.db2.gz IVVUISXQRFCKIQ-KRWDZBQOSA-N -1 3 317.816 4.344 20 0 DIADHM CC(C)c1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417617462 335009636 /nfs/dbraw/zinc/00/96/36/335009636.db2.gz IIHYJTLPLKASPK-OALUTQOASA-N -1 3 309.409 4.213 20 0 DIADHM Cc1cc(Cl)cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417627186 335016614 /nfs/dbraw/zinc/01/66/14/335016614.db2.gz NYCCQBWSLZCXRB-IRXDYDNUSA-N -1 3 315.800 4.051 20 0 DIADHM O=C([O-])[C@@H]1C[C@H](NCc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000417627115 335016418 /nfs/dbraw/zinc/01/64/18/335016418.db2.gz NUIZNFHLMNGHDW-UXHICEINSA-N -1 3 321.420 4.357 20 0 DIADHM C[C@@H](CC(C)(C)NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000417628868 335018397 /nfs/dbraw/zinc/01/83/97/335018397.db2.gz AHYKBOGEQYWIAZ-QMMMGPOBSA-N -1 3 322.207 4.112 20 0 DIADHM O=C([O-])C[C@@H]1CCCC[C@@H]1NCc1csc(Cl)c1Cl ZINC000417669782 335035832 /nfs/dbraw/zinc/03/58/32/335035832.db2.gz NDDXRELLGHEYFA-WPRPVWTQSA-N -1 3 322.257 4.178 20 0 DIADHM Cc1ccc(-c2nc(-c3cnc4ccccc4c3)no2)c([O-])c1C ZINC000563847669 335049808 /nfs/dbraw/zinc/04/98/08/335049808.db2.gz QRCPGVYJFHPAKZ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc([O-])c(OC)c1 ZINC000442940853 338439878 /nfs/dbraw/zinc/43/98/78/338439878.db2.gz DAYYAZKKMYVJCU-INIZCTEOSA-N -1 3 313.397 4.014 20 0 DIADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1c(C)cccc1[O-] ZINC000272561007 130042441 /nfs/dbraw/zinc/04/24/41/130042441.db2.gz UIJPJEMSVLJJIK-UHFFFAOYSA-N -1 3 304.415 4.015 20 0 DIADHM CC(C)c1ccc(-c2nc(CCC(F)(F)F)no2)c([O-])c1 ZINC000273914400 130185343 /nfs/dbraw/zinc/18/53/43/130185343.db2.gz YBOYYYLHTHARNE-UHFFFAOYSA-N -1 3 300.280 4.061 20 0 DIADHM CCOc1cc(-c2noc([C@@H]3CCCC(F)(F)C3)n2)ccc1[O-] ZINC000289173302 131363124 /nfs/dbraw/zinc/36/31/24/131363124.db2.gz PCNCJYGKXRMETO-LLVKDONJSA-N -1 3 324.327 4.134 20 0 DIADHM Cc1oc(C(C)C)nc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000289306472 131372765 /nfs/dbraw/zinc/37/27/65/131372765.db2.gz SROOPKKDIGMODL-UHFFFAOYSA-N -1 3 314.719 4.290 20 0 DIADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1ccsc1 ZINC000340311413 131377937 /nfs/dbraw/zinc/37/79/37/131377937.db2.gz BGQXETBODPGYJZ-QMMMGPOBSA-N -1 3 315.316 4.215 20 0 DIADHM C[C@H]1CC[C@@H](CCc2nc(-c3ccc([O-])c4ccccc34)no2)O1 ZINC000293502205 131741158 /nfs/dbraw/zinc/74/11/58/131741158.db2.gz WFGOQCUSZXSWQD-STQMWFEESA-N -1 3 324.380 4.096 20 0 DIADHM CCOc1cc(CN[C@@H]2CCCc3occc32)cc(Cl)c1[O-] ZINC000298381072 132059409 /nfs/dbraw/zinc/05/94/09/132059409.db2.gz CLWICIMNEBVTIG-CQSZACIVSA-N -1 3 321.804 4.205 20 0 DIADHM Cc1cc([N-]c2nnc(C(C)C)o2)cnc1N1CCCC[C@@H]1C ZINC000520505696 435749108 /nfs/dbraw/zinc/74/91/08/435749108.db2.gz GWTNACOHZCMOMU-ZDUSSCGKSA-N -1 3 315.421 4.019 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000108986965 331496092 /nfs/dbraw/zinc/49/60/92/331496092.db2.gz DFYJLEFTEVBRCS-UHFFFAOYSA-N -1 3 306.456 4.415 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(COc2ccccc2)no1 ZINC000109037573 331504486 /nfs/dbraw/zinc/50/44/86/331504486.db2.gz AWSOQBZIHJKWHT-UHFFFAOYSA-N -1 3 318.332 4.174 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c([O-])c1 ZINC000063240275 331504902 /nfs/dbraw/zinc/50/49/02/331504902.db2.gz AQMGNAUUELUOHB-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C)c1 ZINC000538008492 331535774 /nfs/dbraw/zinc/53/57/74/331535774.db2.gz QJTUSAHGHPQVBA-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM Cc1ccccc1SCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533618480 331608084 /nfs/dbraw/zinc/60/80/84/331608084.db2.gz NGFFOVYTRKLGPU-UHFFFAOYSA-N -1 3 307.802 4.085 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc3[nH]ccc32)c2c([O-])cccc21 ZINC000186280150 332920591 /nfs/dbraw/zinc/92/05/91/332920591.db2.gz RXUKRJHTFZGSBE-GFCCVEGCSA-N -1 3 306.365 4.028 20 0 DIADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CC=CCC1 ZINC000530874606 331631822 /nfs/dbraw/zinc/63/18/22/331631822.db2.gz BSTJSRFISZKCEK-QGZVFWFLSA-N -1 3 307.393 4.278 20 0 DIADHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000533783616 331689086 /nfs/dbraw/zinc/68/90/86/331689086.db2.gz WBHUDGVGFZSNPN-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CC(C)(CCNCc1c(Cl)cccc1Cl)CCC(=O)[O-] ZINC000087676912 331764236 /nfs/dbraw/zinc/76/42/36/331764236.db2.gz SQPVEMONOKIVDU-UHFFFAOYSA-N -1 3 318.244 4.364 20 0 DIADHM Cc1cc(C)cc(CCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000557406835 331788514 /nfs/dbraw/zinc/78/85/14/331788514.db2.gz PUESDQVXUPUKNR-UHFFFAOYSA-N -1 3 303.789 4.234 20 0 DIADHM CC(C)(CCNCc1cc(Cl)ccc1Cl)CCC(=O)[O-] ZINC000087761658 331791596 /nfs/dbraw/zinc/79/15/96/331791596.db2.gz WXUROJBMCVDHHX-UHFFFAOYSA-N -1 3 318.244 4.364 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cnc3ccccc3c2)c1[O-] ZINC000557614166 331802742 /nfs/dbraw/zinc/80/27/42/331802742.db2.gz FGYXZVBODZQOOD-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc2snc(C(=O)[N-]c3cc(F)cc(F)c3F)c2c1 ZINC000558233003 331885815 /nfs/dbraw/zinc/88/58/15/331885815.db2.gz XYMWOVILDDOUMH-UHFFFAOYSA-N -1 3 322.311 4.274 20 0 DIADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)s1 ZINC000518387070 332023924 /nfs/dbraw/zinc/02/39/24/332023924.db2.gz WZEJYOCUZDWXRN-CQSZACIVSA-N -1 3 323.845 4.092 20 0 DIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000426808829 332152177 /nfs/dbraw/zinc/15/21/77/332152177.db2.gz OHIYTTWOMSFCCN-QGZVFWFLSA-N -1 3 317.454 4.486 20 0 DIADHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000426788617 332153462 /nfs/dbraw/zinc/15/34/62/332153462.db2.gz OFNXVTVHUPOHHX-INIZCTEOSA-N -1 3 321.779 4.093 20 0 DIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)ccc1F ZINC000426798918 332155103 /nfs/dbraw/zinc/15/51/03/332155103.db2.gz JPXSODKEHGZXQT-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM CCC[C@@H](C)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426814291 332156955 /nfs/dbraw/zinc/15/69/55/332156955.db2.gz DWZIGXKXDFGKJY-QMTHXVAHSA-N -1 3 318.244 4.363 20 0 DIADHM CCC[C@H](C)C[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426817603 332157267 /nfs/dbraw/zinc/15/72/67/332157267.db2.gz CGKYFACDKOKPHL-HZMBPMFUSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000426821326 332157598 /nfs/dbraw/zinc/15/75/98/332157598.db2.gz RTMSGYLUWVXSTG-QGZVFWFLSA-N -1 3 317.816 4.262 20 0 DIADHM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000426819785 332157675 /nfs/dbraw/zinc/15/76/75/332157675.db2.gz WLXYNKLJCKXWDE-INIZCTEOSA-N -1 3 321.779 4.093 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000427036696 332165088 /nfs/dbraw/zinc/16/50/88/332165088.db2.gz CLFRBXNBWAEELG-KGLIPLIRSA-N -1 3 323.726 4.033 20 0 DIADHM [O-]c1ccc(CNCc2ccc(Oc3ccccc3)o2)cc1F ZINC000180966945 332170275 /nfs/dbraw/zinc/17/02/75/332170275.db2.gz YNRZVXZQXASLAX-UHFFFAOYSA-N -1 3 313.328 4.206 20 0 DIADHM Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c([O-])c1 ZINC000215844442 332206328 /nfs/dbraw/zinc/20/63/28/332206328.db2.gz FXRKFKGHRBTFKG-UHFFFAOYSA-N -1 3 318.376 4.379 20 0 DIADHM COc1csc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])c1 ZINC000531089804 332255815 /nfs/dbraw/zinc/25/58/15/332255815.db2.gz FSBQLBKOROXMPE-UHFFFAOYSA-N -1 3 305.399 4.012 20 0 DIADHM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1=O ZINC000560086677 332310087 /nfs/dbraw/zinc/31/00/87/332310087.db2.gz RZOHGCYQZDYOBN-RYUDHWBXSA-N -1 3 322.364 4.068 20 0 DIADHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1ccsc1 ZINC000531113016 332310725 /nfs/dbraw/zinc/31/07/25/332310725.db2.gz YHHCIIJOFWYYJO-UHFFFAOYSA-N -1 3 309.390 4.297 20 0 DIADHM Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000566299118 332321853 /nfs/dbraw/zinc/32/18/53/332321853.db2.gz QPUKLWZGGXRDQM-SUMWQHHRSA-N -1 3 317.816 4.200 20 0 DIADHM [O-]c1ccc(F)c(CNCc2ccc3sccc3c2)c1F ZINC000560533766 332353725 /nfs/dbraw/zinc/35/37/25/332353725.db2.gz UYNDEFVERNMCIE-UHFFFAOYSA-N -1 3 305.349 4.175 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc3ccccc3s2)c1[O-] ZINC000560551137 332358070 /nfs/dbraw/zinc/35/80/70/332358070.db2.gz SEAMPSUDMNTNAZ-UHFFFAOYSA-N -1 3 311.362 4.062 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2C[C@H](c3ccccc3Cl)C2)c1F ZINC000560627966 332371622 /nfs/dbraw/zinc/37/16/22/332371622.db2.gz NWZBBXLPCJNSQB-XYPYZODXSA-N -1 3 323.770 4.360 20 0 DIADHM CC(C)Oc1cccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000261795729 332372447 /nfs/dbraw/zinc/37/24/47/332372447.db2.gz UJEGUBCAXSHUJY-AWEZNQCLSA-N -1 3 313.397 4.023 20 0 DIADHM O=C(CCc1cc2ccccc2o1)Nc1c([O-])cccc1Cl ZINC000560820673 332388641 /nfs/dbraw/zinc/38/86/41/332388641.db2.gz JQHKXKCHUDFSHX-UHFFFAOYSA-N -1 3 315.756 4.363 20 0 DIADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000560822311 332388663 /nfs/dbraw/zinc/38/86/63/332388663.db2.gz JVEHDMXTSSUQIS-VHSXEESVSA-N -1 3 307.802 4.158 20 0 DIADHM O=C(Cc1ccc(F)cc1Cl)Nc1c([O-])cccc1Cl ZINC000560822795 332388877 /nfs/dbraw/zinc/38/88/77/332388877.db2.gz YIEVYYNMYKHCMY-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)cc1 ZINC000318078807 332595693 /nfs/dbraw/zinc/59/56/93/332595693.db2.gz NNEOAWHIRNBEBC-GHMZBOCLSA-N -1 3 312.291 4.278 20 0 DIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2ncoc2C2CC2)c1F ZINC000562694370 332618130 /nfs/dbraw/zinc/61/81/30/332618130.db2.gz SXRSUTNVXGVNNN-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000181477797 333030434 /nfs/dbraw/zinc/03/04/34/333030434.db2.gz RUHYNWDPYMYLFX-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000183017094 333051443 /nfs/dbraw/zinc/05/14/43/333051443.db2.gz SZXRJZQWXWDCHA-UHFFFAOYSA-N -1 3 315.417 4.028 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(Cl)cc1F ZINC000181768287 333079127 /nfs/dbraw/zinc/07/91/27/333079127.db2.gz VMNUWWIWXGBBLP-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCCCN(CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000580319450 333146509 /nfs/dbraw/zinc/14/65/09/333146509.db2.gz LWLRTXSIMCDIBB-CYBMUJFWSA-N -1 3 304.217 4.241 20 0 DIADHM CC(C)Oc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000181989510 333148012 /nfs/dbraw/zinc/14/80/12/333148012.db2.gz FEFGRIGLZHNOPO-UHFFFAOYSA-N -1 3 319.788 4.014 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1nc2ccccc2s1 ZINC000010511701 333175750 /nfs/dbraw/zinc/17/57/50/333175750.db2.gz HMPWSHSPWQQPDI-UHFFFAOYSA-N -1 3 300.408 4.271 20 0 DIADHM COc1cc(Cl)ccc1-c1noc(-c2cc(C)ccc2[O-])n1 ZINC000318963798 333233988 /nfs/dbraw/zinc/23/39/88/333233988.db2.gz FUYWHAWEJGDRQF-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc([O-])ccc1Cl ZINC000497741093 333285396 /nfs/dbraw/zinc/28/53/96/333285396.db2.gz ZCNORWRDDXCWRC-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1[O-] ZINC000531198193 333330444 /nfs/dbraw/zinc/33/04/44/333330444.db2.gz QXWFYJNCVWRRBL-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000531310892 333341795 /nfs/dbraw/zinc/34/17/95/333341795.db2.gz UIDZLIAQCZPBQF-SECBINFHSA-N -1 3 310.180 4.441 20 0 DIADHM CC[C@H](OC1CCCC1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531351594 333345566 /nfs/dbraw/zinc/34/55/66/333345566.db2.gz USNFQEKASXOLNO-AWEZNQCLSA-N -1 3 311.809 4.030 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c(C)o1 ZINC000531351660 333345578 /nfs/dbraw/zinc/34/55/78/333345578.db2.gz JKNFAHLFCCMGRF-UHFFFAOYSA-N -1 3 321.376 4.445 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)cc(Cl)c1 ZINC000531372725 333346957 /nfs/dbraw/zinc/34/69/57/333346957.db2.gz AMZJTXWYMBONRA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/44/70/37/338447037.db2.gz CEEUHCBOHAQYMJ-AWEZNQCLSA-N -1 3 323.436 4.268 20 0 DIADHM CC(C)c1scnc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000341285148 334428970 /nfs/dbraw/zinc/42/89/70/334428970.db2.gz BOOYDZCZUAPEAG-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DIADHM Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1ccccc1[O-] ZINC000443306107 338448583 /nfs/dbraw/zinc/44/85/83/338448583.db2.gz FKOSNDRHOZWFAS-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CCC(CC)CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443559973 338454713 /nfs/dbraw/zinc/45/47/13/338454713.db2.gz PFEXQSLNOYGPFP-UHFFFAOYSA-N -1 3 305.296 4.056 20 0 DIADHM Cc1ccc([O-])c(CN[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000112716469 334722328 /nfs/dbraw/zinc/72/23/28/334722328.db2.gz OXNBHTTVAUEYND-KRWDZBQOSA-N -1 3 304.821 4.236 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)C(C)(C)C2CCOCC2)c([O-])c1 ZINC000330387187 334776946 /nfs/dbraw/zinc/77/69/46/334776946.db2.gz BMUNSOITGNNIQH-UHFFFAOYSA-N -1 3 319.445 4.081 20 0 DIADHM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000330405211 334778982 /nfs/dbraw/zinc/77/89/82/334778982.db2.gz MZMISPJAEVRBMF-HIFRSBDPSA-N -1 3 319.445 4.224 20 0 DIADHM CC[C@H](C)[C@H](OC)C(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000331308099 334852830 /nfs/dbraw/zinc/85/28/30/334852830.db2.gz BHGYBRDLQCELBP-NHYWBVRUSA-N -1 3 308.422 4.030 20 0 DIADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000344715675 335275340 /nfs/dbraw/zinc/27/53/40/335275340.db2.gz ZKYDJAIAXLBWAG-QGZVFWFLSA-N -1 3 315.800 4.161 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)c2c([O-])cccc21 ZINC000345136985 335300509 /nfs/dbraw/zinc/30/05/09/335300509.db2.gz ORNRKCNURWZXIB-NSHDSACASA-N -1 3 324.355 4.167 20 0 DIADHM Cc1ccccc1NCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345125298 335303385 /nfs/dbraw/zinc/30/33/85/335303385.db2.gz HHTKHBOQEFXVMD-AWEZNQCLSA-N -1 3 324.424 4.043 20 0 DIADHM Cc1nc([N-]C(=O)c2coc(-c3ccccc3Cl)n2)cs1 ZINC000345545601 335332282 /nfs/dbraw/zinc/33/22/82/335332282.db2.gz JCVFKJPYYGRYSW-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345940383 335362434 /nfs/dbraw/zinc/36/24/34/335362434.db2.gz NIOLZFNSSGDTQI-UHFFFAOYSA-N -1 3 316.744 4.056 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(-c2ccccc2)o1 ZINC000346066963 335372263 /nfs/dbraw/zinc/37/22/63/335372263.db2.gz WOCUEYTWRCYWEB-UHFFFAOYSA-N -1 3 308.337 4.373 20 0 DIADHM CCOc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2[n-]1 ZINC000346212780 335391035 /nfs/dbraw/zinc/39/10/35/335391035.db2.gz DPALSOVOACBFGP-UHFFFAOYSA-N -1 3 323.396 4.139 20 0 DIADHM CCOc1nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2[n-]1 ZINC000346212780 335391037 /nfs/dbraw/zinc/39/10/37/335391037.db2.gz DPALSOVOACBFGP-UHFFFAOYSA-N -1 3 323.396 4.139 20 0 DIADHM CC[C@H]1CCCC[C@H]1c1noc(-c2n[n-]nc2-c2ccccc2)n1 ZINC000583505045 335628645 /nfs/dbraw/zinc/62/86/45/335628645.db2.gz PRFLGNSZOACHKV-GXTWGEPZSA-N -1 3 323.400 4.206 20 0 DIADHM COc1cc2nc(C)sc2cc1NCc1cc([O-])cc(F)c1 ZINC000349628705 335686138 /nfs/dbraw/zinc/68/61/38/335686138.db2.gz HCBSIYYMUSQXFJ-UHFFFAOYSA-N -1 3 318.373 4.070 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000518970824 335755561 /nfs/dbraw/zinc/75/55/61/335755561.db2.gz PISXVCMZFIKSEE-QWRGUYRKSA-N -1 3 322.191 4.441 20 0 DIADHM O=C(Nc1ccccc1[O-])C1(c2ccc(F)cc2)CCCCC1 ZINC000536124851 335823218 /nfs/dbraw/zinc/82/32/18/335823218.db2.gz YDROKRMUIHYDCG-UHFFFAOYSA-N -1 3 313.372 4.372 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2cccc(F)c2)CCC1 ZINC000536218894 335831588 /nfs/dbraw/zinc/83/15/88/335831588.db2.gz FLDSCIJNXOKWQN-UHFFFAOYSA-N -1 3 319.763 4.245 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000351534407 336041157 /nfs/dbraw/zinc/04/11/57/336041157.db2.gz QJSHXXFSVMRYRK-UHFFFAOYSA-N -1 3 322.817 4.488 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1 ZINC000331834614 336150173 /nfs/dbraw/zinc/15/01/73/336150173.db2.gz BVEHKIVRXZJHNL-RDTXWAMCSA-N -1 3 324.424 4.134 20 0 DIADHM Cc1ccc([O-])c(CN(C)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000351972119 336184707 /nfs/dbraw/zinc/18/47/07/336184707.db2.gz IJFQIXJDWWXOLB-UHFFFAOYSA-N -1 3 311.212 4.034 20 0 DIADHM [O-]c1cc(F)cc(CN(Cc2ccco2)Cc2cccs2)c1 ZINC000351994341 336186754 /nfs/dbraw/zinc/18/67/54/336186754.db2.gz FVMBDBPWZLPQAS-UHFFFAOYSA-N -1 3 317.385 4.388 20 0 DIADHM [O-]c1c(-c2nc([C@@H]3CCCCS3)no2)ccc2c1CCCC2 ZINC000333050662 336197401 /nfs/dbraw/zinc/19/74/01/336197401.db2.gz LEDLHIYHVCFQKW-AWEZNQCLSA-N -1 3 316.426 4.279 20 0 DIADHM [O-]c1cc2c(cc1-c1nc([C@H]3CCCCS3)no1)CCCC2 ZINC000333090260 336197910 /nfs/dbraw/zinc/19/79/10/336197910.db2.gz SMRYAHUUYZXMAU-OAHLLOKOSA-N -1 3 316.426 4.279 20 0 DIADHM CC[C@H]1CCc2c(sc3[n-]c(-c4ccsn4)nc(=O)c23)C1 ZINC000333103220 336198011 /nfs/dbraw/zinc/19/80/11/336198011.db2.gz CPBFQINDISJMLY-QMMMGPOBSA-N -1 3 317.439 4.035 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1ccsc1 ZINC000352775885 336235738 /nfs/dbraw/zinc/23/57/38/336235738.db2.gz OFIXUDWDSCQRPO-CQSZACIVSA-N -1 3 307.802 4.084 20 0 DIADHM Cc1cccnc1-c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000042781123 336242631 /nfs/dbraw/zinc/24/26/31/336242631.db2.gz IHSYIBVIODPEIS-UHFFFAOYSA-N -1 3 319.389 4.022 20 0 DIADHM COc1cccc(-c2nc(-c3cccc4ccccc43)no2)c1[O-] ZINC000324827369 336260988 /nfs/dbraw/zinc/26/09/88/336260988.db2.gz UJXITKBKDGQEMI-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1csc([C@H](C)NCc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000352837818 336273191 /nfs/dbraw/zinc/27/31/91/336273191.db2.gz CAVQJEUNBJGRCW-VIFPVBQESA-N -1 3 316.348 4.027 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(NCCC3=CCCCC3)nc2)n1 ZINC000301154778 336292345 /nfs/dbraw/zinc/29/23/45/336292345.db2.gz CILAFGYTSIHFOO-UHFFFAOYSA-N -1 3 324.428 4.109 20 0 DIADHM CC(C)c1noc([N-][C@@H]2CCc3c2cccc3Br)n1 ZINC000301353491 336302140 /nfs/dbraw/zinc/30/21/40/336302140.db2.gz WXZUNCGOWCKMOD-GFCCVEGCSA-N -1 3 322.206 4.055 20 0 DIADHM C[C@@H](SCC(=O)Nc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000514109106 336363401 /nfs/dbraw/zinc/36/34/01/336363401.db2.gz KAXQZXXBVZFMLR-LLVKDONJSA-N -1 3 321.829 4.479 20 0 DIADHM CCc1nc(C[N-]c2nc(-c3cccc(Cl)c3)no2)cs1 ZINC000302683878 336364854 /nfs/dbraw/zinc/36/48/54/336364854.db2.gz STOCDYGMYMQWLV-UHFFFAOYSA-N -1 3 320.805 4.021 20 0 DIADHM Cc1cc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccc1[O-] ZINC000352938858 336378451 /nfs/dbraw/zinc/37/84/51/336378451.db2.gz INEUAUHLQXJLQI-GOSISDBHSA-N -1 3 307.393 4.068 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC(C2CCCCC2)C1 ZINC000564002673 336395613 /nfs/dbraw/zinc/39/56/13/336395613.db2.gz JADJYLPHNMWZEJ-UHFFFAOYSA-N -1 3 309.409 4.198 20 0 DIADHM Cc1cscc1NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000356503799 336552315 /nfs/dbraw/zinc/55/23/15/336552315.db2.gz BCPURGUGGZLFEL-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc([O-])c1 ZINC000357351522 336582079 /nfs/dbraw/zinc/58/20/79/336582079.db2.gz HAKWJSOJVOGXQE-UHFFFAOYSA-N -1 3 303.789 4.096 20 0 DIADHM Cc1ccc([C@H](NCc2cc([O-])cc(F)c2)c2ccccn2)cc1 ZINC000369545090 336866731 /nfs/dbraw/zinc/86/67/31/336866731.db2.gz CQFHSCJIZZNILR-FQEVSTJZSA-N -1 3 322.383 4.114 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC=C(c2ccco2)C1 ZINC000376024291 337025397 /nfs/dbraw/zinc/02/53/97/337025397.db2.gz CBHIQBXEDIFZFD-UHFFFAOYSA-N -1 3 319.360 4.068 20 0 DIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000426752051 337038382 /nfs/dbraw/zinc/03/83/82/337038382.db2.gz AMYMLOLNONGECY-BDJLRTHQSA-N -1 3 321.779 4.031 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000426754280 337050954 /nfs/dbraw/zinc/05/09/54/337050954.db2.gz PCZGHRBIXCLGMQ-DYVFJYSZSA-N -1 3 317.816 4.200 20 0 DIADHM COC(=O)c1cnc(S[C@@H](C)c2ccc3ccccc3c2)[n-]1 ZINC000193543813 337077871 /nfs/dbraw/zinc/07/78/71/337077871.db2.gz FJGZKTGFLXKTMR-NSHDSACASA-N -1 3 312.394 4.203 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC)cc2)CC)n1 ZINC000193619720 337078759 /nfs/dbraw/zinc/07/87/59/337078759.db2.gz ATMINOSBOJAZFV-QINSGFPZSA-N -1 3 312.413 4.072 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582671690 337119109 /nfs/dbraw/zinc/11/91/09/337119109.db2.gz SXDQMPFFDMWOJQ-RBZYPMLTSA-N -1 3 316.228 4.097 20 0 DIADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2Cl)[C@H]2CCC[C@@H]21 ZINC000394499003 337120061 /nfs/dbraw/zinc/12/00/61/337120061.db2.gz ZFICYWACRGVZLG-KBPBESRZSA-N -1 3 307.821 4.049 20 0 DIADHM CC[C@H](c1ccccc1OC)N(C)Cc1cc([O-])cc(F)c1 ZINC000582693797 337123374 /nfs/dbraw/zinc/12/33/74/337123374.db2.gz YCHZSUYUHLMJTK-QGZVFWFLSA-N -1 3 303.377 4.123 20 0 DIADHM Cc1cc2cc(C(=O)[N-]c3nnc(C(F)F)s3)oc2cc1C ZINC000173816438 337138463 /nfs/dbraw/zinc/13/84/63/337138463.db2.gz FXDHCNGAILXPOA-UHFFFAOYSA-N -1 3 323.324 4.091 20 0 DIADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1nc(-c2ccccc2)cs1 ZINC000182400472 337188100 /nfs/dbraw/zinc/18/81/00/337188100.db2.gz SBVBBYLECJFIFK-GFCCVEGCSA-N -1 3 324.405 4.007 20 0 DIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000582910248 337216598 /nfs/dbraw/zinc/21/65/98/337216598.db2.gz GGLAPLNNNRYKFC-IIAWOOMASA-N -1 3 313.397 4.164 20 0 DIADHM Cc1cc([C@@H](C)N2CCC[C@H]2c2ccsc2)oc1C(=O)[O-] ZINC000583029682 337231021 /nfs/dbraw/zinc/23/10/21/337231021.db2.gz ANLJWKSUABGOLO-YPMHNXCESA-N -1 3 305.399 4.246 20 0 DIADHM CCc1ncc(-c2nc(-c3ccc([O-])c4ccccc34)no2)s1 ZINC000583135383 337243154 /nfs/dbraw/zinc/24/31/54/337243154.db2.gz YCUYHMMIVJTWKC-UHFFFAOYSA-N -1 3 323.377 4.281 20 0 DIADHM Cc1coc(-c2cc(NCc3cc([O-])cc(F)c3)ccc2C)n1 ZINC000185600948 337249605 /nfs/dbraw/zinc/24/96/05/337249605.db2.gz WTQLOXAIXXSMTK-UHFFFAOYSA-N -1 3 312.344 4.415 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3cc(C)c4ccccc4n3)no2)c1 ZINC000392401792 337252500 /nfs/dbraw/zinc/25/25/00/337252500.db2.gz FWJSANBTHKZEMI-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])ccc1C(F)(F)F ZINC000188994700 337276311 /nfs/dbraw/zinc/27/63/11/337276311.db2.gz UNDHELLDIDRZJR-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000105109486 337302087 /nfs/dbraw/zinc/30/20/87/337302087.db2.gz BZRFIYLQKUZAMG-UHFFFAOYSA-N -1 3 323.392 4.281 20 0 DIADHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1=CCCCCC1 ZINC000525953778 337310299 /nfs/dbraw/zinc/31/02/99/337310299.db2.gz YQKWFCOGSDPQHA-UHFFFAOYSA-N -1 3 315.291 4.120 20 0 DIADHM Cc1cc([C@H](C)N2CCCC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000583818198 337338534 /nfs/dbraw/zinc/33/85/34/337338534.db2.gz QRYNADOUGKYIEW-AWEZNQCLSA-N -1 3 305.418 4.394 20 0 DIADHM Cc1ccc(NC(=O)c2cccc(-c3ccccn3)c2C)c([O-])c1 ZINC000129846955 337430801 /nfs/dbraw/zinc/43/08/01/337430801.db2.gz XZTUPCGOHPZGRZ-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CC(C)=CCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000446119481 338521117 /nfs/dbraw/zinc/52/11/17/338521117.db2.gz TXHUDWCMGZPSAX-UHFFFAOYSA-N -1 3 300.383 4.281 20 0 DIADHM Cc1ccc(NC(=O)c2occc2-c2ccc(F)cc2)c([O-])c1 ZINC000161701219 337595234 /nfs/dbraw/zinc/59/52/34/337595234.db2.gz NOJDETBKAQNDOV-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM CCSc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263425219 337628673 /nfs/dbraw/zinc/62/86/73/337628673.db2.gz QIPAHDGHDCYRDY-CYBMUJFWSA-N -1 3 315.438 4.348 20 0 DIADHM O=C([O-])c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000263583428 337631742 /nfs/dbraw/zinc/63/17/42/337631742.db2.gz ZXLPRVQSPWRAEJ-KRWDZBQOSA-N -1 3 315.800 4.279 20 0 DIADHM CCCCS[C@H](C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000445427270 337727490 /nfs/dbraw/zinc/72/74/90/337727490.db2.gz OAVOBTXHOLBHNZ-LLVKDONJSA-N -1 3 322.430 4.435 20 0 DIADHM Cc1ccc2cc(C(=O)Nc3ccc(Cl)cc3[O-])[nH]c2c1 ZINC000533159221 337832099 /nfs/dbraw/zinc/83/20/99/337832099.db2.gz ODNIVLUOGBFFMF-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM O=C(Cc1csc2ccccc12)Nc1ccc(Cl)cc1[O-] ZINC000533159442 337832121 /nfs/dbraw/zinc/83/21/21/337832121.db2.gz ANJXFJPXLLOYJF-UHFFFAOYSA-N -1 3 317.797 4.442 20 0 DIADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1F ZINC000533159584 337832129 /nfs/dbraw/zinc/83/21/29/337832129.db2.gz KDHBGHJNWNSLIR-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM CC(C)(C)c1ncsc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159735 337832183 /nfs/dbraw/zinc/83/21/83/337832183.db2.gz STRXKQVVRDHYPS-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000533159632 337832228 /nfs/dbraw/zinc/83/22/28/337832228.db2.gz MWNDJXXGRHPGGO-QWRGUYRKSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1ccc(NC(=O)[C@H](C)CSCc2ccccc2)c([O-])c1 ZINC000533345262 337842296 /nfs/dbraw/zinc/84/22/96/337842296.db2.gz HJZWBEADOSYHOX-CQSZACIVSA-N -1 3 315.438 4.209 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(Cl)c3cccnc23)c([O-])c1 ZINC000119468933 337860735 /nfs/dbraw/zinc/86/07/35/337860735.db2.gz KEQLNBGKDGWUCN-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000060244990 337906434 /nfs/dbraw/zinc/90/64/34/337906434.db2.gz BSIDGLSDUCIPAX-STQMWFEESA-N -1 3 322.191 4.441 20 0 DIADHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000515051187 337978660 /nfs/dbraw/zinc/97/86/60/337978660.db2.gz VSEQHEKQHFOZCF-JCBKOVKPSA-N -1 3 318.323 4.209 20 0 DIADHM Cc1cncc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)c1 ZINC000515256495 337983864 /nfs/dbraw/zinc/98/38/64/337983864.db2.gz ACDSPCQKNBNVRU-UHFFFAOYSA-N -1 3 316.773 4.303 20 0 DIADHM CC(C)Oc1cccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000516376520 338012180 /nfs/dbraw/zinc/01/21/80/338012180.db2.gz MNIPKTXASWKGDL-UHFFFAOYSA-N -1 3 314.772 4.443 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000426646001 338036845 /nfs/dbraw/zinc/03/68/45/338036845.db2.gz JRXCZNGVZRTNSC-SNVBAGLBSA-N -1 3 304.217 4.117 20 0 DIADHM CC(C)C[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426649116 338037073 /nfs/dbraw/zinc/03/70/73/338037073.db2.gz WEBKTWBKOMLCJL-SFHVURJKSA-N -1 3 315.388 4.082 20 0 DIADHM CC(C)(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426678338 338037800 /nfs/dbraw/zinc/03/78/00/338037800.db2.gz PQFROPVZLMXJHW-INIZCTEOSA-N -1 3 317.454 4.351 20 0 DIADHM CCc1ccc(-c2ccc(CNCCCCCC(=O)[O-])o2)cc1 ZINC000426683342 338038014 /nfs/dbraw/zinc/03/80/14/338038014.db2.gz RAIBAKIUDADEKB-UHFFFAOYSA-N -1 3 315.413 4.244 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000426688332 338038223 /nfs/dbraw/zinc/03/82/23/338038223.db2.gz PQPAPIUSAQQHGZ-UHFFFAOYSA-N -1 3 323.314 4.002 20 0 DIADHM CC(C)Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426693436 338038409 /nfs/dbraw/zinc/03/84/09/338038409.db2.gz ZYLYBPAZIVOHHO-KRWDZBQOSA-N -1 3 317.454 4.252 20 0 DIADHM CCSc1cccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426716915 338039056 /nfs/dbraw/zinc/03/90/56/338039056.db2.gz YQRZMBRFXKHKAQ-KRWDZBQOSA-N -1 3 315.438 4.023 20 0 DIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000426721695 338039196 /nfs/dbraw/zinc/03/91/96/338039196.db2.gz DAVFKXTXRXICMR-BZNIZROVSA-N -1 3 321.779 4.031 20 0 DIADHM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000426724392 338039316 /nfs/dbraw/zinc/03/93/16/338039316.db2.gz RZDHQYCUNACDPV-DYVFJYSZSA-N -1 3 317.816 4.200 20 0 DIADHM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Cl ZINC000426724394 338039362 /nfs/dbraw/zinc/03/93/62/338039362.db2.gz RZDHQYCUNACDPV-SUMWQHHRSA-N -1 3 317.816 4.200 20 0 DIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000426742063 338040301 /nfs/dbraw/zinc/04/03/01/338040301.db2.gz ILRDJELHBARFCR-ZBEGNZNMSA-N -1 3 321.779 4.031 20 0 DIADHM O=C([O-])C[C@@H](NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000426748316 338040507 /nfs/dbraw/zinc/04/05/07/338040507.db2.gz WJQZBPQMGHDJFW-OAHLLOKOSA-N -1 3 324.207 4.299 20 0 DIADHM O=C([O-])[C@H](CC1CCCC1)NCc1cccc(Cl)c1Cl ZINC000426762636 338041369 /nfs/dbraw/zinc/04/13/69/338041369.db2.gz MBZUFALWRKAJJD-ZDUSSCGKSA-N -1 3 316.228 4.117 20 0 DIADHM O=C([N-]c1cccc(Cl)c1F)c1ncsc1C(F)(F)F ZINC000431038103 338121008 /nfs/dbraw/zinc/12/10/08/338121008.db2.gz MNADUYFYPFEGJH-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM CCCn1c(=O)[n-]nc1S[C@H](C)CCSc1ccccc1 ZINC000431224349 338126347 /nfs/dbraw/zinc/12/63/47/338126347.db2.gz WNPYEEJXKYSPEV-GFCCVEGCSA-N -1 3 323.487 4.057 20 0 DIADHM CC(C)(C)c1ccc(O)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431615692 338134669 /nfs/dbraw/zinc/13/46/69/338134669.db2.gz YZHSVROANYILCW-UHFFFAOYSA-N 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OOCMPHWAAOICBL-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@H](Cc1noc(/C=C/c2cccc([O-])c2)n1)c1ccccc1 ZINC000435944631 338253796 /nfs/dbraw/zinc/25/37/96/338253796.db2.gz DSFLIAQHVLUIIF-PLSXKVAHSA-N -1 3 306.365 4.292 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(CSCc3ccccc3)no2)c1 ZINC000435956029 338254164 /nfs/dbraw/zinc/25/41/64/338254164.db2.gz UMJXAAKDBQAHST-MDZDMXLPSA-N -1 3 324.405 4.379 20 0 DIADHM COc1ccc2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2c1 ZINC000436518484 338274774 /nfs/dbraw/zinc/27/47/74/338274774.db2.gz YNMDCCGISAWVQY-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@H]1CCc1ccccc1 ZINC000436520495 338274897 /nfs/dbraw/zinc/27/48/97/338274897.db2.gz GOOYSOQBZMXAPW-KRWDZBQOSA-N -1 3 309.409 4.020 20 0 DIADHM Cc1ccc(-c2nc(-c3cccc4ncccc43)no2)c([O-])c1C ZINC000436522354 338275050 /nfs/dbraw/zinc/27/50/50/338275050.db2.gz LECBNIPJOKQGMA-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CCC(C)(C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436527606 338275218 /nfs/dbraw/zinc/27/52/18/338275218.db2.gz IQMSPYRFIDQJRA-UHFFFAOYSA-N -1 3 311.425 4.244 20 0 DIADHM CCCOc1ccc(CCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436530412 338275293 /nfs/dbraw/zinc/27/52/93/338275293.db2.gz DUMOGXQHDXJJPY-UHFFFAOYSA-N -1 3 324.380 4.016 20 0 DIADHM CC[C@H](Oc1cccc(C)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533694 338275610 /nfs/dbraw/zinc/27/56/10/338275610.db2.gz NAQLRVNAXDTMCW-INIZCTEOSA-N -1 3 310.353 4.281 20 0 DIADHM C[C@H](c1ccc(Cl)s1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436534803 338275648 /nfs/dbraw/zinc/27/56/48/338275648.db2.gz QHHZNWAYPGMHOO-MRVPVSSYSA-N -1 3 306.774 4.309 20 0 DIADHM C[C@H](CCc1cccc(F)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533825 338275821 /nfs/dbraw/zinc/27/58/21/338275821.db2.gz NTVDUCPDAFFVFT-GFCCVEGCSA-N -1 3 312.344 4.318 20 0 DIADHM Cc1ccc(C(=O)N([C@H](C)c2ccccc2)C2CC2)c([O-])c1C ZINC000436537675 338275853 /nfs/dbraw/zinc/27/58/53/338275853.db2.gz YPCSCZADUZPWFJ-OAHLLOKOSA-N -1 3 309.409 4.375 20 0 DIADHM COc1cccc(N(CC(C)C)C(=O)c2cc(C)ccc2[O-])c1 ZINC000436536778 338275861 /nfs/dbraw/zinc/27/58/61/338275861.db2.gz CKVIBTRDELIGHY-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cncc(-c4ccccc4)c3)n2)cc1 ZINC000436536306 338276005 /nfs/dbraw/zinc/27/60/05/338276005.db2.gz UPPIAXDVTBGYAQ-UHFFFAOYSA-N -1 3 315.332 4.171 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c([O-])c1C ZINC000436551634 338276652 /nfs/dbraw/zinc/27/66/52/338276652.db2.gz QERMEDPXCXVBNU-UHFFFAOYSA-N -1 3 313.397 4.187 20 0 DIADHM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000436554424 338276875 /nfs/dbraw/zinc/27/68/75/338276875.db2.gz HOTCOIUEJQFDCL-LBPRGKRZSA-N -1 3 315.800 4.411 20 0 DIADHM C[C@H](c1ccccc1Cl)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000436554423 338276881 /nfs/dbraw/zinc/27/68/81/338276881.db2.gz HOTCOIUEJQFDCL-GFCCVEGCSA-N -1 3 315.800 4.411 20 0 DIADHM Cc1ccc(C(=O)N2CCC(c3ccccc3C)CC2)c([O-])c1C ZINC000436555028 338276898 /nfs/dbraw/zinc/27/68/98/338276898.db2.gz HXRCRUWSOIWYOV-UHFFFAOYSA-N -1 3 323.436 4.337 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000436552776 338276904 /nfs/dbraw/zinc/27/69/04/338276904.db2.gz CWTOEBOZHAYIFZ-BHIYHBOVSA-N -1 3 321.420 4.109 20 0 DIADHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436570758 338277594 /nfs/dbraw/zinc/27/75/94/338277594.db2.gz ATPSIKVVCNXGPY-QGZVFWFLSA-N -1 3 313.372 4.207 20 0 DIADHM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436571271 338277625 /nfs/dbraw/zinc/27/76/25/338277625.db2.gz CJUJEYNASSCYFX-HUUCEWRRSA-N -1 3 321.486 4.262 20 0 DIADHM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436571273 338277694 /nfs/dbraw/zinc/27/76/94/338277694.db2.gz CJUJEYNASSCYFX-LSDHHAIUSA-N -1 3 321.486 4.262 20 0 DIADHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436570756 338277711 /nfs/dbraw/zinc/27/77/11/338277711.db2.gz ATPSIKVVCNXGPY-KRWDZBQOSA-N -1 3 313.372 4.207 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1C ZINC000436569426 338277715 /nfs/dbraw/zinc/27/77/15/338277715.db2.gz DMRDFWJJPXLDOA-KBPBESRZSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c1 ZINC000436573336 338277870 /nfs/dbraw/zinc/27/78/70/338277870.db2.gz BULWOELZPTVIQV-UHFFFAOYSA-N -1 3 321.380 4.018 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000436576012 338277964 /nfs/dbraw/zinc/27/79/64/338277964.db2.gz PJJWLDOSVAOUTM-CXAGYDPISA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c1[O-] ZINC000436579846 338278103 /nfs/dbraw/zinc/27/81/03/338278103.db2.gz ZPDSWVDKCOOZOO-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436582333 338278291 /nfs/dbraw/zinc/27/82/91/338278291.db2.gz HHLRDMCPQWSOHJ-DOTOQJQBSA-N -1 3 319.470 4.016 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)c([O-])c1 ZINC000436583585 338278415 /nfs/dbraw/zinc/27/84/15/338278415.db2.gz HROLBCYYAQKWRO-ZDUSSCGKSA-N -1 3 313.397 4.054 20 0 DIADHM Cc1ncsc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589322 338278669 /nfs/dbraw/zinc/27/86/69/338278669.db2.gz OWPSAVRNUCQHFR-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCc1c(NC(=O)c2ccc(C)cc2[O-])cnn1C(CC)CC ZINC000436595947 338279152 /nfs/dbraw/zinc/27/91/52/338279152.db2.gz OLHRPNBBVIVGDL-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccncc3Cl)n2)c2ccccc12 ZINC000436605232 338279671 /nfs/dbraw/zinc/27/96/71/338279671.db2.gz BMAQYODTUNMRLD-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM C[C@H]1C[C@H](C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436610190 338279859 /nfs/dbraw/zinc/27/98/59/338279859.db2.gz JOXAIWFPEOAJAO-HOTGVXAUSA-N -1 3 323.436 4.101 20 0 DIADHM Cc1coc(C)c1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614070 338279960 /nfs/dbraw/zinc/27/99/60/338279960.db2.gz UYEOYLBJONHUBQ-UHFFFAOYSA-N -1 3 306.321 4.472 20 0 DIADHM C[C@@H](c1nc(-c2ccc([O-])c3ccccc23)no1)c1cccnc1 ZINC000436614443 338280060 /nfs/dbraw/zinc/28/00/60/338280060.db2.gz XPEAOTKPYVPPNH-GFCCVEGCSA-N -1 3 317.348 4.142 20 0 DIADHM C[C@H](c1nc(-c2ccc([O-])c3ccccc23)no1)c1cccnc1 ZINC000436614444 338280162 /nfs/dbraw/zinc/28/01/62/338280162.db2.gz XPEAOTKPYVPPNH-LBPRGKRZSA-N -1 3 317.348 4.142 20 0 DIADHM COc1csc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436614268 338280176 /nfs/dbraw/zinc/28/01/76/338280176.db2.gz VROMACMFDBLQQE-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM O=C(c1ccccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000436674057 338282284 /nfs/dbraw/zinc/28/22/84/338282284.db2.gz GRQYHIUVMCTYFH-BHIYHBOVSA-N -1 3 321.420 4.191 20 0 DIADHM COc1ccc([O-])c(-c2nc([C@H]3CCCC(C)(C)C3)no2)c1 ZINC000436685214 338282876 /nfs/dbraw/zinc/28/28/76/338282876.db2.gz AXXXSBKSOKLSFJ-NSHDSACASA-N -1 3 302.374 4.135 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cccc3ccccc32)c([O-])c1 ZINC000436708347 338283481 /nfs/dbraw/zinc/28/34/81/338283481.db2.gz JKSNZBHVSWODNI-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 ZINC000436721210 338284150 /nfs/dbraw/zinc/28/41/50/338284150.db2.gz WAGODKZQEKUMIK-CVEARBPZSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)oc1C ZINC000436723834 338284308 /nfs/dbraw/zinc/28/43/08/338284308.db2.gz RAKMHEKGRUMJCW-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000436732337 338284605 /nfs/dbraw/zinc/28/46/05/338284605.db2.gz CRRXHFLIZVAMJI-JKSUJKDBSA-N -1 3 301.430 4.166 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c([O-])c1C ZINC000436747603 338285132 /nfs/dbraw/zinc/28/51/32/338285132.db2.gz LVGCXJVROFHMOS-INIZCTEOSA-N -1 3 315.438 4.294 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c1 ZINC000436748615 338285202 /nfs/dbraw/zinc/28/52/02/338285202.db2.gz GXIGUKSMCMJMFT-NVXWUHKLSA-N -1 3 309.409 4.109 20 0 DIADHM CCN(Cc1cccs1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436744187 338285223 /nfs/dbraw/zinc/28/52/23/338285223.db2.gz KEZVSBDLRJIOMQ-UHFFFAOYSA-N -1 3 303.427 4.239 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000436750023 338285472 /nfs/dbraw/zinc/28/54/72/338285472.db2.gz LSWFHUPJZPRKFO-NVXWUHKLSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1C ZINC000436757510 338285715 /nfs/dbraw/zinc/28/57/15/338285715.db2.gz HZMDWTITZMEUOA-LBPRGKRZSA-N -1 3 319.351 4.120 20 0 DIADHM C[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436758104 338285918 /nfs/dbraw/zinc/28/59/18/338285918.db2.gz LHVJJYZUKVUQKI-AWEZNQCLSA-N -1 3 311.381 4.057 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1C ZINC000436766758 338286376 /nfs/dbraw/zinc/28/63/76/338286376.db2.gz SXMZNRLBGKSRII-GOSISDBHSA-N -1 3 309.409 4.295 20 0 DIADHM CCn1cc(-c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436765995 338286416 /nfs/dbraw/zinc/28/64/16/338286416.db2.gz BETUUTYFWVALEA-UHFFFAOYSA-N -1 3 305.337 4.084 20 0 DIADHM CC(C)c1cccc(OCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436770959 338286683 /nfs/dbraw/zinc/28/66/83/338286683.db2.gz WGOMBGLCVZBZIK-UHFFFAOYSA-N -1 3 310.353 4.145 20 0 DIADHM COc1ccccc1C/C(C)=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436771143 338286751 /nfs/dbraw/zinc/28/67/51/338286751.db2.gz XWIOQYKHJIPVBI-OUKQBFOZSA-N -1 3 322.364 4.097 20 0 DIADHM Cc1[nH]c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2c1C ZINC000436770929 338286761 /nfs/dbraw/zinc/28/67/61/338286761.db2.gz VZDXZBFSLACAEY-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000436771125 338286841 /nfs/dbraw/zinc/28/68/41/338286841.db2.gz XRSTZPUFVISFSR-UHFFFAOYSA-N -1 3 320.270 4.052 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1C ZINC000436783898 338287135 /nfs/dbraw/zinc/28/71/35/338287135.db2.gz NYZQSPHOIRQAMX-MAUKXSAKSA-N -1 3 323.436 4.417 20 0 DIADHM C[C@H](CN(C)C(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436786372 338287349 /nfs/dbraw/zinc/28/73/49/338287349.db2.gz YAYINWSQVBILOH-OAHLLOKOSA-N -1 3 323.436 4.147 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC000436789296 338287531 /nfs/dbraw/zinc/28/75/31/338287531.db2.gz BGJXFJPQMLQLOQ-QGZVFWFLSA-N -1 3 309.409 4.111 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)c1[O-] ZINC000436794408 338287596 /nfs/dbraw/zinc/28/75/96/338287596.db2.gz WFKBFKRHHWWRNU-KRWDZBQOSA-N -1 3 315.388 4.309 20 0 DIADHM Cc1cc(F)cc2[nH]c(-c3nc(-c4ccc([O-])cc4)no3)cc21 ZINC000436814535 338288304 /nfs/dbraw/zinc/28/83/04/338288304.db2.gz SDBQOTOMCMPVDF-UHFFFAOYSA-N -1 3 309.300 4.038 20 0 DIADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436817866 338288432 /nfs/dbraw/zinc/28/84/32/338288432.db2.gz IYIVBCBHVNSCAK-OWBHPGMISA-N -1 3 309.409 4.185 20 0 DIADHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CC1(C)C ZINC000436823811 338288652 /nfs/dbraw/zinc/28/86/52/338288652.db2.gz XGSWMBWXYPFFDH-KRWDZBQOSA-N -1 3 311.381 4.055 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)c([O-])c1 ZINC000436825147 338288741 /nfs/dbraw/zinc/28/87/41/338288741.db2.gz JOMBYZQMCHQMMU-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([O-])c(C)c3)C2)cc1 ZINC000436832136 338288933 /nfs/dbraw/zinc/28/89/33/338288933.db2.gz ZBSDLPZVADLHNE-CRAIPNDOSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c([O-])c1 ZINC000436849343 338289914 /nfs/dbraw/zinc/28/99/14/338289914.db2.gz SAZCWPDKYPVBKG-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCc1ccc(-c2nc([C@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436854386 338290089 /nfs/dbraw/zinc/29/00/89/338290089.db2.gz FFOAAYVZCWNGPD-LBPRGKRZSA-N -1 3 310.353 4.145 20 0 DIADHM CCCN(C(=O)c1cccc(C)c1[O-])[C@@H]1CCc2ccccc21 ZINC000436859335 338290141 /nfs/dbraw/zinc/29/01/41/338290141.db2.gz AVWHSRRPRHMYPI-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM Cc1oc2ccccc2c1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436868508 338290611 /nfs/dbraw/zinc/29/06/11/338290611.db2.gz HTMZUJVTLOJAAS-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM COc1cc(-c2noc(-c3scc(C)c3Cl)n2)ccc1[O-] ZINC000436871275 338290822 /nfs/dbraw/zinc/29/08/22/338290822.db2.gz JSWXNXZURNSWOI-UHFFFAOYSA-N -1 3 322.773 4.141 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc(-c4ccccc4)[nH]3)n2)cc1 ZINC000436888591 338291873 /nfs/dbraw/zinc/29/18/73/338291873.db2.gz ODQKXVLCSLFTJY-UHFFFAOYSA-N -1 3 303.321 4.104 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000436889438 338291925 /nfs/dbraw/zinc/29/19/25/338291925.db2.gz BPZMTSRVPSGZIV-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3OC(F)F)no2)c([O-])c1 ZINC000436890409 338292161 /nfs/dbraw/zinc/29/21/61/338292161.db2.gz BIXRLYKFYZCUOB-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3cc4ccccc4o3)n2)cc1 ZINC000436893991 338292290 /nfs/dbraw/zinc/29/22/90/338292290.db2.gz PXYSWRHDMGHJMR-MDZDMXLPSA-N -1 3 304.305 4.359 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cc4ccccc4o3)n2)cc1 ZINC000436893988 338292429 /nfs/dbraw/zinc/29/24/29/338292429.db2.gz PXYSWRHDMGHJMR-KTKRTIGZSA-N -1 3 304.305 4.359 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436898830 338292463 /nfs/dbraw/zinc/29/24/63/338292463.db2.gz AEIBNSQWKSHMOG-QXPKXGMISA-N -1 3 307.393 4.019 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c([O-])c1 ZINC000436899179 338292504 /nfs/dbraw/zinc/29/25/04/338292504.db2.gz BXJWJXKELUXLIW-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000436899988 338292624 /nfs/dbraw/zinc/29/26/24/338292624.db2.gz ALIIYGQWGILBRQ-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c1[O-] ZINC000436902621 338292671 /nfs/dbraw/zinc/29/26/71/338292671.db2.gz QPNPEKIZYUFQAN-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM COc1ccc2cc(-c3noc(-c4ccccc4[O-])n3)ccc2c1 ZINC000436900134 338292692 /nfs/dbraw/zinc/29/26/92/338292692.db2.gz GYNDYSNSQCCOKB-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1[O-] ZINC000436902455 338292771 /nfs/dbraw/zinc/29/27/71/338292771.db2.gz PZMYTRNVTXEDHW-QOHRORDFSA-N -1 3 307.393 4.019 20 0 DIADHM Cc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000436899987 338292785 /nfs/dbraw/zinc/29/27/85/338292785.db2.gz ALIIYGQWGILBRQ-LLVKDONJSA-N -1 3 323.314 4.210 20 0 DIADHM CC(C)COc1ccccc1-c1noc(-c2ccccc2[O-])n1 ZINC000436909201 338293156 /nfs/dbraw/zinc/29/31/56/338293156.db2.gz LOGHAZRQBVKCMZ-UHFFFAOYSA-N -1 3 310.353 4.144 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c([O-])c1 ZINC000436915094 338293169 /nfs/dbraw/zinc/29/31/69/338293169.db2.gz OTHHCRDCYHZLPZ-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM Cc1cc2sc(NC(=O)c3ccc([O-])c(C)c3)nc2cc1F ZINC000436918320 338293505 /nfs/dbraw/zinc/29/35/05/338293505.db2.gz HFPTWKPUBZSKRY-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM Cc1csc(-c2noc(-c3cc4ccccc4cc3[O-])n2)n1 ZINC000436923778 338293597 /nfs/dbraw/zinc/29/35/97/338293597.db2.gz AHYMPALMXUNCAW-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM COc1cccc(N(CC(C)C)C(=O)c2ccc([O-])c(C)c2)c1 ZINC000436924421 338293614 /nfs/dbraw/zinc/29/36/14/338293614.db2.gz FOQACQDCKUATTP-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc([O-])c(C)c1 ZINC000436924948 338293628 /nfs/dbraw/zinc/29/36/28/338293628.db2.gz HSLXHYBQKUVISP-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM COc1cc(-c2noc(/C(C)=C/c3ccc(C)cc3)n2)ccc1[O-] ZINC000436924152 338293720 /nfs/dbraw/zinc/29/37/20/338293720.db2.gz FNBXLZMGDSEIFH-JLHYYAGUSA-N -1 3 322.364 4.320 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H]3CCCC[C@H]3C)no2)c1[O-] ZINC000436927356 338293827 /nfs/dbraw/zinc/29/38/27/338293827.db2.gz PAFOENHPRVPMTR-VXGBXAGGSA-N -1 3 302.374 4.053 20 0 DIADHM Cc1ccc([O-])c(-c2nc(Cc3c[nH]c4cccc(C)c34)no2)c1 ZINC000436930535 338293967 /nfs/dbraw/zinc/29/39/67/338293967.db2.gz HFGKKLMIMVHOIX-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1 ZINC000436928131 338294022 /nfs/dbraw/zinc/29/40/22/338294022.db2.gz QBRCLQZOTNMMJO-BFYDXBDKSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1 ZINC000436928134 338294122 /nfs/dbraw/zinc/29/41/22/338294122.db2.gz QBRCLQZOTNMMJO-INMHGKMJSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000436935484 338294490 /nfs/dbraw/zinc/29/44/90/338294490.db2.gz CJMODSYXUNSZJY-IIDMSEBBSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1ccc(-c2nc([C@H]3CCc4ccccc43)no2)c([O-])c1C ZINC000436938480 338294647 /nfs/dbraw/zinc/29/46/47/338294647.db2.gz LQPQYNMUMCOODT-HNNXBMFYSA-N -1 3 306.365 4.137 20 0 DIADHM CCNc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436940368 338294730 /nfs/dbraw/zinc/29/47/30/338294730.db2.gz WBQYIUJOHFDPED-UHFFFAOYSA-N -1 3 304.777 4.038 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000436940169 338294820 /nfs/dbraw/zinc/29/48/20/338294820.db2.gz UMUHPJYOOAEHST-SFHVURJKSA-N -1 3 311.425 4.184 20 0 DIADHM CCc1cnc(/C=C/c2ccc3c(OC)ccc([O-])c3n2)s1 ZINC000436943675 338294907 /nfs/dbraw/zinc/29/49/07/338294907.db2.gz NFCYQPWJVWLTEX-WEVVVXLNSA-N -1 3 312.394 4.138 20 0 DIADHM Cc1nc2ccc(-c3noc(-c4cc(C)ccc4[O-])n3)cc2s1 ZINC000436941095 338294963 /nfs/dbraw/zinc/29/49/63/338294963.db2.gz ONXYCHZUICNOGE-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM Cc1ccccc1OCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436941747 338295075 /nfs/dbraw/zinc/29/50/75/338295075.db2.gz SDYGJQCHNIVSHD-UHFFFAOYSA-N -1 3 324.380 4.453 20 0 DIADHM COc1cc(C)cc(-c2nc(C[C@H](C)c3ccccc3)no2)c1[O-] ZINC000436944687 338295217 /nfs/dbraw/zinc/29/52/17/338295217.db2.gz KXLRDIRQXCVWMN-ZDUSSCGKSA-N -1 3 324.380 4.105 20 0 DIADHM Cc1ccc(-c2nc(CCCc3ccsc3)no2)c([O-])c1C ZINC000436952184 338295564 /nfs/dbraw/zinc/29/55/64/338295564.db2.gz WBKPOKJSOIZYNU-UHFFFAOYSA-N -1 3 314.410 4.296 20 0 DIADHM Cc1cccc(C2(c3noc(-c4ccc(C)cc4[O-])n3)CC2)c1 ZINC000436954374 338295702 /nfs/dbraw/zinc/29/57/02/338295702.db2.gz GAWNDOOKSQEXGM-UHFFFAOYSA-N -1 3 306.365 4.139 20 0 DIADHM CCCN(C(=O)c1ccc([O-])c(C)c1)[C@@H]1CCCc2cccnc21 ZINC000436953588 338295752 /nfs/dbraw/zinc/29/57/52/338295752.db2.gz ABUIMLYYOVQNEG-QGZVFWFLSA-N -1 3 324.424 4.025 20 0 DIADHM Cc1cc(C(=O)N[C@H](C)c2cc3cccc(F)c3o2)ccc1[O-] ZINC000436988177 338296749 /nfs/dbraw/zinc/29/67/49/338296749.db2.gz WEDTVQKZRQPYRE-LLVKDONJSA-N -1 3 313.328 4.077 20 0 DIADHM CC(C)c1ccc(-c2nc(Cc3cccc(F)c3)no2)c([O-])c1 ZINC000436992678 338296961 /nfs/dbraw/zinc/29/69/61/338296961.db2.gz WGGKIHZRDWZAMR-UHFFFAOYSA-N -1 3 312.344 4.296 20 0 DIADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)c1cccc(Cl)c1 ZINC000438760691 338351754 /nfs/dbraw/zinc/35/17/54/338351754.db2.gz YFJNTIKSGBHABY-JTQLQIEISA-N -1 3 300.745 4.247 20 0 DIADHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000438889276 338354865 /nfs/dbraw/zinc/35/48/65/338354865.db2.gz GOPXYNJGJUQEGD-UHFFFAOYSA-N -1 3 311.381 4.298 20 0 DIADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCc2ccccc2C1 ZINC000439098917 338360952 /nfs/dbraw/zinc/36/09/52/338360952.db2.gz RGFLNBMJAJSBLP-GOSISDBHSA-N -1 3 315.800 4.179 20 0 DIADHM CCC(CC)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])on1 ZINC000439101700 338360968 /nfs/dbraw/zinc/36/09/68/338360968.db2.gz YQIAWGSKDCYEOX-UHFFFAOYSA-N -1 3 308.765 4.190 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439099323 338361067 /nfs/dbraw/zinc/36/10/67/338361067.db2.gz PZZZIPWWQVSGJZ-PWSUYJOCSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439099324 338361072 /nfs/dbraw/zinc/36/10/72/338361072.db2.gz PZZZIPWWQVSGJZ-ZYHUDNBSSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])c1C ZINC000439325410 338367363 /nfs/dbraw/zinc/36/73/63/338367363.db2.gz KKOGINBASMJRFN-SFHVURJKSA-N -1 3 309.409 4.295 20 0 DIADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(C1)CCCCC2 ZINC000440184054 338384038 /nfs/dbraw/zinc/38/40/38/338384038.db2.gz NCTFRSXDVYNNHY-UHFFFAOYSA-N -1 3 313.441 4.067 20 0 DIADHM Cc1cccc(C(=O)N2CCCC3(C2)CCCCCC3)c1[O-] ZINC000440325874 338385684 /nfs/dbraw/zinc/38/56/84/338385684.db2.gz JGGDYPRCHBXEPY-UHFFFAOYSA-N -1 3 301.430 4.277 20 0 DIADHM O=C(Cc1cccc(Cl)c1Cl)Nc1ccc([O-])cc1F ZINC000194466631 338533003 /nfs/dbraw/zinc/53/30/03/338533003.db2.gz XUGMVFSSGBHSNF-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CC(C)N(C(=O)CCc1ccc2ccccc2c1[O-])C1CCC1 ZINC000449976097 338661492 /nfs/dbraw/zinc/66/14/92/338661492.db2.gz SZJFWXHWHWSGCV-UHFFFAOYSA-N -1 3 311.425 4.268 20 0 DIADHM CC[C@@H](CC(F)(F)F)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000450942077 338713572 /nfs/dbraw/zinc/71/35/72/338713572.db2.gz UJKFLSJLDODAOA-QWRGUYRKSA-N -1 3 315.335 4.211 20 0 DIADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C1(C)CCCC1 ZINC000451490503 338736508 /nfs/dbraw/zinc/73/65/08/338736508.db2.gz IDAKZRJMOOVGGL-UHFFFAOYSA-N -1 3 311.425 4.269 20 0 DIADHM Cc1ccc(CN(C(=O)c2cc(C)ccc2[O-])C(C)C)s1 ZINC000195648568 338912438 /nfs/dbraw/zinc/91/24/38/338912438.db2.gz KMHTXOSTROMKBQ-UHFFFAOYSA-N -1 3 303.427 4.121 20 0 DIADHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)ccc1[O-] ZINC000458027400 338986383 /nfs/dbraw/zinc/98/63/83/338986383.db2.gz MSSQMNJWJICTSY-MSOLQXFVSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c1[O-] ZINC000458092857 338988115 /nfs/dbraw/zinc/98/81/15/338988115.db2.gz QFNSXJMQDDAUHN-FUHWJXTLSA-N -1 3 309.409 4.109 20 0 DIADHM CCOc1cc(CN(C)[C@H](C)c2ccco2)cc(Cl)c1[O-] ZINC000459299837 339020084 /nfs/dbraw/zinc/02/00/84/339020084.db2.gz LJIAUNAPEHQHTA-LLVKDONJSA-N -1 3 309.793 4.230 20 0 DIADHM CC(C)N(Cc1ccco1)Cc1cccc([O-])c1Br ZINC000459315671 339021104 /nfs/dbraw/zinc/02/11/04/339021104.db2.gz RUHCJVVMURKPBC-UHFFFAOYSA-N -1 3 324.218 4.158 20 0 DIADHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)cc1 ZINC000461421463 339063599 /nfs/dbraw/zinc/06/35/99/339063599.db2.gz COVYNUUHAPCAON-GFCCVEGCSA-N -1 3 321.417 4.448 20 0 DIADHM CCOCc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[n-]1 ZINC000463232876 339110785 /nfs/dbraw/zinc/11/07/85/339110785.db2.gz VSHRZRNTXXNFCN-UHFFFAOYSA-N -1 3 314.410 4.217 20 0 DIADHM C=Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000463458195 339118543 /nfs/dbraw/zinc/11/85/43/339118543.db2.gz YCSMMTSGFBBTOM-UHFFFAOYSA-N -1 3 318.170 4.050 20 0 DIADHM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000467079202 339225864 /nfs/dbraw/zinc/22/58/64/339225864.db2.gz NDORGJUZZUKYRU-UHFFFAOYSA-N -1 3 321.417 4.314 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2csc(Cl)c2)s1 ZINC000467855782 339247821 /nfs/dbraw/zinc/24/78/21/339247821.db2.gz YOPLJTFAIPPEHF-UHFFFAOYSA-N -1 3 315.851 4.238 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C)c1 ZINC000468310041 339259432 /nfs/dbraw/zinc/25/94/32/339259432.db2.gz TULXBOUHZBIKEZ-UHFFFAOYSA-N -1 3 315.388 4.216 20 0 DIADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000468373122 339260967 /nfs/dbraw/zinc/26/09/67/339260967.db2.gz PJBFHHNFOHUZND-UHFFFAOYSA-N -1 3 315.847 4.326 20 0 DIADHM CCC1CCC(N(C)C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468386859 339261240 /nfs/dbraw/zinc/26/12/40/339261240.db2.gz AQJFIZOWJBLWGJ-UHFFFAOYSA-N -1 3 321.436 4.281 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468392789 339261543 /nfs/dbraw/zinc/26/15/43/339261543.db2.gz NQGIVFXTOBIARE-CQSZACIVSA-N 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/nfs/dbraw/zinc/27/97/08/339279708.db2.gz VIDCAXMILNPNBF-QGZVFWFLSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@@H]1CCN(C(=O)Cc2ccccc2Cl)c2c([O-])cccc21 ZINC000469225401 339283547 /nfs/dbraw/zinc/28/35/47/339283547.db2.gz MQDCAUSMZVEDDY-GFCCVEGCSA-N -1 3 315.800 4.129 20 0 DIADHM Cc1ccc(Cl)c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000469256124 339284409 /nfs/dbraw/zinc/28/44/09/339284409.db2.gz VPVUDPVHODMARO-UHFFFAOYSA-N -1 3 321.779 4.455 20 0 DIADHM CCC(CC)(CC)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469273040 339284810 /nfs/dbraw/zinc/28/48/10/339284810.db2.gz ZBYIJSYGYOLGEE-UHFFFAOYSA-N -1 3 309.425 4.187 20 0 DIADHM CCc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)sc1C ZINC000469297406 339285451 /nfs/dbraw/zinc/28/54/51/339285451.db2.gz QQQVALXEGCWBOS-LLVKDONJSA-N -1 3 315.438 4.479 20 0 DIADHM CC(C)[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469370119 339287042 /nfs/dbraw/zinc/28/70/42/339287042.db2.gz WGJVOPZLSAITJO-MRXNPFEDSA-N -1 3 321.436 4.139 20 0 DIADHM CC[C@@H]1CCCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469377851 339287310 /nfs/dbraw/zinc/28/73/10/339287310.db2.gz WZEHUOZFPQXSDU-OAHLLOKOSA-N -1 3 307.409 4.035 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(C1)CCCCC2 ZINC000469427945 339288780 /nfs/dbraw/zinc/28/87/80/339288780.db2.gz KBLAQKNUULOFTN-UHFFFAOYSA-N -1 3 319.420 4.037 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2cc(C)c3ccccc3n2)n1 ZINC000469804826 339301258 /nfs/dbraw/zinc/30/12/58/339301258.db2.gz STWAEFIXFHLAAF-GFCCVEGCSA-N -1 3 311.410 4.201 20 0 DIADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])Cc1cccc(F)c1 ZINC000470559828 339322238 /nfs/dbraw/zinc/32/22/38/339322238.db2.gz RPFLFYZOSFISOD-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM Cc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c([O-])c1 ZINC000471576775 339347837 /nfs/dbraw/zinc/34/78/37/339347837.db2.gz FNFRHBSCXKVYLL-AWEZNQCLSA-N -1 3 321.376 4.260 20 0 DIADHM O=C([N-]c1cccc(F)c1F)c1ncoc1-c1ccc(F)cc1 ZINC000471766941 339353507 /nfs/dbraw/zinc/35/35/07/339353507.db2.gz FPWULIUJAPQSKW-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM [O-]c1cc(F)cc(CNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000472039261 339360083 /nfs/dbraw/zinc/36/00/83/339360083.db2.gz VYTLHFLELRHOOV-UHFFFAOYSA-N -1 3 321.342 4.369 20 0 DIADHM CCCCN(C(=O)c1csc(=O)[n-]1)[C@H](CC)c1ccccc1 ZINC000472153494 339364542 /nfs/dbraw/zinc/36/45/42/339364542.db2.gz JVZAGEFYRBAYFW-OAHLLOKOSA-N -1 3 318.442 4.242 20 0 DIADHM CC[C@@H](C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000472214650 339366124 /nfs/dbraw/zinc/36/61/24/339366124.db2.gz VDWKEEKXKDKHBR-RNCFNFMXSA-N -1 3 324.833 4.019 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000473141580 339382391 /nfs/dbraw/zinc/38/23/91/339382391.db2.gz GTSSMVURIPQVOG-UHFFFAOYSA-N -1 3 324.399 4.392 20 0 DIADHM CC(C)CCC[C@@H](C)NC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000473355075 339384384 /nfs/dbraw/zinc/38/43/84/339384384.db2.gz FRWXPXNXROVJIY-LLVKDONJSA-N -1 3 317.351 4.356 20 0 DIADHM Cc1csc(C(=O)Nc2ccc(Cl)cc2[O-])c1Cl ZINC000478871427 339523889 /nfs/dbraw/zinc/52/38/89/339523889.db2.gz ZVMXHXSHOAMWSD-UHFFFAOYSA-N -1 3 302.182 4.321 20 0 DIADHM CCc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)ccc1[O-] ZINC000485647116 339708189 /nfs/dbraw/zinc/70/81/89/339708189.db2.gz AIPVBSPCGPVZAA-SECBINFHSA-N -1 3 309.818 4.161 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CCOc1ccc2ccccc2c1 ZINC000486956802 339740083 /nfs/dbraw/zinc/74/00/83/339740083.db2.gz OBJIQYLTFOFWMV-UHFFFAOYSA-N -1 3 321.376 4.261 20 0 DIADHM CCc1cc(C(=O)Nc2cc(C)cc3cccnc32)ccc1[O-] ZINC000486972522 339740872 /nfs/dbraw/zinc/74/08/72/339740872.db2.gz UAKMJYUBPWNRNF-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000487208238 339746349 /nfs/dbraw/zinc/74/63/49/339746349.db2.gz ZRGQFJFIHFLVDG-GJZGRUSLSA-N -1 3 309.409 4.111 20 0 DIADHM O=C(c1cccc([O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000487261625 339747774 /nfs/dbraw/zinc/74/77/74/339747774.db2.gz BPMGXDJSOKUJFX-VAMGGRTRSA-N -1 3 321.420 4.191 20 0 DIADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])sc2nccc(C)c12 ZINC000490642249 339836277 /nfs/dbraw/zinc/83/62/77/339836277.db2.gz ACZFJWVCMBCIPY-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM CCCc1cc(C(=O)N2CCCc3cccc([O-])c32)sc1C ZINC000490887753 339842842 /nfs/dbraw/zinc/84/28/42/339842842.db2.gz KVTNEUQCQSREHZ-UHFFFAOYSA-N -1 3 315.438 4.308 20 0 DIADHM O=C(/C=C\SCc1ccco1)Nc1c([O-])cccc1Cl ZINC000493629715 339929925 /nfs/dbraw/zinc/92/99/25/339929925.db2.gz LXUKOVLMJRBVFB-VURMDHGXSA-N -1 3 309.774 4.024 20 0 DIADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)c2ccccc21 ZINC000494018304 339938951 /nfs/dbraw/zinc/93/89/51/339938951.db2.gz OWYUZGZBULHRLI-GFCCVEGCSA-N -1 3 309.340 4.176 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)ccc1[O-] ZINC000500108797 340050357 /nfs/dbraw/zinc/05/03/57/340050357.db2.gz VXSVCILZECBANA-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM Cc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)ccc1[O-] ZINC000500132133 340051002 /nfs/dbraw/zinc/05/10/02/340051002.db2.gz AHXCDOUTWMOGDZ-UHFFFAOYSA-N -1 3 307.393 4.173 20 0 DIADHM C[C@H]1C[C@]1(NCc1cc([O-])cc(F)c1)c1ccc(Cl)cc1 ZINC000500431000 340058480 /nfs/dbraw/zinc/05/84/80/340058480.db2.gz WKIGTMNFXHXUQX-APPDUMDISA-N -1 3 305.780 4.210 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccc(Cl)s2)c1 ZINC000500730743 340066161 /nfs/dbraw/zinc/06/61/61/340066161.db2.gz CKKFZKJCNZLLBH-UHFFFAOYSA-N -1 3 323.845 4.332 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2cc3[nH]ccc3s2)c([O-])c1 ZINC000501943412 340091190 /nfs/dbraw/zinc/09/11/90/340091190.db2.gz BXLWKFXTQJQBRX-UHFFFAOYSA-N -1 3 314.410 4.485 20 0 DIADHM Cc1cc2cc[nH]c2cc1NC(=O)c1cc([O-])ccc1Cl ZINC000504229394 340143468 /nfs/dbraw/zinc/14/34/68/340143468.db2.gz HFTVDNPSLCWMDH-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1ccc([O-])cc1F ZINC000504356213 340145787 /nfs/dbraw/zinc/14/57/87/340145787.db2.gz UTVBWVCFVKRDCF-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000505367928 340167175 /nfs/dbraw/zinc/16/71/75/340167175.db2.gz YCYNPFJCDCJTJI-DVQDXYAYSA-N -1 3 307.393 4.019 20 0 DIADHM CCCC[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000506038580 340183875 /nfs/dbraw/zinc/18/38/75/340183875.db2.gz NZOVCHHEOLLAIK-SECBINFHSA-N -1 3 305.296 4.056 20 0 DIADHM CCNc1cc(C)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000506098090 340185485 /nfs/dbraw/zinc/18/54/85/340185485.db2.gz DKRHRRDZDFGKIY-UHFFFAOYSA-N -1 3 304.777 4.038 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2cccc3ncccc32)c([O-])c1 ZINC000506226217 340189188 /nfs/dbraw/zinc/18/91/88/340189188.db2.gz ZCHZQJUGDCADBU-UHFFFAOYSA-N -1 3 320.392 4.490 20 0 DIADHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1cccs1 ZINC000506250988 340189633 /nfs/dbraw/zinc/18/96/33/340189633.db2.gz UMAMDYPAHNMRTP-NSHDSACASA-N -1 3 303.427 4.493 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1 ZINC000506242185 340189755 /nfs/dbraw/zinc/18/97/55/340189755.db2.gz ADZHWLGBHUETPV-UHFFFAOYSA-N -1 3 311.381 4.145 20 0 DIADHM COc1ccc([C@H]2CCCN2Cc2cccc([O-])c2Cl)cc1 ZINC000506806839 340202145 /nfs/dbraw/zinc/20/21/45/340202145.db2.gz PSGZZORUJLMEBD-MRXNPFEDSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000507375040 340218160 /nfs/dbraw/zinc/21/81/60/340218160.db2.gz KYIJWKZWPUYUTR-LBPRGKRZSA-N -1 3 324.346 4.307 20 0 DIADHM CCN(Cc1cccc([O-])c1Cl)[C@@H](C)c1cccc(O)c1 ZINC000507561392 340225195 /nfs/dbraw/zinc/22/51/95/340225195.db2.gz ASQKVMXVZHSHGD-LBPRGKRZSA-N -1 3 305.805 4.334 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1Cl ZINC000508251833 340241450 /nfs/dbraw/zinc/24/14/50/340241450.db2.gz YDPOLLCYUKLICN-CYBMUJFWSA-N -1 3 305.780 4.174 20 0 DIADHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cccc(Cl)c1 ZINC000508530043 340245830 /nfs/dbraw/zinc/24/58/30/340245830.db2.gz VQWOBVXKQVNYLU-JTQLQIEISA-N -1 3 324.207 4.119 20 0 DIADHM CC(C)c1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508533327 340245995 /nfs/dbraw/zinc/24/59/95/340245995.db2.gz VERBFOYNJCUQRH-UHFFFAOYSA-N -1 3 303.789 4.350 20 0 DIADHM CC(C)c1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508537208 340246157 /nfs/dbraw/zinc/24/61/57/340246157.db2.gz GXMOYERGRWXIRK-UHFFFAOYSA-N -1 3 303.789 4.350 20 0 DIADHM Cc1ccccc1[C@H](C)N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000508613118 340248164 /nfs/dbraw/zinc/24/81/64/340248164.db2.gz HXXITWSTRLCMHG-ZDUSSCGKSA-N -1 3 317.816 4.116 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1cccc2ccccc21 ZINC000508804165 340253357 /nfs/dbraw/zinc/25/33/57/340253357.db2.gz XCUBDHSZDJWVAY-UHFFFAOYSA-N -1 3 311.768 4.380 20 0 DIADHM Cc1cccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c1C ZINC000508964451 340256466 /nfs/dbraw/zinc/25/64/66/340256466.db2.gz UKWGIDNIGRJYHI-CYBMUJFWSA-N -1 3 317.816 4.082 20 0 DIADHM CN(C(=O)c1cccc([O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000509049033 340259542 /nfs/dbraw/zinc/25/95/42/340259542.db2.gz HNCKYNNGEIGSRM-UHFFFAOYSA-N -1 3 319.360 4.461 20 0 DIADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000509058790 340259967 /nfs/dbraw/zinc/25/99/67/340259967.db2.gz VRDSPDGACYMPIK-MOPGFXCFSA-N -1 3 309.409 4.191 20 0 DIADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000509112392 340261562 /nfs/dbraw/zinc/26/15/62/340261562.db2.gz POLFVFNWPSBOMM-RTBURBONSA-N -1 3 309.409 4.109 20 0 DIADHM CCOc1ccc(OCC)c(NCc2c(F)ccc([O-])c2F)c1 ZINC000509263730 340264954 /nfs/dbraw/zinc/26/49/54/340264954.db2.gz NUBDDIOOQFBQCG-UHFFFAOYSA-N -1 3 323.339 4.080 20 0 DIADHM CCCc1nc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)co1 ZINC000509268146 340264974 /nfs/dbraw/zinc/26/49/74/340264974.db2.gz FDBAGLNCENKDFM-UHFFFAOYSA-N -1 3 314.719 4.119 20 0 DIADHM Cc1cc(C)cc([C@H](C)NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000509300427 340265735 /nfs/dbraw/zinc/26/57/35/340265735.db2.gz KNSWKFDERLSJTR-ZDUSSCGKSA-N -1 3 317.816 4.082 20 0 DIADHM CCSc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000509299890 340265740 /nfs/dbraw/zinc/26/57/40/340265740.db2.gz GUFHISPIAAMHIR-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)[C@@H]1CCCC[C@H]1C ZINC000509321344 340266209 /nfs/dbraw/zinc/26/62/09/340266209.db2.gz JPOJMVOVGNSQHE-MLGOLLRUSA-N -1 3 309.837 4.015 20 0 DIADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc([O-])c1 ZINC000509346734 340266717 /nfs/dbraw/zinc/26/67/17/340266717.db2.gz WQMRWXMVAXEYNY-SNVBAGLBSA-N -1 3 324.207 4.060 20 0 DIADHM Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1[O-] ZINC000302932932 340287895 /nfs/dbraw/zinc/28/78/95/340287895.db2.gz GILNPAZOGZGACP-UHFFFAOYSA-N -1 3 315.800 4.159 20 0 DIADHM CCN(Cc1ccccc1Cl)C(=O)c1cccc(C)c1[O-] ZINC000302999491 340293854 /nfs/dbraw/zinc/29/38/54/340293854.db2.gz XWLYYSXYEQUBTK-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000303532817 340331455 /nfs/dbraw/zinc/33/14/55/340331455.db2.gz FDHYZJNYVZWEAG-NEPJUHHUSA-N -1 3 323.726 4.066 20 0 DIADHM [O-]c1ccc(Br)c(CNc2ccsc2Cl)c1 ZINC000309663035 340431323 /nfs/dbraw/zinc/43/13/23/340431323.db2.gz YXOZFAAFTFDHTO-UHFFFAOYSA-N -1 3 318.623 4.482 20 0 DIADHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2)c(C)c1C ZINC000007052514 340462141 /nfs/dbraw/zinc/46/21/41/340462141.db2.gz FIEQGXGEQMWQCI-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM CC[C@H](C)c1cc(C(=O)[N-]c2c(C)cccc2SC)on1 ZINC000184637000 340494729 /nfs/dbraw/zinc/49/47/29/340494729.db2.gz HKRCTULASUESEK-JTQLQIEISA-N -1 3 304.415 4.471 20 0 DIADHM C[C@@H]1CCN(C(=O)c2coc3ccccc23)c2c([O-])cccc21 ZINC000186259672 340510046 /nfs/dbraw/zinc/51/00/46/340510046.db2.gz KMKAMZWFVJYMMC-GFCCVEGCSA-N -1 3 307.349 4.292 20 0 DIADHM Cc1cccc(C(=O)N(CCc2ccccc2)C2CCCC2)c1[O-] ZINC000220118437 340514479 /nfs/dbraw/zinc/51/44/79/340514479.db2.gz SVLOGBKURUEXHS-UHFFFAOYSA-N -1 3 323.436 4.328 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc3c2CCC3)c2c([O-])cccc21 ZINC000192595499 340567959 /nfs/dbraw/zinc/56/79/59/340567959.db2.gz PHGFMIXWNZDEMZ-CYBMUJFWSA-N -1 3 307.393 4.035 20 0 DIADHM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1 ZINC000523942806 340644623 /nfs/dbraw/zinc/64/46/23/340644623.db2.gz GQULUFLWHXESEV-LBPRGKRZSA-N -1 3 319.788 4.068 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000235430989 340659671 /nfs/dbraw/zinc/65/96/71/340659671.db2.gz POGPZXXAXCROKE-GHMZBOCLSA-N -1 3 318.244 4.363 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OC2CCC2)cc1 ZINC000525241193 340696664 /nfs/dbraw/zinc/69/66/64/340696664.db2.gz QLGRITAHSICMSI-UHFFFAOYSA-N -1 3 317.772 4.229 20 0 DIADHM O=C(c1ccc(F)c2ccccc12)N1CCCc2cccc([O-])c21 ZINC000326099300 340712678 /nfs/dbraw/zinc/71/26/78/340712678.db2.gz WNWKBZDXBKJJQM-UHFFFAOYSA-N -1 3 321.351 4.278 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2CCc3cc(Cl)ccc32)c1F ZINC000529665875 340767069 /nfs/dbraw/zinc/76/70/69/340767069.db2.gz PFJIDKCXMFNTMG-AWEZNQCLSA-N -1 3 309.743 4.101 20 0 DIADHM CC[C@H](CCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000529798959 340769717 /nfs/dbraw/zinc/76/97/17/340769717.db2.gz JLHIPCFAOGPZIX-CQSZACIVSA-N -1 3 317.816 4.187 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)c1 ZINC000538008187 340806975 /nfs/dbraw/zinc/80/69/75/340806975.db2.gz GTTXYOZINAHSEN-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM CC[C@H](C)[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000126098811 340822514 /nfs/dbraw/zinc/82/25/14/340822514.db2.gz HPHWHEOOPZCKTF-SJCJKPOMSA-N -1 3 301.361 4.300 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2cccs2)CCCCC1 ZINC000128424202 340884851 /nfs/dbraw/zinc/88/48/51/340884851.db2.gz DCQIMYUBDQMGQO-UHFFFAOYSA-N -1 3 319.401 4.433 20 0 DIADHM CCCc1cnc([N-]C(=O)c2cc(C(CC)CC)no2)s1 ZINC000539536012 340889709 /nfs/dbraw/zinc/88/97/09/340889709.db2.gz VXEYUWHRTOYVNF-UHFFFAOYSA-N -1 3 307.419 4.240 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000128673504 340905581 /nfs/dbraw/zinc/90/55/81/340905581.db2.gz PWBHTMWPUQASSS-BDAKNGLRSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(c1ccc(-c2ccccc2)o1)N1CCCc2cccc([O-])c21 ZINC000541455996 340971072 /nfs/dbraw/zinc/97/10/72/340971072.db2.gz XYTAYFDIUHFTLA-UHFFFAOYSA-N -1 3 319.360 4.245 20 0 DIADHM Cc1cc(CCCC(=O)Nc2cccc([O-])c2F)c(C)s1 ZINC000129768068 340985948 /nfs/dbraw/zinc/98/59/48/340985948.db2.gz RCNRXPOPNSNDIP-UHFFFAOYSA-N -1 3 307.390 4.171 20 0 DIADHM 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C[C@@H](CCC1CCCCC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000606691227 1038621479 /nfs/dbraw/zinc/62/14/79/1038621479.db2.gz CIJVMOVBKZCOEP-ZDUSSCGKSA-N -1 3 322.424 4.080 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(Cl)ncc2C(F)(F)F)cc1F ZINC001213370317 1038754669 /nfs/dbraw/zinc/75/46/69/1038754669.db2.gz DOHXAYDQNHEFMR-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(CCc3ccccc3)no2)cc1F ZINC001213370849 1038766594 /nfs/dbraw/zinc/76/65/94/1038766594.db2.gz OBHACLBHEATTLI-UHFFFAOYSA-N -1 3 316.307 4.187 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)c([O-])c1 ZINC001625877446 1038925661 /nfs/dbraw/zinc/92/56/61/1038925661.db2.gz AUSBWFXZYLYUOM-GFCCVEGCSA-N -1 3 315.438 4.168 20 0 DIADHM Cc1cc(C)cc(CNCc2cccc([O-])c2Br)c1 ZINC000657626282 1038925752 /nfs/dbraw/zinc/92/57/52/1038925752.db2.gz UPKMPQNLNJZMIR-UHFFFAOYSA-N -1 3 320.230 4.061 20 0 DIADHM CSCc1cccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000609046023 1038959174 /nfs/dbraw/zinc/95/91/74/1038959174.db2.gz GQBFNKQIORFWAU-UHFFFAOYSA-N -1 3 300.358 4.005 20 0 DIADHM CCc1ccc(-c2ccc(C(=O)[N-]c3c(C)noc3C)o2)cc1 ZINC000079782958 1039195425 /nfs/dbraw/zinc/19/54/25/1039195425.db2.gz JZEGPMVFEKWUPP-UHFFFAOYSA-N -1 3 310.353 4.366 20 0 DIADHM Cc1cc(Cl)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC000708433272 1039546368 /nfs/dbraw/zinc/54/63/68/1039546368.db2.gz ABDJWOFXWIKCJE-UHFFFAOYSA-N -1 3 304.724 4.413 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OCc1cncc(OC(C)C)c1 ZINC001233593930 1039573033 /nfs/dbraw/zinc/57/30/33/1039573033.db2.gz GYXAKROKOLBWCI-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM CC1(C)CC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000541028688 1039611294 /nfs/dbraw/zinc/61/12/94/1039611294.db2.gz NJNCPOASNARSSH-VIFPVBQESA-N -1 3 301.308 4.176 20 0 DIADHM Cc1ccc(-c2ccc(CN(CC(=O)[O-])CC3CC3)s2)cc1 ZINC000650797250 1039614357 /nfs/dbraw/zinc/61/43/57/1039614357.db2.gz OZCZXXUIXCTALK-UHFFFAOYSA-N -1 3 315.438 4.020 20 0 DIADHM CCc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1[O-] ZINC000093969761 1039907239 /nfs/dbraw/zinc/90/72/39/1039907239.db2.gz OYOHGNNJLYTTFN-GOSISDBHSA-N -1 3 324.424 4.107 20 0 DIADHM [O-]c1ccc(/C=C(/Cl)c2nc3cc(F)c(F)cc3[nH]2)cc1F ZINC000255840599 1040518022 /nfs/dbraw/zinc/51/80/22/1040518022.db2.gz CIJNXQSANIMVIC-FPYGCLRLSA-N -1 3 324.689 4.423 20 0 DIADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc(Cl)cc1[O-] ZINC000613026714 1040763673 /nfs/dbraw/zinc/76/36/73/1040763673.db2.gz IDKBLQWFSBBJGJ-TZMCWYRMSA-N -1 3 315.747 4.200 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281409157 1040770935 /nfs/dbraw/zinc/77/09/35/1040770935.db2.gz OBCZCBDKCKFMPO-LBPRGKRZSA-N -1 3 316.307 4.498 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000613111024 1040789966 /nfs/dbraw/zinc/78/99/66/1040789966.db2.gz XOCLOYNQZNBQHU-CABCVRRESA-N -1 3 313.372 4.129 20 0 DIADHM CC1(c2cc(NCc3c(F)ccc([O-])c3F)no2)CCCC1 ZINC000685915878 1041150253 /nfs/dbraw/zinc/15/02/53/1041150253.db2.gz LBASFHPFMIGFRS-UHFFFAOYSA-N -1 3 308.328 4.102 20 0 DIADHM O=C(C/C=C\c1cccc(F)c1)Nc1ccc(Cl)cc1[O-] ZINC000536221524 1041390812 /nfs/dbraw/zinc/39/08/12/1041390812.db2.gz WCJVDJVYISQIMN-RQOWECAXSA-N -1 3 305.736 4.227 20 0 DIADHM CS[C@H](C)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810810647 1041444461 /nfs/dbraw/zinc/44/44/61/1041444461.db2.gz VKHAODWUKLSHRH-NKWVEPMBSA-N -1 3 303.836 4.180 20 0 DIADHM O=C(OC[C@@H]1CCCSC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810878538 1041454872 /nfs/dbraw/zinc/45/48/72/1041454872.db2.gz XOOMQPBWMKLJKD-QMMMGPOBSA-N -1 3 315.847 4.183 20 0 DIADHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1ccncc1 ZINC000811393695 1041514590 /nfs/dbraw/zinc/51/45/90/1041514590.db2.gz CQHKHPOGMBJWSS-QMMMGPOBSA-N -1 3 306.774 4.196 20 0 DIADHM O=C([N-]c1cc(Cl)cc(Cl)c1F)c1cc(C2CC2)no1 ZINC001132796613 1041516272 /nfs/dbraw/zinc/51/62/72/1041516272.db2.gz XPQRFFMBHNAZQQ-UHFFFAOYSA-N -1 3 315.131 4.250 20 0 DIADHM CC(C)(CC(=O)[N-]OC/C=C\Cl)Cc1ccc(Cl)cc1 ZINC000812408812 1041622528 /nfs/dbraw/zinc/62/25/28/1041622528.db2.gz MNQSBRLBRWDUGB-BAQGIRSFSA-N -1 3 316.228 4.099 20 0 DIADHM CC(C)c1ccc(-c2nc(CC3CC(F)(F)C3)no2)c([O-])c1 ZINC000651433159 1041670714 /nfs/dbraw/zinc/67/07/14/1041670714.db2.gz RAZXDINVHXVPRP-UHFFFAOYSA-N -1 3 308.328 4.153 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1Cl)c1ccc2ccccc2c1 ZINC000814267281 1041800099 /nfs/dbraw/zinc/80/00/99/1041800099.db2.gz ZIKXIMXUJCYCMV-UHFFFAOYSA-N -1 3 311.768 4.475 20 0 DIADHM Cc1cc(N(C)C)cc(C)c1NCc1cccc([O-])c1Cl ZINC000815134373 1041923685 /nfs/dbraw/zinc/92/36/85/1041923685.db2.gz VNSXVVKGROMAEP-UHFFFAOYSA-N -1 3 304.821 4.341 20 0 DIADHM CC(C)[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815258450 1041937173 /nfs/dbraw/zinc/93/71/73/1041937173.db2.gz HGMOADDAJXDRBD-LLVKDONJSA-N -1 3 309.278 4.174 20 0 DIADHM O=C(OC[C@H]1CCCC1(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000816388622 1042044336 /nfs/dbraw/zinc/04/43/36/1042044336.db2.gz KSNBKQCMJVVZAQ-MRVPVSSYSA-N -1 3 319.760 4.475 20 0 DIADHM COc1ccc2cc(NCc3c(F)ccc([O-])c3F)ccc2c1 ZINC000816608289 1042071561 /nfs/dbraw/zinc/07/15/61/1042071561.db2.gz VOPFGJVZKLFSEM-UHFFFAOYSA-N -1 3 315.319 4.444 20 0 DIADHM Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1F ZINC000254293275 1042081035 /nfs/dbraw/zinc/08/10/35/1042081035.db2.gz YAZBULFESSBGEH-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC001135780180 1042090388 /nfs/dbraw/zinc/09/03/88/1042090388.db2.gz UVMPJDDEBNXZKL-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cc1ccc2[nH]c(NC(=O)c3cc4sccc4c([O-])c3)nc2c1 ZINC000817018114 1042091042 /nfs/dbraw/zinc/09/10/42/1042091042.db2.gz PFIKCXLKWLBHLH-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM Cc1ccc2nc(NC(=O)c3cc4sccc4c([O-])c3)[nH]c2c1 ZINC000817018114 1042091049 /nfs/dbraw/zinc/09/10/49/1042091049.db2.gz PFIKCXLKWLBHLH-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001135794947 1042091213 /nfs/dbraw/zinc/09/12/13/1042091213.db2.gz ZCCVCGQCYMGXSD-BFHYXJOUSA-N -1 3 319.470 4.203 20 0 DIADHM [O-]c1ccc(Br)cc1C=Nc1cc(F)cc(F)c1 ZINC000254812616 1042098155 /nfs/dbraw/zinc/09/81/55/1042098155.db2.gz PCYLMNPXOODCEA-UHFFFAOYSA-N -1 3 312.113 4.184 20 0 DIADHM CCC(C)(C)C1CCC(NC(=O)c2c(C)cccc2[O-])CC1 ZINC001136150760 1042156089 /nfs/dbraw/zinc/15/60/89/1042156089.db2.gz DRKMSIQSECFGQU-UHFFFAOYSA-N -1 3 303.446 4.425 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c([O-])c1 ZINC001136152253 1042156156 /nfs/dbraw/zinc/15/61/56/1042156156.db2.gz KOFZBPDVDBUNCY-UHFFFAOYSA-N -1 3 311.425 4.350 20 0 DIADHM CC(C)c1ccc([C@H](C)CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162945128 1042161233 /nfs/dbraw/zinc/16/12/33/1042161233.db2.gz IOTCWRADBLVTDU-GFCCVEGCSA-N -1 3 317.351 4.304 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2c(F)cccc2Cl)c([O-])c1 ZINC001136178125 1042165140 /nfs/dbraw/zinc/16/51/40/1042165140.db2.gz MRZAMTVPABBVLH-UHFFFAOYSA-N -1 3 321.779 4.238 20 0 DIADHM CCc1ccc(C(=O)NCc2c(Cl)cccc2Cl)c([O-])c1 ZINC001136183539 1042165798 /nfs/dbraw/zinc/16/57/98/1042165798.db2.gz IVPQFVLPKQJRPH-UHFFFAOYSA-N -1 3 324.207 4.191 20 0 DIADHM CCCCCC[C@@H](CC)CN(C)C(=O)c1c([O-])cccc1OC ZINC001167823371 1042205449 /nfs/dbraw/zinc/20/54/49/1042205449.db2.gz MOJTXMLSKGNELJ-OAHLLOKOSA-N -1 3 321.461 4.469 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(CC1CCCCC1)C1CC1 ZINC001136331608 1042214666 /nfs/dbraw/zinc/21/46/66/1042214666.db2.gz FIOWUHMEQKUYGV-UHFFFAOYSA-N -1 3 307.821 4.231 20 0 DIADHM O=C(/C=C/c1ccc(Cl)cc1)Nc1c([O-])cccc1Cl ZINC000820509945 1042218397 /nfs/dbraw/zinc/21/83/97/1042218397.db2.gz KLIMMQDKLCCGFP-RMKNXTFCSA-N -1 3 308.164 4.351 20 0 DIADHM O=C(/C=C\c1ccccc1Cl)Nc1c([O-])cccc1Cl ZINC000820509914 1042218703 /nfs/dbraw/zinc/21/87/03/1042218703.db2.gz JYMDCIFVOLRJGU-HJWRWDBZSA-N -1 3 308.164 4.351 20 0 DIADHM O=C(/C=C/Sc1ccccc1)Nc1c([O-])cccc1Cl ZINC000820510070 1042218980 /nfs/dbraw/zinc/21/89/80/1042218980.db2.gz LOSCZJYLFOKLTL-MDZDMXLPSA-N -1 3 305.786 4.290 20 0 DIADHM CCC(CC)c1nnc(NC(=O)c2ccc(C)c(C)c2[O-])s1 ZINC001136358744 1042222090 /nfs/dbraw/zinc/22/20/90/1042222090.db2.gz BVFNCDMFFZBSFG-UHFFFAOYSA-N -1 3 319.430 4.016 20 0 DIADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC001136388029 1042230940 /nfs/dbraw/zinc/23/09/40/1042230940.db2.gz GQRQZJCZESQBBT-GOSISDBHSA-N -1 3 323.436 4.110 20 0 DIADHM Cc1ccc(-c2nc([C@H]3CCc4ccccc4C3)no2)c([O-])c1 ZINC000322022256 1042236134 /nfs/dbraw/zinc/23/61/34/1042236134.db2.gz KOXOUJXLLUWHEF-HNNXBMFYSA-N -1 3 306.365 4.023 20 0 DIADHM Cc1ccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)c([O-])c1 ZINC000322022258 1042236563 /nfs/dbraw/zinc/23/65/63/1042236563.db2.gz KOXOUJXLLUWHEF-OAHLLOKOSA-N -1 3 306.365 4.023 20 0 DIADHM CCOc1c(Cl)cccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001136410400 1042239370 /nfs/dbraw/zinc/23/93/70/1042239370.db2.gz XFSQQAWRJHFLFU-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM Cc1cc([C@H](C)NC(=O)c2cc3sccc3c([O-])c2)c(C)o1 ZINC001136471061 1042258830 /nfs/dbraw/zinc/25/88/30/1042258830.db2.gz HHHXXHDCRNWSSJ-JTQLQIEISA-N -1 3 315.394 4.308 20 0 DIADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1O ZINC001211703924 1042313124 /nfs/dbraw/zinc/31/31/24/1042313124.db2.gz ZEQQXHKDKIQFNL-UHFFFAOYSA-N -1 3 312.138 4.051 20 0 DIADHM CCc1cccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c1[O-] ZINC001136736807 1042331351 /nfs/dbraw/zinc/33/13/51/1042331351.db2.gz PSWOLXMPURRUGI-SFHVURJKSA-N -1 3 311.425 4.390 20 0 DIADHM [O-]c1cccc(Nc2ccc(CC(F)(F)F)nc2)c1Cl ZINC001213918866 1042335235 /nfs/dbraw/zinc/33/52/35/1042335235.db2.gz UEJMTRLXMYLKAE-UHFFFAOYSA-N -1 3 302.683 4.289 20 0 DIADHM CC(C)[C@@H](NCc1ncccc1[O-])c1ccc(Cl)cc1F ZINC000575590937 1042414444 /nfs/dbraw/zinc/41/44/44/1042414444.db2.gz XRHZGPAEDQYZDQ-MRXNPFEDSA-N -1 3 308.784 4.067 20 0 DIADHM Cc1c2ccccc2oc1CNCc1cccc([O-])c1Cl ZINC000645155800 1042446301 /nfs/dbraw/zinc/44/63/01/1042446301.db2.gz ICOXOYVDZTYQGI-UHFFFAOYSA-N -1 3 301.773 4.390 20 0 DIADHM CCOc1cc(F)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001211807734 1042456461 /nfs/dbraw/zinc/45/64/61/1042456461.db2.gz QLKZRCAINAGBRW-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000026562042 1042568460 /nfs/dbraw/zinc/56/84/60/1042568460.db2.gz ZGBKYYLSHOYNOO-UHFFFAOYSA-N -1 3 315.851 4.409 20 0 DIADHM COCCC1(c2noc(-c3ccc(C(C)C)cc3[O-])n2)CCC1 ZINC000420515294 1042604977 /nfs/dbraw/zinc/60/49/77/1042604977.db2.gz QXRRPBRYRAYQDK-UHFFFAOYSA-N -1 3 316.401 4.024 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c(C)c1 ZINC000515078257 1042807986 /nfs/dbraw/zinc/80/79/86/1042807986.db2.gz GWANYUSBRWXYEP-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(F)cc2F)c([O-])c1 ZINC000436665034 1042842250 /nfs/dbraw/zinc/84/22/50/1042842250.db2.gz NFFYYJGCILFGPI-UHFFFAOYSA-N -1 3 319.351 4.066 20 0 DIADHM CC[C@@H](NCc1c([O-])ccc(Cl)c1F)c1nc(C)cs1 ZINC000190970321 1042854421 /nfs/dbraw/zinc/85/44/21/1042854421.db2.gz VNJZYTJAMGZGRI-LLVKDONJSA-N -1 3 314.813 4.191 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)C1CCC(C(F)(F)F)CC1 ZINC000516936205 1042860980 /nfs/dbraw/zinc/86/09/80/1042860980.db2.gz AUQTVPLHSZFKGI-UHFFFAOYSA-N -1 3 321.726 4.353 20 0 DIADHM Cc1cc(C)cc(OCCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000519036216 1042930953 /nfs/dbraw/zinc/93/09/53/1042930953.db2.gz OCORNDCODNBQDI-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM Cc1ccc(C)c(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000440979304 1043015037 /nfs/dbraw/zinc/01/50/37/1043015037.db2.gz DWISMKHMBILDSC-UHFFFAOYSA-N -1 3 323.314 4.209 20 0 DIADHM Cc1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)sc1C ZINC000440993875 1043015493 /nfs/dbraw/zinc/01/54/93/1043015493.db2.gz WSVKXRXCLDRRTB-UHFFFAOYSA-N -1 3 315.316 4.342 20 0 DIADHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189744786 1043166252 /nfs/dbraw/zinc/16/62/52/1043166252.db2.gz PIEOXAHODWKXHD-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM O=C([O-])CCCCN1CCc2sccc2[C@@H]1c1cccs1 ZINC000181541244 1043204910 /nfs/dbraw/zinc/20/49/10/1043204910.db2.gz XPWDJWXHINAFEJ-MRXNPFEDSA-N -1 3 321.467 4.012 20 0 DIADHM CCCc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1 ZINC000007220835 1043301726 /nfs/dbraw/zinc/30/17/26/1043301726.db2.gz IJKKJZVXXWSHCM-UHFFFAOYSA-N -1 3 323.392 4.372 20 0 DIADHM C[C@@H](NCc1ccccc1C(F)(F)F)c1cccc([O-])c1F ZINC000872027355 1043423630 /nfs/dbraw/zinc/42/36/30/1043423630.db2.gz DBXHSGFUORJVGV-SNVBAGLBSA-N -1 3 313.294 4.401 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc3cc(C)c(C)cc3o2)c1[O-] ZINC000558062745 1043428636 /nfs/dbraw/zinc/42/86/36/1043428636.db2.gz ACAAAKKEKCVYBP-UHFFFAOYSA-N -1 3 323.348 4.210 20 0 DIADHM CSc1ccc(F)cc1CN[C@H](C)c1cccc([O-])c1F ZINC000872040415 1043431383 /nfs/dbraw/zinc/43/13/83/1043431383.db2.gz LLWXSQXHOWJJNB-SNVBAGLBSA-N -1 3 309.381 4.243 20 0 DIADHM C[C@@H](NCc1ccccc1OC1CCC1)c1cccc([O-])c1F ZINC000872044855 1043432850 /nfs/dbraw/zinc/43/28/50/1043432850.db2.gz GILDZEMOUHPXKN-CYBMUJFWSA-N -1 3 315.388 4.313 20 0 DIADHM COc1ccc(CN[C@H](C)c2cccc([O-])c2F)cc1Cl ZINC000872047699 1043435256 /nfs/dbraw/zinc/43/52/56/1043435256.db2.gz CVZVOBDWAJTVAJ-SNVBAGLBSA-N -1 3 309.768 4.044 20 0 DIADHM Cc1nc2c(s1)[C@H](N[C@@H](C)c1cccc([O-])c1F)CCC2 ZINC000872060088 1043443888 /nfs/dbraw/zinc/44/38/88/1043443888.db2.gz LUGOLWDDJMZQLZ-JOYOIKCWSA-N -1 3 306.406 4.024 20 0 DIADHM Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872064325 1043445613 /nfs/dbraw/zinc/44/56/13/1043445613.db2.gz XVNXTIXPISRMCU-VXGBXAGGSA-N -1 3 319.424 4.203 20 0 DIADHM COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000872066106 1043445796 /nfs/dbraw/zinc/44/57/96/1043445796.db2.gz DYOXBELFESGAFN-XHDPSFHLSA-N -1 3 323.795 4.223 20 0 DIADHM C[C@@H](NCc1ccc(C(F)(F)F)s1)c1cccc([O-])c1F ZINC000872106383 1043460843 /nfs/dbraw/zinc/46/08/43/1043460843.db2.gz FYNQHFBWIZDKDZ-MRVPVSSYSA-N -1 3 319.323 4.462 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)oc1C ZINC000521800405 1043480727 /nfs/dbraw/zinc/48/07/27/1043480727.db2.gz IVLRVKDJDVKRCH-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CCCCc1nnc([N-]C(=O)c2sccc2C(F)F)s1 ZINC000874135386 1043571458 /nfs/dbraw/zinc/57/14/58/1043571458.db2.gz WSMFSABPAGTKEA-UHFFFAOYSA-N -1 3 317.386 4.132 20 0 DIADHM [O-]c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br ZINC000261367413 1043756127 /nfs/dbraw/zinc/75/61/27/1043756127.db2.gz RJPJBPSOXDNUTN-UHFFFAOYSA-N -1 3 323.577 4.351 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000928787201 1043774354 /nfs/dbraw/zinc/77/43/54/1043774354.db2.gz IMOCCWWSWDXUCT-UHFFFAOYSA-N -1 3 302.305 4.244 20 0 DIADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1cc(C)ccc1C ZINC000878215614 1043859807 /nfs/dbraw/zinc/85/98/07/1043859807.db2.gz ZLCPEVJGWRTXBD-UHFFFAOYSA-N -1 3 323.396 4.086 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000014255310 1043916907 /nfs/dbraw/zinc/91/69/07/1043916907.db2.gz VTPKNHYBINZBGL-UHFFFAOYSA-N -1 3 317.454 4.303 20 0 DIADHM CCc1ccc(C(=O)N(CC)[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC001141913616 1044004178 /nfs/dbraw/zinc/00/41/78/1044004178.db2.gz PGDFOTJCDNHTEP-CYBMUJFWSA-N -1 3 315.388 4.317 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1sccc1SC(F)F ZINC000128412808 1044040759 /nfs/dbraw/zinc/04/07/59/1044040759.db2.gz YKNAADDHPFNOAJ-UHFFFAOYSA-N -1 3 319.329 4.160 20 0 DIADHM CCc1cccc(C(=O)N(C)C/C(C)=C\c2ccccc2)c1[O-] ZINC000562372502 1044106174 /nfs/dbraw/zinc/10/61/74/1044106174.db2.gz BHAPDRMJIZXPCH-SQFISAMPSA-N -1 3 309.409 4.130 20 0 DIADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281469504 1044138745 /nfs/dbraw/zinc/13/87/45/1044138745.db2.gz BJTWGFAWMOUJFK-UHFFFAOYSA-N -1 3 318.398 4.095 20 0 DIADHM C/C(=C/c1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000129623598 1044166864 /nfs/dbraw/zinc/16/68/64/1044166864.db2.gz JUEWKPFXEAJYRU-KTKRTIGZSA-N -1 3 305.736 4.227 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1nc(C)oc1C ZINC000293002369 1044238420 /nfs/dbraw/zinc/23/84/20/1044238420.db2.gz GGZWMZAKTWCRLA-UHFFFAOYSA-N -1 3 310.806 4.309 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCOc3c(F)cccc32)c1Cl ZINC000293318704 1044271658 /nfs/dbraw/zinc/27/16/58/1044271658.db2.gz QVCSCYFUJVJRMJ-AWEZNQCLSA-N -1 3 321.779 4.188 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCOc3ccccc32)c1Cl ZINC000293545718 1044299606 /nfs/dbraw/zinc/29/96/06/1044299606.db2.gz KPLVAUDOFQGNMH-AWEZNQCLSA-N -1 3 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BGUNEAXNECFOON-IINYFYTJSA-N -1 3 315.816 4.219 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)c1[O-] ZINC001138084955 1046087504 /nfs/dbraw/zinc/08/75/04/1046087504.db2.gz PCMHBNUSCHPTAI-IFXJQAMLSA-N -1 3 323.436 4.398 20 0 DIADHM C[C@H](CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl)C(C)(C)C ZINC000634697142 1046087489 /nfs/dbraw/zinc/08/74/89/1046087489.db2.gz BGUNEAXNECFOON-QMTHXVAHSA-N -1 3 315.816 4.219 20 0 DIADHM CCc1cccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c1[O-] ZINC001138230152 1046123014 /nfs/dbraw/zinc/12/30/14/1046123014.db2.gz HPJIOBOCEKUGMC-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM O=C(Nc1ccc(Nc2ccccc2)cc1)c1c([O-])cccc1O ZINC000756766595 1046130240 /nfs/dbraw/zinc/13/02/40/1046130240.db2.gz RYMDCKUUDDVJQG-UHFFFAOYSA-N -1 3 320.348 4.094 20 0 DIADHM Cc1cc(C(=O)/C=C/c2cnc(-c3ccccn3)s2)ccc1[O-] ZINC000084503119 1046142253 /nfs/dbraw/zinc/14/22/53/1046142253.db2.gz MVCPCCQGOBQYGX-SOFGYWHQSA-N -1 3 322.389 4.115 20 0 DIADHM CN(Cc1sc2ccccc2c1Cl)Cc1ncccc1[O-] ZINC001138394555 1046164159 /nfs/dbraw/zinc/16/41/59/1046164159.db2.gz WCKALUANXIIXHE-UHFFFAOYSA-N -1 3 318.829 4.287 20 0 DIADHM CN(Cc1cccc(Oc2ccccc2)c1)Cc1ncccc1[O-] ZINC001138395593 1046164933 /nfs/dbraw/zinc/16/49/33/1046164933.db2.gz IJCUQTSWQCAOGP-UHFFFAOYSA-N -1 3 320.392 4.212 20 0 DIADHM COc1c(Cl)cccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000903245274 1046207889 /nfs/dbraw/zinc/20/78/89/1046207889.db2.gz CYZSBYPGSPIOLW-JTQLQIEISA-N -1 3 309.768 4.044 20 0 DIADHM [O-]c1cc(Nc2ccc(Br)cc2F)c(F)cc1F ZINC001212870797 1046239644 /nfs/dbraw/zinc/23/96/44/1046239644.db2.gz NOCXJGDEPWXCQW-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263113146 1046242924 /nfs/dbraw/zinc/24/29/24/1046242924.db2.gz BVNWUFZDVHVXNY-OUAUKWLOSA-N -1 3 316.228 4.097 20 0 DIADHM CN(CCC1(C(=O)[O-])CCC1)Cc1cccc(Cl)c1Cl ZINC000903692816 1046303338 /nfs/dbraw/zinc/30/33/38/1046303338.db2.gz CQEMVROOQIQOBM-UHFFFAOYSA-N -1 3 316.228 4.070 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1sccc1SC(F)F ZINC000089398846 1046279988 /nfs/dbraw/zinc/27/99/88/1046279988.db2.gz LHYQBKVIYUVSCD-UHFFFAOYSA-N -1 3 318.370 4.174 20 0 DIADHM COc1ccc(C(=O)[O-])cc1CN1CCC(CCC(C)C)CC1 ZINC000903599001 1046291436 /nfs/dbraw/zinc/29/14/36/1046291436.db2.gz YZHPGAIWFMCTQG-UHFFFAOYSA-N -1 3 319.445 4.042 20 0 DIADHM CC(C)Cc1ncc(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000903648656 1046297774 /nfs/dbraw/zinc/29/77/74/1046297774.db2.gz JOFWUXYVRIREIR-UHFFFAOYSA-N -1 3 314.332 4.011 20 0 DIADHM Cn1cc(Nc2cccc([O-])c2Br)c2ccccc21 ZINC001203428054 1046353219 /nfs/dbraw/zinc/35/32/19/1046353219.db2.gz LIKAXSLEUJSMQK-UHFFFAOYSA-N -1 3 317.186 4.390 20 0 DIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227830860 1046397853 /nfs/dbraw/zinc/39/78/53/1046397853.db2.gz XHXSQMUDDQBSBP-BONVTDFDSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@H](Cc1ccccc1)Oc1cccc([O-])c1Br ZINC001229139825 1046452378 /nfs/dbraw/zinc/45/23/78/1046452378.db2.gz NARCNYOIMZJIGF-LLVKDONJSA-N -1 3 307.187 4.165 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(Cl)c1F ZINC000677212396 1046474353 /nfs/dbraw/zinc/47/43/53/1046474353.db2.gz NGFUHYDVSZAYNN-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212872 1046475002 /nfs/dbraw/zinc/47/50/02/1046475002.db2.gz VUTOSLMINSBEHC-NSHDSACASA-N -1 3 311.809 4.112 20 0 DIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1nc2ccccc2o1 ZINC000781831559 1046480450 /nfs/dbraw/zinc/48/04/50/1046480450.db2.gz GADCUBNTVOEHHU-VIFPVBQESA-N -1 3 312.350 4.289 20 0 DIADHM CCC1CCC(N(C(=O)c2ccc(C)cc2[O-])C2CC2)CC1 ZINC000642044245 1046546649 /nfs/dbraw/zinc/54/66/49/1046546649.db2.gz SNCYAXOHZPDVFD-UHFFFAOYSA-N -1 3 301.430 4.274 20 0 DIADHM CC(C)[C@H](CNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001140151662 1046601654 /nfs/dbraw/zinc/60/16/54/1046601654.db2.gz JLYWBKDBGAMZJC-INIZCTEOSA-N -1 3 317.816 4.215 20 0 DIADHM COc1ccc(Oc2ccc(C=Cc3nccc(=O)[n-]3)cc2)cc1 ZINC000783711298 1046626695 /nfs/dbraw/zinc/62/66/95/1046626695.db2.gz WVRADWGYGWEUKI-NYYWCZLTSA-N -1 3 320.348 4.154 20 0 DIADHM COc1ccc(Nc2c(F)cc([O-])cc2F)cc1OC(C)C ZINC001203019644 1046637387 /nfs/dbraw/zinc/63/73/87/1046637387.db2.gz FNJYCTGRHLZBOJ-UHFFFAOYSA-N -1 3 309.312 4.210 20 0 DIADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1OC(C)C ZINC001203019979 1046639851 /nfs/dbraw/zinc/63/98/51/1046639851.db2.gz BYZJFQAMFMDFGI-UHFFFAOYSA-N -1 3 309.312 4.210 20 0 DIADHM COc1ccc([C@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533158638 1046660166 /nfs/dbraw/zinc/66/01/66/1046660166.db2.gz KCXCCUCLYCQKOM-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159710 1046660916 /nfs/dbraw/zinc/66/09/16/1046660916.db2.gz RRYSKSIHJOPFLN-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccc(Cl)cc1 ZINC001140497137 1046754712 /nfs/dbraw/zinc/75/47/12/1046754712.db2.gz GLLQCZPHLWGHOJ-UHFFFAOYSA-N -1 3 320.820 4.005 20 0 DIADHM CN(Cc1cc(Cl)cc(Cl)c1)Cc1ccccc1C(=O)[O-] ZINC001140509524 1046759218 /nfs/dbraw/zinc/75/92/18/1046759218.db2.gz MPUGPFFARVYHPI-UHFFFAOYSA-N -1 3 324.207 4.324 20 0 DIADHM CC(C)(NCc1cccc([O-])c1Cl)c1ccc(F)c(F)c1 ZINC000645161039 1046773639 /nfs/dbraw/zinc/77/36/39/1046773639.db2.gz DURFXTUASZBLSM-UHFFFAOYSA-N -1 3 311.759 4.349 20 0 DIADHM CSc1ccc(F)cc1CNCc1cccc([O-])c1Cl ZINC000645159764 1046773837 /nfs/dbraw/zinc/77/38/37/1046773837.db2.gz MQYDUWXSAANMPX-UHFFFAOYSA-N -1 3 311.809 4.196 20 0 DIADHM [O-]c1ccc(Nc2nc3ccccc3nc2Cl)c(F)c1F ZINC001212000016 1046795558 /nfs/dbraw/zinc/79/55/58/1046795558.db2.gz HSRARDMQFBRAFS-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM COc1cc(/C=C\C(=O)c2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000096018717 1046811376 /nfs/dbraw/zinc/81/13/76/1046811376.db2.gz QNYLTLBHYOHIOU-DJWKRKHSSA-N -1 3 324.710 4.229 20 0 DIADHM COc1cc(Nc2ccc([O-])c(F)c2F)c(OC)cc1Cl ZINC001212007433 1046811632 /nfs/dbraw/zinc/81/16/32/1046811632.db2.gz DNVJEUKEHDBJFY-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM [O-]c1ccc(Nc2c(F)cccc2Br)c(F)c1F ZINC001212007602 1046815610 /nfs/dbraw/zinc/81/56/10/1046815610.db2.gz PYTAJUIKXZFZCP-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CCOc1ccc(Nc2ccc([O-])c(F)c2F)cc1OCC ZINC001212011009 1046818926 /nfs/dbraw/zinc/81/89/26/1046818926.db2.gz MDQNUIDRNZAZDE-UHFFFAOYSA-N -1 3 309.312 4.211 20 0 DIADHM Cc1cn(-c2ccc(Nc3ccc([O-])c(F)c3F)cc2F)cn1 ZINC001212014056 1046820610 /nfs/dbraw/zinc/82/06/10/1046820610.db2.gz XGWWBJNCXVIPPK-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCCc2sccc21 ZINC000646148092 1046868861 /nfs/dbraw/zinc/86/88/61/1046868861.db2.gz FIQRGDIIKNAIOC-UHFFFAOYSA-N -1 3 307.802 4.090 20 0 DIADHM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cccc([O-])c1Cl ZINC000646156440 1046868982 /nfs/dbraw/zinc/86/89/82/1046868982.db2.gz UQLYVOSSLURSIU-GXSJLCMTSA-N -1 3 307.743 4.208 20 0 DIADHM COc1cc(C(=O)/C=C/c2c(F)cccc2Cl)ccc1[O-] ZINC000008322717 1046880287 /nfs/dbraw/zinc/88/02/87/1046880287.db2.gz ATBAESFVZPWOGV-SOFGYWHQSA-N -1 3 306.720 4.089 20 0 DIADHM [O-]c1cccc2sc(Nc3cc(Cl)nc(Cl)c3)nc21 ZINC001212087699 1046933806 /nfs/dbraw/zinc/93/38/06/1046933806.db2.gz NRHRTKTUTVZVPM-UHFFFAOYSA-N -1 3 312.181 4.447 20 0 DIADHM [O-]c1ccc(CN2CC[C@H](c3ccccc3Cl)C2)c(F)c1F ZINC001140892878 1046943611 /nfs/dbraw/zinc/94/36/11/1046943611.db2.gz CEXXTLAOLUTWND-NSHDSACASA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1ccc(CN2CCC(c3cccs3)CC2)c(F)c1F ZINC001140893864 1046943995 /nfs/dbraw/zinc/94/39/95/1046943995.db2.gz JJJWKHAPRGZFPM-UHFFFAOYSA-N -1 3 309.381 4.112 20 0 DIADHM CN(C(=O)c1cc2sccc2c([O-])c1)c1ccc(F)cc1 ZINC000798281008 1046944661 /nfs/dbraw/zinc/94/46/61/1046944661.db2.gz CTYWSECRMHWPCZ-UHFFFAOYSA-N -1 3 301.342 4.023 20 0 DIADHM [O-]c1ccc(CN2CCC(c3ccc(F)cc3)CC2)c(F)c1F ZINC001140894060 1046946996 /nfs/dbraw/zinc/94/69/96/1046946996.db2.gz PIWLRGZREHUPHK-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1F ZINC001140990701 1046969711 /nfs/dbraw/zinc/96/97/11/1046969711.db2.gz NNHHGSFSRZHTJF-ZDUSSCGKSA-N -1 3 323.770 4.313 20 0 DIADHM CN(Cc1ccc2ccccc2c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140992237 1046972700 /nfs/dbraw/zinc/97/27/00/1046972700.db2.gz UQONIEXANMNPOT-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM COc1c(OC(=O)c2cc3occc3[n-]2)ccc2ccccc21 ZINC001141017501 1046978422 /nfs/dbraw/zinc/97/84/22/1046978422.db2.gz NDFATVYSXHANAF-UHFFFAOYSA-N -1 3 307.305 4.142 20 0 DIADHM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000263499392 1046993291 /nfs/dbraw/zinc/99/32/91/1046993291.db2.gz KKUPTJNZZBWEMV-UHFFFAOYSA-N -1 3 323.845 4.364 20 0 DIADHM CCc1cccc(C(=O)N2CCC(CCC(C)C)CC2)c1[O-] ZINC001137424447 1047044822 /nfs/dbraw/zinc/04/48/22/1047044822.db2.gz RGCNPHAJFIZRGZ-UHFFFAOYSA-N -1 3 303.446 4.243 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1C(F)(F)F ZINC000799891996 1047067119 /nfs/dbraw/zinc/06/71/19/1047067119.db2.gz KVKHRLPXBCRPAW-MVQNEBOGSA-N -1 3 306.287 4.318 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000536690790 1047071915 /nfs/dbraw/zinc/07/19/15/1047071915.db2.gz BPHLJSXHGPEHLP-ZDUSSCGKSA-N -1 3 313.422 4.232 20 0 DIADHM C=Cc1ccc(CCNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001141305958 1047082228 /nfs/dbraw/zinc/08/22/28/1047082228.db2.gz XZXMSSKJCPOACU-UHFFFAOYSA-N -1 3 323.417 4.222 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2sccc2C(C)C)c1[O-] ZINC000648903818 1047097274 /nfs/dbraw/zinc/09/72/74/1047097274.db2.gz AFNMCGCRDWHSEK-UHFFFAOYSA-N -1 3 303.383 4.032 20 0 DIADHM CC(=O)CCCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000837736584 1047103743 /nfs/dbraw/zinc/10/37/43/1047103743.db2.gz KEADUSJPODPPPC-UHFFFAOYSA-N -1 3 313.806 4.189 20 0 DIADHM Cc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1Cl ZINC001141469660 1047144115 /nfs/dbraw/zinc/14/41/15/1047144115.db2.gz YMRGGMBPGPEBSL-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM Cc1cccc2c1CCC[C@@H]2NCc1c(F)ccc([O-])c1F ZINC000827746465 1047152253 /nfs/dbraw/zinc/15/22/53/1047152253.db2.gz OOJJTKCQPNBCLD-INIZCTEOSA-N -1 3 303.352 4.146 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001141518933 1047157787 /nfs/dbraw/zinc/15/77/87/1047157787.db2.gz VEGVHYYMHCCHMS-RYUDHWBXSA-N -1 3 317.351 4.293 20 0 DIADHM CC(C)n1ncc2c1[C@@H]([N-]c1nc(-c3ccccc3)no1)CCC2 ZINC001116624120 1047163724 /nfs/dbraw/zinc/16/37/24/1047163724.db2.gz DUHNGLGALJPHSK-HNNXBMFYSA-N -1 3 323.400 4.004 20 0 DIADHM CC(C)c1ocnc1COC(=O)c1cc2sccc2c([O-])c1 ZINC001116836616 1047182122 /nfs/dbraw/zinc/18/21/22/1047182122.db2.gz GQNSHYUVIPXJES-UHFFFAOYSA-N -1 3 317.366 4.075 20 0 DIADHM CC(C)CCSCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476153602 1047244356 /nfs/dbraw/zinc/24/43/56/1047244356.db2.gz LVAGCXGTSRHVEB-UHFFFAOYSA-N -1 3 321.364 4.129 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)s2)c1[O-] ZINC001141649698 1047247338 /nfs/dbraw/zinc/24/73/38/1047247338.db2.gz RGGMDYYVVCIMMW-UHFFFAOYSA-N -1 3 317.410 4.206 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC001141649556 1047247515 /nfs/dbraw/zinc/24/75/15/1047247515.db2.gz QISNCGGGMQTXLM-RRFJBIMHSA-N -1 3 315.413 4.140 20 0 DIADHM CC(C)c1nc(CNCCC2(CC(=O)[O-])CCCCC2)cs1 ZINC001118026803 1047256129 /nfs/dbraw/zinc/25/61/29/1047256129.db2.gz JVVKVPORQYCUPN-UHFFFAOYSA-N -1 3 324.490 4.171 20 0 DIADHM Cc1cccc([C@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000476182199 1047256279 /nfs/dbraw/zinc/25/62/79/1047256279.db2.gz ZWQVLDVBKBSDLY-NSHDSACASA-N -1 3 323.314 4.462 20 0 DIADHM CC(C)Oc1ccc([C@H](C)NCc2cc(C(=O)[O-])cs2)cc1 ZINC000388055145 1047284755 /nfs/dbraw/zinc/28/47/55/1047284755.db2.gz OMSMORZDEDBMJJ-LBPRGKRZSA-N -1 3 319.426 4.084 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1c(C)occ1C(F)(F)F ZINC001119254305 1047324992 /nfs/dbraw/zinc/32/49/92/1047324992.db2.gz GVHOJJZAFADJPJ-UHFFFAOYSA-N -1 3 314.263 4.033 20 0 DIADHM CCC1CCC(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC001142016305 1047344727 /nfs/dbraw/zinc/34/47/27/1047344727.db2.gz DKIMWPQIECAWMJ-UHFFFAOYSA-N -1 3 303.446 4.462 20 0 DIADHM CCCN(CC1CCCCC1)C(=O)c1cccc(CC)c1[O-] ZINC001142094666 1047375967 /nfs/dbraw/zinc/37/59/67/1047375967.db2.gz LEXZLMCTGQZLRH-UHFFFAOYSA-N -1 3 303.446 4.387 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC001142114267 1047383965 /nfs/dbraw/zinc/38/39/65/1047383965.db2.gz DKFZCSHZMVGFHP-MRXNPFEDSA-N -1 3 323.223 4.431 20 0 DIADHM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001142215285 1047398641 /nfs/dbraw/zinc/39/86/41/1047398641.db2.gz RUPPUNKLVXIXPO-RDJZCZTQSA-N -1 3 309.409 4.102 20 0 DIADHM CCO[C@@H](c1noc(-c2cc3ccccc3cc2[O-])n1)C(C)C ZINC000322810038 1047431267 /nfs/dbraw/zinc/43/12/67/1047431267.db2.gz YGGDJAMZEPQMSN-MRXNPFEDSA-N -1 3 312.369 4.329 20 0 DIADHM Cc1cccc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1[O-] ZINC000749816823 1047437881 /nfs/dbraw/zinc/43/78/81/1047437881.db2.gz VDOKRWYWAVNDGP-UHFFFAOYSA-N -1 3 309.409 4.201 20 0 DIADHM Cc1cc(F)c(CNCCCCCCCC(=O)[O-])c(Cl)c1 ZINC000841795175 1047455635 /nfs/dbraw/zinc/45/56/35/1047455635.db2.gz NGYXXKUQOSDYRI-UHFFFAOYSA-N -1 3 315.816 4.302 20 0 DIADHM CCN(Cc1cccs1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142662794 1047476374 /nfs/dbraw/zinc/47/63/74/1047476374.db2.gz BDGVVUREYQFFFE-UHFFFAOYSA-N -1 3 309.818 4.122 20 0 DIADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001149224529 1047557562 /nfs/dbraw/zinc/55/75/62/1047557562.db2.gz RFJGEQYNARSIET-GFCCVEGCSA-N -1 3 323.417 4.366 20 0 DIADHM O=C(Nc1cccc2ccncc21)c1cc2sccc2c([O-])c1 ZINC001149821441 1047570617 /nfs/dbraw/zinc/57/06/17/1047570617.db2.gz WSFIVVKCBOEUJE-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2CCc3ccc(Cl)cc32)c1[O-] ZINC001149971819 1047572608 /nfs/dbraw/zinc/57/26/08/1047572608.db2.gz IYDOLEFJULQCJU-MRXNPFEDSA-N -1 3 315.800 4.025 20 0 DIADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001150216183 1047574633 /nfs/dbraw/zinc/57/46/33/1047574633.db2.gz LTCYETZTILHYFI-HZPDHXFCSA-N -1 3 323.436 4.190 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c([O-])c1 ZINC001151309084 1047594515 /nfs/dbraw/zinc/59/45/15/1047594515.db2.gz VZYLQPGZYGTYCX-INIZCTEOSA-N -1 3 315.800 4.025 20 0 DIADHM Cc1ccc(NC2CC2)c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001151754277 1047601493 /nfs/dbraw/zinc/60/14/93/1047601493.db2.gz VKONSQPCCNGZPV-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1[O-] ZINC001151953381 1047604259 /nfs/dbraw/zinc/60/42/59/1047604259.db2.gz HEDSLDBWKZFOEW-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM CCCCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001151926380 1047604559 /nfs/dbraw/zinc/60/45/59/1047604559.db2.gz NWFLUDQHNZDWSJ-UHFFFAOYSA-N -1 3 303.324 4.224 20 0 DIADHM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001153462450 1047624818 /nfs/dbraw/zinc/62/48/18/1047624818.db2.gz XEBVRRKITAAOQM-GFCCVEGCSA-N -1 3 303.789 4.486 20 0 DIADHM CC(C)(C)c1cc(C(=O)Nc2cc(F)ccc2[O-])cc(Cl)n1 ZINC001153468773 1047624880 /nfs/dbraw/zinc/62/48/80/1047624880.db2.gz VOICEMJMAXSSBE-UHFFFAOYSA-N -1 3 322.767 4.130 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1csc2c1CCCC2 ZINC001153461834 1047625121 /nfs/dbraw/zinc/62/51/21/1047625121.db2.gz RUTITKOBZLVGMS-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(Cl)cc1[O-] ZINC001153460098 1047625303 /nfs/dbraw/zinc/62/53/03/1047625303.db2.gz AJQGVNIGVQOATR-UHFFFAOYSA-N -1 3 315.800 4.106 20 0 DIADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1c([O-])ccc2ccccc21 ZINC001153510210 1047627108 /nfs/dbraw/zinc/62/71/08/1047627108.db2.gz MDZYQBXTVBPZNG-LBPRGKRZSA-N -1 3 319.351 4.101 20 0 DIADHM Cc1cccc2c(C(=O)Nc3cc([O-])cc(Cl)c3)ccnc12 ZINC001154035870 1047638029 /nfs/dbraw/zinc/63/80/29/1047638029.db2.gz JKIPDXGYWZJAEY-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c1[O-] ZINC001154727220 1047655997 /nfs/dbraw/zinc/65/59/97/1047655997.db2.gz LEHNPBQSHWPXJF-KSSFIOAISA-N -1 3 309.409 4.178 20 0 DIADHM CC[C@H](CN(CC)C(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC001154791895 1047656519 /nfs/dbraw/zinc/65/65/19/1047656519.db2.gz GHPVDPLKMAKINI-MRXNPFEDSA-N -1 3 311.425 4.357 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000538746905 1047707711 /nfs/dbraw/zinc/70/77/11/1047707711.db2.gz MJJRLFBLWIKYPZ-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM Cc1ccc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])n2)cc1 ZINC001156532972 1047716358 /nfs/dbraw/zinc/71/63/58/1047716358.db2.gz DVDICHKVWOUSRF-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CCc1ccc([C@@H]2CCCN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001157184569 1047736974 /nfs/dbraw/zinc/73/69/74/1047736974.db2.gz BLGHUQDSWKSKEG-GOSISDBHSA-N -1 3 323.436 4.283 20 0 DIADHM CCC[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001158340481 1047776540 /nfs/dbraw/zinc/77/65/40/1047776540.db2.gz YKLLMPDBCNTBEJ-GOSISDBHSA-N -1 3 323.436 4.388 20 0 DIADHM CC(C)(C)c1ccc(CCCCC(=O)[N-]OC2CCC2)cc1 ZINC001158448488 1047780294 /nfs/dbraw/zinc/78/02/94/1047780294.db2.gz XBSALBNTMGLPLB-UHFFFAOYSA-N -1 3 303.446 4.297 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000552780683 1047794186 /nfs/dbraw/zinc/79/41/86/1047794186.db2.gz LCGBHGFVAFLKDL-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM CC(C)C1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001159070167 1047810350 /nfs/dbraw/zinc/81/03/50/1047810350.db2.gz GUIXUUQJHGLLAG-UHFFFAOYSA-N -1 3 311.381 4.103 20 0 DIADHM OCc1cccc(Cl)c1[N-]c1nc2cc(Cl)ccc2o1 ZINC001159104734 1047812222 /nfs/dbraw/zinc/81/22/22/1047812222.db2.gz HWEWGQJPMYRUFJ-UHFFFAOYSA-N -1 3 309.152 4.371 20 0 DIADHM Nc1ccc2cc(Nc3nc4c(cccc4[O-])s3)ccc2c1 ZINC001159114001 1047813771 /nfs/dbraw/zinc/81/37/71/1047813771.db2.gz ZJPLWIGYOIXHNY-UHFFFAOYSA-N -1 3 307.378 4.481 20 0 DIADHM CCCCOc1ccc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC001182785053 1047844287 /nfs/dbraw/zinc/84/42/87/1047844287.db2.gz BHTNPGWXYHIYCO-KBPBESRZSA-N -1 3 319.445 4.126 20 0 DIADHM CCCCOc1ccc(C(=O)NC2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC001182785054 1047845244 /nfs/dbraw/zinc/84/52/44/1047845244.db2.gz BHTNPGWXYHIYCO-ZIAGYGMSSA-N -1 3 319.445 4.126 20 0 DIADHM CCCCOc1ccc(C(=O)NCC2(CCC)CCC2)c([O-])c1 ZINC001182997920 1047872962 /nfs/dbraw/zinc/87/29/62/1047872962.db2.gz YDFCIYUNQFCWLL-UHFFFAOYSA-N -1 3 319.445 4.271 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c([O-])c1 ZINC001159593077 1047875318 /nfs/dbraw/zinc/87/53/18/1047875318.db2.gz FSEQZXXVBXMXPZ-ZDUSSCGKSA-N -1 3 309.409 4.323 20 0 DIADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)[N-]OCC(C)C ZINC001183058084 1047887238 /nfs/dbraw/zinc/88/72/38/1047887238.db2.gz PDRNXCBVKVTFLG-UHFFFAOYSA-N -1 3 321.461 4.155 20 0 DIADHM CCCCOc1ccc(C(=O)N2CC[C@H](C)C(C)(C)C2)c([O-])c1 ZINC001183154432 1047895112 /nfs/dbraw/zinc/89/51/12/1047895112.db2.gz USYDJNACZHJVMW-AWEZNQCLSA-N -1 3 319.445 4.079 20 0 DIADHM Cc1ccc(F)c2[nH]c(C(=O)Nc3c([O-])cccc3Cl)cc21 ZINC001159658447 1047896170 /nfs/dbraw/zinc/89/61/70/1047896170.db2.gz SVHKFKSSCKUWCH-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC001197987099 1047916847 /nfs/dbraw/zinc/91/68/47/1047916847.db2.gz QKIVQRFJDYIWPI-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM CCO[C@H](C)n1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001174698978 1047944522 /nfs/dbraw/zinc/94/45/22/1047944522.db2.gz NAFIFTAZEMZJEQ-MRVPVSSYSA-N -1 3 316.188 4.194 20 0 DIADHM COc1ccc(C(F)(F)F)cc1Nc1c(F)cc([O-])cc1F ZINC001174779044 1047969785 /nfs/dbraw/zinc/96/97/85/1047969785.db2.gz SRYJMQZHKRKHKZ-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)c1[O-] ZINC001160321317 1048031724 /nfs/dbraw/zinc/03/17/24/1048031724.db2.gz OXFOQHBGGHRECU-SFHVURJKSA-N -1 3 301.386 4.060 20 0 DIADHM CCc1c2ccccc2oc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321119 1048032203 /nfs/dbraw/zinc/03/22/03/1048032203.db2.gz IDPVJGPMHINXDU-UHFFFAOYSA-N -1 3 323.348 4.156 20 0 DIADHM CCOc1ccc(F)c([N-]c2nc3c(s2)C(=O)CCC3)c1F ZINC001175040185 1048103824 /nfs/dbraw/zinc/10/38/24/1048103824.db2.gz ILDYAAMESNIVFZ-UHFFFAOYSA-N -1 3 324.352 4.083 20 0 DIADHM Cc1ccc(Nc2cccnc2N2CCCC2)c(Cl)c1[O-] ZINC001184968542 1048107061 /nfs/dbraw/zinc/10/70/61/1048107061.db2.gz PFPWSEZHEKYXKR-UHFFFAOYSA-N -1 3 303.793 4.093 20 0 DIADHM COc1cc(Nc2c(F)cc([O-])cc2F)c(Cl)c(OC)c1 ZINC001175099508 1048114382 /nfs/dbraw/zinc/11/43/82/1048114382.db2.gz KIYGINUPVBDRTK-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM [O-]c1cc(F)c(Nc2ccccc2N2CCCCC2)c(F)c1 ZINC001175100303 1048115609 /nfs/dbraw/zinc/11/56/09/1048115609.db2.gz PDMWINNHQXFOSG-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM COc1cc(OC)c(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175100214 1048115766 /nfs/dbraw/zinc/11/57/66/1048115766.db2.gz JXRQNTGIIQXZCK-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM [O-]c1cc(F)c(Nc2c(F)cccc2N2CCCC2)c(F)c1 ZINC001175103653 1048119930 /nfs/dbraw/zinc/11/99/30/1048119930.db2.gz UXNXCWQOBOMXQV-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(Br)c2F)c(F)c1 ZINC001175096860 1048142356 /nfs/dbraw/zinc/14/23/56/1048142356.db2.gz KOVLTQYPEHNNQB-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CNc1ccc(C(F)(F)F)cc1Nc1c(F)cc([O-])cc1F ZINC001175098191 1048142721 /nfs/dbraw/zinc/14/27/21/1048142721.db2.gz ZYZOTZYIHNXYGM-UHFFFAOYSA-N -1 3 318.245 4.475 20 0 DIADHM COc1c(Nc2c(F)cc([O-])cc2F)cccc1C(F)(F)F ZINC001175097034 1048143220 /nfs/dbraw/zinc/14/32/20/1048143220.db2.gz LKYKKHTYFRBPGZ-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1ccc(F)c(NC(=O)Nc2nc3c(cccc3[O-])s2)c1 ZINC001185219750 1048147559 /nfs/dbraw/zinc/14/75/59/1048147559.db2.gz KZGSSUKHKBXMCE-UHFFFAOYSA-N -1 3 317.345 4.093 20 0 DIADHM C[C@H]1CCC[C@@H](OCCCCCC(=O)[N-]OC2CCCC2)C1 ZINC000774870803 1048173934 /nfs/dbraw/zinc/17/39/34/1048173934.db2.gz ZMGPKVMDWXRWMJ-DOTOQJQBSA-N -1 3 311.466 4.133 20 0 DIADHM CCc1cc2c(nc(C)nc2NCc2ccc([O-])c(F)c2)s1 ZINC001185477244 1048184985 /nfs/dbraw/zinc/18/49/85/1048184985.db2.gz FFDPNTJWUHGFFS-UHFFFAOYSA-N -1 3 317.389 4.019 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cccc(O[C@H]2CCCCO2)c1 ZINC001175182544 1048186935 /nfs/dbraw/zinc/18/69/35/1048186935.db2.gz IEXFYGLTLUYXJU-HNNXBMFYSA-N -1 3 320.776 4.090 20 0 DIADHM CC(=O)c1ccc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001175230468 1048207755 /nfs/dbraw/zinc/20/77/55/1048207755.db2.gz DFUGQYAFHKCLSI-UHFFFAOYSA-N -1 3 302.330 4.087 20 0 DIADHM Cc1cc(Cl)nc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175262330 1048244100 /nfs/dbraw/zinc/24/41/00/1048244100.db2.gz DCOBFOLMERKEHX-UHFFFAOYSA-N -1 3 305.111 4.424 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Br)cc2F)c1F ZINC001175264186 1048244833 /nfs/dbraw/zinc/24/48/33/1048244833.db2.gz BSGMMVVYEGVSBJ-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(-c3ccc(F)c(F)c3)no2)c1F ZINC001175262006 1048244978 /nfs/dbraw/zinc/24/49/78/1048244978.db2.gz XBRMIYHKHHQENZ-UHFFFAOYSA-N -1 3 324.233 4.347 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccccc2N2CCCCC2)c1F ZINC001175265286 1048245557 /nfs/dbraw/zinc/24/55/57/1048245557.db2.gz KOFRXQIHOQZDRG-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM Cc1cc(Br)cc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268744 1048245758 /nfs/dbraw/zinc/24/57/58/1048245758.db2.gz SDJDGPYTEFGDSI-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1cnn(-c2ccccc2C)c1Nc1c(F)ccc([O-])c1F ZINC001175266747 1048245979 /nfs/dbraw/zinc/24/59/79/1048245979.db2.gz ZAWQVTLKXNIGIA-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM COc1cc(Nc2c(F)ccc([O-])c2F)c(Cl)c(OC)c1 ZINC001175268822 1048246628 /nfs/dbraw/zinc/24/66/28/1048246628.db2.gz XTGYFRUWXPIVQF-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(F)ccc2OCC(F)F)c1F ZINC001175268794 1048247380 /nfs/dbraw/zinc/24/73/80/1048247380.db2.gz WJNWLIYBLAYLSO-UHFFFAOYSA-N -1 3 319.229 4.197 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc3nsnc3cc2Cl)c1F ZINC001175269511 1048248804 /nfs/dbraw/zinc/24/88/04/1048248804.db2.gz GTBLMMYLVZWCSQ-UHFFFAOYSA-N -1 3 313.716 4.072 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(OC(F)(F)F)ccc2O)c1F ZINC001175270303 1048248952 /nfs/dbraw/zinc/24/89/52/1048248952.db2.gz WYINRQPMXNXHOE-UHFFFAOYSA-N -1 3 321.201 4.018 20 0 DIADHM Cc1cccc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c12 ZINC001175433020 1048304529 /nfs/dbraw/zinc/30/45/29/1048304529.db2.gz WFAONEHPFFMIOQ-UHFFFAOYSA-N -1 3 301.353 4.072 20 0 DIADHM Fc1cc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1Cl ZINC001175430026 1048304655 /nfs/dbraw/zinc/30/46/55/1048304655.db2.gz AVPIKMUFEUFUDW-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM Cc1cc2ccccc2cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431531 1048305085 /nfs/dbraw/zinc/30/50/85/1048305085.db2.gz HPBRFMGRPLCKHO-UHFFFAOYSA-N -1 3 301.353 4.072 20 0 DIADHM CC(C)Sc1ccccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430772 1048305138 /nfs/dbraw/zinc/30/51/38/1048305138.db2.gz XWXUANUCUROBIK-UHFFFAOYSA-N -1 3 311.414 4.111 20 0 DIADHM Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC001175432631 1048305154 /nfs/dbraw/zinc/30/51/54/1048305154.db2.gz KDAULTQROFUESY-UHFFFAOYSA-N -1 3 301.353 4.072 20 0 DIADHM Cc1ccc2c(cccc2Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175431950 1048305462 /nfs/dbraw/zinc/30/54/62/1048305462.db2.gz CFKVDHCIXSVZBN-UHFFFAOYSA-N -1 3 301.353 4.072 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnn2C2CCC2)CC)n1 ZINC000899371691 1048317794 /nfs/dbraw/zinc/31/77/94/1048317794.db2.gz JJAWXCDTEUYKKF-ACCUITESSA-N -1 3 312.417 4.007 20 0 DIADHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cc([O-])ccc1Cl ZINC001175485776 1048324753 /nfs/dbraw/zinc/32/47/53/1048324753.db2.gz ZUTWNENSUGGHMM-QGZVFWFLSA-N -1 3 307.821 4.231 20 0 DIADHM CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001175547544 1048335354 /nfs/dbraw/zinc/33/53/54/1048335354.db2.gz ITHHYEJVECXOTI-UHFFFAOYSA-N -1 3 319.336 4.017 20 0 DIADHM CCc1csc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC001162781609 1048359012 /nfs/dbraw/zinc/35/90/12/1048359012.db2.gz ISSZXYXPWDMFEH-LLVKDONJSA-N -1 3 318.442 4.026 20 0 DIADHM CCc1csc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC001162781610 1048359698 /nfs/dbraw/zinc/35/96/98/1048359698.db2.gz ISSZXYXPWDMFEH-NSHDSACASA-N -1 3 318.442 4.026 20 0 DIADHM CCN(C(=O)c1cccc(C)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001162800794 1048360506 /nfs/dbraw/zinc/36/05/06/1048360506.db2.gz MKIGTSNSGNTIJC-UHFFFAOYSA-N -1 3 323.314 4.386 20 0 DIADHM CCc1ccc(CN(CC(C)C)C(=O)c2ccccc2[O-])cc1 ZINC001162915988 1048388223 /nfs/dbraw/zinc/38/82/23/1048388223.db2.gz YKLNBAJXVSCLFJ-UHFFFAOYSA-N -1 3 311.425 4.253 20 0 DIADHM O=C(Nc1cc2ccccc2cc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934223 1048398245 /nfs/dbraw/zinc/39/82/45/1048398245.db2.gz SNEADFCMTQZWJJ-DLBZAZTESA-N -1 3 318.376 4.223 20 0 DIADHM Cc1ccc(NC(=O)Nc2c(F)cccc2F)c(Cl)c1[O-] ZINC001202043009 1048442480 /nfs/dbraw/zinc/44/24/80/1048442480.db2.gz GETOEWXCMFLHAI-UHFFFAOYSA-N -1 3 312.703 4.276 20 0 DIADHM Cc1ccc(NC(=O)Nc2nc3c(cccc3[O-])s2)cc1F ZINC001187949676 1048453942 /nfs/dbraw/zinc/45/39/42/1048453942.db2.gz ADQHREUUBJSDAB-UHFFFAOYSA-N -1 3 317.345 4.093 20 0 DIADHM Cc1ccc(NC(=O)[N-]c2cc(-c3ccco3)no2)cc1F ZINC001187956156 1048455866 /nfs/dbraw/zinc/45/58/66/1048455866.db2.gz JHZNQSVTSDEJBH-UHFFFAOYSA-N -1 3 301.277 4.026 20 0 DIADHM CC(=O)c1ccsc1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188167294 1048482256 /nfs/dbraw/zinc/48/22/56/1048482256.db2.gz LKLJAKYLQITMCC-UHFFFAOYSA-N -1 3 317.410 4.340 20 0 DIADHM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1c1ccccc1 ZINC001142657223 1048498910 /nfs/dbraw/zinc/49/89/10/1048498910.db2.gz RBJPZSQFVBFHOJ-QGZVFWFLSA-N -1 3 315.800 4.375 20 0 DIADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1cccc(Cl)c1 ZINC001202239641 1048500451 /nfs/dbraw/zinc/50/04/51/1048500451.db2.gz LAPKMUSFUDBZFJ-UHFFFAOYSA-N -1 3 314.732 4.034 20 0 DIADHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1[O-] ZINC001202296222 1048513786 /nfs/dbraw/zinc/51/37/86/1048513786.db2.gz DRLSMRVMXZNKIS-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CCCc1nc2ccc(NC(=O)c3c(C)cccc3[O-])cc2o1 ZINC001188649147 1048534129 /nfs/dbraw/zinc/53/41/29/1048534129.db2.gz SIJGIXJEVUAOLX-UHFFFAOYSA-N -1 3 310.353 4.047 20 0 DIADHM COc1ccc(Nc2cc([O-])c(F)cc2F)c(C(F)(F)F)c1 ZINC001213049624 1048569408 /nfs/dbraw/zinc/56/94/08/1048569408.db2.gz ATFLYPLNKMMYJV-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3ccc([O-])c(F)c3F)c2n1 ZINC001176115488 1048572465 /nfs/dbraw/zinc/57/24/65/1048572465.db2.gz KADKOTPTRRJCIM-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3cc(F)c(F)cc3[O-])c2n1 ZINC001176117318 1048573775 /nfs/dbraw/zinc/57/37/75/1048573775.db2.gz PTJPPKUOTDGVIM-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3c(F)cc([O-])cc3F)c2n1 ZINC001176119236 1048574013 /nfs/dbraw/zinc/57/40/13/1048574013.db2.gz PQHBBZJTLSZXRV-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1cc(Cl)ccc1Cl ZINC001188997844 1048578965 /nfs/dbraw/zinc/57/89/65/1048578965.db2.gz ZGKVTHIEJQNTNZ-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2cccc(Cl)c2Cl)n1 ZINC001189194508 1048598954 /nfs/dbraw/zinc/59/89/54/1048598954.db2.gz MAFAVAVSJKUCIW-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM O=c1[n-]c(NCCSCc2ccco2)c(Cl)cc1Cl ZINC001164216315 1048608401 /nfs/dbraw/zinc/60/84/01/1048608401.db2.gz YLVVRCSTEFZEDE-UHFFFAOYSA-N -1 3 319.213 4.032 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cccc(-c3ccsc3)c2)n1 ZINC001189362807 1048623658 /nfs/dbraw/zinc/62/36/58/1048623658.db2.gz TXEINKFNEAJHKR-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC(C)(C)c1ccccc1NC(=O)Nc1ccc([O-])c(F)c1 ZINC001189590537 1048643276 /nfs/dbraw/zinc/64/32/76/1048643276.db2.gz DVOZWMUSIOYRBE-UHFFFAOYSA-N -1 3 302.349 4.473 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccc(Oc2ccccc2)nc1 ZINC001176373853 1048665401 /nfs/dbraw/zinc/66/54/01/1048665401.db2.gz FBDBCXUNKMSQCJ-UHFFFAOYSA-N -1 3 313.744 4.372 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(F)cc(N3CCCC3)c2)c(F)c1 ZINC001176419519 1048683508 /nfs/dbraw/zinc/68/35/08/1048683508.db2.gz FKCFPALLEQKJBX-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM CC(C)(C)c1nnc([N-]c2cccc(OC(F)(F)F)c2)o1 ZINC001176535811 1048710217 /nfs/dbraw/zinc/71/02/17/1048710217.db2.gz PIZJPUSZRXTTFK-UHFFFAOYSA-N -1 3 301.268 4.009 20 0 DIADHM CC(C)(F)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001165727771 1048710900 /nfs/dbraw/zinc/71/09/00/1048710900.db2.gz HOCZFDHKUWOCLU-UHFFFAOYSA-N -1 3 317.360 4.053 20 0 DIADHM CC(C)(C)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccn1 ZINC001176584667 1048716343 /nfs/dbraw/zinc/71/63/43/1048716343.db2.gz PBVBGYCOIVPWPZ-UHFFFAOYSA-N -1 3 310.397 4.239 20 0 DIADHM CSc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190500413 1048742901 /nfs/dbraw/zinc/74/29/01/1048742901.db2.gz NKIQZQWEDBHKOA-UHFFFAOYSA-N -1 3 319.451 4.087 20 0 DIADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H](C)C2 ZINC001166712839 1048785440 /nfs/dbraw/zinc/78/54/40/1048785440.db2.gz QBIPBTWTUXLYCC-VLIAUNLRSA-N -1 3 323.436 4.487 20 0 DIADHM COc1cccc(C(=O)Nc2ccc3c(c2)C=CCCC3)c1[O-] ZINC001166974613 1048820643 /nfs/dbraw/zinc/82/06/43/1048820643.db2.gz SCFDSXQXWNCGTN-UHFFFAOYSA-N -1 3 309.365 4.003 20 0 DIADHM O=C(c1cccc(Nc2cc([O-])c(F)cc2F)c1)C(F)(F)F ZINC001203345204 1048878833 /nfs/dbraw/zinc/87/88/33/1048878833.db2.gz RZZRFAHHOAMMFW-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM CC[C@@H](CO[N-]C(=O)Cc1cccc2ccccc21)CC(F)F ZINC000853669175 1048913103 /nfs/dbraw/zinc/91/31/03/1048913103.db2.gz LECPFFKFRUNGAB-CYBMUJFWSA-N -1 3 321.367 4.112 20 0 DIADHM Cc1ccc(Cl)c(NC(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001191672435 1048974201 /nfs/dbraw/zinc/97/42/01/1048974201.db2.gz CRJDKDMZASPIRS-UHFFFAOYSA-N -1 3 319.670 4.299 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cc(C)ccc1Cl ZINC001191708198 1048983170 /nfs/dbraw/zinc/98/31/70/1048983170.db2.gz RTHSODOSYXWKHE-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001178133042 1048994277 /nfs/dbraw/zinc/99/42/77/1048994277.db2.gz NCEARCBYYAAKJW-VXGBXAGGSA-N -1 3 303.427 4.115 20 0 DIADHM C[C@H]1CC[C@H](NC(=O)Nc2c([O-])cccc2C(F)(F)F)CC1 ZINC001191824017 1049009390 /nfs/dbraw/zinc/00/93/90/1049009390.db2.gz FLZLUUOKUKIUDC-MGCOHNPYSA-N -1 3 316.323 4.111 20 0 DIADHM O=C(Nc1ccc2sccc2c1)Nc1ncc([O-])cc1Cl ZINC001192430367 1049095583 /nfs/dbraw/zinc/09/55/83/1049095583.db2.gz DRGPLOPAFAFFOD-UHFFFAOYSA-N -1 3 319.773 4.299 20 0 DIADHM Cc1cc(F)cc(C(=O)Nc2cc([O-])cc(Cl)c2)c1Cl ZINC001193311653 1049196237 /nfs/dbraw/zinc/19/62/37/1049196237.db2.gz QQZYYPZNABLMBO-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM Cc1csc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1 ZINC001193735570 1049249732 /nfs/dbraw/zinc/24/97/32/1049249732.db2.gz QQTMYKNLFXRSCM-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM CCC1(NC(=O)c2ccc([O-])cc2C(F)(F)F)CCCCC1 ZINC001193757948 1049260025 /nfs/dbraw/zinc/26/00/25/1049260025.db2.gz IHMHXEWVNMDKAU-UHFFFAOYSA-N -1 3 315.335 4.254 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)ccc1Cl ZINC000485506611 1049267417 /nfs/dbraw/zinc/26/74/17/1049267417.db2.gz RSKZWRHCDWFDAH-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1ccc2ccccc2c1NC(=O)c1c(C)cc(O)cc1[O-] ZINC001193912057 1049280409 /nfs/dbraw/zinc/28/04/09/1049280409.db2.gz OVHYDVMHDJEYSY-UHFFFAOYSA-N -1 3 307.349 4.120 20 0 DIADHM COc1ccc(-c2ccc(=S)[n-]n2)c(OCc2ccccc2)c1 ZINC001204841959 1049281855 /nfs/dbraw/zinc/28/18/55/1049281855.db2.gz KBUHKWISFVWGBU-UHFFFAOYSA-N -1 3 324.405 4.020 20 0 DIADHM [O-]c1ccc(CN(CCc2ccc(F)cc2)C2CC2)c(F)c1F ZINC001180297217 1049338659 /nfs/dbraw/zinc/33/86/59/1049338659.db2.gz SOWDQWJYVJXZPG-UHFFFAOYSA-N -1 3 321.342 4.017 20 0 DIADHM [O-]c1ccc(-c2ncc3cc(F)ccc3n2)c(C(F)(F)F)c1 ZINC001205073665 1049362157 /nfs/dbraw/zinc/36/21/57/1049362157.db2.gz XMZXXUUPIOLZKF-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM Cc1cc([O-])c(NC(=O)OCC(C)(C)C)cc1Br ZINC001194385406 1049365957 /nfs/dbraw/zinc/36/59/57/1049365957.db2.gz NULGULRPCOZIFC-UHFFFAOYSA-N -1 3 316.195 4.058 20 0 DIADHM CC(C)c1nc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccn21 ZINC000485977911 1049372019 /nfs/dbraw/zinc/37/20/19/1049372019.db2.gz NUVAYNZFJMCOQF-HJWRWDBZSA-N -1 3 320.396 4.001 20 0 DIADHM CC(C)Cc1coc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001180596559 1049389069 /nfs/dbraw/zinc/38/90/69/1049389069.db2.gz RUPUQCDBLOGDHV-UHFFFAOYSA-N -1 3 316.382 4.046 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c(C)cc1C ZINC001194644349 1049403374 /nfs/dbraw/zinc/40/33/74/1049403374.db2.gz RBOJSCFDTWNMLT-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1cccc2c1N(Cc1cccc([O-])c1Br)CC2 ZINC001180759155 1049403408 /nfs/dbraw/zinc/40/34/08/1049403408.db2.gz PUDGESMPXDWEKT-UHFFFAOYSA-N -1 3 318.214 4.026 20 0 DIADHM C[C@H](NC(=O)Nc1cc2ccccc2cc1[O-])c1ccccc1 ZINC001202506179 1049476602 /nfs/dbraw/zinc/47/66/02/1049476602.db2.gz NQKDLFUVXPOFBQ-ZDUSSCGKSA-N -1 3 306.365 4.428 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2-c2nccs2)c1 ZINC001181506951 1049486679 /nfs/dbraw/zinc/48/66/79/1049486679.db2.gz QFDJUFIQAPWQRD-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2CCc3ccc(Cl)cc32)c1F ZINC000862539391 1049499953 /nfs/dbraw/zinc/49/99/53/1049499953.db2.gz NTVDFYPCKIMCLJ-AWEZNQCLSA-N -1 3 309.743 4.101 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccsc2C(=O)[O-])cc1F ZINC001205614771 1049511811 /nfs/dbraw/zinc/51/18/11/1049511811.db2.gz QBQSJXZPJGUEAN-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM O=C([N-]c1cnoc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC001195388018 1049525687 /nfs/dbraw/zinc/52/56/87/1049525687.db2.gz DBESLPSRQQRMLM-UHFFFAOYSA-N -1 3 323.135 4.494 20 0 DIADHM Cc1ccc(OCc2ccccc2)cc1-c1ccc(=S)[n-]n1 ZINC001205762048 1049556400 /nfs/dbraw/zinc/55/64/00/1049556400.db2.gz HSWJEWJCJHVJAI-UHFFFAOYSA-N -1 3 308.406 4.320 20 0 DIADHM O=C([N-]c1noc2cccnc12)c1sccc1-c1ccccc1 ZINC001195707657 1049559833 /nfs/dbraw/zinc/55/98/33/1049559833.db2.gz DBKMIYMYCQWBGF-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM CCc1ccc([C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)cc1 ZINC001182071908 1049568023 /nfs/dbraw/zinc/56/80/23/1049568023.db2.gz KPFNZIGNHPIEIN-OAHLLOKOSA-N -1 3 317.379 4.222 20 0 DIADHM C[C@]12CCCC[C@H]1CN2C(=O)c1cc2sccc2c([O-])c1 ZINC000863589501 1049573872 /nfs/dbraw/zinc/57/38/72/1049573872.db2.gz PXZIYLDWEHZKEV-SJCJKPOMSA-N -1 3 301.411 4.012 20 0 DIADHM CSc1ccc(F)cc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001205962781 1049613295 /nfs/dbraw/zinc/61/32/95/1049613295.db2.gz OXPVKMYUJCJQKI-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM Cc1cc(F)ccc1NC(=S)Nc1c([O-])cccc1Cl ZINC001196122739 1049623284 /nfs/dbraw/zinc/62/32/84/1049623284.db2.gz PEFGMRMBNQURHZ-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2ccc([O-])cc2F)c1 ZINC001206030052 1049634580 /nfs/dbraw/zinc/63/45/80/1049634580.db2.gz MSDYWZOKROAEIQ-UHFFFAOYSA-N -1 3 323.327 4.237 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)cnc1-c1ccc([O-])cc1F ZINC001206036992 1049635633 /nfs/dbraw/zinc/63/56/33/1049635633.db2.gz ANXWLJVHDOVLSH-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM [O-]c1ccc(-c2nc(-c3cccnc3)nc3ccccc32)c(F)c1 ZINC001206036965 1049636078 /nfs/dbraw/zinc/63/60/78/1049636078.db2.gz AKAICQCQKZWDOT-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccn3)nc3ccccc32)c(F)c1 ZINC001206037313 1049636160 /nfs/dbraw/zinc/63/61/60/1049636160.db2.gz FLYZVEUVDBSODV-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)nc(-c2ccc([O-])cc2F)c1 ZINC001206038048 1049636289 /nfs/dbraw/zinc/63/62/89/1049636289.db2.gz QVYHDDUCAJKEQS-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM CCc1nc2sc3c(c2c(-c2ccc([O-])cc2F)n1)CCC3 ZINC001206037481 1049636403 /nfs/dbraw/zinc/63/64/03/1049636403.db2.gz JDLZTTMOBLRCDE-UHFFFAOYSA-N -1 3 314.385 4.254 20 0 DIADHM Cc1ccc(-c2nc3c(ncnc3-c3ccc([O-])cc3F)o2)cc1 ZINC001206044232 1049639021 /nfs/dbraw/zinc/63/90/21/1049639021.db2.gz GBIIALNQKRGPIN-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CSc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C)c1 ZINC001206078516 1049649324 /nfs/dbraw/zinc/64/93/24/1049649324.db2.gz RJIMPEAVROPANY-UHFFFAOYSA-N -1 3 316.373 4.481 20 0 DIADHM Cc1cccc(NC(=S)Nc2ccc([O-])c(Cl)c2)c1C ZINC001196418225 1049655829 /nfs/dbraw/zinc/65/58/29/1049655829.db2.gz URHPMORMQASWMZ-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM Cc1cc(OC(C)C)ccc1C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001196771499 1049690157 /nfs/dbraw/zinc/69/01/57/1049690157.db2.gz URLGQNLXGBQYLO-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(C3CCCCC3)CC2)c1F ZINC001206568188 1049756899 /nfs/dbraw/zinc/75/68/99/1049756899.db2.gz JTIDICZMEGWTFY-UHFFFAOYSA-N -1 3 309.400 4.463 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccn1C1CCCC1 ZINC000489593736 1049770286 /nfs/dbraw/zinc/77/02/86/1049770286.db2.gz CUOJWFSARAHOHS-UHFFFAOYSA-N -1 3 304.777 4.215 20 0 DIADHM [O-]c1ccc(F)c(CN[C@@H]2CCc3sc(Cl)cc32)c1F 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20 0 DIADHM COC(=O)c1ccc(C)c(Nc2cccc(Cl)c2[O-])c1C ZINC001210222990 1050165733 /nfs/dbraw/zinc/16/57/33/1050165733.db2.gz GGHIZXFJEPFORL-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM Cc1cn(-c2ccc(Nc3cccc(Cl)c3[O-])cc2F)cn1 ZINC001210223863 1050165992 /nfs/dbraw/zinc/16/59/92/1050165992.db2.gz ZGZNVXITJMKRNB-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM COC(=O)[C@@H](C)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223352 1050166331 /nfs/dbraw/zinc/16/63/31/1050166331.db2.gz PFODNJKJOTUPLK-JTQLQIEISA-N -1 3 305.761 4.066 20 0 DIADHM [O-]c1cccc2sc(Nc3cccnc3C(F)(F)F)nc21 ZINC001210233191 1050172638 /nfs/dbraw/zinc/17/26/38/1050172638.db2.gz SDZNQIBTOABOFA-UHFFFAOYSA-N -1 3 311.288 4.159 20 0 DIADHM Cc1ccc(Nc2ccc(OC(F)F)nc2)c(Cl)c1[O-] ZINC001210303772 1050198167 /nfs/dbraw/zinc/19/81/67/1050198167.db2.gz QLBDNRISDAMBLK-UHFFFAOYSA-N -1 3 300.692 4.094 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)c([O-])c1C ZINC001136869375 1050206845 /nfs/dbraw/zinc/20/68/45/1050206845.db2.gz LGKASRUQFLHWJP-UHFFFAOYSA-N -1 3 311.381 4.050 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1csc(C2CCCCC2)n1 ZINC000573574926 1050216105 /nfs/dbraw/zinc/21/61/05/1050216105.db2.gz XRGFIFYAKIRXSJ-UHFFFAOYSA-N -1 3 320.389 4.288 20 0 DIADHM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000591819886 1050221027 /nfs/dbraw/zinc/22/10/27/1050221027.db2.gz LKDOHCDHOMPKGM-LLVKDONJSA-N -1 3 324.273 4.096 20 0 DIADHM CC(=O)c1ccc([C@H](C)Nc2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001171059193 1050223238 /nfs/dbraw/zinc/22/32/38/1050223238.db2.gz GRDZYPNINZGEEP-NSHDSACASA-N -1 3 310.422 4.358 20 0 DIADHM C[C@H]1C[C@H](C)N(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001136943235 1050249867 /nfs/dbraw/zinc/24/98/67/1050249867.db2.gz ZKYWPGNGXOXYNI-HOTGVXAUSA-N -1 3 323.436 4.048 20 0 DIADHM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136943237 1050250992 /nfs/dbraw/zinc/25/09/92/1050250992.db2.gz ZKYWPGNGXOXYNI-JKSUJKDBSA-N -1 3 323.436 4.048 20 0 DIADHM COCOc1ccc(Nc2ccc(C)c([O-])c2Cl)c(C)c1 ZINC001210493300 1050267716 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/nfs/dbraw/zinc/80/92/76/1051809276.db2.gz CLAANDQSGJWXKR-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM COc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001173804173 1051810310 /nfs/dbraw/zinc/81/03/10/1051810310.db2.gz DNIZEFGYKLKMNP-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM COc1ccc(Cl)c(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216536892 1051811004 /nfs/dbraw/zinc/81/10/04/1051811004.db2.gz SEWMAZMBBPGMME-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001216536573 1051811440 /nfs/dbraw/zinc/81/14/40/1051811440.db2.gz MYIIXRHBKGNSRO-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001216536900 1051811815 /nfs/dbraw/zinc/81/18/15/1051811815.db2.gz SIUHMWWTQUUADE-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001216537271 1051811891 /nfs/dbraw/zinc/81/18/91/1051811891.db2.gz XQFURPYRWKNJMN-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CCOc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001173853819 1051827375 /nfs/dbraw/zinc/82/73/75/1051827375.db2.gz ITYGNJYSLUNNPG-UHFFFAOYSA-N -1 3 308.175 4.297 20 0 DIADHM CC(C)Oc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001216620934 1051840895 /nfs/dbraw/zinc/84/08/95/1051840895.db2.gz BUQMCMALSVTAMV-UHFFFAOYSA-N -1 3 314.172 4.020 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2cccc(C(F)(F)F)c2)n1 ZINC000767870379 1051860241 /nfs/dbraw/zinc/86/02/41/1051860241.db2.gz UBXJMNMXSVNUPM-VIFPVBQESA-N -1 3 314.332 4.363 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC001216702616 1051866687 /nfs/dbraw/zinc/86/66/87/1051866687.db2.gz XUOPROUVWHPJNV-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CCCCc1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1 ZINC001216735602 1051869672 /nfs/dbraw/zinc/86/96/72/1051869672.db2.gz NRBGAIIOXVBLIM-UHFFFAOYSA-N -1 3 310.353 4.157 20 0 DIADHM [O-]c1ccc(O)cc1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001216735716 1051869721 /nfs/dbraw/zinc/86/97/21/1051869721.db2.gz SBEQWASYSNVKFM-UHFFFAOYSA-N -1 3 323.135 4.122 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cc(F)cc(F)c1 ZINC001173916544 1051876990 /nfs/dbraw/zinc/87/69/90/1051876990.db2.gz RUPJAYIOIQSCDK-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc4occc43)no2)cc1F ZINC001216895426 1051903102 /nfs/dbraw/zinc/90/31/02/1051903102.db2.gz QZLZHZKDPPKPQR-UHFFFAOYSA-N -1 3 310.284 4.303 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4ccncc4c3)no2)cc1F ZINC001216895453 1051904242 /nfs/dbraw/zinc/90/42/42/1051904242.db2.gz SUOPXDXCEGLJOL-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cnccc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216907706 1051905370 /nfs/dbraw/zinc/90/53/70/1051905370.db2.gz PSVHCOOYWDHKHF-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM CCN(CC)C(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174064602 1051948481 /nfs/dbraw/zinc/94/84/81/1051948481.db2.gz IWNTXKJYWRQHKX-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2cc(Cl)ccc2C)no1 ZINC001217085603 1051949024 /nfs/dbraw/zinc/94/90/24/1051949024.db2.gz SJZCRVAKYAJYHA-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COc1ccc(Nc2cccc([O-])c2Br)c(C)c1 ZINC001174023698 1051954062 /nfs/dbraw/zinc/95/40/62/1051954062.db2.gz MEBMJSWCBIQZFR-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cn2ccnc2s1 ZINC000191015593 1051956659 /nfs/dbraw/zinc/95/66/59/1051956659.db2.gz YUZJJKWFWFQYTF-UHFFFAOYSA-N -1 3 323.830 4.023 20 0 DIADHM Cc1ccc(Cl)cc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217136499 1051972767 /nfs/dbraw/zinc/97/27/67/1051972767.db2.gz BSJYJNZIHWEKSZ-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM CC(C)Oc1cccc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136523 1051973377 /nfs/dbraw/zinc/97/33/77/1051973377.db2.gz CRHGZNMUSIBNKV-UHFFFAOYSA-N -1 3 320.352 4.067 20 0 DIADHM O=C(c1ccc(Nc2cccc([O-])c2Cl)cc1)N1CCCC1 ZINC001174069968 1051991469 /nfs/dbraw/zinc/99/14/69/1051991469.db2.gz UUOVVUDDBPZAEE-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM Cc1ccc(Nc2ccc(C(=O)NC(C)C)cc2)c(Cl)c1[O-] ZINC001174150725 1052021224 /nfs/dbraw/zinc/02/12/24/1052021224.db2.gz YGDURZUPMMBQQU-UHFFFAOYSA-N -1 3 318.804 4.236 20 0 DIADHM Cc1ccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)cc1C ZINC001217322754 1052023535 /nfs/dbraw/zinc/02/35/35/1052023535.db2.gz JIHZIZCKWGCBRU-UHFFFAOYSA-N -1 3 308.316 4.036 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2cccc3occc32)no1 ZINC001217323727 1052025401 /nfs/dbraw/zinc/02/54/01/1052025401.db2.gz XEUXOBXTVPDXPC-UHFFFAOYSA-N -1 3 320.283 4.165 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nc(-c2ccc(F)cc2)no1 ZINC001217412158 1052048287 /nfs/dbraw/zinc/04/82/87/1052048287.db2.gz NEHQGZJOANRIEY-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1ccccc1-c1noc(-c2cc3cc(O)ccc3cc2[O-])n1 ZINC001217419678 1052050957 /nfs/dbraw/zinc/05/09/57/1052050957.db2.gz VICWPXRQNKCZAY-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM Cc1nc(-c2noc(-c3ccc([O-])c4ccccc34)n2)ccc1F ZINC001217436801 1052054806 /nfs/dbraw/zinc/05/48/06/1052054806.db2.gz UATBCCLKLOQVTM-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM COc1ccc2cc([O-])c(-c3nc(-c4ccccc4)no3)cc2c1 ZINC001217523608 1052080690 /nfs/dbraw/zinc/08/06/90/1052080690.db2.gz IUEIJKJIXLHCLQ-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc3ccccc3c2)c1 ZINC000769649500 1052090893 /nfs/dbraw/zinc/09/08/93/1052090893.db2.gz YAJZGMKPYNQNNS-UHFFFAOYSA-N -1 3 305.377 4.384 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@H](C)CCSc2ccccc2)n1 ZINC000769849644 1052117721 /nfs/dbraw/zinc/11/77/21/1052117721.db2.gz ARLHMAFRJLNELO-CYBMUJFWSA-N -1 3 320.483 4.295 20 0 DIADHM CCc1cccc(C(=O)N(C)c2ccc(C)c(Cl)c2)c1[O-] ZINC000769852729 1052118869 /nfs/dbraw/zinc/11/88/69/1052118869.db2.gz BQMQBWPYJCYAME-UHFFFAOYSA-N -1 3 303.789 4.193 20 0 DIADHM CC(C)n1cnc2cc(Nc3ncc(Cl)cc3[O-])ccc21 ZINC001174382054 1052140247 /nfs/dbraw/zinc/14/02/47/1052140247.db2.gz VXBGXEOXZKCZRZ-UHFFFAOYSA-N -1 3 302.765 4.115 20 0 DIADHM CC(C)CCn1cc(Nc2cccc([O-])c2Br)cn1 ZINC001174417181 1052147467 /nfs/dbraw/zinc/14/74/67/1052147467.db2.gz ZYUOFPNVOFBPEU-UHFFFAOYSA-N -1 3 324.222 4.141 20 0 DIADHM C[C@H](NCc1cccc([O-])c1Br)c1ccsc1 ZINC000315905900 1052356500 /nfs/dbraw/zinc/35/65/00/1052356500.db2.gz OEPQOHYSZGWBSV-VIFPVBQESA-N -1 3 312.232 4.067 20 0 DIADHM CCOc1cccc(NCc2cccc([O-])c2Br)c1 ZINC000314955206 1052327758 /nfs/dbraw/zinc/32/77/58/1052327758.db2.gz APPGMKIVDGQKBK-UHFFFAOYSA-N -1 3 322.202 4.166 20 0 DIADHM Cc1c(F)cccc1NCc1cccc([O-])c1Br ZINC000315346268 1052336309 /nfs/dbraw/zinc/33/63/09/1052336309.db2.gz LCUMJJLPCXQJBI-UHFFFAOYSA-N -1 3 310.166 4.214 20 0 DIADHM O=C([N-]c1ccccc1SC(F)(F)F)c1cncs1 ZINC000916061658 1052587283 /nfs/dbraw/zinc/58/72/83/1052587283.db2.gz NKOPHFDRIUHOCT-UHFFFAOYSA-N -1 3 304.318 4.007 20 0 DIADHM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000123801915 1052634199 /nfs/dbraw/zinc/63/41/99/1052634199.db2.gz SDIDJYWQDHJGPP-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1ccsc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125308760 1052647345 /nfs/dbraw/zinc/64/73/45/1052647345.db2.gz KGGLJTBHLGQQEQ-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM O=C(Oc1cccc(Br)c1)c1cc2ccsc2[n-]1 ZINC000916852322 1052663365 /nfs/dbraw/zinc/66/33/65/1052663365.db2.gz LDZCMJKFGFGWIE-UHFFFAOYSA-N -1 3 322.183 4.211 20 0 DIADHM CCc1ccc([C@H](C)CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128361130 1052719946 /nfs/dbraw/zinc/71/99/46/1052719946.db2.gz JFUPQVSAOJJWCS-GFCCVEGCSA-N -1 3 301.361 4.226 20 0 DIADHM [O-]c1coc2cc(O[C@H]3CCCC[C@@H]3c3ccccc3)ccc12 ZINC001225340362 1052776377 /nfs/dbraw/zinc/77/63/77/1052776377.db2.gz KFBCBKVAUPNPDV-APWZRJJASA-N -1 3 308.377 4.367 20 0 DIADHM Cc1ccc(Cl)cc1[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225343160 1052777346 /nfs/dbraw/zinc/77/73/46/1052777346.db2.gz QVEJBRDTIANPEZ-LLVKDONJSA-N -1 3 302.757 4.364 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000069692928 1052799058 /nfs/dbraw/zinc/79/90/58/1052799058.db2.gz PCOZHSVLVLXNIG-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1csc(Cl)c1 ZINC001225578600 1052804608 /nfs/dbraw/zinc/80/46/08/1052804608.db2.gz FZVIKWYCPLFDKL-RXMQYKEDSA-N -1 3 324.711 4.056 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001225741456 1052824777 /nfs/dbraw/zinc/82/47/77/1052824777.db2.gz WALMTLLIJRXEJM-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM CCC[C@H](Oc1[n-]c(=S)ncc1C)c1ccc(OC)cc1 ZINC001225740438 1052824786 /nfs/dbraw/zinc/82/47/86/1052824786.db2.gz GURPPKCZJBYKSW-AWEZNQCLSA-N -1 3 304.415 4.003 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225853419 1052838807 /nfs/dbraw/zinc/83/88/07/1052838807.db2.gz QCJDTOWBAAXBBO-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001225995803 1052856489 /nfs/dbraw/zinc/85/64/89/1052856489.db2.gz SQXPPBKGDCTYGR-INIZCTEOSA-N -1 3 302.757 4.315 20 0 DIADHM CCOc1ccc([C@@H](C)Oc2cc(C(C)=O)ccc2[O-])cc1 ZINC001225995308 1052856988 /nfs/dbraw/zinc/85/69/88/1052856988.db2.gz PXAUSLOWNUDGAN-CYBMUJFWSA-N -1 3 300.354 4.134 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](c2ccccc2)c2ccccn2)c1 ZINC001225996505 1052857782 /nfs/dbraw/zinc/85/77/82/1052857782.db2.gz XLMMWYIDJLSQNO-FQEVSTJZSA-N -1 3 319.360 4.158 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1c(F)cccc1F ZINC001226116446 1052870006 /nfs/dbraw/zinc/87/00/06/1052870006.db2.gz CCGSYIBUGGCGDD-MRVPVSSYSA-N -1 3 308.353 4.061 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@@H]2CCc3ccc(Cl)cc32)[n-]1 ZINC001226121109 1052870829 /nfs/dbraw/zinc/87/08/29/1052870829.db2.gz ZLFHXJZAYMIDBA-CQSZACIVSA-N -1 3 318.829 4.362 20 0 DIADHM CC(=O)c1ccc([O-])c(OC2CCC(C(C)(C)C)CC2)c1O ZINC001226479679 1052900227 /nfs/dbraw/zinc/90/02/27/1052900227.db2.gz ROMCDWBBFILNGJ-UHFFFAOYSA-N -1 3 306.402 4.284 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2ccccc2Cl)c1O ZINC001226478646 1052900250 /nfs/dbraw/zinc/90/02/50/1052900250.db2.gz GOAKQHHZSUEDHJ-SNVBAGLBSA-N -1 3 306.745 4.094 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2csc(Cl)c2)c1O ZINC001226478312 1052900311 /nfs/dbraw/zinc/90/03/11/1052900311.db2.gz DXPOYUGYUVCTCM-MRVPVSSYSA-N -1 3 312.774 4.155 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2Cc3cccc4cccc2c34)c1O ZINC001226478694 1052900325 /nfs/dbraw/zinc/90/03/25/1052900325.db2.gz HNXGTDQGMPMGMI-KRWDZBQOSA-N -1 3 320.344 4.130 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccc(Cl)cc2)c1O ZINC001226480019 1052900479 /nfs/dbraw/zinc/90/04/79/1052900479.db2.gz XEGYIBCMJGNXGS-JTQLQIEISA-N -1 3 306.745 4.094 20 0 DIADHM CC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1cccc(F)c1C ZINC001226481088 1052901267 /nfs/dbraw/zinc/90/12/67/1052901267.db2.gz CLOZJWSJMDHLMP-MRXNPFEDSA-N -1 3 318.344 4.278 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@H](C)CC[C@@H]3C)cc12 ZINC001226531914 1052907337 /nfs/dbraw/zinc/90/73/37/1052907337.db2.gz JPLCGCHOGGPVKN-JRPNMDOOSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3cccs3)cc12 ZINC001226533144 1052907679 /nfs/dbraw/zinc/90/76/79/1052907679.db2.gz AOUSLCVBQUHXBE-JTQLQIEISA-N -1 3 302.351 4.009 20 0 DIADHM Cc1ccccc1[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531686 1052907746 /nfs/dbraw/zinc/90/77/46/1052907746.db2.gz DXHUMPOBOOKJRW-CYBMUJFWSA-N -1 3 310.349 4.255 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2o1 ZINC001226594799 1052913997 /nfs/dbraw/zinc/91/39/97/1052913997.db2.gz BTFCRVWCGBDRHL-AEGPPILISA-N -1 3 314.381 4.236 20 0 DIADHM COc1ccc([C@@H](C)Oc2cccc([O-])c2Cl)cc1OC ZINC001226709594 1052923530 /nfs/dbraw/zinc/92/35/30/1052923530.db2.gz OZSHGKFAYVVHKK-SNVBAGLBSA-N -1 3 308.761 4.203 20 0 DIADHM Cc1ccc(N2CCC(Oc3cccc([O-])c3Cl)CC2)cc1 ZINC001226710495 1052923825 /nfs/dbraw/zinc/92/38/25/1052923825.db2.gz ATCNJJUUCYWIKF-UHFFFAOYSA-N -1 3 317.816 4.402 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(F)c3ccccc23)no1 ZINC000322633620 1052926543 /nfs/dbraw/zinc/92/65/43/1052926543.db2.gz AIZJQQTYGTYCLN-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1cc(OC(c2ccccc2)c2ccccc2)[n-]c(=S)n1 ZINC001226800907 1052932734 /nfs/dbraw/zinc/93/27/34/1052932734.db2.gz KVBZKZOWXDTLBZ-UHFFFAOYSA-N -1 3 308.406 4.242 20 0 DIADHM C[C@H](OC(=O)c1ccc([O-])cc1)c1ccccc1Br ZINC000920497007 1052942792 /nfs/dbraw/zinc/94/27/92/1052942792.db2.gz IDCOELPYCJLOAH-JTQLQIEISA-N -1 3 321.170 4.073 20 0 DIADHM O=c1cc(O[C@H](c2ccccc2)c2ccc(Cl)cc2)nc[n-]1 ZINC001226947375 1052946858 /nfs/dbraw/zinc/94/68/58/1052946858.db2.gz QFUIAMJIJHIBKU-QGZVFWFLSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1ccc(O[C@@H](c2ccccc2)c2cccc(Cl)c2)n[n-]1 ZINC001227094504 1052960937 /nfs/dbraw/zinc/96/09/37/1052960937.db2.gz GQHFLORKUDQFHJ-KRWDZBQOSA-N -1 3 312.756 4.004 20 0 DIADHM O=[S@@](Cc1ccccc1Oc1ccccc1)c1ccc([O-])cc1 ZINC000609364884 1052974428 /nfs/dbraw/zinc/97/44/28/1052974428.db2.gz DYQZXCPPSXOCHY-QHCPKHFHSA-N -1 3 324.401 4.492 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccc(F)c(F)c1 ZINC001227586172 1053002347 /nfs/dbraw/zinc/00/23/47/1053002347.db2.gz IWZPIIKNPSZFJB-ZETCQYMHSA-N -1 3 319.229 4.224 20 0 DIADHM CC1(C)[C@@H]2C[C@@H](Oc3c([O-])cc(Br)cc3F)C[C@@H]21 ZINC001227589043 1053003217 /nfs/dbraw/zinc/00/32/17/1053003217.db2.gz XWLONBDAMCYOPI-OWUUHHOZSA-N -1 3 315.182 4.107 20 0 DIADHM C=CCN(Cc1cccc(C#N)c1)Cc1cccc(Cl)c1[O-] ZINC000179856483 1053031067 /nfs/dbraw/zinc/03/10/67/1053031067.db2.gz ZDUBFRJTCIWYRS-UHFFFAOYSA-N -1 3 312.800 4.105 20 0 DIADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1ccc2ccccc2c1 ZINC001227999579 1053035091 /nfs/dbraw/zinc/03/50/91/1053035091.db2.gz AWNFJNCPGKSHGS-LBPRGKRZSA-N -1 3 317.348 4.024 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)CC(C)(C)OC ZINC001228135825 1053046220 /nfs/dbraw/zinc/04/62/20/1053046220.db2.gz JDGWXXPTURRSNQ-LBPRGKRZSA-N -1 3 308.418 4.130 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCC(=O)CC1(C)C ZINC001228134881 1053046294 /nfs/dbraw/zinc/04/62/94/1053046294.db2.gz UHVHXNWANJTQDC-QGZVFWFLSA-N -1 3 318.413 4.074 20 0 DIADHM C[C@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])c1cccnc1 ZINC001228152050 1053048162 /nfs/dbraw/zinc/04/81/62/1053048162.db2.gz LKSZIPBBLLQISF-AWEZNQCLSA-N -1 3 319.360 4.158 20 0 DIADHM Fc1ccccc1[N-]c1nnc(S[C@H]2CCSC2)s1 ZINC000849857039 1053110696 /nfs/dbraw/zinc/11/06/96/1053110696.db2.gz GCIFGIGTRSIYRN-QMMMGPOBSA-N -1 3 313.448 4.018 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000617271764 1053118667 /nfs/dbraw/zinc/11/86/67/1053118667.db2.gz SWRYSKYDTUMHEX-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1cn(C2CCCCC2)nc1NCc1cc([O-])cc(F)c1 ZINC000545315056 1053140295 /nfs/dbraw/zinc/14/02/95/1053140295.db2.gz CUQICNXMWMWWNP-UHFFFAOYSA-N -1 3 303.381 4.154 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC=CCCC1 ZINC001228622820 1053147817 /nfs/dbraw/zinc/14/78/17/1053147817.db2.gz LSTSHYDMCSHEBW-CYBMUJFWSA-N -1 3 300.354 4.075 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001228623240 1053148222 /nfs/dbraw/zinc/14/82/22/1053148222.db2.gz QEYUHYDILDTWHM-PJXYFTJBSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001228622031 1053148245 /nfs/dbraw/zinc/14/82/45/1053148245.db2.gz GUTBXYCWEDSHQQ-JRPNMDOOSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001228622838 1053148468 /nfs/dbraw/zinc/14/84/68/1053148468.db2.gz MPOISDHWQTZUOT-NTZNESFSSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001228623500 1053149543 /nfs/dbraw/zinc/14/95/43/1053149543.db2.gz RRODDNSRRRXKRV-JVLSTEMRSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001228623497 1053150013 /nfs/dbraw/zinc/15/00/13/1053150013.db2.gz RRODDNSRRRXKRV-IFUGULHKSA-N -1 3 302.370 4.011 20 0 DIADHM CCCC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1ccccc1 ZINC001228696746 1053160704 /nfs/dbraw/zinc/16/07/04/1053160704.db2.gz CIKUNWTWHDFTPA-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1csc(Cl)c1 ZINC001228854781 1053194642 /nfs/dbraw/zinc/19/46/42/1053194642.db2.gz WBHDKNSNDOQNDG-QMMMGPOBSA-N -1 3 308.786 4.376 20 0 DIADHM C[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1Cl ZINC001228858492 1053194751 /nfs/dbraw/zinc/19/47/51/1053194751.db2.gz RBDFMNDXQWSMHW-SNVBAGLBSA-N -1 3 302.757 4.315 20 0 DIADHM O=C1CCc2cc([O-])c(OC3CCC(C(F)(F)F)CC3)cc21 ZINC001228856971 1053194866 /nfs/dbraw/zinc/19/48/66/1053194866.db2.gz HYIFUZHIIMQOFW-UHFFFAOYSA-N -1 3 314.303 4.021 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000089395157 1053201515 /nfs/dbraw/zinc/20/15/15/1053201515.db2.gz PQZRSOWYEXGZFA-UHFFFAOYSA-N -1 3 314.316 4.197 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H]1CCc2cccnc21 ZINC001228957127 1053213331 /nfs/dbraw/zinc/21/33/31/1053213331.db2.gz ASGIDCJEXSYEDY-KRWDZBQOSA-N -1 3 311.381 4.180 20 0 DIADHM CCC[C@@H](Oc1cc(O)cc([O-])c1Br)[C@@H](C)CC ZINC001229100156 1053246294 /nfs/dbraw/zinc/24/62/94/1053246294.db2.gz QIEXHTYHCJSHHD-JOYOIKCWSA-N -1 3 317.223 4.454 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1Br)c1ccccc1F ZINC001229139687 1053257142 /nfs/dbraw/zinc/25/71/42/1053257142.db2.gz KHICLPKDVDIBJD-SECBINFHSA-N -1 3 311.150 4.434 20 0 DIADHM [O-]c1cccc(O[C@H]2CCc3ccccc3C2)c1Br ZINC001229144040 1053259429 /nfs/dbraw/zinc/25/94/29/1053259429.db2.gz ZUBOFGYTYUMBMS-ZDUSSCGKSA-N -1 3 319.198 4.091 20 0 DIADHM Cc1csc2[n-]c(=S)nc(O[C@H](C)c3ccc(C)nc3)c12 ZINC001229354309 1053304698 /nfs/dbraw/zinc/30/46/98/1053304698.db2.gz VUSLQUHDMOEAGY-SNVBAGLBSA-N -1 3 317.439 4.132 20 0 DIADHM CC(C)(C)Cc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC001545835814 1053368812 /nfs/dbraw/zinc/36/88/12/1053368812.db2.gz PIUFIOGJSBUNRW-UHFFFAOYSA-N -1 3 301.361 4.372 20 0 DIADHM Cc1cccc(Cl)c1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001200196233 1053453523 /nfs/dbraw/zinc/45/35/23/1053453523.db2.gz OHICPXKOLFEUDI-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCN(Cc1sc(=O)[n-]c1Cl)Cc1ccc(Cl)cc1 ZINC001237164061 1053495283 /nfs/dbraw/zinc/49/52/83/1053495283.db2.gz GNDSIRMQIDYYMU-UHFFFAOYSA-N -1 3 317.241 4.178 20 0 DIADHM Cc1c2cccc(C)c2oc1CN(C)C(=O)c1c(C)cccc1[O-] ZINC001300279119 1053553474 /nfs/dbraw/zinc/55/34/74/1053553474.db2.gz RJTWJNUDTMIVAO-UHFFFAOYSA-N -1 3 323.392 4.336 20 0 DIADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC001231116880 1053677351 /nfs/dbraw/zinc/67/73/51/1053677351.db2.gz SNZGBJAYPICJAK-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC001231116880 1053677357 /nfs/dbraw/zinc/67/73/57/1053677357.db2.gz SNZGBJAYPICJAK-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM CC(C)c1ocnc1C(=O)[N-]c1csnc1-c1ccccc1 ZINC001353835008 1053680358 /nfs/dbraw/zinc/68/03/58/1053680358.db2.gz UUIRWNUDRGCFLK-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000620636060 1053692100 /nfs/dbraw/zinc/69/21/00/1053692100.db2.gz KNBKWJIJRNDANA-MFKMUULPSA-N -1 3 319.788 4.333 20 0 DIADHM Cc1c([C@H](C)Oc2ccccc2Oc2ccccc2[O-])cnn1C ZINC001231218318 1053703975 /nfs/dbraw/zinc/70/39/75/1053703975.db2.gz IKMRZXOHMZTRDL-AWEZNQCLSA-N -1 3 324.380 4.366 20 0 DIADHM O=C([N-]c1c(F)cccc1Cl)c1ncsc1C(F)(F)F ZINC001435864677 1053705897 /nfs/dbraw/zinc/70/58/97/1053705897.db2.gz FOCPXBYLBLRLKJ-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459243 1053758514 /nfs/dbraw/zinc/75/85/14/1053758514.db2.gz KJKBUQBSLFFSHH-GOSISDBHSA-N -1 3 313.372 4.169 20 0 DIADHM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231458414 1053758836 /nfs/dbraw/zinc/75/88/36/1053758836.db2.gz WWJIFMMNTCJEEE-SFHVURJKSA-N -1 3 313.372 4.169 20 0 DIADHM [O-]c1ccc(CN2CCc3sccc3C2)cc1C(F)(F)F ZINC001231522735 1053778411 /nfs/dbraw/zinc/77/84/11/1053778411.db2.gz JDUJPKWCMVFGRT-UHFFFAOYSA-N -1 3 313.344 4.031 20 0 DIADHM COc1ccc([C@H]2CCCN2Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231737077 1053844141 /nfs/dbraw/zinc/84/41/41/1053844141.db2.gz KWNMVEQLKMAFEX-QGZVFWFLSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)nc2ccccc12 ZINC001327873582 1053889733 /nfs/dbraw/zinc/88/97/33/1053889733.db2.gz HZIKKDNLWZUVNX-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000325719574 1054080982 /nfs/dbraw/zinc/08/09/82/1054080982.db2.gz UEJQETPPOSWZRA-MRXNPFEDSA-N -1 3 314.344 4.283 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC(c3ccccc3)CC2)c1F ZINC001232934780 1054149040 /nfs/dbraw/zinc/14/90/40/1054149040.db2.gz WBHQBHHFZHQMBB-UHFFFAOYSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC(Cc3ccccc3)CC2)c1F ZINC001232933714 1054149991 /nfs/dbraw/zinc/14/99/91/1054149991.db2.gz OKPLMVQACOBGSC-UHFFFAOYSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1cc(CN2CCCC[C@@H]2c2ccccc2)cc(F)c1F ZINC001232970047 1054162025 /nfs/dbraw/zinc/16/20/25/1054162025.db2.gz GWZUSUZGKXZGEI-MRXNPFEDSA-N -1 3 303.352 4.398 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232970525 1054162135 /nfs/dbraw/zinc/16/21/35/1054162135.db2.gz FSBJXIBICROZBI-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H](c3ccccc3)C2)cc(F)c1F ZINC001232971846 1054162631 /nfs/dbraw/zinc/16/26/31/1054162631.db2.gz QHUNZCMBTYHXDH-OAHLLOKOSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1cc(CN2CCC[C@H](c3ccccc3)CC2)cc(F)c1F ZINC001232976088 1054163116 /nfs/dbraw/zinc/16/31/16/1054163116.db2.gz VPIASUHJNQRLSU-INIZCTEOSA-N -1 3 317.379 4.440 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c1[O-] ZINC000622316943 1054169378 /nfs/dbraw/zinc/16/93/78/1054169378.db2.gz HHWAUCYQGRKCAM-QGZVFWFLSA-N -1 3 301.430 4.140 20 0 DIADHM CCCC1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000622326427 1054174788 /nfs/dbraw/zinc/17/47/88/1054174788.db2.gz QFPIYAPDJYHZTQ-UHFFFAOYSA-N -1 3 321.436 4.329 20 0 DIADHM [O-]c1cnc(Cl)cc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001233037662 1054175447 /nfs/dbraw/zinc/17/54/47/1054175447.db2.gz DHIHPJKUCHEEFT-GFCCVEGCSA-N -1 3 323.223 4.084 20 0 DIADHM CCCCN(C(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000622334008 1054176031 /nfs/dbraw/zinc/17/60/31/1054176031.db2.gz VKJTULISLIVKLA-UHFFFAOYSA-N -1 3 307.409 4.035 20 0 DIADHM [O-]c1cccc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1F ZINC001233050703 1054177049 /nfs/dbraw/zinc/17/70/49/1054177049.db2.gz SQTKBUYJEGQSGA-UHFFFAOYSA-N -1 3 317.791 4.474 20 0 DIADHM CN(Cc1ccc(Cl)cc1Cl)Cc1cccc([O-])c1F ZINC001233051028 1054177599 /nfs/dbraw/zinc/17/75/99/1054177599.db2.gz YVKZAVAMUNNESR-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cccc([O-])c1F ZINC001233054357 1054177662 /nfs/dbraw/zinc/17/76/62/1054177662.db2.gz JWLVYJRPCBBDCU-INIZCTEOSA-N -1 3 315.388 4.015 20 0 DIADHM [O-]c1cccc(CN2CCCC[C@H]2c2ccccc2F)c1F ZINC001233052085 1054177703 /nfs/dbraw/zinc/17/77/03/1054177703.db2.gz FVRXVVHGFIOETG-INIZCTEOSA-N -1 3 303.352 4.398 20 0 DIADHM CN(Cc1cccc([O-])c1F)Cc1cccc(Cl)c1Cl ZINC001233053867 1054177804 /nfs/dbraw/zinc/17/78/04/1054177804.db2.gz VDIDCIFALPTKSA-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000622350676 1054185508 /nfs/dbraw/zinc/18/55/08/1054185508.db2.gz OXKDKWYPKOOLTI-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM CC1(C)CCCC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622430285 1054219772 /nfs/dbraw/zinc/21/97/72/1054219772.db2.gz XOWRGGYECRYVKE-ZDUSSCGKSA-N -1 3 315.335 4.110 20 0 DIADHM CCC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622429767 1054221884 /nfs/dbraw/zinc/22/18/84/1054221884.db2.gz LVUIAMJYMRMMKX-NSHDSACASA-N -1 3 315.335 4.063 20 0 DIADHM CC(C)c1csc(CNC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000622443596 1054236816 /nfs/dbraw/zinc/23/68/16/1054236816.db2.gz BAIRXGAKBTZRDE-UHFFFAOYSA-N -1 3 318.442 4.026 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1CCC1CCCCC1 ZINC000622447909 1054239647 /nfs/dbraw/zinc/23/96/47/1054239647.db2.gz VDUDJSGEXMPIHP-MRXNPFEDSA-N -1 3 301.430 4.357 20 0 DIADHM COc1ccc(CN2Cc3cccc(Cl)c3C2)c(Cl)c1[O-] ZINC001233401410 1054264329 /nfs/dbraw/zinc/26/43/29/1054264329.db2.gz YISGQDULQNVIOJ-UHFFFAOYSA-N -1 3 324.207 4.223 20 0 DIADHM COc1ccc(CN(Cc2ccccc2)C2CC2)c(Cl)c1[O-] ZINC001233400976 1054264408 /nfs/dbraw/zinc/26/44/08/1054264408.db2.gz HGPVJZSPSFEKOA-UHFFFAOYSA-N -1 3 317.816 4.219 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000622543582 1054279079 /nfs/dbraw/zinc/27/90/79/1054279079.db2.gz NEWRGJULCQQBIP-CYBMUJFWSA-N -1 3 317.351 4.222 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c([O-])c1 ZINC000622558065 1054289846 /nfs/dbraw/zinc/28/98/46/1054289846.db2.gz ZXOMKGQGAOZNKG-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C)C2)c([O-])c1 ZINC000622574021 1054298584 /nfs/dbraw/zinc/29/85/84/1054298584.db2.gz BSSYNJQCHZZZNF-HNNXBMFYSA-N -1 3 303.446 4.414 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001233591912 1054302881 /nfs/dbraw/zinc/30/28/81/1054302881.db2.gz IBAIQQJMXWKJLJ-OAHLLOKOSA-N -1 3 317.816 4.402 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H](CC(C)(C)C)C2)c([O-])c1 ZINC000622673854 1054335183 /nfs/dbraw/zinc/33/51/83/1054335183.db2.gz XRQAIBWPYQNCGK-CQSZACIVSA-N -1 3 303.446 4.414 20 0 DIADHM O=C(O[C@@H]1CCCOc2ccccc21)c1cccc(Cl)c1[O-] ZINC001356461750 1054336853 /nfs/dbraw/zinc/33/68/53/1054336853.db2.gz WNKBJPGBMSMXPO-OAHLLOKOSA-N -1 3 318.756 4.116 20 0 DIADHM CC1(C)CCC(C)(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000622706068 1054340533 /nfs/dbraw/zinc/34/05/33/1054340533.db2.gz UTBVKYVLBICHGH-UHFFFAOYSA-N -1 3 309.837 4.382 20 0 DIADHM [O-]c1cccc(O[C@H]2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001233869274 1054376520 /nfs/dbraw/zinc/37/65/20/1054376520.db2.gz FHRPUZWTTSGKQX-CABCVRRESA-N -1 3 302.345 4.048 20 0 DIADHM COc1ccccc1[C@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233870514 1054379472 /nfs/dbraw/zinc/37/94/72/1054379472.db2.gz DXJHCQKOELLTQX-AWEZNQCLSA-N -1 3 316.250 4.222 20 0 DIADHM [O-]c1cccc(OC2CCC(OCc3ccccc3)CC2)c1F ZINC001233871201 1054379489 /nfs/dbraw/zinc/37/94/89/1054379489.db2.gz MKTMLZIKESXALH-UHFFFAOYSA-N -1 3 316.372 4.438 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 ZINC001441182000 1054386570 /nfs/dbraw/zinc/38/65/70/1054386570.db2.gz VEQIZFOYRIKXDF-ZDUSSCGKSA-N -1 3 315.438 4.256 20 0 DIADHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c(C)cccc1[O-] ZINC001441492793 1054392302 /nfs/dbraw/zinc/39/23/02/1054392302.db2.gz ZKYGAXDTSPVQRH-AWEZNQCLSA-N -1 3 313.397 4.046 20 0 DIADHM CCc1cccc(C(=O)N(C)Cc2cccc3ccccc32)c1[O-] ZINC001441670066 1054397168 /nfs/dbraw/zinc/39/71/68/1054397168.db2.gz WNRPCVFCYBHOEE-UHFFFAOYSA-N -1 3 319.404 4.380 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC2CCC1CC2 ZINC001341682435 1054403429 /nfs/dbraw/zinc/40/34/29/1054403429.db2.gz DMXFHASSNJTLSK-UHFFFAOYSA-N -1 3 323.392 4.199 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)c([O-])c1 ZINC001442293675 1054416765 /nfs/dbraw/zinc/41/67/65/1054416765.db2.gz GJQWNMMYCBTOGO-ZDUSSCGKSA-N -1 3 313.397 4.384 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)c3ncccc23)c1 ZINC001442761903 1054431980 /nfs/dbraw/zinc/43/19/80/1054431980.db2.gz ADANTHVKMOUFBI-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@@H](CNC(=O)c1ccccc1[O-])c1c(Cl)cccc1Cl ZINC001442796310 1054433924 /nfs/dbraw/zinc/43/39/24/1054433924.db2.gz HBMHHMYVOQZBLY-JTQLQIEISA-N -1 3 324.207 4.233 20 0 DIADHM C[C@H]1CCC[C@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001443683748 1054455065 /nfs/dbraw/zinc/45/50/65/1054455065.db2.gz AKVZKUVLIYMBKT-HNAYVOBHSA-N -1 3 323.436 4.096 20 0 DIADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001443683749 1054455876 /nfs/dbraw/zinc/45/58/76/1054455876.db2.gz AKVZKUVLIYMBKT-KXBFYZLASA-N -1 3 323.436 4.096 20 0 DIADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC001443729768 1054457127 /nfs/dbraw/zinc/45/71/27/1054457127.db2.gz MJVMJJKATKPHDW-CYBMUJFWSA-N -1 3 315.438 4.384 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC001443730575 1054458303 /nfs/dbraw/zinc/45/83/03/1054458303.db2.gz JMYFBBDRTGMVSR-KRWDZBQOSA-N -1 3 313.372 4.072 20 0 DIADHM Cc1nc(COC(=O)c2cc3sccc3c([O-])c2)c(C)s1 ZINC001343978533 1054459223 /nfs/dbraw/zinc/45/92/23/1054459223.db2.gz MWZODSRVWRRWBC-UHFFFAOYSA-N -1 3 319.407 4.037 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001444027594 1054465869 /nfs/dbraw/zinc/46/58/69/1054465869.db2.gz FCOHVFQYOOEPIQ-VNQPRFMTSA-N -1 3 301.430 4.214 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001444027584 1054466364 /nfs/dbraw/zinc/46/63/64/1054466364.db2.gz FCOHVFQYOOEPIQ-FVQBIDKESA-N -1 3 301.430 4.214 20 0 DIADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444357682 1054474800 /nfs/dbraw/zinc/47/48/00/1054474800.db2.gz WZBZQAFNVKRNBY-CABCVRRESA-N -1 3 311.425 4.147 20 0 DIADHM C[C@H](COc1c(Cl)ccc([O-])c1F)OCc1ccccc1 ZINC001234266127 1054480059 /nfs/dbraw/zinc/48/00/59/1054480059.db2.gz YPGZKMNVZOTVNX-LLVKDONJSA-N -1 3 310.752 4.169 20 0 DIADHM COC(=O)c1ccc([C@@H](C)Oc2c(Cl)ccc([O-])c2F)cc1 ZINC001234263869 1054480393 /nfs/dbraw/zinc/48/03/93/1054480393.db2.gz JVWVVQAULXQZRQ-SECBINFHSA-N -1 3 324.735 4.111 20 0 DIADHM CCCCc1nc2cc(NC(=O)c3c(C)cccc3[O-])ccc2[nH]1 ZINC001445538086 1054509739 /nfs/dbraw/zinc/50/97/39/1054509739.db2.gz JIUUQTZFLHCPMB-UHFFFAOYSA-N -1 3 323.396 4.172 20 0 DIADHM CC(C)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000623017583 1054512818 /nfs/dbraw/zinc/51/28/18/1054512818.db2.gz ARLRYFRWUBERFY-UHFFFAOYSA-N -1 3 315.335 4.204 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1OC1CC(OCc2ccccc2)C1 ZINC001234446524 1054523730 /nfs/dbraw/zinc/52/37/30/1054523730.db2.gz GFYLICQBMNNRBD-UHFFFAOYSA-N -1 3 322.763 4.311 20 0 DIADHM O=C(Nc1cc(F)cc(Cl)c1)c1cc2c(cc1[O-])CCCC2 ZINC001446064103 1054524659 /nfs/dbraw/zinc/52/46/59/1054524659.db2.gz CGWHVMSKOFCPED-UHFFFAOYSA-N -1 3 319.763 4.316 20 0 DIADHM COc1cccc2c1[C@H](Oc1c([O-])cc(Cl)cc1F)CCO2 ZINC001234448545 1054525604 /nfs/dbraw/zinc/52/56/04/1054525604.db2.gz UNYKQAGIFFOUCD-CQSZACIVSA-N -1 3 324.735 4.096 20 0 DIADHM [O-]c1cccc2[nH]c(O[C@H]3Cc4cccc5cccc3c45)nc21 ZINC001234448744 1054525785 /nfs/dbraw/zinc/52/57/85/1054525785.db2.gz YICRRJOMKSIYOB-INIZCTEOSA-N -1 3 302.333 4.098 20 0 DIADHM C[C@H](COc1c([O-])cc(Cl)cc1F)OCc1ccccc1 ZINC001234448909 1054526801 /nfs/dbraw/zinc/52/68/01/1054526801.db2.gz YHLGLUXBIYVKKC-LLVKDONJSA-N -1 3 310.752 4.169 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1c(F)ccc(F)c1Cl ZINC001446530902 1054539017 /nfs/dbraw/zinc/53/90/17/1054539017.db2.gz XWLMOTNHNRMMKX-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM Cc1cccc(OCCCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001447276062 1054557947 /nfs/dbraw/zinc/55/79/47/1054557947.db2.gz UYJVDFKOUXIGTR-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM O=C(Cc1cccc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC001447274925 1054558688 /nfs/dbraw/zinc/55/86/88/1054558688.db2.gz PFLIBQWHQCLPLT-UHFFFAOYSA-N -1 3 311.768 4.380 20 0 DIADHM CCCC[C@@H](CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447275601 1054558732 /nfs/dbraw/zinc/55/87/32/1054558732.db2.gz HAOHMNDHEWEPKL-SNVBAGLBSA-N -1 3 314.223 4.310 20 0 DIADHM Cc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])c(Cl)c1 ZINC001447273737 1054558927 /nfs/dbraw/zinc/55/89/27/1054558927.db2.gz KGOVKQIOQMYSPA-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM CCCC(CCC)C(=O)Nc1cc(Br)ccc1[O-] ZINC001447275711 1054559612 /nfs/dbraw/zinc/55/96/12/1054559612.db2.gz HVXOGISOKXZRQZ-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM Cc1ccc(/C=C/CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001447274923 1054559725 /nfs/dbraw/zinc/55/97/25/1054559725.db2.gz PCGYBUZFBHYNDW-NSCUHMNNSA-N -1 3 301.773 4.396 20 0 DIADHM CCc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000309 1054573495 /nfs/dbraw/zinc/57/34/95/1054573495.db2.gz JXTADPZBAQZTLM-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM C/C(=C/c1ccc(C)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000499 1054574494 /nfs/dbraw/zinc/57/44/94/1054574494.db2.gz QEJZYEALTXFPRQ-XFXZXTDPSA-N -1 3 301.773 4.396 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234692932 1054577286 /nfs/dbraw/zinc/57/72/86/1054577286.db2.gz RTQAGWAITWOBSQ-AWEZNQCLSA-N -1 3 306.365 4.298 20 0 DIADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccc(F)cc1 ZINC001234688560 1054578695 /nfs/dbraw/zinc/57/86/95/1054578695.db2.gz ILUSTIMGEVSNSF-GFCCVEGCSA-N -1 3 310.328 4.128 20 0 DIADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448080308 1054587888 /nfs/dbraw/zinc/58/78/88/1054587888.db2.gz DGIMUSUBQLJLNX-DNVCBOLYSA-N -1 3 323.436 4.244 20 0 DIADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448080307 1054588080 /nfs/dbraw/zinc/58/80/80/1054588080.db2.gz DGIMUSUBQLJLNX-BEFAXECRSA-N -1 3 323.436 4.244 20 0 DIADHM Cc1cc(COc2nc3ccsc3[n-]2)ccc1OC(C)C ZINC001234846989 1054599215 /nfs/dbraw/zinc/59/92/15/1054599215.db2.gz GDFAAZGCVIGSNW-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM Cc1cc(COc2nc3sccc3[n-]2)ccc1OC(C)C ZINC001234846989 1054599230 /nfs/dbraw/zinc/59/92/30/1054599230.db2.gz GDFAAZGCVIGSNW-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM CC(C)Oc1ncc(Cl)cc1COc1nc2ccsc2[n-]1 ZINC001234856397 1054604168 /nfs/dbraw/zinc/60/41/68/1054604168.db2.gz XIPLFBRTAOZNIW-UHFFFAOYSA-N -1 3 323.805 4.039 20 0 DIADHM CC(C)Oc1ncc(Cl)cc1COc1nc2sccc2[n-]1 ZINC001234856397 1054604180 /nfs/dbraw/zinc/60/41/80/1054604180.db2.gz XIPLFBRTAOZNIW-UHFFFAOYSA-N -1 3 323.805 4.039 20 0 DIADHM CC1(CCNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001448971803 1054611097 /nfs/dbraw/zinc/61/10/97/1054611097.db2.gz SRWQCUYBGREBHY-UHFFFAOYSA-N -1 3 311.381 4.105 20 0 DIADHM C/C(=C\c1ccc(C)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001450265098 1054643972 /nfs/dbraw/zinc/64/39/72/1054643972.db2.gz ZCTDKCXECBWOJO-ZRDIBKRKSA-N -1 3 301.773 4.396 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001450363947 1054645631 /nfs/dbraw/zinc/64/56/31/1054645631.db2.gz HJIRMMLRYDVQIR-JTQLQIEISA-N -1 3 304.217 4.020 20 0 DIADHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001450404254 1054648244 /nfs/dbraw/zinc/64/82/44/1054648244.db2.gz IPQVBMWGKCXRFT-ZBFHGGJFSA-N -1 3 303.446 4.462 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCCCC23CCCC3)c1 ZINC001450450978 1054649950 /nfs/dbraw/zinc/64/99/50/1054649950.db2.gz QIMKXLGCZQRMLF-MRXNPFEDSA-N -1 3 319.470 4.347 20 0 DIADHM CC(C)c1ccc(C(=O)NCC(F)(F)c2ccccc2)c([O-])c1 ZINC001450649645 1054655642 /nfs/dbraw/zinc/65/56/42/1054655642.db2.gz DBOGHQYYACLMTP-UHFFFAOYSA-N -1 3 319.351 4.037 20 0 DIADHM CS[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000179195951 1054670487 /nfs/dbraw/zinc/67/04/87/1054670487.db2.gz PAIMYYDGFXOLBG-CQSZACIVSA-N -1 3 307.802 4.088 20 0 DIADHM CCC(C)(C)c1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001546032386 1054681832 /nfs/dbraw/zinc/68/18/32/1054681832.db2.gz QNUQOZBHIKXGTK-UHFFFAOYSA-N -1 3 311.425 4.318 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1 ZINC001452152703 1054695582 /nfs/dbraw/zinc/69/55/82/1054695582.db2.gz RMIINDKRDYYXLO-WBVHZDCISA-N -1 3 315.457 4.243 20 0 DIADHM C[C@@H]1CC(CNC(=O)c2cc3sccc3c([O-])c2)C[C@@H](C)C1 ZINC001453052919 1054728880 /nfs/dbraw/zinc/72/88/80/1054728880.db2.gz AVEZTCJHTOCZKU-RYUDHWBXSA-N -1 3 317.454 4.409 20 0 DIADHM O=C([N-]OCC1CCC1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001453745529 1054746584 /nfs/dbraw/zinc/74/65/84/1054746584.db2.gz YSMSHYSGOHFEDS-UHFFFAOYSA-N -1 3 319.420 4.167 20 0 DIADHM CC(C)c1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cs1 ZINC000180350851 1054750212 /nfs/dbraw/zinc/75/02/12/1054750212.db2.gz CFQLBJWATGUKNB-UHFFFAOYSA-N -1 3 316.760 4.450 20 0 DIADHM CC(=O)c1csc(C(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000180351074 1054750622 /nfs/dbraw/zinc/75/06/22/1054750622.db2.gz WYCFJBPGZPEXKF-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC001349515757 1054762177 /nfs/dbraw/zinc/76/21/77/1054762177.db2.gz URBWUDQYFRIDLD-UHFFFAOYSA-N -1 3 306.456 4.415 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC001454349775 1054765806 /nfs/dbraw/zinc/76/58/06/1054765806.db2.gz ZCEPCBDAHFMRCL-OAHLLOKOSA-N -1 3 315.800 4.161 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccco1 ZINC001454614353 1054776112 /nfs/dbraw/zinc/77/61/12/1054776112.db2.gz YKCUXKAKPLWJFV-SFHVURJKSA-N -1 3 321.376 4.362 20 0 DIADHM CC1(c2cc([N-]C(=O)c3ccc(C(F)F)o3)no2)CCCC1 ZINC000629986508 1054818151 /nfs/dbraw/zinc/81/81/51/1054818151.db2.gz HKVFQYOISVDTIP-UHFFFAOYSA-N -1 3 310.300 4.289 20 0 DIADHM COc1ccccc1-c1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235898719 1054836528 /nfs/dbraw/zinc/83/65/28/1054836528.db2.gz CAAPCDRTGCYCPP-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncc3c(n2)-c2ccccc2CC3)c1 ZINC001235899430 1054836837 /nfs/dbraw/zinc/83/68/37/1054836837.db2.gz QOBCSEAGDGNJAG-UHFFFAOYSA-N -1 3 308.768 4.268 20 0 DIADHM COc1cc2ccnc(-c3cc([O-])cc(Cl)c3)c2cc1OC ZINC001235898455 1054837455 /nfs/dbraw/zinc/83/74/55/1054837455.db2.gz HQDACOLFODODJV-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM COC(=O)c1ccc2c(ccnc2-c2cc([O-])cc(Cl)c2)c1 ZINC001235899037 1054838130 /nfs/dbraw/zinc/83/81/30/1054838130.db2.gz ATDAJZIRHLFWSK-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM COc1ccccc1-c1ccnc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900154 1054839168 /nfs/dbraw/zinc/83/91/68/1054839168.db2.gz LMBYBBOASXXANP-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COC(=O)c1cc2ccccc2nc1-c1cc([O-])cc(Cl)c1 ZINC001235899803 1054840111 /nfs/dbraw/zinc/84/01/11/1054840111.db2.gz UKMJBDZFICUILE-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CC(C)(C)c1nc(-c2cc([O-])cc(Cl)c2)nc(C(C)(C)C)n1 ZINC001235900481 1054840725 /nfs/dbraw/zinc/84/07/25/1054840725.db2.gz NXLCTEPWXQLHOP-UHFFFAOYSA-N -1 3 319.836 4.493 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccc3nc(C(F)(F)F)[nH]c3n2)c1 ZINC001235901838 1054841057 /nfs/dbraw/zinc/84/10/57/1054841057.db2.gz YPSWETBERZVJRP-UHFFFAOYSA-N -1 3 313.666 4.003 20 0 DIADHM CC(C)(C)C(=O)Nc1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235903926 1054842455 /nfs/dbraw/zinc/84/24/55/1054842455.db2.gz LWLHXEXWMUJVLP-UHFFFAOYSA-N -1 3 304.777 4.092 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C(=O)[O-])cc2)c1F ZINC001236063834 1054923013 /nfs/dbraw/zinc/92/30/13/1054923013.db2.gz ILJOBVWSEDEYDV-UHFFFAOYSA-N -1 3 301.361 4.033 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001236099716 1054943971 /nfs/dbraw/zinc/94/39/71/1054943971.db2.gz PVVDAGUMTOYSHM-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001236099716 1054943982 /nfs/dbraw/zinc/94/39/82/1054943982.db2.gz PVVDAGUMTOYSHM-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c(C)o1 ZINC000183139825 1055031945 /nfs/dbraw/zinc/03/19/45/1055031945.db2.gz LYNBWHHUJICELP-UHFFFAOYSA-N -1 3 320.197 4.004 20 0 DIADHM Cc1ccc(F)c(-c2cccnc2OCc2ccccc2)c1[O-] ZINC001236402985 1055095866 /nfs/dbraw/zinc/09/58/66/1055095866.db2.gz GNQOFNICTRBBDG-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000380975168 1055140897 /nfs/dbraw/zinc/14/08/97/1055140897.db2.gz YXXCAVRXLNGIFR-NSHDSACASA-N -1 3 307.743 4.208 20 0 DIADHM O=c1ccnc(C=Cc2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000764434703 1055185608 /nfs/dbraw/zinc/18/56/08/1055185608.db2.gz MAIPGJNDVDVRAF-RQOWECAXSA-N -1 3 300.667 4.025 20 0 DIADHM O=c1ccnc(C=Cc2c(OC(F)F)ccc3ccccc32)[n-]1 ZINC000764441737 1055187706 /nfs/dbraw/zinc/18/77/06/1055187706.db2.gz KEPCIPYIRWFITF-VURMDHGXSA-N -1 3 314.291 4.107 20 0 DIADHM CN(Cc1ccc(F)c([O-])c1)Cc1ccc(Cl)c(Cl)c1 ZINC001236700877 1055232932 /nfs/dbraw/zinc/23/29/32/1055232932.db2.gz ZEOSCYIJRJHYJR-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM [O-]c1cc(CN2C3CCCC2CCC3)ccc1Br ZINC001236695668 1055233424 /nfs/dbraw/zinc/23/34/24/1055233424.db2.gz NHLFVBPXYMSTOB-UHFFFAOYSA-N -1 3 310.235 4.062 20 0 DIADHM CN(Cc1ccc(F)c([O-])c1)Cc1ccc(Cl)cc1Cl ZINC001236703531 1055234173 /nfs/dbraw/zinc/23/41/73/1055234173.db2.gz OSCCGIZFYULIIH-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM [O-]c1cc(CN2CCCC[C@H]2c2ccccc2F)ccc1F ZINC001236706558 1055237022 /nfs/dbraw/zinc/23/70/22/1055237022.db2.gz ZLCAXUKQXRGGET-KRWDZBQOSA-N -1 3 303.352 4.398 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1nsc2ccccc21 ZINC001537378356 1055298442 /nfs/dbraw/zinc/29/84/42/1055298442.db2.gz NGIQAUFPWQAVRL-UHFFFAOYSA-N -1 3 318.398 4.410 20 0 DIADHM CSc1ccncc1[N-]C(=O)c1ccc(-c2cccs2)o1 ZINC001587466408 1055303662 /nfs/dbraw/zinc/30/36/62/1055303662.db2.gz LBQSYAJWYXPWKK-UHFFFAOYSA-N -1 3 316.407 4.377 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]1Cc1ccccc1 ZINC001587727258 1055351852 /nfs/dbraw/zinc/35/18/52/1055351852.db2.gz PFKARISAVGIFLX-HNNXBMFYSA-N -1 3 323.417 4.064 20 0 DIADHM Cc1cc(CN(Cc2occc2[S-])Cc2ccccc2)on1 ZINC001237185321 1055394359 /nfs/dbraw/zinc/39/43/59/1055394359.db2.gz VZIOTLYXEFUYHL-UHFFFAOYSA-N -1 3 314.410 4.067 20 0 DIADHM [S-]c1ccoc1CN(Cc1ccccc1)Cc1cccnc1 ZINC001237179032 1055394741 /nfs/dbraw/zinc/39/47/41/1055394741.db2.gz OKWWEXVENISKGV-UHFFFAOYSA-N -1 3 310.422 4.166 20 0 DIADHM FC1(F)CN(Cc2occc2[S-])CC[C@@H]1c1ccccc1 ZINC001237186299 1055394894 /nfs/dbraw/zinc/39/48/94/1055394894.db2.gz LAVHEEICTDKUNT-CYBMUJFWSA-N -1 3 309.381 4.193 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2cc(F)ccc2F)c1 ZINC001237276343 1055415793 /nfs/dbraw/zinc/41/57/93/1055415793.db2.gz BMZVVGYCEWSVEG-QGZVFWFLSA-N -1 3 307.315 4.147 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1[O-] ZINC001588276965 1055462550 /nfs/dbraw/zinc/46/25/50/1055462550.db2.gz DWYQFMSIKHVYGP-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM Cc1cc(N(C)C)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471744651 1055466274 /nfs/dbraw/zinc/46/62/74/1055466274.db2.gz MYJIKLHRJCPSTQ-UHFFFAOYSA-N -1 3 320.392 4.172 20 0 DIADHM CCOc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471785917 1055482469 /nfs/dbraw/zinc/48/24/69/1055482469.db2.gz FZXDMOZIGIJTBX-UHFFFAOYSA-N -1 3 307.349 4.196 20 0 DIADHM Cc1cc(C)cc(N(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471790808 1055533217 /nfs/dbraw/zinc/53/32/17/1055533217.db2.gz SYJPEPSGXCZCEQ-UHFFFAOYSA-N -1 3 305.377 4.439 20 0 DIADHM COc1ccc([C@@H](C)N(C)Cc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001237994082 1055575674 /nfs/dbraw/zinc/57/56/74/1055575674.db2.gz BSOYFJTZYXRKIS-LLVKDONJSA-N -1 3 323.795 4.386 20 0 DIADHM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccccc1[O-] ZINC001595308560 1055583617 /nfs/dbraw/zinc/58/36/17/1055583617.db2.gz PCDSGBJPHYSJNA-UHFFFAOYSA-N -1 3 315.388 4.364 20 0 DIADHM [O-]c1cc(F)c(CN2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001238150476 1055614410 /nfs/dbraw/zinc/61/44/10/1055614410.db2.gz VVTNRZJCURZBQN-UHFFFAOYSA-N -1 3 315.791 4.289 20 0 DIADHM CC[C@H]1c2ccccc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238238010 1055626923 /nfs/dbraw/zinc/62/69/23/1055626923.db2.gz JSTJQCAPRGDIEV-SFHVURJKSA-N -1 3 313.372 4.033 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238234623 1055627359 /nfs/dbraw/zinc/62/73/59/1055627359.db2.gz DWEFLEHRORRRFY-UHFFFAOYSA-N -1 3 321.779 4.199 20 0 DIADHM O=C([O-])c1cc(F)ccc1CN1CCCC[C@H]1c1ccccc1 ZINC001238233860 1055627477 /nfs/dbraw/zinc/62/74/77/1055627477.db2.gz QWTARSYJZCNGEZ-SFHVURJKSA-N -1 3 313.372 4.251 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[O-] ZINC001538635606 1055679286 /nfs/dbraw/zinc/67/92/86/1055679286.db2.gz KBWXNYGOSSTFRL-UHFFFAOYSA-N -1 3 324.163 4.154 20 0 DIADHM CCc1cccc(C(=O)N2CCC(C)(c3ccccc3)CC2)c1[O-] ZINC001596351694 1055700567 /nfs/dbraw/zinc/70/05/67/1055700567.db2.gz DNQZMTYCJSFOGC-UHFFFAOYSA-N -1 3 323.436 4.149 20 0 DIADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001565740605 1055723973 /nfs/dbraw/zinc/72/39/73/1055723973.db2.gz GLBWPMPQGHHJPH-JGFGOQIWSA-N -1 3 315.800 4.173 20 0 DIADHM C[C@@H]1CC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)[C@@H](C)C1 ZINC001565759354 1055727106 /nfs/dbraw/zinc/72/71/06/1055727106.db2.gz YJVJOOXEXZSLEI-UHIISALHSA-N -1 3 303.427 4.161 20 0 DIADHM CC(C)c1ccc(C(=O)NC2(c3cccc(F)c3)CC2)c([O-])c1 ZINC001565846731 1055733802 /nfs/dbraw/zinc/73/38/02/1055733802.db2.gz HTYIERFQYRZECZ-UHFFFAOYSA-N -1 3 313.372 4.074 20 0 DIADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C(C)(C)c1ccccc1 ZINC001565908933 1055734572 /nfs/dbraw/zinc/73/45/72/1055734572.db2.gz LSQWFHIMTFLPEC-SFHVURJKSA-N -1 3 311.425 4.187 20 0 DIADHM O=C(CC[C@@H]1CCc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC001596974206 1055768218 /nfs/dbraw/zinc/76/82/18/1055768218.db2.gz PGQPABIEGGJFGA-ZDUSSCGKSA-N -1 3 315.800 4.494 20 0 DIADHM CCc1ccc(C(=O)N2CCCC[C@H]2CCC(C)C)c([O-])c1 ZINC001566396759 1055768873 /nfs/dbraw/zinc/76/88/73/1055768873.db2.gz ZHBNNTJEECELJY-INIZCTEOSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1ccc(C(=O)NCC(C)(C)C2CCCCC2)c([O-])c1 ZINC001566472878 1055774607 /nfs/dbraw/zinc/77/46/07/1055774607.db2.gz TWCPIDXVWQYCIB-UHFFFAOYSA-N -1 3 303.446 4.291 20 0 DIADHM COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1OC(C)C ZINC001238932558 1055794912 /nfs/dbraw/zinc/79/49/12/1055794912.db2.gz AITYRGCYTQUYIC-UHFFFAOYSA-N -1 3 313.422 4.445 20 0 DIADHM Cc1ccc(C)c(SCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001567232607 1055796302 /nfs/dbraw/zinc/79/63/02/1055796302.db2.gz WASQSPMKHGSDCB-UHFFFAOYSA-N -1 3 321.829 4.393 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCCc3sccc32)c([O-])c1 ZINC001567303798 1055797424 /nfs/dbraw/zinc/79/74/24/1055797424.db2.gz GXXLYWOOMAVLOY-HNNXBMFYSA-N -1 3 315.438 4.385 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H](C)c3ccccc32)c1[O-] ZINC001567385780 1055801550 /nfs/dbraw/zinc/80/15/50/1055801550.db2.gz RQZLMJCDCBXFRK-CQSZACIVSA-N -1 3 309.409 4.499 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)c([O-])c1 ZINC001567368756 1055802407 /nfs/dbraw/zinc/80/24/07/1055802407.db2.gz DJVUFNMDIYLUGF-OXJNMPFZSA-N -1 3 323.436 4.390 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(COC(C)C)cc2)c([O-])c1 ZINC001597317142 1055815281 /nfs/dbraw/zinc/81/52/81/1055815281.db2.gz BXMBDIYNYHEZTI-UHFFFAOYSA-N -1 3 313.397 4.132 20 0 DIADHM O=C(CCCc1ccc2c(c1)CCCC2)[N-]OC1CCCCC1 ZINC001567890027 1055824549 /nfs/dbraw/zinc/82/45/49/1055824549.db2.gz VYFQOCYMOZVZLA-UHFFFAOYSA-N -1 3 315.457 4.269 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc2cccc(F)c2o1 ZINC001569681768 1055868037 /nfs/dbraw/zinc/86/80/37/1055868037.db2.gz BECZZAMVXDUXOU-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM Cc1cccc2c(C(=O)Nc3c([O-])cccc3Cl)coc21 ZINC001569682351 1055869485 /nfs/dbraw/zinc/86/94/85/1055869485.db2.gz LCLBKKFRNYGBAU-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CCCCC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C(C)C ZINC001569924951 1055878034 /nfs/dbraw/zinc/87/80/34/1055878034.db2.gz KYASTNNOYSASAK-CQSZACIVSA-N -1 3 305.418 4.386 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1[O-] ZINC001597854561 1055884824 /nfs/dbraw/zinc/88/48/24/1055884824.db2.gz HMMZNLOCUVRNLB-UHFFFAOYSA-N -1 3 324.405 4.440 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])ccc2Cl)CC12CCCCC2 ZINC001570191574 1055890113 /nfs/dbraw/zinc/89/01/13/1055890113.db2.gz OLHPNQIACWZRQO-INIZCTEOSA-N -1 3 321.848 4.477 20 0 DIADHM CCN(C(=O)c1ccc(C)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC001570582028 1055909770 /nfs/dbraw/zinc/90/97/70/1055909770.db2.gz TXYRMJLDTVKMPS-UHFFFAOYSA-N -1 3 323.314 4.386 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1[O-] ZINC001598174702 1055921912 /nfs/dbraw/zinc/92/19/12/1055921912.db2.gz GXDFFAGCTCBWJR-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM O=C(O[C@H]1CCCc2cc(F)ccc21)c1cccc(Cl)c1[O-] ZINC001539992661 1055948930 /nfs/dbraw/zinc/94/89/30/1055948930.db2.gz JUNIPPBRSKQKNO-HNNXBMFYSA-N -1 3 320.747 4.419 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(C)c3ncccc23)c([O-])c1 ZINC001540034463 1055958272 /nfs/dbraw/zinc/95/82/72/1055958272.db2.gz UAUZBGMWDTURHV-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM O=c1ccn(-c2ccc(NCc3ccc4c(c3)CCCC4)cc2)[n-]1 ZINC001621026189 1055991151 /nfs/dbraw/zinc/99/11/51/1055991151.db2.gz ZWNUSOBCTUIPGD-UHFFFAOYSA-N -1 3 319.408 4.069 20 0 DIADHM Cc1csc(C(=O)[N-]c2cc(C(C)(C)F)on2)c1Cl ZINC001540234503 1055998600 /nfs/dbraw/zinc/99/86/00/1055998600.db2.gz KAACPHHQJAKHEN-UHFFFAOYSA-N -1 3 302.758 4.155 20 0 DIADHM O=C(Nc1ccccc1F)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540317768 1056015464 /nfs/dbraw/zinc/01/54/64/1056015464.db2.gz HCWLRALLKHJTBQ-UHFFFAOYSA-N -1 3 321.351 4.374 20 0 DIADHM CC1(C)CN(C(=O)c2cc3sccc3c([O-])c2)[C@@H]2CCC[C@@H]21 ZINC001603242582 1056021175 /nfs/dbraw/zinc/02/11/75/1056021175.db2.gz ROYJUWGXDUIDKK-UONOGXRCSA-N -1 3 315.438 4.258 20 0 DIADHM Cc1cc(C)cc(C2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC001603329867 1056023593 /nfs/dbraw/zinc/02/35/93/1056023593.db2.gz LHJDTLPAJKENOD-UHFFFAOYSA-N -1 3 309.409 4.029 20 0 DIADHM COc1ccc2c(c1)nccc2-c1ccc2c(c1)[N-]C(=S)C2 ZINC001239687532 1056028545 /nfs/dbraw/zinc/02/85/45/1056028545.db2.gz RFCVVSBLBICYPW-UHFFFAOYSA-N -1 3 306.390 4.206 20 0 DIADHM Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c(Cl)c1 ZINC001540428749 1056030378 /nfs/dbraw/zinc/03/03/78/1056030378.db2.gz NPNQAMFSMRWILA-UHFFFAOYSA-N -1 3 315.800 4.485 20 0 DIADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cc([O-])ccc1Cl ZINC001540702138 1056062256 /nfs/dbraw/zinc/06/22/56/1056062256.db2.gz HFGZHBKSXKCLPN-UHFFFAOYSA-N -1 3 317.816 4.406 20 0 DIADHM CCc1cccc(C(=O)N(CC)Cc2ccccc2Cl)c1[O-] ZINC001540717007 1056067280 /nfs/dbraw/zinc/06/72/80/1056067280.db2.gz SJPPMTBWRVIQQY-UHFFFAOYSA-N -1 3 317.816 4.270 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1[O-] ZINC001540763457 1056073976 /nfs/dbraw/zinc/07/39/76/1056073976.db2.gz KUNQGXYIEZNHJP-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM C[C@H]1CCC[C@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001583401958 1056075452 /nfs/dbraw/zinc/07/54/52/1056075452.db2.gz MWVOXMOZVAAAAY-RYUDHWBXSA-N -1 3 303.427 4.163 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCc2ccc(C(C)C)cc2)c1 ZINC001540795562 1056077880 /nfs/dbraw/zinc/07/78/80/1056077880.db2.gz DNIPLYJGORNROF-UHFFFAOYSA-N -1 3 315.438 4.168 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1 ZINC001540830347 1056082092 /nfs/dbraw/zinc/08/20/92/1056082092.db2.gz ADOSWPRPOOPVPJ-NOLJZWGESA-N -1 3 319.470 4.155 20 0 DIADHM Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)c([O-])c1 ZINC001540924733 1056086129 /nfs/dbraw/zinc/08/61/29/1056086129.db2.gz GQVRHWWEEWRZDB-QGZVFWFLSA-N -1 3 315.388 4.357 20 0 DIADHM CC(C)c1ccc(C(=O)N(C2CC2)C2CCCCC2)c([O-])c1 ZINC001542211256 1056110250 /nfs/dbraw/zinc/11/02/50/1056110250.db2.gz QSFJZHGXXGVZED-UHFFFAOYSA-N -1 3 301.430 4.453 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)c1 ZINC001542295713 1056115241 /nfs/dbraw/zinc/11/52/41/1056115241.db2.gz GGMFTICTEZHHCT-ZDUSSCGKSA-N -1 3 313.397 4.384 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001542504697 1056126816 /nfs/dbraw/zinc/12/68/16/1056126816.db2.gz HEPSSRBDRQGNCE-CWRNSKLLSA-N -1 3 303.446 4.139 20 0 DIADHM CSc1ccc([O-])c(C(=O)NC(C)(C)C2CCCCC2)c1 ZINC001542818391 1056158424 /nfs/dbraw/zinc/15/84/24/1056158424.db2.gz JRFWUGYMGGPXGL-UHFFFAOYSA-N -1 3 307.459 4.203 20 0 DIADHM Fc1ccc(-c2ccc(=S)[n-]n2)c(OCc2ccccc2)c1 ZINC001239977699 1056216187 /nfs/dbraw/zinc/21/61/87/1056216187.db2.gz CHRCUUCVQLRFHH-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM CCCN(CC1CCCCC1)C(=O)c1ccc(CC)cc1[O-] ZINC001543574877 1056255775 /nfs/dbraw/zinc/25/57/75/1056255775.db2.gz DAZUSMPXJBRMPU-UHFFFAOYSA-N -1 3 303.446 4.387 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cnc(F)c(C)c1 ZINC001584093841 1056260978 /nfs/dbraw/zinc/26/09/78/1056260978.db2.gz NVNPXOASBYJXEY-UHFFFAOYSA-N -1 3 308.353 4.033 20 0 DIADHM CCOc1c(Cl)cccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001543928091 1056326978 /nfs/dbraw/zinc/32/69/78/1056326978.db2.gz BGCFSSXYGWOETN-UHFFFAOYSA-N -1 3 319.788 4.313 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2C)c1 ZINC001626212966 1056352353 /nfs/dbraw/zinc/35/23/53/1056352353.db2.gz KPQYCNJUDIHVKG-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2OCC(C)C)c([O-])c1C ZINC001626213189 1056369572 /nfs/dbraw/zinc/36/95/72/1056369572.db2.gz PKWGNVMGBLLFLD-UHFFFAOYSA-N -1 3 313.397 4.296 20 0 DIADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000014255588 1056437400 /nfs/dbraw/zinc/43/74/00/1056437400.db2.gz DEHPVAUSHRCCJW-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014255455 1056437759 /nfs/dbraw/zinc/43/77/59/1056437759.db2.gz QFNNPSUUUPEHOY-UHFFFAOYSA-N -1 3 317.454 4.447 20 0 DIADHM O=C(O[C@@H](c1ccccc1)C(F)F)c1cccc(Cl)c1[O-] ZINC001544486903 1056441632 /nfs/dbraw/zinc/44/16/32/1056441632.db2.gz JPAFGCMRRDFUOS-ZDUSSCGKSA-N -1 3 312.699 4.209 20 0 DIADHM Cc1ccc(CSCc2cc(=O)oc3c(C)c([O-])ccc23)o1 ZINC001615012044 1056463376 /nfs/dbraw/zinc/46/33/76/1056463376.db2.gz IOSGRPHZEVDRJM-UHFFFAOYSA-N -1 3 316.378 4.142 20 0 DIADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H](C)c1cccnc1 ZINC000354434371 1056473515 /nfs/dbraw/zinc/47/35/15/1056473515.db2.gz OMFDAPAGPSFLBA-AWEZNQCLSA-N -1 3 320.392 4.164 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2OCC(C)C)c1 ZINC001544759609 1056495835 /nfs/dbraw/zinc/49/58/35/1056495835.db2.gz 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CCOC(=O)c1cc2c(ccc(-c3ccc([O-])c(F)c3)c2C)o1 ZINC001240788017 1056699973 /nfs/dbraw/zinc/69/99/73/1056699973.db2.gz WVDRFGXAPOKAMG-UHFFFAOYSA-N -1 3 314.312 4.430 20 0 DIADHM Cc1csc2[n-]c(COc3ccc4ccccc4c3)nc(=O)c12 ZINC000077251590 1056715520 /nfs/dbraw/zinc/71/55/20/1056715520.db2.gz VBNBUAKJROXREU-UHFFFAOYSA-N -1 3 322.389 4.025 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2C)c1[O-] ZINC001586355228 1056720613 /nfs/dbraw/zinc/72/06/13/1056720613.db2.gz LDFNIGRPZDWMCO-SFHVURJKSA-N -1 3 323.436 4.110 20 0 DIADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001212477582 1056776092 /nfs/dbraw/zinc/77/60/92/1056776092.db2.gz IRYPMGFBDVZMKN-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Cc1onc(-c2cccs2)c1C(=O)[N-]c1cc(C(C)C)on1 ZINC001586726418 1056792998 /nfs/dbraw/zinc/79/29/98/1056792998.db2.gz ASGBKIZQYTYYCA-UHFFFAOYSA-N -1 3 317.370 4.075 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc2ccccc2c1 ZINC001586787537 1056805906 /nfs/dbraw/zinc/80/59/06/1056805906.db2.gz 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/nfs/dbraw/zinc/84/02/77/1056840277.db2.gz JWOLXSHNPPUQTC-UHFFFAOYSA-N -1 3 310.303 4.350 20 0 DIADHM [O-]c1cc(F)c(-c2ccc3[nH]c(C(F)(F)F)nc3c2)c(F)c1 ZINC001241121731 1056906114 /nfs/dbraw/zinc/90/61/14/1056906114.db2.gz DTKXHJAXTCMNKF-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CCc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001618071147 1056919743 /nfs/dbraw/zinc/91/97/43/1056919743.db2.gz JRUUMZXAMKXSCY-UHFFFAOYSA-N -1 3 311.425 4.051 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N(CC1CC1)CC1CCC1 ZINC000478609492 1056922782 /nfs/dbraw/zinc/92/27/82/1056922782.db2.gz KXVUHHJQJSPQST-UHFFFAOYSA-N -1 3 309.409 4.198 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000067145652 1056924022 /nfs/dbraw/zinc/92/40/22/1056924022.db2.gz AEUOQTBTNNANHL-IUCAKERBSA-N -1 3 321.726 4.353 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000067145653 1056924154 /nfs/dbraw/zinc/92/41/54/1056924154.db2.gz AEUOQTBTNNANHL-RKDXNWHRSA-N -1 3 321.726 4.353 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001618180087 1056929624 /nfs/dbraw/zinc/92/96/24/1056929624.db2.gz FJQQSIGIYCZIBS-ZDUSSCGKSA-N -1 3 321.376 4.045 20 0 DIADHM CCC(CC)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001618269290 1056942420 /nfs/dbraw/zinc/94/24/20/1056942420.db2.gz VMSPLKKOEFFSEB-UHFFFAOYSA-N -1 3 311.425 4.096 20 0 DIADHM CCOc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1F ZINC001241179546 1056948149 /nfs/dbraw/zinc/94/81/49/1056948149.db2.gz JELOGBKZGLBTJG-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM [O-]c1cc(F)cc(-c2ncnc3cc(C(F)(F)F)ccc32)c1 ZINC001241257560 1056983192 /nfs/dbraw/zinc/98/31/92/1056983192.db2.gz LGRWPQPRULIHBL-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1cc(F)cc(-c2cc(SCc3ccccc3)ncn2)c1 ZINC001241261729 1056985232 /nfs/dbraw/zinc/98/52/32/1056985232.db2.gz PAIQDIYTWVCOQP-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM CCOc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C)c1 ZINC001241269977 1056989135 /nfs/dbraw/zinc/98/91/35/1056989135.db2.gz LQEALOADDRNQHC-UHFFFAOYSA-N 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302.326 4.200 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1cccc([O-])c1F ZINC001243546643 1057709541 /nfs/dbraw/zinc/70/95/41/1057709541.db2.gz BLFTYCHVZZIEQH-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2cccc([O-])c2F)c1 ZINC001243545991 1057709728 /nfs/dbraw/zinc/70/97/28/1057709728.db2.gz STHXNQZEUJSUBQ-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM C[C@@H]1CCc2c(sc3ncnc(-c4cccc([O-])c4F)c23)C1 ZINC001243543718 1057709751 /nfs/dbraw/zinc/70/97/51/1057709751.db2.gz PAQQBGALQOQRES-SECBINFHSA-N -1 3 314.385 4.328 20 0 DIADHM CSc1ccc(Cl)cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001243609355 1057732481 /nfs/dbraw/zinc/73/24/81/1057732481.db2.gz KEPDIJRKVGYOHU-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(Cl)cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001243609355 1057732484 /nfs/dbraw/zinc/73/24/84/1057732484.db2.gz KEPDIJRKVGYOHU-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM COCc1ccc(-c2ccc(C(F)(F)F)cc2[O-])c(F)c1 ZINC001243610948 1057733327 /nfs/dbraw/zinc/73/33/27/1057733327.db2.gz 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/nfs/dbraw/zinc/86/86/79/1057868679.db2.gz QMKQZBMTCHSPHV-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cc1cc2cc[nH]c2c(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244456363 1057963187 /nfs/dbraw/zinc/96/31/87/1057963187.db2.gz FHAIXIHPNWPDPP-UHFFFAOYSA-N -1 3 308.259 4.143 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2c1CCCCC2 ZINC001244459001 1057963956 /nfs/dbraw/zinc/96/39/56/1057963956.db2.gz XJWLXJUNLVEJRN-UHFFFAOYSA-N -1 3 324.302 4.017 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncccc1-n1cccc1 ZINC001244457511 1057964022 /nfs/dbraw/zinc/96/40/22/1057964022.db2.gz NNPLQGQYVXVVGA-UHFFFAOYSA-N -1 3 320.270 4.144 20 0 DIADHM CC(C)(C)NC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469149 1057968050 /nfs/dbraw/zinc/96/80/50/1057968050.db2.gz CKWMMUMLJGSJQR-UHFFFAOYSA-N -1 3 303.789 4.241 20 0 DIADHM CCN(CC)C(=O)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244469099 1057968072 /nfs/dbraw/zinc/96/80/72/1057968072.db2.gz AKQXBUQBVIMCSL-UHFFFAOYSA-N -1 3 303.789 4.195 20 0 DIADHM COC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c2ncccc12 ZINC001244469558 1057968227 /nfs/dbraw/zinc/96/82/27/1057968227.db2.gz NBKKIBJKXOZOPG-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc(-c2c[nH]c(=S)[nH]2)cc1 ZINC001244469766 1057968423 /nfs/dbraw/zinc/96/84/23/1057968423.db2.gz RZLAACQKOQKCRX-UHFFFAOYSA-N -1 3 302.786 4.391 20 0 DIADHM COC(=O)c1nccc2c1cccc2-c1ccc(Cl)cc1[O-] ZINC001244471771 1057968776 /nfs/dbraw/zinc/96/87/76/1057968776.db2.gz HRBGQLXTSWTDQQ-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc(OCc2ccncc2)nc1 ZINC001244471912 1057969245 /nfs/dbraw/zinc/96/92/45/1057969245.db2.gz GPZVKBPAZIKTFG-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM CC[C@@H](C(=O)OC)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244472498 1057969266 /nfs/dbraw/zinc/96/92/66/1057969266.db2.gz OBHFYJJDZZEHRQ-CQSZACIVSA-N -1 3 304.773 4.379 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc(OCc2cccnc2)nc1 ZINC001244472924 1057969280 /nfs/dbraw/zinc/96/92/80/1057969280.db2.gz UDFVTESFZIDBSY-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM CCOC(=O)CCc1ccc(-c2ccc(Cl)cc2[O-])c(F)c1 ZINC001244472008 1057969569 /nfs/dbraw/zinc/96/95/69/1057969569.db2.gz JVFBOTJHRFHSBG-UHFFFAOYSA-N -1 3 322.763 4.347 20 0 DIADHM CC[C@H](C(=O)OC)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244472497 1057969598 /nfs/dbraw/zinc/96/95/98/1057969598.db2.gz OBHFYJJDZZEHRQ-AWEZNQCLSA-N -1 3 304.773 4.379 20 0 DIADHM C=C(C(=O)OCC)c1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244473648 1057969799 /nfs/dbraw/zinc/96/97/99/1057969799.db2.gz ZPIFKFCVYZZSMT-UHFFFAOYSA-N -1 3 302.757 4.289 20 0 DIADHM CC1(C)CC(=O)Nc2cc(-c3ccc(Cl)cc3[O-])ccc21 ZINC001244473897 1057970198 /nfs/dbraw/zinc/97/01/98/1057970198.db2.gz ZWBCOMYROMFZEA-UHFFFAOYSA-N -1 3 301.773 4.332 20 0 DIADHM Cc1cc(OCc2ccccc2)nc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244507438 1057980542 /nfs/dbraw/zinc/98/05/42/1057980542.db2.gz KOKZUMCPHJQXOD-UHFFFAOYSA-N -1 3 324.355 4.184 20 0 DIADHM Cc1cc(-c2cncc(-c3nc4ccccc4[nH]3)c2)cc([O-])c1F ZINC001244519970 1057984595 /nfs/dbraw/zinc/98/45/95/1057984595.db2.gz HZLCBXZYOKYCCW-UHFFFAOYSA-N -1 3 319.339 4.445 20 0 DIADHM COC(=O)CCc1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244537731 1057989596 /nfs/dbraw/zinc/98/95/96/1057989596.db2.gz DCOIQJOANSYMHT-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM Cc1cc(-c2ccc(N3CSCC3=O)cc2)cc(Cl)c1[O-] ZINC001244546062 1057992703 /nfs/dbraw/zinc/99/27/03/1057992703.db2.gz DQHVBSWAKIBBTN-UHFFFAOYSA-N -1 3 319.813 4.058 20 0 DIADHM COC(=O)c1c(F)ccc(-c2cc(C)c([O-])c(Cl)c2)c1F ZINC001244546113 1057993259 /nfs/dbraw/zinc/99/32/59/1057993259.db2.gz DZOZETGALGFPJU-UHFFFAOYSA-N -1 3 312.699 4.086 20 0 DIADHM COC(=O)c1cc(F)c(C)c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244550699 1057993821 /nfs/dbraw/zinc/99/38/21/1057993821.db2.gz ISQXJJYWVDXISV-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM Cc1cc(-c2ccc([C@@H]3CCCNC3=O)cc2)cc(Cl)c1[O-] ZINC001244553716 1057994500 /nfs/dbraw/zinc/99/45/00/1057994500.db2.gz IASCFKOGENLBBU-HNNXBMFYSA-N -1 3 315.800 4.015 20 0 DIADHM Cc1cc(-c2cccc3c2CCC32OCCO2)cc(Cl)c1[O-] ZINC001244556751 1057995115 /nfs/dbraw/zinc/99/51/15/1057995115.db2.gz WTGKKJPYRKFYRJ-UHFFFAOYSA-N -1 3 316.784 4.167 20 0 DIADHM CSc1cc(-c2ccc(=S)[n-]n2)ccc1C(F)(F)F ZINC001244850130 1058058320 /nfs/dbraw/zinc/05/83/20/1058058320.db2.gz WETAXTZZCMVHAE-UHFFFAOYSA-N -1 3 302.346 4.173 20 0 DIADHM Fc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c2occc21 ZINC001244930060 1058074033 /nfs/dbraw/zinc/07/40/33/1058074033.db2.gz JZHZATYWPAMXFI-UHFFFAOYSA-N -1 3 314.263 4.336 20 0 DIADHM CCOC(=O)c1ccc(-c2cc(Cl)ccc2[O-])c(OCC)c1 ZINC001245050592 1058103554 /nfs/dbraw/zinc/10/35/54/1058103554.db2.gz JTPGCRUMVLKBHB-UHFFFAOYSA-N -1 3 320.772 4.288 20 0 DIADHM [O-]c1ccc(-c2cc(OCc3ccccc3)ncn2)c(Cl)c1 ZINC001245079587 1058107485 /nfs/dbraw/zinc/10/74/85/1058107485.db2.gz QXPOZLSRNZSNMT-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM COc1ccc(-c2ccnc(-c3ccc([O-])cc3Cl)n2)cc1 ZINC001245078547 1058107555 /nfs/dbraw/zinc/10/75/55/1058107555.db2.gz PMUXNSHRFGTPDT-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COC(=O)c1cc2ccccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245078372 1058107571 /nfs/dbraw/zinc/10/75/71/1058107571.db2.gz HMTVEUJAGHGMKH-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CCCN(CCC)c1cc(-c2ccc([O-])cc2Cl)ncn1 ZINC001245079493 1058107642 /nfs/dbraw/zinc/10/76/42/1058107642.db2.gz UCHQTJILHIACEP-UHFFFAOYSA-N -1 3 305.809 4.129 20 0 DIADHM COC(=O)c1ccc2cc(-c3ccc([O-])cc3Cl)ncc2c1 ZINC001245077682 1058107680 /nfs/dbraw/zinc/10/76/80/1058107680.db2.gz ACRWQSZCOMWCAO-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1ccc(-c2cncc(Oc3cccc(F)c3)n2)c(Cl)c1 ZINC001245079498 1058107892 /nfs/dbraw/zinc/10/78/92/1058107892.db2.gz UIYYALGUMNKEQN-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM [O-]c1ccc(-c2cncc(OCc3ccccc3)n2)c(Cl)c1 ZINC001245081219 1058108275 /nfs/dbraw/zinc/10/82/75/1058108275.db2.gz COQVDWHXSCBZHM-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM COc1cc(C(F)(F)F)cc(-c2ccc([O-])cc2Cl)n1 ZINC001245082717 1058109220 /nfs/dbraw/zinc/10/92/20/1058109220.db2.gz ZKOXRPQDEQMUBW-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC001545049803 1058175616 /nfs/dbraw/zinc/17/56/16/1058175616.db2.gz KLZVZFPPHCNBKS-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM C[C@H](NC(=S)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC001245519360 1058195806 /nfs/dbraw/zinc/19/58/06/1058195806.db2.gz RVSHCGFERJGLTI-JTQLQIEISA-N -1 3 306.818 4.093 20 0 DIADHM Fc1ccc2cc(-c3cc(C(F)(F)F)[n-]c(=S)n3)[nH]c2c1 ZINC001245587182 1058257909 /nfs/dbraw/zinc/25/79/09/1058257909.db2.gz YUHVUWQSIOJICO-UHFFFAOYSA-N -1 3 313.279 4.072 20 0 DIADHM FC(F)(F)c1cc(-c2ccc(-c3ncco3)cc2)nc(=S)[n-]1 ZINC001245618906 1058289917 /nfs/dbraw/zinc/28/99/17/1058289917.db2.gz SRUQMVYHDYJXJD-UHFFFAOYSA-N -1 3 323.299 4.106 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657656 1058312660 /nfs/dbraw/zinc/31/26/60/1058312660.db2.gz QKNORKXVWZWOPD-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001245656656 1058312925 /nfs/dbraw/zinc/31/29/25/1058312925.db2.gz YVBZTZUADHOIRC-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2c([O-])cccc2F)c1 ZINC001245655754 1058313438 /nfs/dbraw/zinc/31/34/38/1058313438.db2.gz LVJMQPRAIDWYMV-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3c([O-])cccc3F)cc12 ZINC001245656987 1058313744 /nfs/dbraw/zinc/31/37/44/1058313744.db2.gz XDHGTZGMJASAHD-UHFFFAOYSA-N -1 3 314.312 4.050 20 0 DIADHM [O-]c1cccc(F)c1-c1ccnc(OCc2ccccc2F)c1 ZINC001245653896 1058315490 /nfs/dbraw/zinc/31/54/90/1058315490.db2.gz GXPXGWDDMPBASO-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1csc(Cl)n1 ZINC001528377182 1058405015 /nfs/dbraw/zinc/40/50/15/1058405015.db2.gz JTSXBPBGXFAIAS-UHFFFAOYSA-N -1 3 319.238 4.424 20 0 DIADHM CSc1c(Cl)cccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001245777472 1058464890 /nfs/dbraw/zinc/46/48/90/1058464890.db2.gz VRFXZSVIJRQSKF-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1c(Cl)cccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001245777472 1058464893 /nfs/dbraw/zinc/46/48/93/1058464893.db2.gz VRFXZSVIJRQSKF-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(-c3ccccc3)cnc2C)c1[O-] ZINC001556095553 1058540640 /nfs/dbraw/zinc/54/06/40/1058540640.db2.gz YNFULHZHLLBCRO-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082037 1058542610 /nfs/dbraw/zinc/54/26/10/1058542610.db2.gz WYYYZKBOTZUZRY-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1Cl ZINC001245847712 1058552593 /nfs/dbraw/zinc/55/25/93/1058552593.db2.gz XKVCMUMQDBRDMD-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCC(C)(C)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001556484079 1058598904 /nfs/dbraw/zinc/59/89/04/1058598904.db2.gz NDDKAAAWBPFQDK-UHFFFAOYSA-N -1 3 315.388 4.400 20 0 DIADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)c1[O-] ZINC001556529615 1058608051 /nfs/dbraw/zinc/60/80/51/1058608051.db2.gz OUEIIDIIPJCMKB-RDTXWAMCSA-N -1 3 309.409 4.178 20 0 DIADHM O=C(Nc1nccc2ccccc21)c1cc2c(cc1[O-])CCCC2 ZINC001556598963 1058617598 /nfs/dbraw/zinc/61/75/98/1058617598.db2.gz CCQYCCNVEHJGCP-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM CCC(C)(C)C1CCC(CC(=O)[N-]OCCOC(C)C)CC1 ZINC001556738957 1058635694 /nfs/dbraw/zinc/63/56/94/1058635694.db2.gz YCKAMENCTSEOMU-UHFFFAOYSA-N -1 3 313.482 4.092 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001556803943 1058645874 /nfs/dbraw/zinc/64/58/74/1058645874.db2.gz OSSUQEIZQKCKBS-HNNXBMFYSA-N -1 3 321.461 4.237 20 0 DIADHM CCc1ccc(C(=O)N2CCC(C)(CC(C)C)CC2)c([O-])c1 ZINC001556889285 1058664902 /nfs/dbraw/zinc/66/49/02/1058664902.db2.gz FEPWVQCUPRCKNS-UHFFFAOYSA-N -1 3 303.446 4.243 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCC(C)(C)C2)c([O-])c1 ZINC001557039620 1058689029 /nfs/dbraw/zinc/68/90/29/1058689029.db2.gz BUNVTQAZUWFOLK-CQSZACIVSA-N -1 3 303.446 4.462 20 0 DIADHM CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC=CC1 ZINC001557297483 1058730506 /nfs/dbraw/zinc/73/05/06/1058730506.db2.gz MSLPQOOWQGDOKF-UHFFFAOYSA-N -1 3 309.365 4.023 20 0 DIADHM O=C([N-]c1cc(C(F)F)ccc1F)c1conc1C(F)(F)F ZINC001557362620 1058739541 /nfs/dbraw/zinc/73/95/41/1058739541.db2.gz AVFIYOBYWWOUAJ-UHFFFAOYSA-N -1 3 324.180 4.022 20 0 DIADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC001557405740 1058744442 /nfs/dbraw/zinc/74/44/42/1058744442.db2.gz GLIHICRSJVILTK-UHFFFAOYSA-N -1 3 319.404 4.253 20 0 DIADHM O=C(Nc1cncc2c1CCCC2)c1cc2sccc2c([O-])c1 ZINC001557484731 1058756899 /nfs/dbraw/zinc/75/68/99/1058756899.db2.gz VQDXBXAKLRDEGE-UHFFFAOYSA-N -1 3 324.405 4.133 20 0 DIADHM Cc1ccc2oc(CNC(=O)c3cc([O-])ccc3Cl)cc2c1 ZINC001557511782 1058760780 /nfs/dbraw/zinc/76/07/80/1058760780.db2.gz BDWIJNNRECQODR-UHFFFAOYSA-N -1 3 315.756 4.030 20 0 DIADHM CCCN(Cc1ccccc1F)C(=O)c1cccc(CC)c1[O-] ZINC001557515851 1058762436 /nfs/dbraw/zinc/76/24/36/1058762436.db2.gz YQJUIAHHOKPGQP-UHFFFAOYSA-N -1 3 315.388 4.146 20 0 DIADHM CCCCCC[C@H](CC)CN(C)C(=O)c1ccc(OC)cc1[O-] ZINC001557650470 1058782059 /nfs/dbraw/zinc/78/20/59/1058782059.db2.gz ZEDTYDZIYRVKLD-HNNXBMFYSA-N -1 3 321.461 4.469 20 0 DIADHM CCCCCC[C@H](CC)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC001557649855 1058783105 /nfs/dbraw/zinc/78/31/05/1058783105.db2.gz RDSRTOZDDRUHHK-AWEZNQCLSA-N -1 3 307.434 4.166 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2ccccc2[O-])CC12CCCCCC2 ZINC001557968582 1058822369 /nfs/dbraw/zinc/82/23/69/1058822369.db2.gz JDIMQBRCSAUQNV-KRWDZBQOSA-N -1 3 301.430 4.213 20 0 DIADHM Cc1ccc(C)c(C2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC001558701518 1058900820 /nfs/dbraw/zinc/90/08/20/1058900820.db2.gz XYIZSMWCZSLRBS-UHFFFAOYSA-N -1 3 309.409 4.029 20 0 DIADHM CCCCCC[C@H](CC)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001558948086 1058926583 /nfs/dbraw/zinc/92/65/83/1058926583.db2.gz QMKSJFVMUCTWOB-ZDUSSCGKSA-N -1 3 318.421 4.308 20 0 DIADHM O=c1cc(CSCCCCc2ccccc2)nc(C2CC2)[n-]1 ZINC001559399411 1059207709 /nfs/dbraw/zinc/20/77/09/1059207709.db2.gz GOWRHDUDGVZFAP-UHFFFAOYSA-N -1 3 314.454 4.316 20 0 DIADHM O=C(Oc1ccc(OC2CCC2)cc1)c1cccc(Cl)c1[O-] ZINC001531237572 1059262858 /nfs/dbraw/zinc/26/28/58/1059262858.db2.gz OHNYIBKVKCTDAH-UHFFFAOYSA-N -1 3 318.756 4.196 20 0 DIADHM O=C([N-]c1ncc(Cl)cc1Cl)c1c(F)ccc(F)c1F ZINC001532009492 1059490901 /nfs/dbraw/zinc/49/09/01/1059490901.db2.gz KRLSYPYAFXGWLA-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM [O-]c1ccc(Cc2nc(-c3ccc4ccccc4c3)no2)cc1F ZINC001247564816 1059548295 /nfs/dbraw/zinc/54/82/95/1059548295.db2.gz NDMKBQDSRCRKKR-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1cc(Cl)ccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247565643 1059549598 /nfs/dbraw/zinc/54/95/98/1059549598.db2.gz ZVLHPGAULVVWHA-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1cc2nc(C)ccc2o1 ZINC001532198457 1059553183 /nfs/dbraw/zinc/55/31/83/1059553183.db2.gz OASAMFVBMCCRPG-UHFFFAOYSA-N -1 3 316.357 4.250 20 0 DIADHM O=C(O[C@H](C1CCCC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC001532321228 1059589362 /nfs/dbraw/zinc/58/93/62/1059589362.db2.gz YAHTUFSKXUFCKH-GFCCVEGCSA-N -1 3 322.710 4.324 20 0 DIADHM Cc1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)c(Cl)c1 ZINC001248141920 1059739218 /nfs/dbraw/zinc/73/92/18/1059739218.db2.gz HAOXRNWUBANTRM-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CCc1cccc(CC)c1NC(=S)Nc1c([O-])cccc1F ZINC001248668968 1059928174 /nfs/dbraw/zinc/92/81/74/1059928174.db2.gz WYJVOWQWIJQZDA-UHFFFAOYSA-N -1 3 318.417 4.465 20 0 DIADHM CCCc1cccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001560551838 1060360384 /nfs/dbraw/zinc/36/03/84/1060360384.db2.gz HQHPIAWOFTWMBT-UHFFFAOYSA-N -1 3 307.397 4.143 20 0 DIADHM CC(C)Oc1cc(F)c(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001249775836 1060393696 /nfs/dbraw/zinc/39/36/96/1060393696.db2.gz GCKKAOIOBWYKKA-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM CC(C)Oc1cc(F)c(Nc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001249778823 1060395593 /nfs/dbraw/zinc/39/55/93/1060395593.db2.gz MINNHEHVGSUZHG-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM CC(C)Oc1cc(F)c(Nc2cc(F)c(F)cc2[O-])c(F)c1 ZINC001249779323 1060398446 /nfs/dbraw/zinc/39/84/46/1060398446.db2.gz YONPURODYOQTKW-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM Cc1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)cc1C ZINC001560635951 1060452965 /nfs/dbraw/zinc/45/29/65/1060452965.db2.gz RDASOUZQQMIQAW-UHFFFAOYSA-N -1 3 317.379 4.452 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1cc2c(cccc2Cl)s1 ZINC001527201280 1060464028 /nfs/dbraw/zinc/46/40/28/1060464028.db2.gz VIRNVONUGXPNLT-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM [O-]c1cc(F)c(Nc2ccnc(Br)c2)cc1Cl ZINC001250020077 1060545348 /nfs/dbraw/zinc/54/53/48/1060545348.db2.gz CMZAESIOSCQWRD-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1nc2c(Nc3cc(Cl)c([O-])cc3F)cccn2c1C ZINC001250022722 1060547884 /nfs/dbraw/zinc/54/78/84/1060547884.db2.gz UCQUSAHEHJJBFP-UHFFFAOYSA-N -1 3 305.740 4.193 20 0 DIADHM COc1c(Cl)ccc(F)c1Nc1c(F)cc([O-])cc1F ZINC001250105151 1060610850 /nfs/dbraw/zinc/61/08/50/1060610850.db2.gz CNYOFNFNVLAQKX-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM COc1c(Cl)ccc(F)c1Nc1ccc([O-])c(F)c1F ZINC001250102425 1060611173 /nfs/dbraw/zinc/61/11/73/1060611173.db2.gz LMSLKNQAGUBKQD-UHFFFAOYSA-N 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1061437300 /nfs/dbraw/zinc/43/73/00/1061437300.db2.gz SAZQAQNAUNDTSW-UHFFFAOYSA-N -1 3 321.417 4.232 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)c1 ZINC001457366450 1061443272 /nfs/dbraw/zinc/44/32/72/1061443272.db2.gz OKGZHZNPJDNSOY-NSHDSACASA-N -1 3 315.800 4.199 20 0 DIADHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(C(C)C)on1 ZINC001463509433 1061490894 /nfs/dbraw/zinc/49/08/94/1061490894.db2.gz BQIMRDKEJDQKHI-UHFFFAOYSA-N -1 3 311.341 4.014 20 0 DIADHM CC(=CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C(C)(C)C ZINC001457781104 1061501025 /nfs/dbraw/zinc/50/10/25/1061501025.db2.gz RRYIKFKTCIOYIG-PKNBQFBNSA-N -1 3 324.384 4.149 20 0 DIADHM C/C(=C\C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(C)(C)C ZINC001457781104 1061501040 /nfs/dbraw/zinc/50/10/40/1061501040.db2.gz RRYIKFKTCIOYIG-PKNBQFBNSA-N -1 3 324.384 4.149 20 0 DIADHM Cc1c2[nH]c(-c3cc([O-])c(Cl)c(F)c3F)nc2ccc1F ZINC001251865459 1061516537 /nfs/dbraw/zinc/51/65/37/1061516537.db2.gz OPRBNULWEHCDIC-UHFFFAOYSA-N -1 3 312.678 4.315 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)cs1 ZINC001463798701 1061520742 /nfs/dbraw/zinc/52/07/42/1061520742.db2.gz IAIRDNJFBCLPPQ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C)c3ncccc23)c([O-])c1C ZINC001463914277 1061534448 /nfs/dbraw/zinc/53/44/48/1061534448.db2.gz ANWQOHPNJLXHBM-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c([O-])c1 ZINC001463938832 1061536306 /nfs/dbraw/zinc/53/63/06/1061536306.db2.gz TWMLJAZPGXTAJS-UHFFFAOYSA-N -1 3 309.409 4.157 20 0 DIADHM CC1=C(C)C[C@H](C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC001464138160 1061558525 /nfs/dbraw/zinc/55/85/25/1061558525.db2.gz PEASABQCQMMFQW-LLVKDONJSA-N -1 3 324.218 4.230 20 0 DIADHM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1[O-] ZINC001464159324 1061560274 /nfs/dbraw/zinc/56/02/74/1061560274.db2.gz RLVCIZFCQWJKCB-LJQANCHMSA-N -1 3 321.351 4.051 20 0 DIADHM CC(=O)c1ccc(C(=O)N(C)c2cccc3ccccc32)cc1[O-] ZINC001464473968 1061597314 /nfs/dbraw/zinc/59/73/14/1061597314.db2.gz QAAOFEWRSWOWHC-UHFFFAOYSA-N -1 3 319.360 4.025 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252181246 1061605793 /nfs/dbraw/zinc/60/57/93/1061605793.db2.gz XLJBDKPLQDTQKD-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)ccc2C)cc1 ZINC001252189825 1061606946 /nfs/dbraw/zinc/60/69/46/1061606946.db2.gz HJFIJCCRXWHIFM-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CCC[C@@H](CC)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001464640299 1061616697 /nfs/dbraw/zinc/61/66/97/1061616697.db2.gz GCFGRUNJHDWJJA-QGZVFWFLSA-N -1 3 311.425 4.292 20 0 DIADHM C[C@@H]1CCC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464987649 1061660467 /nfs/dbraw/zinc/66/04/67/1061660467.db2.gz UHBDLKWWHONADW-CXAGYDPISA-N -1 3 311.381 4.103 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC001252715747 1061702014 /nfs/dbraw/zinc/70/20/14/1061702014.db2.gz QMJYDQPLGQFRNZ-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CCSc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001465211575 1061711087 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Cc1cc(O)cc([O-])c1-c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001252849018 1061741807 /nfs/dbraw/zinc/74/18/07/1061741807.db2.gz XLGGMLXRIMBNBR-UHFFFAOYSA-N -1 3 324.380 4.421 20 0 DIADHM O=S(=O)(/C=C/c1ccccc1)[N-]c1cc2c(s1)CCCC2 ZINC001252969059 1061766675 /nfs/dbraw/zinc/76/66/75/1061766675.db2.gz SDAUMPCIOKLJEH-ZHACJKMWSA-N -1 3 319.451 4.040 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001465542649 1061775360 /nfs/dbraw/zinc/77/53/60/1061775360.db2.gz FSVMPNQADFIULM-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1 ZINC001465598220 1061783644 /nfs/dbraw/zinc/78/36/44/1061783644.db2.gz MEZPCHPSLWJIHN-STQMWFEESA-N -1 3 315.438 4.036 20 0 DIADHM CCCCC[C@@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001466009216 1061861033 /nfs/dbraw/zinc/86/10/33/1061861033.db2.gz LSEPKRCANPFRIX-CYBMUJFWSA-N -1 3 307.459 4.299 20 0 DIADHM CC(C)Sc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001466052619 1061864898 /nfs/dbraw/zinc/86/48/98/1061864898.db2.gz UYEYXLRIROJZKR-UHFFFAOYSA-N -1 3 319.401 4.213 20 0 DIADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc([O-])c1F ZINC001466117434 1061878243 /nfs/dbraw/zinc/87/82/43/1061878243.db2.gz KGXWIWCGGLRTOW-UHFFFAOYSA-N -1 3 321.779 4.392 20 0 DIADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC001466118621 1061880085 /nfs/dbraw/zinc/88/00/85/1061880085.db2.gz MTSDZNZGOQZXJG-LJQANCHMSA-N -1 3 315.388 4.375 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC001466220719 1061897555 /nfs/dbraw/zinc/89/75/55/1061897555.db2.gz DYMNSUZKYBZHIS-UHFFFAOYSA-N -1 3 313.397 4.210 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nnc(Cc2ccccc2)o1 ZINC001253495464 1061905954 /nfs/dbraw/zinc/90/59/54/1061905954.db2.gz HWOBWLANZLLAPB-UHFFFAOYSA-N -1 3 302.333 4.186 20 0 DIADHM Cc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1Cl ZINC001466257523 1061906780 /nfs/dbraw/zinc/90/67/80/1061906780.db2.gz FQIZQMDOQQTPEV-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM CCCCN(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001466631328 1061977553 /nfs/dbraw/zinc/97/75/53/1061977553.db2.gz KCPZLTJQWATLFI-UHFFFAOYSA-N -1 3 316.376 4.020 20 0 DIADHM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001466735753 1061994474 /nfs/dbraw/zinc/99/44/74/1061994474.db2.gz BKLBFEDLPCHBFP-CYBMUJFWSA-N -1 3 313.372 4.004 20 0 DIADHM C[C@@H]1C[C@H](CC(=O)[N-]OCc2ccc(F)cc2)CC(C)(C)C1 ZINC001466782022 1062005430 /nfs/dbraw/zinc/00/54/30/1062005430.db2.gz QPOOUOOMDQFSJB-UKRRQHHQSA-N -1 3 307.409 4.226 20 0 DIADHM Cc1c([O-])cc(-c2nnc(Cc3ccccc3Cl)o2)cc1F ZINC001254403638 1062094669 /nfs/dbraw/zinc/09/46/69/1062094669.db2.gz YQPHLNZGBLQZTD-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc(Cc3cccc(Cl)c3)o2)c1 ZINC001254414917 1062095959 /nfs/dbraw/zinc/09/59/59/1062095959.db2.gz CAWHROMTOFZOSV-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccccc1C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001474425964 1062096634 /nfs/dbraw/zinc/09/66/34/1062096634.db2.gz QMSCMGSMBNDTJS-UHFFFAOYSA-N -1 3 317.379 4.358 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2O)c([O-])c1 ZINC001467285807 1062100775 /nfs/dbraw/zinc/10/07/75/1062100775.db2.gz IUZCOKPVHVWOHR-UHFFFAOYSA-N -1 3 313.397 4.210 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CC12CCCCC2 ZINC001467323731 1062106932 /nfs/dbraw/zinc/10/69/32/1062106932.db2.gz MDTOYMCLYOEYDZ-CYBMUJFWSA-N -1 3 321.848 4.478 20 0 DIADHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc([O-])c2ccccc2c1 ZINC001467576974 1062149284 /nfs/dbraw/zinc/14/92/84/1062149284.db2.gz WNAJVISEKHNLMF-ZWKOTPCHSA-N -1 3 309.409 4.244 20 0 DIADHM CCOc1ccc(Cl)c(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC001468242785 1062285949 /nfs/dbraw/zinc/28/59/49/1062285949.db2.gz AJBRAVOJQXVCNG-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CC(C)C1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001468312959 1062298380 /nfs/dbraw/zinc/29/83/80/1062298380.db2.gz UCTFEKAFLQTTBV-UHFFFAOYSA-N -1 3 323.436 4.096 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)cc1 ZINC001255075420 1062307708 /nfs/dbraw/zinc/30/77/08/1062307708.db2.gz BBIIMHJXDRLQSE-UHFFFAOYSA-N -1 3 323.845 4.320 20 0 DIADHM O=C(C[C@@H](Cc1ccccc1)c1ccccc1)[N-]OCCC1CC1 ZINC001468412781 1062315148 /nfs/dbraw/zinc/31/51/48/1062315148.db2.gz DMTPUBOKVHLNGQ-HXUWFJFHSA-N -1 3 323.436 4.251 20 0 DIADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC001468455146 1062328824 /nfs/dbraw/zinc/32/88/24/1062328824.db2.gz KFTXAVILPXHWFU-SECBINFHSA-N -1 3 310.180 4.441 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001468496320 1062333655 /nfs/dbraw/zinc/33/36/55/1062333655.db2.gz DHGUUGNZHRJLEE-OAHLLOKOSA-N -1 3 321.436 4.413 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001468540939 1062345241 /nfs/dbraw/zinc/34/52/41/1062345241.db2.gz NOPISXOORPKHJR-JOCQHMNTSA-N -1 3 315.800 4.030 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCCCC2(C)C)c1[O-] ZINC001468602042 1062362327 /nfs/dbraw/zinc/36/23/27/1062362327.db2.gz SNFMLBSIGQUFNT-CYBMUJFWSA-N -1 3 303.402 4.140 20 0 DIADHM CCc1cccc(C(=O)N2CCC(C)(C)c3ccccc32)c1[O-] ZINC001468608246 1062364413 /nfs/dbraw/zinc/36/44/13/1062364413.db2.gz RUDSDKGEFNPZCQ-UHFFFAOYSA-N -1 3 309.409 4.283 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCc3ccc(C)cc32)c([O-])c1 ZINC001468650514 1062368535 /nfs/dbraw/zinc/36/85/35/1062368535.db2.gz RRFCUHZTZIXDRI-SFHVURJKSA-N -1 3 309.409 4.070 20 0 DIADHM COc1cccc(-c2nnc(-c3ccc(Cl)cc3C)o2)c1[O-] ZINC001255268708 1062371520 /nfs/dbraw/zinc/37/15/20/1062371520.db2.gz WFZMNFXSHMFVJT-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2(C3CCC3)CCC2)c([O-])c1 ZINC001468779774 1062397833 /nfs/dbraw/zinc/39/78/33/1062397833.db2.gz WFBCIKVDFUYXGF-UHFFFAOYSA-N -1 3 301.430 4.216 20 0 DIADHM Cc1c(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1F ZINC001255335972 1062409131 /nfs/dbraw/zinc/40/91/31/1062409131.db2.gz VIKVBXIZTLHVGF-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM CCCC1(CCC)CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001468978835 1062456664 /nfs/dbraw/zinc/45/66/64/1062456664.db2.gz WABDLCIEMFWOHX-UHFFFAOYSA-N -1 3 322.424 4.176 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)c([O-])c1 ZINC001469008130 1062459302 /nfs/dbraw/zinc/45/93/02/1062459302.db2.gz MIFAPIDORITUKP-HOTGVXAUSA-N -1 3 301.430 4.072 20 0 DIADHM CCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001475192780 1062496794 /nfs/dbraw/zinc/49/67/94/1062496794.db2.gz BBBWYPNMEUNEDE-UHFFFAOYSA-N -1 3 324.273 4.016 20 0 DIADHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001475487309 1062511715 /nfs/dbraw/zinc/51/17/15/1062511715.db2.gz LHRNPFGTEZXFMV-SECBINFHSA-N -1 3 324.273 4.096 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)c([O-])c1 ZINC001469279298 1062518240 /nfs/dbraw/zinc/51/82/40/1062518240.db2.gz OAYWAVWZXPXYSZ-KRWDZBQOSA-N -1 3 309.409 4.314 20 0 DIADHM O=C(CCc1ccc2ccccc2c1)[N-]Oc1ccc(F)cc1 ZINC001469937427 1062664442 /nfs/dbraw/zinc/66/44/42/1062664442.db2.gz LSHTUNCBSNVYDN-UHFFFAOYSA-N -1 3 309.340 4.022 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc3c2ccn3C(F)F)c([O-])c1 ZINC001470020703 1062686219 /nfs/dbraw/zinc/68/62/19/1062686219.db2.gz PXBGDEPROXDACX-UHFFFAOYSA-N -1 3 316.307 4.303 20 0 DIADHM CCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC001470067033 1062695148 /nfs/dbraw/zinc/69/51/48/1062695148.db2.gz PTFBKUMPPJUTNE-UHFFFAOYSA-N -1 3 324.207 4.191 20 0 DIADHM CCCCCc1nnc(-c2cccc(OC(F)(F)F)c2[O-])o1 ZINC001256136058 1062722697 /nfs/dbraw/zinc/72/26/97/1062722697.db2.gz GJGXXOBFKMTIEQ-UHFFFAOYSA-N -1 3 316.279 4.074 20 0 DIADHM CCCCCCc1nnc(-c2cc3cccc(O)c3cc2[O-])o1 ZINC001256323584 1062776920 /nfs/dbraw/zinc/77/69/20/1062776920.db2.gz MADYKDLIKQXZAG-UHFFFAOYSA-N -1 3 312.369 4.424 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N(CC2CCCCC2)OCC(C)C)n1 ZINC001460329993 1062786523 /nfs/dbraw/zinc/78/65/23/1062786523.db2.gz VDCXSJNWABDULO-HNNXBMFYSA-N -1 3 321.465 4.022 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)C[C@H](C)C2CCCCC2)c1 ZINC001471012957 1062907647 /nfs/dbraw/zinc/90/76/47/1062907647.db2.gz KBZRMKWUXHPKJS-ZDUSSCGKSA-N -1 3 321.486 4.403 20 0 DIADHM C[C@@H](CN(C)C(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC001471012967 1062908971 /nfs/dbraw/zinc/90/89/71/1062908971.db2.gz KIACRINLRZSETH-LBPRGKRZSA-N -1 3 309.837 4.334 20 0 DIADHM CCOc1cccc(-c2nnc(-c3ccc(C)c(C)c3)o2)c1[O-] ZINC001256603147 1062915530 /nfs/dbraw/zinc/91/55/30/1062915530.db2.gz INGVLTFFYSQUCO-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM C[C@@H]1C[C@H]1c1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001256770379 1062970246 /nfs/dbraw/zinc/97/02/46/1062970246.db2.gz AOOGBGUTZAXJAV-IUODEOHRSA-N -1 3 322.364 4.145 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccccc1 ZINC001471803175 1063022321 /nfs/dbraw/zinc/02/23/21/1063022321.db2.gz KYIPYXKWRLUHCO-SJKOYZFVSA-N -1 3 315.800 4.269 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001472494919 1063091807 /nfs/dbraw/zinc/09/18/07/1063091807.db2.gz KLVYRCWEMFNVHY-CABCVRRESA-N -1 3 319.445 4.127 20 0 DIADHM O=C(CC1CCCCC1)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001472558687 1063103320 /nfs/dbraw/zinc/10/33/20/1063103320.db2.gz QDRBODKIWCCRRO-UHFFFAOYSA-N -1 3 324.384 4.127 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001257209516 1063140740 /nfs/dbraw/zinc/14/07/40/1063140740.db2.gz LIGZVYOWTRNXFX-HZPDHXFCSA-N -1 3 306.365 4.330 20 0 DIADHM COc1ccc([O-])c(-c2nnc([C@H]3C[C@@H]3c3ccc(C)cc3)o2)c1 ZINC001257209550 1063140935 /nfs/dbraw/zinc/14/09/35/1063140935.db2.gz LRMUVLYUMFUZCW-CABCVRRESA-N -1 3 322.364 4.030 20 0 DIADHM CCOc1cccc(-c2nnc(CCCc3ccccc3)o2)c1[O-] ZINC001257826052 1063397335 /nfs/dbraw/zinc/39/73/35/1063397335.db2.gz RWDXFJPJLXQYFU-UHFFFAOYSA-N -1 3 324.380 4.016 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c([O-])c1 ZINC001546314046 1063536271 /nfs/dbraw/zinc/53/62/71/1063536271.db2.gz XBDWSCPAIRFXEZ-CQSZACIVSA-N -1 3 311.425 4.051 20 0 DIADHM Cc1c([O-])cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc1F ZINC001258243407 1063578377 /nfs/dbraw/zinc/57/83/77/1063578377.db2.gz ZUJBTUTYWLRCBV-UHFFFAOYSA-N -1 3 310.328 4.045 20 0 DIADHM CC(C)CN(Cc1ccccc1F)Cc1c(F)ccc([O-])c1F ZINC001461886000 1063776523 /nfs/dbraw/zinc/77/65/23/1063776523.db2.gz CCTLYODKNACXHE-UHFFFAOYSA-N -1 3 323.358 4.468 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c(C)c1 ZINC001259101072 1063881902 /nfs/dbraw/zinc/88/19/02/1063881902.db2.gz MGPXSYKRHUEHHQ-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)c(C)c1 ZINC001259101620 1063881955 /nfs/dbraw/zinc/88/19/55/1063881955.db2.gz ONOWFVAZTWNGFH-UHFFFAOYSA-N -1 3 317.435 4.319 20 0 DIADHM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259490329 1063890633 /nfs/dbraw/zinc/89/06/33/1063890633.db2.gz KLEZDYNUDFRANY-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM O=S(=O)(CC1CCCCC1)[N-]c1csc2ccccc12 ZINC001259613827 1063891525 /nfs/dbraw/zinc/89/15/25/1063891525.db2.gz AJHNZLGUAXXLRD-UHFFFAOYSA-N -1 3 309.456 4.223 20 0 DIADHM Cc1cccc(C(F)(F)F)c1[N-]S(=O)(=O)C1CCCCC1 ZINC001259814031 1063893571 /nfs/dbraw/zinc/89/35/71/1063893571.db2.gz RPVXISACLDYXFG-UHFFFAOYSA-N -1 3 321.364 4.088 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1C ZINC001261000243 1063909356 /nfs/dbraw/zinc/90/93/56/1063909356.db2.gz VXNLIXZYPIUNIU-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM CCCOc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001264101425 1064019122 /nfs/dbraw/zinc/01/91/22/1064019122.db2.gz FXIDHYPWAYVPBN-UHFFFAOYSA-N -1 3 306.745 4.054 20 0 DIADHM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1[O-] ZINC001290644792 1064704042 /nfs/dbraw/zinc/70/40/42/1064704042.db2.gz XHNJLRIQJRSCRG-LJQANCHMSA-N -1 3 317.388 4.106 20 0 DIADHM CCCn1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC001306980755 1064727061 /nfs/dbraw/zinc/72/70/61/1064727061.db2.gz JGTGABJGVREKQP-UHFFFAOYSA-N -1 3 311.172 4.485 20 0 DIADHM Cc1ccc(NC(=O)c2cc3sccc3c([O-])c2)c2n[nH]cc21 ZINC001292257516 1064766341 /nfs/dbraw/zinc/76/63/41/1064766341.db2.gz IAUAXFIDLKAUHY-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001292406389 1064773377 /nfs/dbraw/zinc/77/33/77/1064773377.db2.gz NQQSRPNIFDVPOV-BPUTZDHNSA-N -1 3 303.446 4.139 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c([O-])c1 ZINC001292766426 1064786349 /nfs/dbraw/zinc/78/63/49/1064786349.db2.gz LWMHYZGZPJZGKQ-NVXWUHKLSA-N -1 3 303.446 4.289 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C)c2)c([O-])c1C ZINC001293663532 1064824457 /nfs/dbraw/zinc/82/44/57/1064824457.db2.gz LIDDFULCXCNURW-UHFFFAOYSA-N -1 3 313.397 4.357 20 0 DIADHM CC1(C)CCC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001294293464 1064861670 /nfs/dbraw/zinc/86/16/70/1064861670.db2.gz XTIHXCBTCURIDP-IBGZPJMESA-N -1 3 323.436 4.292 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)c([O-])c1 ZINC001294450492 1064868184 /nfs/dbraw/zinc/86/81/84/1064868184.db2.gz LHURPZVVUWIPJM-AWEZNQCLSA-N -1 3 309.409 4.275 20 0 DIADHM CCc1ccc(C(=O)NCC2CCC(C(C)C)CC2)c([O-])c1 ZINC001294735806 1064882691 /nfs/dbraw/zinc/88/26/91/1064882691.db2.gz QJCDETXZYXPPAB-UHFFFAOYSA-N -1 3 303.446 4.147 20 0 DIADHM CC(C)CC1(CNC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001294980375 1064892487 /nfs/dbraw/zinc/89/24/87/1064892487.db2.gz RULBCRSSONLIGF-UHFFFAOYSA-N -1 3 303.427 4.163 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(ccnc2Cl)s1 ZINC001295127987 1064901206 /nfs/dbraw/zinc/90/12/06/1064901206.db2.gz HOXQYZDEIOGEAF-UHFFFAOYSA-N -1 3 322.748 4.047 20 0 DIADHM Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)c([O-])c1 ZINC001295122974 1064901448 /nfs/dbraw/zinc/90/14/48/1064901448.db2.gz ADSKAUCSCVUOPN-OAHLLOKOSA-N -1 3 323.436 4.286 20 0 DIADHM Cc1ccc(C(F)(F)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001295351680 1064908101 /nfs/dbraw/zinc/90/81/01/1064908101.db2.gz YMGJARVZCQDLTG-UHFFFAOYSA-N -1 3 311.715 4.085 20 0 DIADHM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001295350267 1064909057 /nfs/dbraw/zinc/90/90/57/1064909057.db2.gz BTTDFWHPWTVLBU-NSHDSACASA-N -1 3 319.788 4.475 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001295351127 1064909297 /nfs/dbraw/zinc/90/92/97/1064909297.db2.gz PLBBUSXKJPDBPM-ZIAGYGMSSA-N -1 3 319.763 4.317 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC001296261962 1064941020 /nfs/dbraw/zinc/94/10/20/1064941020.db2.gz HZDIJHSADRJNHZ-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC001296457834 1064946169 /nfs/dbraw/zinc/94/61/69/1064946169.db2.gz PMDLOLHZNHBSJX-LBPRGKRZSA-N -1 3 309.365 4.192 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001296516401 1064950781 /nfs/dbraw/zinc/95/07/81/1064950781.db2.gz XXWHYZMNBSGHLM-UONOGXRCSA-N -1 3 319.445 4.126 20 0 DIADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccsc1 ZINC001297009508 1064966461 /nfs/dbraw/zinc/96/64/61/1064966461.db2.gz SDLJWYWSYJFFNX-VIFPVBQESA-N -1 3 303.408 4.159 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c1[O-] ZINC001297465126 1064981090 /nfs/dbraw/zinc/98/10/90/1064981090.db2.gz BBXOXPVDSHUGOS-QGZVFWFLSA-N -1 3 323.436 4.201 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC001297813056 1064991031 /nfs/dbraw/zinc/99/10/31/1064991031.db2.gz UBNAIKFBTVECPP-AEFFLSMTSA-N -1 3 303.446 4.268 20 0 DIADHM Cc1ccccc1C[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC001298551185 1065008403 /nfs/dbraw/zinc/00/84/03/1065008403.db2.gz VPNABYVDRQFWLR-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1ccccc1C[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC001298551187 1065008944 /nfs/dbraw/zinc/00/89/44/1065008944.db2.gz VPNABYVDRQFWLR-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1ccc(OCCCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001298550588 1065009631 /nfs/dbraw/zinc/00/96/31/1065009631.db2.gz LYRWLOUZRNQDLP-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM CC(=O)c1cccc(NC(=O)/C=C\C2CCCCCC2)c1[O-] ZINC001298749242 1065018603 /nfs/dbraw/zinc/01/86/03/1065018603.db2.gz UIXYPKRIWMSZIV-QXMHVHEDSA-N -1 3 301.386 4.060 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c1[O-] ZINC001298825320 1065022420 /nfs/dbraw/zinc/02/24/20/1065022420.db2.gz VISHSHAKIYYOQG-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC001336627184 1065048640 /nfs/dbraw/zinc/04/86/40/1065048640.db2.gz HEUJTJWSXIGOCL-UHFFFAOYSA-N -1 3 307.419 4.095 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C3CCC3)C2)c([O-])c1 ZINC001301058466 1065050783 /nfs/dbraw/zinc/05/07/83/1065050783.db2.gz HITSNNQGOXWFIB-INIZCTEOSA-N -1 3 301.430 4.168 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(CC2CC2)C1 ZINC001301381044 1065064122 /nfs/dbraw/zinc/06/41/22/1065064122.db2.gz NBZQICRELWLTKB-UHFFFAOYSA-N -1 3 323.392 4.057 20 0 DIADHM CCc1cccc(C(=O)Nc2cc3ccccc3c(OC)c2)c1[O-] ZINC001304002713 1065128189 /nfs/dbraw/zinc/12/81/89/1065128189.db2.gz WCAKBTAXDJONBM-UHFFFAOYSA-N -1 3 321.376 4.369 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC(C)(CC)CC2)c([O-])c1 ZINC001306472898 1065181890 /nfs/dbraw/zinc/18/18/90/1065181890.db2.gz JQBABZDYRSQQFR-UHFFFAOYSA-N -1 3 319.445 4.223 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@H](C)C[C@@H](C)CC)c([O-])c1 ZINC001306653057 1065188105 /nfs/dbraw/zinc/18/81/05/1065188105.db2.gz XXVDNFYRTDHHBT-UONOGXRCSA-N -1 3 307.434 4.126 20 0 DIADHM Cc1ccc(CNCc2c(F)ccc([O-])c2F)c2ccccc12 ZINC001308818253 1066293551 /nfs/dbraw/zinc/29/35/51/1066293551.db2.gz BCCWWAXGYOUBII-UHFFFAOYSA-N -1 3 313.347 4.422 20 0 DIADHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001309563064 1066460488 /nfs/dbraw/zinc/46/04/88/1066460488.db2.gz DRYJIZMIZNMSNP-VIFPVBQESA-N -1 3 324.273 4.096 20 0 DIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(C)(C)C)c1Cl ZINC001309639673 1066462507 /nfs/dbraw/zinc/46/25/07/1066462507.db2.gz GTOUJSBUYNPDAI-SECBINFHSA-N -1 3 324.273 4.015 20 0 DIADHM Cc1cc(F)c(CN[C@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000417533052 334954242 /nfs/dbraw/zinc/95/42/42/334954242.db2.gz LZRFYKYHPZVVHH-NWDGAFQWSA-N -1 3 315.816 4.157 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1cc(Cl)sc1Cl ZINC000417544149 334961116 /nfs/dbraw/zinc/96/11/16/334961116.db2.gz HBUDBUSAHLHEBN-QMMMGPOBSA-N -1 3 310.246 4.178 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000320399058 334962549 /nfs/dbraw/zinc/96/25/49/334962549.db2.gz FPTMARSXZCJSEV-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000417560524 334975866 /nfs/dbraw/zinc/97/58/66/334975866.db2.gz KHQVDPSSZMUGSD-KUHUBIRLSA-N -1 3 309.409 4.116 20 0 DIADHM Cc1cc(Cl)cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000417566639 334990865 /nfs/dbraw/zinc/99/08/65/334990865.db2.gz REUJTURSRJNJIG-CXAGYDPISA-N -1 3 317.816 4.200 20 0 DIADHM O=C([O-])CC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1 ZINC000417603694 335003811 /nfs/dbraw/zinc/00/38/11/335003811.db2.gz SOAXMAZTEYNLFM-IBGZPJMESA-N -1 3 309.409 4.260 20 0 DIADHM CSc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417600193 335003058 /nfs/dbraw/zinc/00/30/58/335003058.db2.gz JEKLOQINSFBVLK-CQSZACIVSA-N -1 3 321.467 4.166 20 0 DIADHM O=C([O-])CC[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000417604920 335004425 /nfs/dbraw/zinc/00/44/25/335004425.db2.gz WHHCTYODKXDRLZ-ZDUSSCGKSA-N -1 3 309.818 4.097 20 0 DIADHM Cc1nnc([N-]C(=O)c2sccc2-c2ccc(C)cc2)s1 ZINC000014634804 335009672 /nfs/dbraw/zinc/00/96/72/335009672.db2.gz TZYVAPSHAVVGRU-UHFFFAOYSA-N 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182046493 /nfs/dbraw/zinc/04/64/93/182046493.db2.gz AGWLNSRCELPXBX-SNVBAGLBSA-N -1 3 307.802 4.165 20 0 DIADHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000016483110 182046793 /nfs/dbraw/zinc/04/67/93/182046793.db2.gz AGWLNSRCELPXBX-JTQLQIEISA-N -1 3 307.802 4.165 20 0 DIADHM Cc1cc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC000417638156 335022014 /nfs/dbraw/zinc/02/20/14/335022014.db2.gz ZVKUVTNMFQPZIC-RDJZCZTQSA-N -1 3 315.800 4.051 20 0 DIADHM O=C(Nc1ccccc1[O-])c1ccccc1COc1ccccc1 ZINC000022699102 182331383 /nfs/dbraw/zinc/33/13/83/182331383.db2.gz BQARXYUADVJIPV-UHFFFAOYSA-N -1 3 319.360 4.224 20 0 DIADHM CCC[C@H](CCCCNCc1cc(Cl)ccc1F)C(=O)[O-] ZINC000417640789 335025708 /nfs/dbraw/zinc/02/57/08/335025708.db2.gz NAKRETSCYQHHLG-GFCCVEGCSA-N -1 3 315.816 4.240 20 0 DIADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000023993837 182371734 /nfs/dbraw/zinc/37/17/34/182371734.db2.gz JQDSVAKSGNOBEW-SNVBAGLBSA-N -1 3 324.273 4.096 20 0 DIADHM Cc1ccc2[nH]c(CNCc3ccc(C(=O)[O-])c(C)c3)cc2c1C ZINC000417672135 335037161 /nfs/dbraw/zinc/03/71/61/335037161.db2.gz RXKVVFHSMOYRKT-UHFFFAOYSA-N -1 3 322.408 4.081 20 0 DIADHM Cc1ccc2nc(-c3ccc([O-])c(Br)c3)[nH]c2c1 ZINC000041005830 183155833 /nfs/dbraw/zinc/15/58/33/183155833.db2.gz RHFOAIPOTOVKTN-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000273539066 130133174 /nfs/dbraw/zinc/13/31/74/130133174.db2.gz WFQIUFROEBKZCO-UHFFFAOYSA-N -1 3 322.817 4.488 20 0 DIADHM Cc1ccc(-c2ncccc2NC([O-])=NOC2CCCC2)s1 ZINC000275693660 130364334 /nfs/dbraw/zinc/36/43/34/130364334.db2.gz RQZGEMOZRBISOO-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM Cc1ccc(-c2ncccc2NC(=O)[N-]OC2CCCC2)s1 ZINC000275693660 130364335 /nfs/dbraw/zinc/36/43/35/130364335.db2.gz RQZGEMOZRBISOO-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM CCOc1cc(CN(C)[C@H](C)c2ccccn2)cc(Cl)c1[O-] ZINC000283871220 131030432 /nfs/dbraw/zinc/03/04/32/131030432.db2.gz FDZMDFOOJZWSBL-GFCCVEGCSA-N -1 3 320.820 4.032 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315.131 4.250 20 0 DIADHM CC(C)c1cccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000345140503 335301009 /nfs/dbraw/zinc/30/10/09/335301009.db2.gz OLISRMZNWKCXLE-CYBMUJFWSA-N -1 3 310.397 4.065 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc3cccnc32)c2c([O-])cccc21 ZINC000345152562 335301876 /nfs/dbraw/zinc/30/18/76/335301876.db2.gz YMXQNORBLAQIQA-CYBMUJFWSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(-c2cccs2)o1 ZINC000346037293 335370228 /nfs/dbraw/zinc/37/02/28/335370228.db2.gz RBLPKLIEQRNCEI-UHFFFAOYSA-N -1 3 314.366 4.434 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cn(C(C)C)nc2C)CC)n1 ZINC000346682481 335429203 /nfs/dbraw/zinc/42/92/03/335429203.db2.gz CMUCUTCBYMUUSI-NTEUORMPSA-N -1 3 314.433 4.171 20 0 DIADHM COc1csc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c1 ZINC000535642768 335701886 /nfs/dbraw/zinc/70/18/86/335701886.db2.gz XMGXQPNGJSVPPA-UHFFFAOYSA-N -1 3 317.744 4.249 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])s1 ZINC000114670008 335815283 /nfs/dbraw/zinc/81/52/83/335815283.db2.gz 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ZINC000532840734 336272864 /nfs/dbraw/zinc/27/28/64/336272864.db2.gz WLFRCHJMQWAIMT-UHFFFAOYSA-N -1 3 301.773 4.024 20 0 DIADHM Cc1noc(C)c1[C@H](C)[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301299770 336299622 /nfs/dbraw/zinc/29/96/22/336299622.db2.gz UJAQVXQFNHTPFV-QMMMGPOBSA-N -1 3 318.764 4.168 20 0 DIADHM Cc1cc(C(=O)Nc2cnc(-c3ccccc3)s2)ccc1[O-] ZINC000563989042 336390431 /nfs/dbraw/zinc/39/04/31/336390431.db2.gz NDDSEOOAWXZLTN-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@]2(CC=CCC2)C1 ZINC000354481214 336472558 /nfs/dbraw/zinc/47/25/58/336472558.db2.gz YAQKCEBXVNCERB-QGZVFWFLSA-N -1 3 305.805 4.008 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)s2)CC)n1 ZINC000193618904 337078641 /nfs/dbraw/zinc/07/86/41/337078641.db2.gz GFFVQSXYJOOAOM-CSKARUKUSA-N -1 3 308.834 4.388 20 0 DIADHM O=C([O-])c1cccc(CN2CC[C@@H](c3ccccc3)C2)c1Cl ZINC000394473803 337114415 /nfs/dbraw/zinc/11/44/15/337114415.db2.gz OCYZVGOQMIYKIT-CQSZACIVSA-N -1 3 315.800 4.028 20 0 DIADHM Cc1ccnc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc12 ZINC000582624314 337115870 /nfs/dbraw/zinc/11/58/70/337115870.db2.gz KNPLPHBZQGNDSC-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCC1CCC(N(C)Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000394489815 337120007 /nfs/dbraw/zinc/12/00/07/337120007.db2.gz JKPRUHLBJXNOKN-UHFFFAOYSA-N -1 3 309.837 4.439 20 0 DIADHM Cc1ccc(-c2nc(Cc3ccc(F)cc3C)no2)c([O-])c1C ZINC000582705075 337122428 /nfs/dbraw/zinc/12/24/28/337122428.db2.gz LMTVVHMTTFHEPJ-UHFFFAOYSA-N -1 3 312.344 4.097 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cccc3ccccc32)c1[O-] ZINC000582741347 337128311 /nfs/dbraw/zinc/12/83/11/337128311.db2.gz CWDHUFPWFPKTSW-UHFFFAOYSA-N -1 3 305.333 4.000 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1[O-] ZINC000175085286 337144381 /nfs/dbraw/zinc/14/43/81/337144381.db2.gz UKWKITIJOLRXCP-UHFFFAOYSA-N -1 3 302.399 4.067 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000182404893 337188327 /nfs/dbraw/zinc/18/83/27/337188327.db2.gz YRLNXZWXEQWRJY-LJQANCHMSA-N -1 3 320.392 4.241 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1cc(C2CC2)nc2ccccc21 ZINC000183245591 337192478 /nfs/dbraw/zinc/19/24/78/337192478.db2.gz HXZBZWWQWNUBQG-UHFFFAOYSA-N -1 3 322.339 4.209 20 0 DIADHM O=C(Nc1cc(F)cc(F)c1F)c1cc([O-])c2ccccc2c1 ZINC000583101889 337240833 /nfs/dbraw/zinc/24/08/33/337240833.db2.gz WNSVGHCJPLFSCQ-UHFFFAOYSA-N -1 3 317.266 4.215 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000185562499 337249066 /nfs/dbraw/zinc/24/90/66/337249066.db2.gz HFUXNGNSWATNNV-AWEZNQCLSA-N -1 3 322.383 4.444 20 0 DIADHM CCc1nc(C)c([C@H](C)N(C)Cc2cc([O-])cc(F)c2)s1 ZINC000186239470 337254895 /nfs/dbraw/zinc/25/48/95/337254895.db2.gz XXODWLVKTVZOCM-NSHDSACASA-N -1 3 308.422 4.052 20 0 DIADHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1ccsc1Cl ZINC000186950945 337260622 /nfs/dbraw/zinc/26/06/22/337260622.db2.gz NQMJQLUMJPUIDT-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000321413748 337263012 /nfs/dbraw/zinc/26/30/12/337263012.db2.gz 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C[C@H](CCCCC(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000426666691 338037627 /nfs/dbraw/zinc/03/76/27/338037627.db2.gz UKKUDKUFQRILLT-SNVBAGLBSA-N -1 3 304.217 4.117 20 0 DIADHM CC(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000426677222 338037884 /nfs/dbraw/zinc/03/78/84/338037884.db2.gz KLNYUVOSXLMGNX-MRXNPFEDSA-N -1 3 303.427 4.177 20 0 DIADHM O=C([O-])c1cccc(CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000426693783 338038412 /nfs/dbraw/zinc/03/84/12/338038412.db2.gz GDGJASIKKJLWKH-UHFFFAOYSA-N -1 3 317.388 4.342 20 0 DIADHM O=C([O-])[C@H](CC1CCCC1)NCc1c(Cl)oc2ccccc21 ZINC000426739839 338040128 /nfs/dbraw/zinc/04/01/28/338040128.db2.gz FCXBRGAWFWJPGO-AWEZNQCLSA-N -1 3 321.804 4.209 20 0 DIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000426753928 338040737 /nfs/dbraw/zinc/04/07/37/338040737.db2.gz MCESOKWGIXQEOI-QRWLVFNGSA-N -1 3 319.404 4.391 20 0 DIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000426753926 338040751 /nfs/dbraw/zinc/04/07/51/338040751.db2.gz 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Cc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1Cl ZINC000435831812 338250582 /nfs/dbraw/zinc/25/05/82/338250582.db2.gz VUNDROLDNLAOSX-UHFFFAOYSA-N -1 3 317.801 4.352 20 0 DIADHM Cc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1Cl ZINC000435831812 338250583 /nfs/dbraw/zinc/25/05/83/338250583.db2.gz VUNDROLDNLAOSX-UHFFFAOYSA-N -1 3 317.801 4.352 20 0 DIADHM CC[C@H](C)c1cc(C(=O)[N-]c2nc(C3CCC3)cs2)on1 ZINC000436201306 338261817 /nfs/dbraw/zinc/26/18/17/338261817.db2.gz UCWRIDOWAKTJNV-VIFPVBQESA-N -1 3 305.403 4.164 20 0 DIADHM CCCN(CC1CC1)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448570776 338264557 /nfs/dbraw/zinc/26/45/57/338264557.db2.gz VPSNXERWLRFDKL-UHFFFAOYSA-N -1 3 311.425 4.127 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)CCCc2ccccc2)c([O-])c1 ZINC000436520535 338274781 /nfs/dbraw/zinc/27/47/81/338274781.db2.gz HFKDMMYDFWAJLF-UHFFFAOYSA-N -1 3 311.425 4.220 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c([O-])c1C ZINC000436525954 338275100 /nfs/dbraw/zinc/27/51/00/338275100.db2.gz HRNSKUGCOWNGQN-OAHLLOKOSA-N -1 3 301.411 4.048 20 0 DIADHM CC[C@@H](Oc1cccc(C)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436533697 338275564 /nfs/dbraw/zinc/27/55/64/338275564.db2.gz NAQLRVNAXDTMCW-MRXNPFEDSA-N -1 3 310.353 4.281 20 0 DIADHM C[C@@H](c1ccc(Cl)s1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436534804 338275807 /nfs/dbraw/zinc/27/58/07/338275807.db2.gz QHHZNWAYPGMHOO-QMMMGPOBSA-N -1 3 306.774 4.309 20 0 DIADHM CC[C@@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436542174 338276036 /nfs/dbraw/zinc/27/60/36/338276036.db2.gz FEPAHFGITCEXKT-OAHLLOKOSA-N -1 3 311.425 4.048 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436542184 338276089 /nfs/dbraw/zinc/27/60/89/338276089.db2.gz ACFKRFQZEGMERL-HNNXBMFYSA-N -1 3 315.438 4.356 20 0 DIADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(OC)cc1[O-] ZINC000436541024 338276207 /nfs/dbraw/zinc/27/62/07/338276207.db2.gz VJHVSNXTIJMRQI-KRWDZBQOSA-N -1 3 313.397 4.014 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1C ZINC000436544515 338276300 /nfs/dbraw/zinc/27/63/00/338276300.db2.gz CZYZDERKNPJAKH-PBHICJAKSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1[O-] ZINC000436552347 338276706 /nfs/dbraw/zinc/27/67/06/338276706.db2.gz WCSYPSPCQRVQHP-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CN(CC1CCC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436560021 338277072 /nfs/dbraw/zinc/27/70/72/338277072.db2.gz ZQIUJTRSAVVHNG-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM CC(C)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCC1 ZINC000436561148 338277108 /nfs/dbraw/zinc/27/71/08/338277108.db2.gz IIJZGVJGDIQBFV-UHFFFAOYSA-N -1 3 323.436 4.386 20 0 DIADHM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436567028 338277489 /nfs/dbraw/zinc/27/74/89/338277489.db2.gz WMNGDYCZNTVPLX-ZIAGYGMSSA-N -1 3 311.381 4.055 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])[C@H]1C ZINC000436569427 338277627 /nfs/dbraw/zinc/27/76/27/338277627.db2.gz DMRDFWJJPXLDOA-KGLIPLIRSA-N -1 3 311.381 4.055 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(C)c2[O-])o1 ZINC000436571075 338277642 /nfs/dbraw/zinc/27/76/42/338277642.db2.gz BZYQPENVQPKEHO-MLGOLLRUSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c1 ZINC000436571169 338277658 /nfs/dbraw/zinc/27/76/58/338277658.db2.gz BWNVQTMECCJYEP-CXAGYDPISA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)c([O-])c1 ZINC000436580591 338278121 /nfs/dbraw/zinc/27/81/21/338278121.db2.gz GMOFERCPLCQTHD-UHFFFAOYSA-N -1 3 321.380 4.018 20 0 DIADHM Cc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)c([O-])c1 ZINC000436582399 338278277 /nfs/dbraw/zinc/27/82/77/338278277.db2.gz HVIKUBDMIBLUKP-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM C[C@H]1CC[C@H](C)N1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436582480 338278357 /nfs/dbraw/zinc/27/83/57/338278357.db2.gz DMHMZUNTTAVTMH-KBPBESRZSA-N -1 3 311.381 4.198 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2CC(F)(F)F)c([O-])c1C ZINC000436583890 338278427 /nfs/dbraw/zinc/27/84/27/338278427.db2.gz KYUHDPKXXYFPTO-UHFFFAOYSA-N -1 3 323.314 4.366 20 0 DIADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000436586394 338278511 /nfs/dbraw/zinc/27/85/11/338278511.db2.gz BOBVWPKBSSLUGE-QGZVFWFLSA-N -1 3 311.425 4.102 20 0 DIADHM CCc1c(NC(=O)c2cccc(C)c2[O-])cnn1C(CC)CC ZINC000436593082 338279178 /nfs/dbraw/zinc/27/91/78/338279178.db2.gz CGPAMQGKYSGKDK-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000436599812 338279334 /nfs/dbraw/zinc/27/93/34/338279334.db2.gz CGINXBYZKCIVOW-MRXNPFEDSA-N -1 3 317.335 4.038 20 0 DIADHM COCCC[C@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605188 338279554 /nfs/dbraw/zinc/27/95/54/338279554.db2.gz BENGIGVQWBKZSS-LBPRGKRZSA-N -1 3 312.369 4.126 20 0 DIADHM COCCC[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605185 338279598 /nfs/dbraw/zinc/27/95/98/338279598.db2.gz BENGIGVQWBKZSS-GFCCVEGCSA-N -1 3 312.369 4.126 20 0 DIADHM Cn1ccc(/C=C\c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436610872 338279716 /nfs/dbraw/zinc/27/97/16/338279716.db2.gz KHMNJHUFZSPNJM-TWGQIWQCSA-N -1 3 317.348 4.104 20 0 DIADHM C[C@@H](c1nc(-c2ccc([O-])c3ccccc23)no1)C(F)(F)F ZINC000436608080 338279744 /nfs/dbraw/zinc/27/97/44/338279744.db2.gz JNNGQEVTTRPUBI-QMMMGPOBSA-N -1 3 308.259 4.261 20 0 DIADHM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000436609715 338279750 /nfs/dbraw/zinc/27/97/50/338279750.db2.gz WBFPYFBXRDDGPJ-QGZVFWFLSA-N -1 3 323.436 4.220 20 0 DIADHM CC(C)(c1nc(-c2ccc([O-])c3ccccc23)no1)C(F)F ZINC000436611695 338279988 /nfs/dbraw/zinc/27/99/88/338279988.db2.gz LMJRGHVNPIVZMQ-UHFFFAOYSA-N -1 3 304.296 4.138 20 0 DIADHM CCOc1cc(-c2nc3cc(F)ccc3n2C)cc(Cl)c1[O-] ZINC000436656312 338281772 /nfs/dbraw/zinc/28/17/72/338281772.db2.gz MQGGNNMFCAEHGU-UHFFFAOYSA-N -1 3 320.751 4.137 20 0 DIADHM COc1cc(-c2nc3cccc(Cl)c3s2)cc(OC)c1[O-] ZINC000436658910 338281872 /nfs/dbraw/zinc/28/18/72/338281872.db2.gz WHVRIFCNDQHCDM-UHFFFAOYSA-N -1 3 321.785 4.340 20 0 DIADHM [O-]c1ccccc1-c1nc(CSc2ccc3c(c2)CCC3)no1 ZINC000436706362 338283504 /nfs/dbraw/zinc/28/35/04/338283504.db2.gz PHKIGNAJNLYSHQ-UHFFFAOYSA-N -1 3 324.405 4.223 20 0 DIADHM C[C@@H](C1CCC1)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436713081 338283695 /nfs/dbraw/zinc/28/36/95/338283695.db2.gz AKZUTNXIUYJUGO-HNNXBMFYSA-N -1 3 323.436 4.244 20 0 DIADHM CCCC[C@@H](C)N(CCCC)C(=O)c1cccc(OC)c1[O-] ZINC000436710614 338283704 /nfs/dbraw/zinc/28/37/04/338283704.db2.gz WMHOJHALBRLEEC-CQSZACIVSA-N -1 3 307.434 4.222 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2csnc2-c2ccccc2)no1 ZINC000436718678 338284024 /nfs/dbraw/zinc/28/40/24/338284024.db2.gz FTBQTZWACCLZBQ-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436732256 338284713 /nfs/dbraw/zinc/28/47/13/338284713.db2.gz SYVUELYQUWPZDI-NVXWUHKLSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ncc(-c2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2)o1 ZINC000436748709 338285128 /nfs/dbraw/zinc/28/51/28/338285128.db2.gz USPLVXYXOSJUQO-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c([O-])c1 ZINC000436754771 338285494 /nfs/dbraw/zinc/28/54/94/338285494.db2.gz JPKRVOYIEGZQMF-UHFFFAOYSA-N -1 3 315.800 4.159 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000436752809 338285569 /nfs/dbraw/zinc/28/55/69/338285569.db2.gz YNJXHNZYRUXRHU-DOTOQJQBSA-N -1 3 309.409 4.109 20 0 DIADHM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436759492 338285886 /nfs/dbraw/zinc/28/58/86/338285886.db2.gz YTHWIXHQIKKTDY-LLVKDONJSA-N -1 3 323.314 4.244 20 0 DIADHM CC(C)[C@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436759505 338285955 /nfs/dbraw/zinc/28/59/55/338285955.db2.gz YVVPNYXOZKZXFF-AWEZNQCLSA-N -1 3 313.397 4.301 20 0 DIADHM CCOc1ccc(N(CC)C(=O)c2cc(CC)ccc2[O-])cc1 ZINC000436760564 338286208 /nfs/dbraw/zinc/28/62/08/338286208.db2.gz CTOUZKHZXSYZJQ-UHFFFAOYSA-N -1 3 313.397 4.020 20 0 DIADHM CC(C)c1ccc(C(=O)N(Cc2cccs2)C2CC2)c([O-])c1 ZINC000436759985 338286256 /nfs/dbraw/zinc/28/62/56/338286256.db2.gz JQNVJNCAVJPTJW-UHFFFAOYSA-N -1 3 315.438 4.382 20 0 DIADHM [O-]c1ccc(-c2noc(CCCc3c[nH]c4ccccc34)n2)cc1 ZINC000436766021 338286288 /nfs/dbraw/zinc/28/62/88/338286288.db2.gz BPRDGQXPNMBKSJ-UHFFFAOYSA-N -1 3 319.364 4.099 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3cc(Cl)ccc3Cl)n2)cc1 ZINC000436767090 338286477 /nfs/dbraw/zinc/28/64/77/338286477.db2.gz FDJPKMVNRJONDF-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cccc(Cl)c3)n2)cc1 ZINC000436770985 338286771 /nfs/dbraw/zinc/28/67/71/338286771.db2.gz WPMXDGGYRPLDHB-CABCVRRESA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cccc(Cl)c3)n2)cc1 ZINC000436770987 338286781 /nfs/dbraw/zinc/28/67/81/338286781.db2.gz WPMXDGGYRPLDHB-HUUCEWRRSA-N -1 3 312.756 4.367 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1C ZINC000436783895 338287175 /nfs/dbraw/zinc/28/71/75/338287175.db2.gz NYZQSPHOIRQAMX-CRAIPNDOSA-N -1 3 323.436 4.417 20 0 DIADHM CN(CC(C)(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436787122 338287317 /nfs/dbraw/zinc/28/73/17/338287317.db2.gz UYOWKCMYCKWSEQ-UHFFFAOYSA-N -1 3 311.425 4.101 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c([O-])c1 ZINC000436789294 338287536 /nfs/dbraw/zinc/28/75/36/338287536.db2.gz BGJXFJPQMLQLOQ-KRWDZBQOSA-N -1 3 309.409 4.111 20 0 DIADHM CCCCS[C@@H](C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436792790 338287646 /nfs/dbraw/zinc/28/76/46/338287646.db2.gz XUSHRZAVUYDYSE-JTQLQIEISA-N -1 3 308.403 4.045 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c([O-])c1 ZINC000436798592 338287757 /nfs/dbraw/zinc/28/77/57/338287757.db2.gz UKSKOBQQUGGTAX-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000436798606 338287828 /nfs/dbraw/zinc/28/78/28/338287828.db2.gz UMUVKHDFDUFYEZ-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c([O-])c1 ZINC000436798605 338287854 /nfs/dbraw/zinc/28/78/54/338287854.db2.gz UMUVKHDFDUFYEZ-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c([O-])c1C ZINC000436797754 338287875 /nfs/dbraw/zinc/28/78/75/338287875.db2.gz HXEAUAXOSUBMKI-HNNXBMFYSA-N -1 3 303.446 4.297 20 0 DIADHM [O-]c1ccc(/C=C\c2nc3ccccc3o2)cc1Br ZINC000436808654 338288103 /nfs/dbraw/zinc/28/81/03/338288103.db2.gz PLMIGASMCYZPNU-VURMDHGXSA-N -1 3 316.154 4.466 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)c([O-])c1C ZINC000436824340 338288841 /nfs/dbraw/zinc/28/88/41/338288841.db2.gz GSGUIMLINDAKPG-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC[C@H]1CN(C(=O)c2cccc(C)c2[O-])CC[C@@H]1c1ccccc1 ZINC000436833528 338289188 /nfs/dbraw/zinc/28/91/88/338289188.db2.gz JVGUHVVSQMGNPZ-WMZOPIPTSA-N -1 3 323.436 4.357 20 0 DIADHM CCc1ccc(C(=O)N(CC)[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC000436841125 338289527 /nfs/dbraw/zinc/28/95/27/338289527.db2.gz UYBVUGKJZXQSCD-ZDUSSCGKSA-N -1 3 317.454 4.109 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC(C2CCC2)C1 ZINC000436866797 338290459 /nfs/dbraw/zinc/29/04/59/338290459.db2.gz ZEALSTHVEOPKHW-UHFFFAOYSA-N -1 3 323.392 4.057 20 0 DIADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1c[nH]c2ccccc21 ZINC000436870631 338290862 /nfs/dbraw/zinc/29/08/62/338290862.db2.gz OEIYKMWDBUCXJQ-GFCCVEGCSA-N -1 3 319.364 4.270 20 0 DIADHM CCOc1cc(-c2noc(C3=CCCCCC3)n2)ccc1[O-] ZINC000436878856 338291371 /nfs/dbraw/zinc/29/13/71/338291371.db2.gz VBZBYKSOZBPNGH-UHFFFAOYSA-N -1 3 300.358 4.188 20 0 DIADHM CCOc1cc(-c2noc(-c3occc3C(C)C)n2)ccc1[O-] ZINC000436879232 338291462 /nfs/dbraw/zinc/29/14/62/338291462.db2.gz WNUFZWUDXWLGRM-UHFFFAOYSA-N -1 3 314.341 4.224 20 0 DIADHM CCCOC1(c2noc(-c3cccc(C)c3[O-])n2)CCCCC1 ZINC000436879147 338291506 /nfs/dbraw/zinc/29/15/06/338291506.db2.gz FHTFKPYCXFHXGS-UHFFFAOYSA-N -1 3 316.401 4.337 20 0 DIADHM COc1ccc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000436884876 338291766 /nfs/dbraw/zinc/29/17/66/338291766.db2.gz FMLLGNQDHZPAJV-UHFFFAOYSA-N -1 3 324.380 4.165 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436898831 338292531 /nfs/dbraw/zinc/29/25/31/338292531.db2.gz AEIBNSQWKSHMOG-SXSDINLZSA-N -1 3 307.393 4.019 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c([O-])c1 ZINC000436900165 338292703 /nfs/dbraw/zinc/29/27/03/338292703.db2.gz HGKOKBVVVINQOH-UHFFFAOYSA-N -1 3 319.351 4.066 20 0 DIADHM Cc1cc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)ccc1[O-] ZINC000436904297 338292854 /nfs/dbraw/zinc/29/28/54/338292854.db2.gz WKQBDXKPPCYFPE-CYBMUJFWSA-N -1 3 317.816 4.057 20 0 DIADHM Cc1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)ccc1[O-] ZINC000436904023 338292891 /nfs/dbraw/zinc/29/28/91/338292891.db2.gz OZOVESWWSDNTDQ-ZDUSSCGKSA-N -1 3 309.365 4.280 20 0 DIADHM Cc1cc(C(=O)N[C@@H](C)c2cccc3ccccc32)ccc1[O-] ZINC000436905422 338292952 /nfs/dbraw/zinc/29/29/52/338292952.db2.gz SPQGYTDDMRZAQU-AWEZNQCLSA-N -1 3 305.377 4.345 20 0 DIADHM COc1cccc(Cc2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436906880 338293116 /nfs/dbraw/zinc/29/31/16/338293116.db2.gz XCPDTKIBJMEMPB-UHFFFAOYSA-N -1 3 324.380 4.165 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)c1[O-] ZINC000436913622 338293329 /nfs/dbraw/zinc/29/33/29/338293329.db2.gz VSYCIFKGYRNIQA-ZYHUDNBSSA-N -1 3 302.374 4.053 20 0 DIADHM Cc1cc([O-])ccc1-c1nc(=O)c2c(C(C)C)csc2[nH]1 ZINC000436922183 338293446 /nfs/dbraw/zinc/29/34/46/338293446.db2.gz LZJXIINPKYDFQK-UHFFFAOYSA-N -1 3 300.383 4.201 20 0 DIADHM Cc1cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1[O-] ZINC000436927220 338293839 /nfs/dbraw/zinc/29/38/39/338293839.db2.gz QCIHJKUOQKBKQW-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM COc1cc(C)cc(-c2nc([C@H]3CCCC[C@@H]3C)no2)c1[O-] ZINC000436927355 338293897 /nfs/dbraw/zinc/29/38/97/338293897.db2.gz PAFOENHPRVPMTR-RYUDHWBXSA-N -1 3 302.374 4.053 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436925679 338293901 /nfs/dbraw/zinc/29/39/01/338293901.db2.gz KGMCXOIMLJCPKM-DOTOQJQBSA-N -1 3 309.409 4.027 20 0 DIADHM COc1cccc(-c2nc(-c3cc(Cl)ccc3C)no2)c1[O-] ZINC000436932209 338294216 /nfs/dbraw/zinc/29/42/16/338294216.db2.gz MSVVEEPZPCRSRI-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)c1ccc(Cl)s1 ZINC000436934553 338294451 /nfs/dbraw/zinc/29/44/51/338294451.db2.gz HBPCPVKIZXMERW-NSHDSACASA-N -1 3 309.818 4.297 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC2(CC2)C1 ZINC000436935999 338294504 /nfs/dbraw/zinc/29/45/04/338294504.db2.gz XXFJBGAJWMPYBD-UHFFFAOYSA-N -1 3 323.392 4.201 20 0 DIADHM Cc1ccc([O-])c(-c2nc(CSCc3ccccc3)no2)c1 ZINC000436938219 338294604 /nfs/dbraw/zinc/29/46/04/338294604.db2.gz IKZCXEUZYGTQRA-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436941042 338294740 /nfs/dbraw/zinc/29/47/40/338294740.db2.gz ZPEVAZLQVQVVKP-RBUKOAKNSA-N -1 3 323.436 4.417 20 0 DIADHM CCS[C@H](C)c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436945898 338295179 /nfs/dbraw/zinc/29/51/79/338295179.db2.gz QYTJLFWPTJJYAN-SNVBAGLBSA-N -1 3 304.415 4.135 20 0 DIADHM CCS[C@H](C)c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000436946238 338295187 /nfs/dbraw/zinc/29/51/87/338295187.db2.gz RDXJMGCCCUGHEB-SNVBAGLBSA-N -1 3 300.383 4.410 20 0 DIADHM Oc1ccc(-c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)cc1 ZINC000436951250 338295516 /nfs/dbraw/zinc/29/55/16/338295516.db2.gz XYACIXYOAOEIFN-UHFFFAOYSA-N -1 3 317.757 4.305 20 0 DIADHM C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436952925 338295601 /nfs/dbraw/zinc/29/56/01/338295601.db2.gz ZWLWZXXAOKHEIT-GFCCVEGCSA-N -1 3 315.438 4.166 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(NC(C)(C)C)cn3)no2)c1[O-] ZINC000436956031 338295659 /nfs/dbraw/zinc/29/56/59/338295659.db2.gz KHIHUSDBTIQJMK-UHFFFAOYSA-N -1 3 324.384 4.023 20 0 DIADHM CCS[C@@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000437004845 338297537 /nfs/dbraw/zinc/29/75/37/338297537.db2.gz NQUGCRLQCVYSAE-OAHLLOKOSA-N -1 3 321.486 4.263 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1cc(-c2ccccc2)on1 ZINC000438577329 338348860 /nfs/dbraw/zinc/34/88/60/338348860.db2.gz RVMBSAQRKMKZSJ-UHFFFAOYSA-N -1 3 304.758 4.309 20 0 DIADHM CC[C@H](C)c1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])on1 ZINC000438892215 338354888 /nfs/dbraw/zinc/35/48/88/338354888.db2.gz IMFQQIVTSBPYSR-NSHDSACASA-N -1 3 316.401 4.444 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000439099322 338361048 /nfs/dbraw/zinc/36/10/48/338361048.db2.gz PZZZIPWWQVSGJZ-JQWIXIFHSA-N -1 3 323.726 4.066 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1 ZINC000439397855 338368470 /nfs/dbraw/zinc/36/84/70/338368470.db2.gz RFHHRDUPFNHICI-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c1 ZINC000440187477 338384108 /nfs/dbraw/zinc/38/41/08/338384108.db2.gz COCPTOXUOYXPKM-CRAIPNDOSA-N -1 3 323.436 4.220 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c1 ZINC000440187480 338384221 /nfs/dbraw/zinc/38/42/21/338384221.db2.gz COCPTOXUOYXPKM-YJBOKZPZSA-N -1 3 323.436 4.220 20 0 DIADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000448635212 338385341 /nfs/dbraw/zinc/38/53/41/338385341.db2.gz PBACWTIRPALIRB-UHFFFAOYSA-N -1 3 311.425 4.269 20 0 DIADHM O=C([N-]c1nc2cc(Cl)ccc2s1)c1cc(C2CC2)no1 ZINC000440431568 338387253 /nfs/dbraw/zinc/38/72/53/338387253.db2.gz INEOWXHBKYXLKR-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM CC(C)(C)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000440587547 338391250 /nfs/dbraw/zinc/39/12/50/338391250.db2.gz IAJPBBDCTDGLGN-UHFFFAOYSA-N -1 3 302.399 4.361 20 0 DIADHM Cc1nc(C2CC2)oc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441576581 338417042 /nfs/dbraw/zinc/41/70/42/338417042.db2.gz PUPFVUKCYYOZPT-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM CCC(C)(C)c1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000447876300 338570042 /nfs/dbraw/zinc/57/00/42/338570042.db2.gz ZPORUIUVDZIBHP-ZDUSSCGKSA-N -1 3 315.417 4.110 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCCc3c(F)cccc32)c1Cl ZINC000449349076 338616044 /nfs/dbraw/zinc/61/60/44/338616044.db2.gz IJXINJUERALOJL-OAHLLOKOSA-N -1 3 305.780 4.352 20 0 DIADHM Cc1ccc([O-])c(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000449448005 338625058 /nfs/dbraw/zinc/62/50/58/338625058.db2.gz DGJZBCHOITXEGC-KRWDZBQOSA-N -1 3 320.795 4.129 20 0 DIADHM C[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2[O-])C(C)(C)C1 ZINC000450025835 338663728 /nfs/dbraw/zinc/66/37/28/338663728.db2.gz UFMYJADAIUTJDX-AWEZNQCLSA-N -1 3 311.425 4.125 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])nn1C(C)C ZINC000451478023 338736218 /nfs/dbraw/zinc/73/62/18/338736218.db2.gz JKCAYPMJYBTOIW-UHFFFAOYSA-N -1 3 315.417 4.028 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1[O-] ZINC000195646914 338912388 /nfs/dbraw/zinc/91/23/88/338912388.db2.gz XTDDXMZBLYNFBR-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000195646915 338912393 /nfs/dbraw/zinc/91/23/93/338912393.db2.gz XTDDXMZBLYNFBR-INIZCTEOSA-N -1 3 315.800 4.331 20 0 DIADHM CC[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000459397418 339027082 /nfs/dbraw/zinc/02/70/82/339027082.db2.gz DMDMWVJXJPYRFK-NSHDSACASA-N -1 3 323.849 4.015 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463027034 339101297 /nfs/dbraw/zinc/10/12/97/339101297.db2.gz BTKGGNOVEJMNAF-KGLIPLIRSA-N -1 3 305.315 4.084 20 0 DIADHM Cc1ccc(NC(=O)CCc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000464319025 339139610 /nfs/dbraw/zinc/13/96/10/339139610.db2.gz NRENGPGYYFBIRV-UHFFFAOYSA-N -1 3 323.314 4.291 20 0 DIADHM CC(C)(C)C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000498231274 339141545 /nfs/dbraw/zinc/14/15/45/339141545.db2.gz JJISLNYBTQCTFL-LLVKDONJSA-N -1 3 323.742 4.143 20 0 DIADHM CC(C)(C)C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000498231275 339141565 /nfs/dbraw/zinc/14/15/65/339141565.db2.gz JJISLNYBTQCTFL-NSHDSACASA-N -1 3 323.742 4.143 20 0 DIADHM O=C(c1cccc(C2CCC2)c1)N1CCCc2cccc([O-])c21 ZINC000467499239 339240357 /nfs/dbraw/zinc/24/03/57/339240357.db2.gz QAYQPFKTUQFLBI-UHFFFAOYSA-N -1 3 307.393 4.253 20 0 DIADHM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc(Cl)o1 ZINC000468197727 339256274 /nfs/dbraw/zinc/25/62/74/339256274.db2.gz XMARCOLLRXQDPX-UHFFFAOYSA-N -1 3 323.629 4.065 20 0 DIADHM C[C@H](c1ccccc1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468420561 339262579 /nfs/dbraw/zinc/26/25/79/339262579.db2.gz PQLVBQIKKSOXNW-CQSZACIVSA-N -1 3 315.388 4.074 20 0 DIADHM O=C(Cc1cccc(C(F)F)c1)Nc1ccc(Cl)cc1[O-] ZINC000468424098 339262678 /nfs/dbraw/zinc/26/26/78/339262678.db2.gz WKTQIBQMDNFGPL-UHFFFAOYSA-N -1 3 311.715 4.164 20 0 DIADHM CCCCCN(C(=O)CCCc1ccc([O-])c(F)c1)C(C)C ZINC000468646064 339267872 /nfs/dbraw/zinc/26/78/72/339267872.db2.gz VCTJGVHNDONXRU-UHFFFAOYSA-N -1 3 309.425 4.281 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2ncccc2c1 ZINC000468921218 339274638 /nfs/dbraw/zinc/27/46/38/339274638.db2.gz JBOXJZRSUPEAGF-UHFFFAOYSA-N -1 3 324.355 4.041 20 0 DIADHM CCc1ccc(CC(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000468938056 339275260 /nfs/dbraw/zinc/27/52/60/339275260.db2.gz IYNQWKKFGDBJKP-CQSZACIVSA-N -1 3 309.409 4.038 20 0 DIADHM CCc1sc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1C ZINC000469057073 339278835 /nfs/dbraw/zinc/27/88/35/339278835.db2.gz PGHNCWAZRFVHDR-LLVKDONJSA-N -1 3 315.438 4.479 20 0 DIADHM CCc1sc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1C ZINC000469057218 339278862 /nfs/dbraw/zinc/27/88/62/339278862.db2.gz PGHNCWAZRFVHDR-NSHDSACASA-N -1 3 315.438 4.479 20 0 DIADHM CC(C)C[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469071672 339279381 /nfs/dbraw/zinc/27/93/81/339279381.db2.gz UGMHZPKKLGIPGG-INIZCTEOSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@@H]1CCN(C(=O)[C@H]2CCCc3ccccc32)c2c([O-])cccc21 ZINC000469132673 339281022 /nfs/dbraw/zinc/28/10/22/339281022.db2.gz TVMLLZHOUHQNIL-KDOFPFPSSA-N -1 3 321.420 4.353 20 0 DIADHM Cc1ccc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000469175125 339282140 /nfs/dbraw/zinc/28/21/40/339282140.db2.gz YOKIXYYFIFZMIV-HNNXBMFYSA-N -1 3 309.409 4.174 20 0 DIADHM C[C@@H]1CCN(C(=O)CCCc2ccccc2)c2c([O-])cccc21 ZINC000469188535 339282576 /nfs/dbraw/zinc/28/25/76/339282576.db2.gz ZGUDSPLRNKRCIE-OAHLLOKOSA-N -1 3 309.409 4.255 20 0 DIADHM CCc1cccc(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000469289202 339285214 /nfs/dbraw/zinc/28/52/14/339285214.db2.gz PHQYCFIVEBDFLC-AWEZNQCLSA-N -1 3 309.409 4.038 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)c2c([O-])cccc21 ZINC000469314484 339285875 /nfs/dbraw/zinc/28/58/75/339285875.db2.gz WVIDXEMUVSILAO-AWEZNQCLSA-N -1 3 321.420 4.425 20 0 DIADHM C[C@H](CCC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469387113 339287543 /nfs/dbraw/zinc/28/75/43/339287543.db2.gz WNAAEYVGRUCPOJ-CYBMUJFWSA-N -1 3 309.425 4.185 20 0 DIADHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469396538 339287868 /nfs/dbraw/zinc/28/78/68/339287868.db2.gz YNXCQVSTTCCBJZ-RHSMWYFYSA-N -1 3 321.436 4.281 20 0 DIADHM CC(C)c1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000469412816 339288285 /nfs/dbraw/zinc/28/82/85/339288285.db2.gz XNICJNXWPSLXAY-UHFFFAOYSA-N -1 3 322.405 4.073 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1C(F)(F)F ZINC000472050517 339360877 /nfs/dbraw/zinc/36/08/77/339360877.db2.gz ZXIMLINPOSQKRP-JTQLQIEISA-N -1 3 313.294 4.401 20 0 DIADHM CC[C@H](C)Oc1cc(C)ccc1CNCc1cc([O-])cc(F)c1 ZINC000472052620 339361067 /nfs/dbraw/zinc/36/10/67/339361067.db2.gz KQGDAYBSSUVNGQ-AWEZNQCLSA-N -1 3 317.404 4.307 20 0 DIADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)c(OC(C)(C)C)c1 ZINC000472074396 339362508 /nfs/dbraw/zinc/36/25/08/339362508.db2.gz NNVBHQHMGBQPMG-UHFFFAOYSA-N -1 3 317.404 4.307 20 0 DIADHM CCCCN(C(=O)c1csc(=O)[n-]1)[C@@H](CC)c1ccccc1 ZINC000472153481 339364580 /nfs/dbraw/zinc/36/45/80/339364580.db2.gz JVZAGEFYRBAYFW-HNNXBMFYSA-N -1 3 318.442 4.242 20 0 DIADHM O=C(NCC1(C2CCCCC2)CCCCC1)c1csc(=O)[n-]1 ZINC000472440977 339371820 /nfs/dbraw/zinc/37/18/20/339371820.db2.gz SXBBHWCUWWZKIK-UHFFFAOYSA-N -1 3 322.474 4.109 20 0 DIADHM [O-]c1cc(F)cc(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000473141860 339382675 /nfs/dbraw/zinc/38/26/75/339382675.db2.gz QAWNQJUPDSMXPS-CQSZACIVSA-N -1 3 317.429 4.146 20 0 DIADHM CCCCOc1ccc(C(=O)Nc2ccccc2[O-])c(Cl)c1 ZINC000473862891 339393611 /nfs/dbraw/zinc/39/36/11/339393611.db2.gz FYYJYWICRLZVOF-UHFFFAOYSA-N -1 3 319.788 4.477 20 0 DIADHM Cc1onc(-c2ccccc2C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000474194920 339405801 /nfs/dbraw/zinc/40/58/01/339405801.db2.gz PBUTUGNPNSIXLO-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000474309494 339409143 /nfs/dbraw/zinc/40/91/43/339409143.db2.gz WKMWZSTVOPPQJV-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1coc2ccccc12 ZINC000476152906 339470338 /nfs/dbraw/zinc/47/03/38/339470338.db2.gz KOCITJAZPGBZFF-UHFFFAOYSA-N -1 3 321.254 4.410 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1coc2cc(F)ccc21 ZINC000476482081 339477376 /nfs/dbraw/zinc/47/73/76/339477376.db2.gz KDQWUOIHERTFDR-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C ZINC000477400646 339493975 /nfs/dbraw/zinc/49/39/75/339493975.db2.gz BGUISUOPNUSEFO-XMHGGMMESA-N -1 3 316.404 4.170 20 0 DIADHM COc1c(O)cccc1/C=C/c1ccc2cc(C)cc([O-])c2n1 ZINC000478910524 339524430 /nfs/dbraw/zinc/52/44/30/339524430.db2.gz LDOXRWXYKKRQQD-SOFGYWHQSA-N -1 3 307.349 4.133 20 0 DIADHM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]c1onc(C)c1C ZINC000479873624 339551994 /nfs/dbraw/zinc/55/19/94/339551994.db2.gz NCSRECULCAEGEK-OAHLLOKOSA-N -1 3 316.401 4.211 20 0 DIADHM CCSc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000481845595 339615351 /nfs/dbraw/zinc/61/53/51/339615351.db2.gz HVZPARFPJNJHSH-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM CCc1cc(C(=O)Nc2cccc(-c3nccs3)c2)ccc1[O-] ZINC000485837434 339714135 /nfs/dbraw/zinc/71/41/35/339714135.db2.gz AWKOPYKIJHAAIJ-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cc1ccc(-c2nc(C=Cc3cc(=O)[n-]c(C4CC4)n3)co2)cc1 ZINC000485981323 339717875 /nfs/dbraw/zinc/71/78/75/339717875.db2.gz SPVLTKYQGDNZJR-CMDGGOBGSA-N -1 3 319.364 4.193 20 0 DIADHM CCc1cc(C(=O)Nc2ccccc2CC(F)(F)F)ccc1[O-] ZINC000486404820 339726666 /nfs/dbraw/zinc/72/66/66/339726666.db2.gz IBIYQGANWKNESM-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM CCc1cc(C(=O)Nc2ccc(F)cc2NC(C)C)ccc1[O-] ZINC000486426263 339726960 /nfs/dbraw/zinc/72/69/60/339726960.db2.gz UDDYIACWSJQMHO-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM Cc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1O ZINC000486619676 339730008 /nfs/dbraw/zinc/73/00/08/339730008.db2.gz IFEDJDLRKBYUEV-UHFFFAOYSA-N -1 3 306.774 4.149 20 0 DIADHM CCc1cc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)ccc1[O-] ZINC000487163813 339744941 /nfs/dbraw/zinc/74/49/41/339744941.db2.gz KVRJTAOEOWHPKE-XASXRRJKSA-N -1 3 321.420 4.273 20 0 DIADHM CCc1cc(C(=O)N(CC)[C@@H](C)Cc2ccsc2)ccc1[O-] ZINC000487458681 339754549 /nfs/dbraw/zinc/75/45/49/339754549.db2.gz BZECBUPMINLFMK-ZDUSSCGKSA-N -1 3 317.454 4.109 20 0 DIADHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1ncc(F)cc1F ZINC000489357700 339806941 /nfs/dbraw/zinc/80/69/41/339806941.db2.gz VZINMHUSVSKKMM-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM Cc1cccc([O-])c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000490617142 339835768 /nfs/dbraw/zinc/83/57/68/339835768.db2.gz SFSLQDAIFUFXFJ-UHFFFAOYSA-N -1 3 324.405 4.005 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CCCc1ccc(Cl)cc1 ZINC000490646992 339836399 /nfs/dbraw/zinc/83/63/99/339836399.db2.gz QMVSTHAPXNWXRH-UHFFFAOYSA-N -1 3 303.789 4.315 20 0 DIADHM Cc1sc(NC(=O)c2cccc([O-])c2)nc1-c1ccc(C)cc1 ZINC000490647603 339836441 /nfs/dbraw/zinc/83/64/41/339836441.db2.gz HYQKKKXQKYFGOI-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(S[C@@H](C)C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000490736947 339838889 /nfs/dbraw/zinc/83/88/89/339838889.db2.gz VRZDZZCDVZFYRS-ZDUSSCGKSA-N -1 3 301.411 4.128 20 0 DIADHM CCSc1ccc(C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000490876952 339842759 /nfs/dbraw/zinc/84/27/59/339842759.db2.gz JSXDGOQALUNTRI-UHFFFAOYSA-N -1 3 313.422 4.097 20 0 DIADHM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1[O-] ZINC000499553638 340039285 /nfs/dbraw/zinc/03/92/85/340039285.db2.gz MGJUWQIUEIQYNL-UHFFFAOYSA-N -1 3 315.800 4.159 20 0 DIADHM O=C([O-])c1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC000516575884 340053969 /nfs/dbraw/zinc/05/39/69/340053969.db2.gz FQJFQEFGXKESPV-OAHLLOKOSA-N -1 3 315.800 4.028 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000500411087 340057337 /nfs/dbraw/zinc/05/73/37/340057337.db2.gz QVCJEFZKVQOXJJ-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM CC(C)(CNC(=O)c1cc([O-])ccc1Cl)C1=CCCCC1 ZINC000501017990 340072358 /nfs/dbraw/zinc/07/23/58/340072358.db2.gz ZXVGRZUTFIASAM-UHFFFAOYSA-N -1 3 307.821 4.302 20 0 DIADHM CSc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000501450767 340081390 /nfs/dbraw/zinc/08/13/90/340081390.db2.gz XHWBVTQGOFOYRC-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CC[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000501990097 340092171 /nfs/dbraw/zinc/09/21/71/340092171.db2.gz KQIKGLSBPRYPBX-HNNXBMFYSA-N -1 3 309.409 4.255 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)c([O-])c1 ZINC000502664801 340109911 /nfs/dbraw/zinc/10/99/11/340109911.db2.gz IHKWNDNSVBUYSD-RFQIPJPRSA-N -1 3 311.381 4.159 20 0 DIADHM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000502747238 340112829 /nfs/dbraw/zinc/11/28/29/340112829.db2.gz NSAIMAPXLORWFZ-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM CC(F)(F)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000504208198 340143006 /nfs/dbraw/zinc/14/30/06/340143006.db2.gz QFNCOVXCKIUXCF-UHFFFAOYSA-N -1 3 311.715 4.410 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000505367930 340167229 /nfs/dbraw/zinc/16/72/29/340167229.db2.gz YCYNPFJCDCJTJI-QXPKXGMISA-N -1 3 307.393 4.019 20 0 DIADHM Cc1csc2ncnc([N-]c3nc(-c4ccc[nH]4)cs3)c12 ZINC000505746340 340176470 /nfs/dbraw/zinc/17/64/70/340176470.db2.gz VELYWJXFQIUBST-UHFFFAOYSA-N -1 3 313.411 4.195 20 0 DIADHM CCCC[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000506038581 340183963 /nfs/dbraw/zinc/18/39/63/340183963.db2.gz NZOVCHHEOLLAIK-VIFPVBQESA-N -1 3 305.296 4.056 20 0 DIADHM COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(F)c1 ZINC000506242231 340189741 /nfs/dbraw/zinc/18/97/41/340189741.db2.gz BBBQWUCFCSADKB-UHFFFAOYSA-N -1 3 317.360 4.090 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(c3ccccc3)CC2)c1F ZINC000507099103 340207324 /nfs/dbraw/zinc/20/73/24/340207324.db2.gz YZNMLLIWELSXOX-UHFFFAOYSA-N -1 3 303.352 4.050 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1cccc(Cl)c1 ZINC000508606089 340247741 /nfs/dbraw/zinc/24/77/41/340247741.db2.gz XBGYPQPZKGFSHY-UHFFFAOYSA-N -1 3 324.207 4.295 20 0 DIADHM CCCN(Cc1cccc([O-])c1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000508718436 340251412 /nfs/dbraw/zinc/25/14/12/340251412.db2.gz LEMLAULSOYEAEN-KBRIMQKVSA-N -1 3 323.864 4.071 20 0 DIADHM CCSc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508978405 340256860 /nfs/dbraw/zinc/25/68/60/340256860.db2.gz IMNWCRLNWVZAOM-UHFFFAOYSA-N -1 3 321.829 4.339 20 0 DIADHM CC(C)(C)[C@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000509234655 340264251 /nfs/dbraw/zinc/26/42/51/340264251.db2.gz APFCXILIRNZWLG-MRXNPFEDSA-N -1 3 319.351 4.188 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000509268187 340264996 /nfs/dbraw/zinc/26/49/96/340264996.db2.gz ODXMVOGARORFKV-UHFFFAOYSA-N -1 3 315.372 4.262 20 0 DIADHM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc([O-])c1 ZINC000509346733 340266719 /nfs/dbraw/zinc/26/67/19/340266719.db2.gz WQMRWXMVAXEYNY-JTQLQIEISA-N -1 3 324.207 4.060 20 0 DIADHM C[C@@H](CNC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000509353432 340266939 /nfs/dbraw/zinc/26/69/39/340266939.db2.gz JRYBFXAVGGSPIM-JTQLQIEISA-N -1 3 324.207 4.233 20 0 DIADHM CC(C)N(C)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509454390 340270070 /nfs/dbraw/zinc/27/00/70/340270070.db2.gz RPISMSLEAFPMPU-UHFFFAOYSA-N -1 3 306.356 4.127 20 0 DIADHM Cc1coc(-c2cccc(NCc3c(F)ccc([O-])c3F)c2)n1 ZINC000509503998 340271577 /nfs/dbraw/zinc/27/15/77/340271577.db2.gz QTWYIBQWIUFDOX-UHFFFAOYSA-N -1 3 316.307 4.246 20 0 DIADHM CC(C)(C)c1ccc(CCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000509562172 340273485 /nfs/dbraw/zinc/27/34/85/340273485.db2.gz WWHVTEPMBABOQE-UHFFFAOYSA-N -1 3 315.388 4.400 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)ccc1[O-] ZINC000509723184 340277850 /nfs/dbraw/zinc/27/78/50/340277850.db2.gz WJAGVZSUFLXUAN-SXAWMYDMSA-N -1 3 307.393 4.019 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)cs1 ZINC000302950651 340289636 /nfs/dbraw/zinc/28/96/36/340289636.db2.gz MONDMHRSKRRXMX-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCCOc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000510154797 340290866 /nfs/dbraw/zinc/29/08/66/340290866.db2.gz PRUXUQRQUTVRIK-UHFFFAOYSA-N -1 3 321.380 4.118 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1[O-] ZINC000303013744 340295388 /nfs/dbraw/zinc/29/53/88/340295388.db2.gz KDDUUEFSKNJCRV-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1c2ccccc2oc1CNCc1c(F)ccc([O-])c1F ZINC000511123158 340321503 /nfs/dbraw/zinc/32/15/03/340321503.db2.gz PVHVJUDNTMFLCM-UHFFFAOYSA-N -1 3 303.308 4.015 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000511540097 340329969 /nfs/dbraw/zinc/32/99/69/340329969.db2.gz YVPKSOGGYMHZOM-ZJUUUORDSA-N -1 3 323.305 4.129 20 0 DIADHM Cc1cc(Cl)c(C(=O)N2CCCc3cccc([O-])c32)cc1C ZINC000511981763 340344541 /nfs/dbraw/zinc/34/45/41/340344541.db2.gz FLOFWNKZSNFQCR-UHFFFAOYSA-N -1 3 315.800 4.255 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(C)CCc2cccc3ccccc32)c1 ZINC000512452767 340362472 /nfs/dbraw/zinc/36/24/72/340362472.db2.gz WUMXPXZESMVMAR-UHFFFAOYSA-N -1 3 319.404 4.169 20 0 DIADHM CN(Cc1cc(Cl)ccc1F)Cc1c(F)ccc([O-])c1F ZINC000513254668 340399523 /nfs/dbraw/zinc/39/95/23/340399523.db2.gz AZJSNQJVEGLTID-UHFFFAOYSA-N -1 3 315.722 4.095 20 0 DIADHM CC(C)[C@@H](NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000521115066 340480613 /nfs/dbraw/zinc/48/06/13/340480613.db2.gz TUWYOYKCECSTTB-MRXNPFEDSA-N -1 3 324.346 4.293 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000183030447 340486128 /nfs/dbraw/zinc/48/61/28/340486128.db2.gz NSEJTOSRDWQSDK-WDEREUQCSA-N -1 3 319.763 4.235 20 0 DIADHM CSc1cccc(C)c1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000184605793 340494328 /nfs/dbraw/zinc/49/43/28/340494328.db2.gz WIAIHURRBNVUFZ-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000219364370 340504748 /nfs/dbraw/zinc/50/47/48/340504748.db2.gz MPBIATRGOOTDLL-ZDUSSCGKSA-N -1 3 309.365 4.280 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2)c2c([O-])cccc21 ZINC000186263857 340510152 /nfs/dbraw/zinc/51/01/52/340510152.db2.gz OQLRADFZIYBQTK-NSHDSACASA-N -1 3 301.773 4.200 20 0 DIADHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1F ZINC000186270723 340510283 /nfs/dbraw/zinc/51/02/83/340510283.db2.gz BGRNBPBWGNLSHO-STQMWFEESA-N -1 3 313.372 4.175 20 0 DIADHM Cc1ccc2cc(C(=O)N3CC[C@H](C)c4cccc([O-])c43)[nH]c2c1 ZINC000186279332 340510410 /nfs/dbraw/zinc/51/04/10/340510410.db2.gz HPRMTWDSSLNXTM-ZDUSSCGKSA-N -1 3 320.392 4.336 20 0 DIADHM FC(F)c1nnc([N-]Cc2cc(-c3ccccc3)cs2)o1 ZINC000189298434 340533191 /nfs/dbraw/zinc/53/31/91/340533191.db2.gz MDNNJZGHWRSWGA-UHFFFAOYSA-N -1 3 307.325 4.348 20 0 DIADHM CCc1onc(C)c1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000194338196 340591331 /nfs/dbraw/zinc/59/13/31/340591331.db2.gz GYMGYHWAEGUKPB-UHFFFAOYSA-N -1 3 310.806 4.173 20 0 DIADHM Clc1ccc(OCc2nc(S[C@H]3C=CCCC3)n[n-]2)cc1 ZINC000524443852 340654524 /nfs/dbraw/zinc/65/45/24/340654524.db2.gz ZPFFKAFJOIWXIW-ZDUSSCGKSA-N -1 3 321.833 4.238 20 0 DIADHM CCO[C@@H](C)C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000524500424 340655462 /nfs/dbraw/zinc/65/54/62/340655462.db2.gz NETXUVPLGUEEKM-LBPRGKRZSA-N -1 3 316.401 4.003 20 0 DIADHM Cc1cc(NC(=O)c2cccc([O-])c2)cc(C)c1Br ZINC000235901956 340661848 /nfs/dbraw/zinc/66/18/48/340661848.db2.gz TUSHHJUTAIPOST-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc([O-])c(CNc2ccccc2Cc2ccccc2)n1 ZINC000237768862 340673801 /nfs/dbraw/zinc/67/38/01/340673801.db2.gz OYBFVXZMYYAVGU-UHFFFAOYSA-N -1 3 304.393 4.299 20 0 DIADHM COc1cccc(-c2nc(C3CCC(C)(C)CC3)no2)c1[O-] ZINC000315953493 340677607 /nfs/dbraw/zinc/67/76/07/340677607.db2.gz VNERFYYEULPGLJ-UHFFFAOYSA-N -1 3 302.374 4.135 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccncc2Cl)CC)n1 ZINC000530092857 340779047 /nfs/dbraw/zinc/77/90/47/340779047.db2.gz FBJHEMDFLLPPGE-FLIBITNWSA-N -1 3 303.793 4.134 20 0 DIADHM O=C(CCc1cc2ccccc2o1)N1CCCc2cccc([O-])c21 ZINC000538715616 340840080 /nfs/dbraw/zinc/84/00/80/340840080.db2.gz PJNCMMLDXAYHDI-UHFFFAOYSA-N -1 3 321.376 4.050 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(ccc3ccccc23)[nH]1 ZINC000128210103 340862061 /nfs/dbraw/zinc/86/20/61/340862061.db2.gz DIVHRQLOJPSKFP-UHFFFAOYSA-N -1 3 320.323 4.418 20 0 DIADHM CSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1C ZINC000539191989 340875707 /nfs/dbraw/zinc/87/57/07/340875707.db2.gz XGJCTCSTLNZESA-UHFFFAOYSA-N -1 3 321.467 4.135 20 0 DIADHM CCOc1ccc(N(CC)C(=O)c2cccc(CC)c2[O-])cc1 ZINC000539845321 340905619 /nfs/dbraw/zinc/90/56/19/340905619.db2.gz HQBPKEYHTMIZIN-UHFFFAOYSA-N -1 3 313.397 4.020 20 0 DIADHM Cn1cc(/C=C/c2ccc3cccc([O-])c3n2)c(C(C)(C)C)n1 ZINC000539853401 340906534 /nfs/dbraw/zinc/90/65/34/340906534.db2.gz BRLPGHJEGLZNNM-PKNBQFBNSA-N -1 3 307.397 4.142 20 0 DIADHM CCCCN(C)c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000129324293 340953632 /nfs/dbraw/zinc/95/36/32/340953632.db2.gz QXQWICACZAZSEH-UHFFFAOYSA-N -1 3 316.376 4.020 20 0 DIADHM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC000541028687 340956971 /nfs/dbraw/zinc/95/69/71/340956971.db2.gz NJNCPOASNARSSH-SECBINFHSA-N -1 3 301.308 4.176 20 0 DIADHM O=C(Nc1ncccc1[O-])c1cc(-c2ccccc2)ccc1Cl ZINC000541238003 340963375 /nfs/dbraw/zinc/96/33/75/340963375.db2.gz RUCMJGCQAGGBKH-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cc(Cl)c1 ZINC000129635798 340978027 /nfs/dbraw/zinc/97/80/27/340978027.db2.gz PXIIIRPNPVNLBN-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC(C)(C)c1ccc(CC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000542098217 340995271 /nfs/dbraw/zinc/99/52/71/340995271.db2.gz NVNAFCKKJKGXKV-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM Cc1ccc(-c2csc(NC(=O)c3cccc([O-])c3)n2)c(C)c1 ZINC000542816924 341021991 /nfs/dbraw/zinc/02/19/91/341021991.db2.gz JUSNCBUWBKZDGE-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)C[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000543954989 341064026 /nfs/dbraw/zinc/06/40/26/341064026.db2.gz 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/nfs/dbraw/zinc/29/52/44/341295244.db2.gz STQRCLODBPQLOO-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCCc2ccccc21 ZINC000550431627 341316787 /nfs/dbraw/zinc/31/67/87/341316787.db2.gz QGXLURQKAPPVHP-GOSISDBHSA-N -1 3 315.800 4.027 20 0 DIADHM C[C@]1(NC(=O)c2cc([O-])ccc2Cl)CCCc2ccccc21 ZINC000550431628 341316899 /nfs/dbraw/zinc/31/68/99/341316899.db2.gz QGXLURQKAPPVHP-SFHVURJKSA-N -1 3 315.800 4.027 20 0 DIADHM CCOc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1Cl ZINC000551230741 341334554 /nfs/dbraw/zinc/33/45/54/341334554.db2.gz COOMMIADLUTMNV-UHFFFAOYSA-N -1 3 314.772 4.363 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cnc(-c2ccco2)s1 ZINC000552431292 341393351 /nfs/dbraw/zinc/39/33/51/341393351.db2.gz CLWQFZXHQPSUMS-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM Cc1ccc(C[C@H](C)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000554954802 341470327 /nfs/dbraw/zinc/47/03/27/341470327.db2.gz RLJPAULUTLGWQN-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM C[C@@H](NCc1ncccc1[O-])c1cc(F)c(Cl)cc1Cl ZINC000565567012 341531383 /nfs/dbraw/zinc/53/13/83/341531383.db2.gz RFGHHTIZSSTNSE-MRVPVSSYSA-N -1 3 315.175 4.084 20 0 DIADHM CCOc1ccccc1[C@@H](CC(C)C)NCc1ncccc1[O-] ZINC000567000784 341573899 /nfs/dbraw/zinc/57/38/99/341573899.db2.gz RXFZZOBWSJPEGH-MRXNPFEDSA-N -1 3 314.429 4.063 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1c(F)cccc1Cl ZINC000153573763 341575226 /nfs/dbraw/zinc/57/52/26/341575226.db2.gz SDUCVSUJNWNKIN-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cc2cc(C(=O)N3CCCc4cccc([O-])c43)oc2cc1C ZINC000155584504 341609865 /nfs/dbraw/zinc/60/98/65/341609865.db2.gz BEWQENPOOUPMQM-UHFFFAOYSA-N -1 3 321.376 4.348 20 0 DIADHM Cc1ccc2nc(-c3ccc(C(C)(F)F)cc3)[n-]c(=O)c2c1 ZINC000567529827 341612573 /nfs/dbraw/zinc/61/25/73/341612573.db2.gz KPHUBXJZWJQQQH-UHFFFAOYSA-N -1 3 300.308 4.010 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(-c2cccs2)on1 ZINC000171534100 341779358 /nfs/dbraw/zinc/77/93/58/341779358.db2.gz MXTWAWUTQYKCEZ-UHFFFAOYSA-N -1 3 324.283 4.073 20 0 DIADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000284248655 534616233 /nfs/dbraw/zinc/61/62/33/534616233.db2.gz OFGKKWCLENHYLV-LLVKDONJSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1C ZINC000267128225 526640126 /nfs/dbraw/zinc/64/01/26/526640126.db2.gz VJXWHCJZEGAEBW-CQSZACIVSA-N -1 3 316.401 4.129 20 0 DIADHM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000182905877 526678664 /nfs/dbraw/zinc/67/86/64/526678664.db2.gz PCFWICAEGBYGEZ-LBPRGKRZSA-N -1 3 318.442 4.114 20 0 DIADHM O=C([N-]c1csc2ccccc12)c1nc2cccnc2s1 ZINC000338181357 527496035 /nfs/dbraw/zinc/49/60/35/527496035.db2.gz SHKKIGYAZIOQOQ-UHFFFAOYSA-N -1 3 311.391 4.158 20 0 DIADHM O=[S@@](Cc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000108083331 1035723332 /nfs/dbraw/zinc/72/33/32/1035723332.db2.gz UZFKTENYRMOAKX-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722636253 1035748098 /nfs/dbraw/zinc/74/80/98/1035748098.db2.gz 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[O-]c1cccnc1CN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000581911547 1038135102 /nfs/dbraw/zinc/13/51/02/1038135102.db2.gz ZSRQYCVSJYGLIZ-INIZCTEOSA-N -1 3 302.805 4.168 20 0 DIADHM CCSc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000276945874 1038292597 /nfs/dbraw/zinc/29/25/97/1038292597.db2.gz DACGZTXWVRMDPJ-OAHLLOKOSA-N -1 3 321.467 4.166 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(-c2ccoc2)n1 ZINC000342064560 1038384126 /nfs/dbraw/zinc/38/41/26/1038384126.db2.gz QCPDRBVZQNPKFH-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761601 1038503232 /nfs/dbraw/zinc/50/32/32/1038503232.db2.gz GOFDPSJIMXGCHC-OAHLLOKOSA-N -1 3 316.228 4.070 20 0 DIADHM C[C@@H](CN(C)Cc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000563277963 1038607758 /nfs/dbraw/zinc/60/77/58/1038607758.db2.gz RBCKUYKBTHGFEC-ZDUSSCGKSA-N -1 3 317.816 4.274 20 0 DIADHM [O-]c1ccc(CNc2cccc(N3CCCCC3)c2)cc1F ZINC000892276596 1038747572 /nfs/dbraw/zinc/74/75/72/1038747572.db2.gz GJRUPNXNOUCJNW-UHFFFAOYSA-N -1 3 300.377 4.134 20 0 DIADHM CCCC(=O)Nc1cccc(NCc2ccc([O-])c(F)c2)c1C ZINC000892276154 1038748028 /nfs/dbraw/zinc/74/80/28/1038748028.db2.gz GRKHYQSBDFTDLZ-UHFFFAOYSA-N -1 3 316.376 4.190 20 0 DIADHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc([O-])ccc1Cl ZINC000277854176 1038853965 /nfs/dbraw/zinc/85/39/65/1038853965.db2.gz YVHQSOLKLYIFHI-MRXNPFEDSA-N -1 3 318.804 4.054 20 0 DIADHM Cc1cc(Cl)nc(Cl)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373639 1038931047 /nfs/dbraw/zinc/93/10/47/1038931047.db2.gz PSIURROAGDHZKV-UHFFFAOYSA-N -1 3 305.111 4.424 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC[C@@H]2CCCC2(C)C)c1 ZINC001167620029 1038943356 /nfs/dbraw/zinc/94/33/56/1038943356.db2.gz AQIOOYNVDDPENC-LBPRGKRZSA-N -1 3 307.459 4.060 20 0 DIADHM Cc1nc2c(F)cccc2cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213377544 1039148280 /nfs/dbraw/zinc/14/82/80/1039148280.db2.gz STZYEOHVCKNGGW-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000535319342 1039187490 /nfs/dbraw/zinc/18/74/90/1039187490.db2.gz 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CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@](C)(C(=O)[O-])C1 ZINC000564738703 1041405708 /nfs/dbraw/zinc/40/57/08/1041405708.db2.gz MNTIKBLICYWWTR-HIFRSBDPSA-N -1 3 316.228 4.241 20 0 DIADHM CSC(C)(C)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810655010 1041417458 /nfs/dbraw/zinc/41/74/58/1041417458.db2.gz FIYWPQMGJCHNIB-UHFFFAOYSA-N -1 3 303.836 4.181 20 0 DIADHM CC[C@H](NCc1cccc([O-])c1Cl)c1ccccc1OC ZINC000328201261 1041426896 /nfs/dbraw/zinc/42/68/96/1041426896.db2.gz GFGIMJRLBHWMPL-AWEZNQCLSA-N -1 3 305.805 4.295 20 0 DIADHM CSC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000810853163 1041456829 /nfs/dbraw/zinc/45/68/29/1041456829.db2.gz PTTCTGFTEPMAHS-UHFFFAOYSA-N -1 3 315.847 4.325 20 0 DIADHM Cc1cnc([C@H](C)OC(=O)c2cc3cc(Cl)sc3[n-]2)o1 ZINC000811393823 1041513848 /nfs/dbraw/zinc/51/38/48/1041513848.db2.gz FDHPKRBVNIWABU-ZETCQYMHSA-N -1 3 310.762 4.097 20 0 DIADHM CC(C)SCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394447 1041514730 /nfs/dbraw/zinc/51/47/30/1041514730.db2.gz SARRQWQWRNKQTL-UHFFFAOYSA-N -1 3 303.836 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/nfs/dbraw/zinc/07/18/70/1042071870.db2.gz SFASUCUORAFDGE-UHFFFAOYSA-N -1 3 319.229 4.023 20 0 DIADHM C[C@H](CC(=O)[N-]Oc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000816683818 1042077688 /nfs/dbraw/zinc/07/76/88/1042077688.db2.gz AEFDOVLNYBNULJ-GFCCVEGCSA-N -1 3 323.314 4.309 20 0 DIADHM CC(F)(F)C(=O)[N-][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000816747789 1042079901 /nfs/dbraw/zinc/07/99/01/1042079901.db2.gz ARKZAPGLLFLSTO-LLVKDONJSA-N -1 3 308.155 4.216 20 0 DIADHM C/C(=C\C(=O)Nc1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000816769065 1042080388 /nfs/dbraw/zinc/08/03/88/1042080388.db2.gz SJULUGHUKHFLEC-CSKARUKUSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1cc(F)ccc1N=Cc1cc(Br)ccc1[O-] ZINC000254289453 1042080973 /nfs/dbraw/zinc/08/09/73/1042080973.db2.gz ZEPRUXMUCNMSBZ-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM O=C([N-]c1nc(C2CC2)cs1)c1snc(Cl)c1Cl ZINC000816858300 1042084667 /nfs/dbraw/zinc/08/46/67/1042084667.db2.gz IWXISDJWJHJCMX-UHFFFAOYSA-N -1 3 320.226 4.036 20 0 DIADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OCCC1CC1 ZINC000817436907 1042110359 /nfs/dbraw/zinc/11/03/59/1042110359.db2.gz CWMZMUFOJYDJTG-UHFFFAOYSA-N -1 3 322.257 4.226 20 0 DIADHM CCN(Cc1ccccc1C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001136183341 1042166423 /nfs/dbraw/zinc/16/64/23/1042166423.db2.gz ALJQAEIFRVGMJD-UHFFFAOYSA-N -1 3 311.425 4.486 20 0 DIADHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)=C1CCC1 ZINC000819481905 1042185235 /nfs/dbraw/zinc/18/52/35/1042185235.db2.gz QJBUADMEOMIULN-LBPRGKRZSA-N -1 3 323.236 4.092 20 0 DIADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(C)cc1[O-] ZINC001136255746 1042192528 /nfs/dbraw/zinc/19/25/28/1042192528.db2.gz CQHPLEDAVALODA-OAHLLOKOSA-N -1 3 313.397 4.046 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC2CCCCCCC2)c1 ZINC001136330511 1042212095 /nfs/dbraw/zinc/21/20/95/1042212095.db2.gz OQGNAYYEASLXLC-UHFFFAOYSA-N -1 3 307.459 4.204 20 0 DIADHM O=C(/C=C/c1ccccc1Cl)Nc1c([O-])cccc1Cl ZINC000820509906 1042218664 /nfs/dbraw/zinc/21/86/64/1042218664.db2.gz JYMDCIFVOLRJGU-CMDGGOBGSA-N -1 3 308.164 4.351 20 0 DIADHM O=C(/C=C/c1ccc(Cl)s1)Nc1c([O-])cccc1Cl ZINC000820509621 1042218694 /nfs/dbraw/zinc/21/86/94/1042218694.db2.gz HPYDIDQCZJYRMD-FNORWQNLSA-N -1 3 314.193 4.412 20 0 DIADHM C/C(=C\c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000820509439 1042220688 /nfs/dbraw/zinc/22/06/88/1042220688.db2.gz FVKRHRBSSSBBMI-MDZDMXLPSA-N -1 3 305.736 4.227 20 0 DIADHM C/C(=C/c1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000820509436 1042221068 /nfs/dbraw/zinc/22/10/68/1042221068.db2.gz FVKRHRBSSSBBMI-KTKRTIGZSA-N -1 3 305.736 4.227 20 0 DIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000003750607 1042228103 /nfs/dbraw/zinc/22/81/03/1042228103.db2.gz VGIWTYWHXSEQSQ-QMTHXVAHSA-N -1 3 316.228 4.241 20 0 DIADHM CCc1ccc(C(=O)NC[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001136488516 1042261721 /nfs/dbraw/zinc/26/17/21/1042261721.db2.gz PQOXQQRSXBIURQ-BHYGNILZSA-N -1 3 317.473 4.393 20 0 DIADHM CC[C@@H](N[C@@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000279045018 1042263771 /nfs/dbraw/zinc/26/37/71/1042263771.db2.gz GJSTYWYALVKTRC-VHSXEESVSA-N -1 3 311.838 4.007 20 0 DIADHM CC[C@H](CNC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001136514029 1042269888 /nfs/dbraw/zinc/26/98/88/1042269888.db2.gz RZSIHEGKSBLFRZ-CYBMUJFWSA-N -1 3 315.438 4.038 20 0 DIADHM CCSc1ccc([C@@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001136716013 1042323603 /nfs/dbraw/zinc/32/36/03/1042323603.db2.gz IUQMCBYFGQLLER-CYBMUJFWSA-N -1 3 315.438 4.304 20 0 DIADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC001136713440 1042324410 /nfs/dbraw/zinc/32/44/10/1042324410.db2.gz FFMKTBOMSDNDBT-LJQANCHMSA-N -1 3 317.388 4.271 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c([O-])c1 ZINC001136735289 1042330692 /nfs/dbraw/zinc/33/06/92/1042330692.db2.gz STLUWECAHOFKMG-NRFANRHFSA-N -1 3 323.436 4.149 20 0 DIADHM Cc1cccc2nc(-c3cccc(C(F)(F)F)c3)[n-]c(=O)c12 ZINC000614113365 1042410958 /nfs/dbraw/zinc/41/09/58/1042410958.db2.gz PSJNYCADLPUMCV-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM O=C(CCCc1ccccc1)[N-]OCc1ccc(F)cc1Cl ZINC000729263871 1042517002 /nfs/dbraw/zinc/51/70/02/1042517002.db2.gz OAKAJAVWGCVVHQ-UHFFFAOYSA-N -1 3 321.779 4.050 20 0 DIADHM CN(CCCOCc1ccccc1)Cc1cccc([O-])c1Cl ZINC000513478659 1042546156 /nfs/dbraw/zinc/54/61/56/1042546156.db2.gz FQTYZNQFGBDQKC-UHFFFAOYSA-N -1 3 319.832 4.084 20 0 DIADHM CC(C=Cc1nc(C)cc(=O)[n-]1)=Cc1ccccc1OC(F)F ZINC000515051189 1042806677 /nfs/dbraw/zinc/80/66/77/1042806677.db2.gz VSEQHEKQHFOZCF-NSXXKTIASA-N -1 3 318.323 4.209 20 0 DIADHM CCCOc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000517632210 1042890097 /nfs/dbraw/zinc/89/00/97/1042890097.db2.gz ZDMCXNZMZJKNNF-UHFFFAOYSA-N -1 3 305.761 4.087 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1c1cccs1 ZINC000518948738 1042926255 /nfs/dbraw/zinc/92/62/55/1042926255.db2.gz BAIKJMOHDFUSAL-HNNXBMFYSA-N -1 3 309.381 4.315 20 0 DIADHM CC(C)CC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000185479284 1043201981 /nfs/dbraw/zinc/20/19/81/1043201981.db2.gz ODXWWGDMXYEUPQ-UHFFFAOYSA-N -1 3 316.376 4.128 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(Cl)ncc1Cl ZINC000121845945 1043263837 /nfs/dbraw/zinc/26/38/37/1043263837.db2.gz CNLAXCAJHSGMDK-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1conc1C1CCCC1 ZINC000868544530 1043287065 /nfs/dbraw/zinc/28/70/65/1043287065.db2.gz HBQKQKYCXYLALT-UHFFFAOYSA-N -1 3 310.275 4.002 20 0 DIADHM C[C@@H](N[C@H]1CCSc2ccccc21)c1cccc([O-])c1F ZINC000872021879 1043420622 /nfs/dbraw/zinc/42/06/22/1043420622.db2.gz FPQCFMPXHQOULG-RISCZKNCSA-N -1 3 303.402 4.419 20 0 DIADHM CC[C@H](N[C@H](C)c1cccc([O-])c1F)c1ccccc1OC ZINC000872021789 1043421715 /nfs/dbraw/zinc/42/17/15/1043421715.db2.gz QVYCZHKVKMBWKV-DOMZBBRYSA-N -1 3 303.377 4.342 20 0 DIADHM C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([O-])c1F ZINC000872027293 1043422857 /nfs/dbraw/zinc/42/28/57/1043422857.db2.gz CQPGULYNCZRXOT-SOVGHPHASA-N -1 3 315.388 4.102 20 0 DIADHM C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc([O-])c1F ZINC000872027291 1043424308 /nfs/dbraw/zinc/42/43/08/1043424308.db2.gz CQPGULYNCZRXOT-IXDGSTSKSA-N -1 3 315.388 4.102 20 0 DIADHM C[C@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872027718 1043424750 /nfs/dbraw/zinc/42/47/50/1043424750.db2.gz LPPVULMXNNKFJV-XHDPSFHLSA-N -1 3 319.351 4.235 20 0 DIADHM C[C@@H](N[C@@H]1CCCOc2ccccc21)c1cccc([O-])c1F ZINC000872030565 1043426460 /nfs/dbraw/zinc/42/64/60/1043426460.db2.gz HSNYLEPABSZWBE-IUODEOHRSA-N -1 3 301.361 4.096 20 0 DIADHM C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cccc([O-])c1F ZINC000872029172 1043426807 /nfs/dbraw/zinc/42/68/07/1043426807.db2.gz WJXZXEHCWZOBCP-IINYFYTJSA-N -1 3 321.779 4.359 20 0 DIADHM COc1cc(Cl)ccc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872034005 1043428711 /nfs/dbraw/zinc/42/87/11/1043428711.db2.gz FAXMWQBGVWMYAW-JTQLQIEISA-N -1 3 309.768 4.044 20 0 DIADHM Cc1cccnc1[C@@H](N[C@@H](C)c1cccc([O-])c1F)C(C)C ZINC000872033899 1043428770 /nfs/dbraw/zinc/42/87/70/1043428770.db2.gz HIGMEOQAXJDNKI-GUYCJALGSA-N -1 3 302.393 4.283 20 0 DIADHM COc1cc(Cl)ccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872034008 1043428972 /nfs/dbraw/zinc/42/89/72/1043428972.db2.gz FAXMWQBGVWMYAW-SNVBAGLBSA-N -1 3 309.768 4.044 20 0 DIADHM Cc1nc2c(s1)[C@@H](N[C@H](C)c1cccc([O-])c1F)CCC2 ZINC000872060089 1043444332 /nfs/dbraw/zinc/44/43/32/1043444332.db2.gz LUGOLWDDJMZQLZ-SKDRFNHKSA-N -1 3 306.406 4.024 20 0 DIADHM COC[C@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000872066103 1043445538 /nfs/dbraw/zinc/44/55/38/1043445538.db2.gz DYOXBELFESGAFN-ABAIWWIYSA-N -1 3 323.795 4.223 20 0 DIADHM C[C@@H](NCc1csc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872091618 1043455679 /nfs/dbraw/zinc/45/56/79/1043455679.db2.gz XZBAYZXNOKWOOW-MRVPVSSYSA-N -1 3 319.323 4.462 20 0 DIADHM C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc([O-])c1F ZINC000872088629 1043455751 /nfs/dbraw/zinc/45/57/51/1043455751.db2.gz UIYZVUQOAJZGHD-KPZWWZAWSA-N -1 3 300.377 4.118 20 0 DIADHM C[C@H](N[C@H](c1ccccn1)C1CCC1)c1cccc([O-])c1F ZINC000872088631 1043455995 /nfs/dbraw/zinc/45/59/95/1043455995.db2.gz UIYZVUQOAJZGHD-SGTLLEGYSA-N -1 3 300.377 4.118 20 0 DIADHM C[C@H](NCc1csc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872091620 1043457646 /nfs/dbraw/zinc/45/76/46/1043457646.db2.gz XZBAYZXNOKWOOW-QMMMGPOBSA-N -1 3 319.323 4.462 20 0 DIADHM CC1(C)CCC[C@@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001299415435 1043565252 /nfs/dbraw/zinc/56/52/52/1043565252.db2.gz FWPZFGSTVYIWTF-OAHLLOKOSA-N -1 3 321.436 4.187 20 0 DIADHM O=C(NC[C@H]1CCCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000452314059 1043605022 /nfs/dbraw/zinc/60/50/22/1043605022.db2.gz QMYMDBCPNAGPBN-CQSZACIVSA-N -1 3 319.351 4.101 20 0 DIADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3)c(Cl)c2)S1 ZINC000874929495 1043605762 /nfs/dbraw/zinc/60/57/62/1043605762.db2.gz FENDDCWZHOUCHS-ZROIWOOFSA-N -1 3 315.781 4.331 20 0 DIADHM CCC(=O)N(C)c1ccc(N[C@H](C)c2cc([O-])cc(F)c2)cc1 ZINC000926850868 1043642258 /nfs/dbraw/zinc/64/22/58/1043642258.db2.gz GMSCYIXRZUXNMK-GFCCVEGCSA-N -1 3 316.376 4.077 20 0 DIADHM CC(C)c1ccc2c(c1)[C@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000559407547 1043722064 /nfs/dbraw/zinc/72/20/64/1043722064.db2.gz JAHMFYZUQBGFIE-CYBMUJFWSA-N -1 3 307.344 4.620 20 0 DIADHM Cc1cccc2nc(-c3ccc([O-])c(Br)c3)[nH]c21 ZINC000261367511 1043756663 /nfs/dbraw/zinc/75/66/63/1043756663.db2.gz UQVKRJLBVFGOTD-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM O=C([N-]c1nnc(C2CC2)s1)c1cc2c(cccc2F)s1 ZINC000024022172 1044043162 /nfs/dbraw/zinc/04/31/62/1044043162.db2.gz VOOOWPMFQQXNIH-UHFFFAOYSA-N -1 3 319.386 4.022 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSCC2CCCCC2)o1 ZINC000882110672 1044150321 /nfs/dbraw/zinc/15/03/21/1044150321.db2.gz LLHZONGYSOQUTI-UHFFFAOYSA-N -1 3 304.415 4.256 20 0 DIADHM CC(F)(F)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293115413 1044247801 /nfs/dbraw/zinc/24/78/01/1044247801.db2.gz YUXGCVPQQGXMHN-UHFFFAOYSA-N -1 3 311.759 4.447 20 0 DIADHM CCCNc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000293207701 1044259571 /nfs/dbraw/zinc/25/95/71/1044259571.db2.gz JANZQKNVHXJZKQ-UHFFFAOYSA-N -1 3 304.821 4.157 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(C2CC2)oc1C1CC1 ZINC000935098922 1044312579 /nfs/dbraw/zinc/31/25/79/1044312579.db2.gz FLZWKUVJPJWEMJ-UHFFFAOYSA-N -1 3 301.317 4.131 20 0 DIADHM COc1ccc([C@H](NCc2cccc([O-])c2Cl)C2CC2)cc1 ZINC000294249274 1044398717 /nfs/dbraw/zinc/39/87/17/1044398717.db2.gz UMXBERLQFUTLDP-GOSISDBHSA-N -1 3 317.816 4.295 20 0 DIADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000565101278 1044412534 /nfs/dbraw/zinc/41/25/34/1044412534.db2.gz DMDTWIPYRHBSTJ-GOEBONIOSA-N -1 3 301.411 4.019 20 0 DIADHM CC(C)N(Cc1occc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000565365764 1044429005 /nfs/dbraw/zinc/42/90/05/1044429005.db2.gz GWEMVNTZODVLRL-UHFFFAOYSA-N -1 3 307.777 4.042 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000566025602 1044469477 /nfs/dbraw/zinc/46/94/77/1044469477.db2.gz CVFVYVQYYYABSD-QWRGUYRKSA-N -1 3 323.726 4.066 20 0 DIADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000566359603 1044485874 /nfs/dbraw/zinc/48/58/74/1044485874.db2.gz KENAKHMMFMNEOG-BFVZDQMLSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1oc2ccccc2c1C(=O)Nc1c([O-])cccc1Cl ZINC000567548754 1044572960 /nfs/dbraw/zinc/57/29/60/1044572960.db2.gz PSXYEUNLQNKXKV-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001137225329 1044606768 /nfs/dbraw/zinc/60/67/68/1044606768.db2.gz LHJGXOPMJPUMPU-CQSZACIVSA-N -1 3 317.388 4.305 20 0 DIADHM CCOc1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1C ZINC000569144642 1044678468 /nfs/dbraw/zinc/67/84/68/1044678468.db2.gz HDVXKXQSLNHUFY-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCN(Cc1c[nH]c2ccccc12)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000571571052 1044818200 /nfs/dbraw/zinc/81/82/00/1044818200.db2.gz NOCABWGQECPPRT-LBPRGKRZSA-N -1 3 312.369 4.042 20 0 DIADHM CC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1[O-] ZINC000573131584 1044892882 /nfs/dbraw/zinc/89/28/82/1044892882.db2.gz NETRRPNLTBFWJX-UHFFFAOYSA-N -1 3 323.392 4.045 20 0 DIADHM C[C@@H]1CCc2sc(C(=O)Nc3c([O-])cccc3Cl)cc2C1 ZINC000573349173 1044903051 /nfs/dbraw/zinc/90/30/51/1044903051.db2.gz 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320.230 4.095 20 0 DIADHM [O-]c1ccc(Nc2ccc(F)c(Br)c2)c(F)c1F ZINC001212007521 1046814533 /nfs/dbraw/zinc/81/45/33/1046814533.db2.gz LEWRFHYMNNJIES-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1cc(Br)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212009916 1046817667 /nfs/dbraw/zinc/81/76/67/1046817667.db2.gz YVQTWZPVBJBPSK-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM COc1cccc(Nc2ccc([O-])c(F)c2F)c1C(F)(F)F ZINC001212011070 1046818394 /nfs/dbraw/zinc/81/83/94/1046818394.db2.gz PSIXKOZRBSLNIA-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CNc1ccc(C(F)(F)F)cc1Nc1ccc([O-])c(F)c1F ZINC001212011141 1046819097 /nfs/dbraw/zinc/81/90/97/1046819097.db2.gz USNFFNNRYDNYKF-UHFFFAOYSA-N -1 3 318.245 4.475 20 0 DIADHM [O-]c1ccc(Nc2cc(Cl)c(Cl)cc2O)c(F)c1F ZINC001212011175 1046820016 /nfs/dbraw/zinc/82/00/16/1046820016.db2.gz WNELQTQPPROBQB-UHFFFAOYSA-N -1 3 306.095 4.426 20 0 DIADHM CC1(C)CC(=O)Nc2c(Nc3ccc([O-])c(F)c3F)cccc21 ZINC001212016445 1046825728 /nfs/dbraw/zinc/82/57/28/1046825728.db2.gz 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Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c([O-])c1 ZINC001149701843 1047568074 /nfs/dbraw/zinc/56/80/74/1047568074.db2.gz HONPHHBSJOIKBF-DYESRHJHSA-N -1 3 321.420 4.242 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)cc(Cl)c1F ZINC001151093381 1047591725 /nfs/dbraw/zinc/59/17/25/1047591725.db2.gz TWPMPJIPZUQODE-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM Cc1cc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)o1 ZINC000237569933 1047594700 /nfs/dbraw/zinc/59/47/00/1047594700.db2.gz HWTCGQXEDXTYNQ-VIFPVBQESA-N -1 3 324.764 4.014 20 0 DIADHM Cc1cc([C@@H](C)NCc2cccc([O-])c2Br)c(C)o1 ZINC000315048131 1047595648 /nfs/dbraw/zinc/59/56/48/1047595648.db2.gz RNHQHNNAOBELMT-SNVBAGLBSA-N -1 3 324.218 4.215 20 0 DIADHM O=C(/C=C/Sc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001153461266 1047624926 /nfs/dbraw/zinc/62/49/26/1047624926.db2.gz LEQSYRSKPOJZCH-CMDGGOBGSA-N -1 3 305.786 4.290 20 0 DIADHM O=C(CCCCCc1cccs1)[N-]OCc1ccc(F)cc1 ZINC001153999586 1047636554 /nfs/dbraw/zinc/63/65/54/1047636554.db2.gz 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Cc1ccc([O-])c(C(=O)Nc2scnc2-c2ccccc2)c1 ZINC000538789238 1047712795 /nfs/dbraw/zinc/71/27/95/1047712795.db2.gz RRYPRLOJIHLPIA-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(F)cc1Cl ZINC000552781809 1047794855 /nfs/dbraw/zinc/79/48/55/1047794855.db2.gz ZTHLETFYZHLYKM-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC1(C)C[C@@]1(NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001183065172 1047886020 /nfs/dbraw/zinc/88/60/20/1047886020.db2.gz HRHWGASWKFIRIC-GOSISDBHSA-N -1 3 303.352 4.085 20 0 DIADHM CCOc1cccc(/C=C\C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001159658095 1047895754 /nfs/dbraw/zinc/89/57/54/1047895754.db2.gz PESZRZIXNSUJRS-KTKRTIGZSA-N -1 3 317.772 4.096 20 0 DIADHM Cc1ccc2c(CC(=O)Nc3c([O-])cccc3Cl)coc2c1 ZINC001159658164 1047895837 /nfs/dbraw/zinc/89/58/37/1047895837.db2.gz QUWFVUQBYYMJKH-UHFFFAOYSA-N -1 3 315.756 4.281 20 0 DIADHM CCCCOc1ccc(C(=O)NC2CCC3(CC3)CC2)c([O-])c1 ZINC001183389249 1047924956 /nfs/dbraw/zinc/92/49/56/1047924956.db2.gz PEIMIZYRBXNCML-UHFFFAOYSA-N -1 3 317.429 4.024 20 0 DIADHM [O-]c1ccc(F)c(CNc2cnc3c(ccc(F)c3F)c2)c1F ZINC001183673131 1047955874 /nfs/dbraw/zinc/95/58/74/1047955874.db2.gz PDJIJNLAQKWIBT-UHFFFAOYSA-N -1 3 322.261 4.109 20 0 DIADHM CCc1cccc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)c1[O-] ZINC001159959983 1047958329 /nfs/dbraw/zinc/95/83/29/1047958329.db2.gz PRGZESOANZZSHA-NSHDSACASA-N -1 3 315.800 4.199 20 0 DIADHM CCCCCCN(Cc1ccco1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC001198518337 1047971152 /nfs/dbraw/zinc/97/11/52/1047971152.db2.gz YGESDKIHJWSSET-HNNXBMFYSA-N -1 3 317.433 4.227 20 0 DIADHM Cc1cc2cccc(C(=O)Nc3cc([O-])cc(Cl)c3)c2[nH]1 ZINC001198571573 1047974807 /nfs/dbraw/zinc/97/48/07/1047974807.db2.gz MPDYZCAANFGGCN-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM CC(C)CON(CC1CCCCC1)C(=O)c1ccccc1[O-] ZINC001183885902 1047975168 /nfs/dbraw/zinc/97/51/68/1047975168.db2.gz DCQGVDHVHRTCBC-UHFFFAOYSA-N -1 3 305.418 4.002 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)c1 ZINC001174832066 1047986469 /nfs/dbraw/zinc/98/64/69/1047986469.db2.gz JPGAHAOPCYJQSE-QWHCGFSZSA-N -1 3 319.470 4.012 20 0 DIADHM CC(C)c1ccc(NC(=S)Nc2ccc([O-])c(F)c2)cc1 ZINC001198618741 1047991681 /nfs/dbraw/zinc/99/16/81/1047991681.db2.gz XQXXUQSUDRQIQS-UHFFFAOYSA-N -1 3 304.390 4.464 20 0 DIADHM c1ccc2c(c1)oc1c2cccc1[N-]c1noc2nccnc12 ZINC001174855210 1048002820 /nfs/dbraw/zinc/00/28/20/1048002820.db2.gz HBXYFVQZPSHSHT-UHFFFAOYSA-N -1 3 302.293 4.261 20 0 DIADHM COc1cc(F)c(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001174923478 1048032415 /nfs/dbraw/zinc/03/24/15/1048032415.db2.gz CFURERWQNOBMBP-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM CCCCOc1ccc(C(=O)NCCCC2CCCC2)c([O-])c1 ZINC001160329556 1048034739 /nfs/dbraw/zinc/03/47/39/1048034739.db2.gz KLFVNPDJLDBEDG-UHFFFAOYSA-N -1 3 319.445 4.271 20 0 DIADHM Nc1ccc2cc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)ccc2c1 ZINC001160398768 1048045789 /nfs/dbraw/zinc/04/57/89/1048045789.db2.gz JVPONDPKXMAGOQ-UHFFFAOYSA-N -1 3 316.364 4.057 20 0 DIADHM Oc1ccccc1-c1cc([N-]c2c(F)ccc(F)c2F)on1 ZINC001175027606 1048095302 /nfs/dbraw/zinc/09/53/02/1048095302.db2.gz DDWGZBXCKZAIIK-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(F)ccc2OCC(F)F)c(F)c1 ZINC001175099373 1048113699 /nfs/dbraw/zinc/11/36/99/1048113699.db2.gz CYFCBMORXWRCDW-UHFFFAOYSA-N -1 3 319.229 4.197 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC001175099671 1048115886 /nfs/dbraw/zinc/11/58/86/1048115886.db2.gz DHQXMPRQCCNASE-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC001175100386 1048115977 /nfs/dbraw/zinc/11/59/77/1048115977.db2.gz RIEANBKLXIRBPY-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM COc1cc(F)c(Cl)cc1Nc1c(F)cc([O-])cc1F ZINC001175102297 1048118191 /nfs/dbraw/zinc/11/81/91/1048118191.db2.gz GZQHXTIGBYQHQX-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(Nc3c(F)cc([O-])cc3F)cc21 ZINC001175103708 1048119343 /nfs/dbraw/zinc/11/93/43/1048119343.db2.gz WXHKWXVXMKCYPP-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(C(F)(F)F)c2O)c(F)c1 ZINC001175103724 1048119495 /nfs/dbraw/zinc/11/94/95/1048119495.db2.gz XKHHLWNPDOVFML-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@H]2CCC[C@@H]2CC)c([O-])c1 ZINC001161338413 1048122818 /nfs/dbraw/zinc/12/28/18/1048122818.db2.gz LFVIXXOZUNRWEI-LSDHHAIUSA-N -1 3 319.445 4.127 20 0 DIADHM CCCCOc1ccc(C(=O)NCC(C)(C)C2CCC2)c([O-])c1 ZINC001161339003 1048123335 /nfs/dbraw/zinc/12/33/35/1048123335.db2.gz UDWIOPTWEVGWCZ-UHFFFAOYSA-N -1 3 319.445 4.127 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2CC)c([O-])c1 ZINC001161338410 1048123510 /nfs/dbraw/zinc/12/35/10/1048123510.db2.gz LFVIXXOZUNRWEI-GJZGRUSLSA-N -1 3 319.445 4.127 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001161356940 1048125338 /nfs/dbraw/zinc/12/53/38/1048125338.db2.gz HNEHTJZFQXGULU-MJGOQNOKSA-N -1 3 323.436 4.363 20 0 DIADHM COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C(F)(F)F ZINC001175070772 1048126283 /nfs/dbraw/zinc/12/62/83/1048126283.db2.gz HFEHYKAXKBNMLQ-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1c(F)c(F)ccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001161593147 1048141176 /nfs/dbraw/zinc/14/11/76/1048141176.db2.gz RPUGDVAKUSFOFB-UHFFFAOYSA-N -1 3 313.303 4.384 20 0 DIADHM Nc1cc(Cl)c(Cl)cc1Nc1c(F)cc([O-])cc1F ZINC001175098054 1048142759 /nfs/dbraw/zinc/14/27/59/1048142759.db2.gz WQQOZHMFZRWWOU-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM CCOc1ccc(Nc2cc([O-])c(F)cc2F)c(F)c1F ZINC001175151864 1048143957 /nfs/dbraw/zinc/14/39/57/1048143957.db2.gz DGYKDLHXSIDPLB-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM CCOc1ccc(Nc2cc(=O)[n-]n2C2CCCC2)c(F)c1F ZINC001175151383 1048144122 /nfs/dbraw/zinc/14/41/22/1048144122.db2.gz WWGCOSXPWYAYAQ-UHFFFAOYSA-N -1 3 323.343 4.124 20 0 DIADHM Cc1ccc(F)c(NC(=O)[N-]c2cc(-c3cccs3)no2)c1 ZINC001185228850 1048148797 /nfs/dbraw/zinc/14/87/97/1048148797.db2.gz UNZOPOFCGHSJGJ-UHFFFAOYSA-N -1 3 317.345 4.495 20 0 DIADHM CCCCCC[C@@H](CC)CN(C)C(=O)c1c([O-])cccc1O ZINC001161683305 1048153573 /nfs/dbraw/zinc/15/35/73/1048153573.db2.gz CWTBUHORHAOBLM-CQSZACIVSA-N -1 3 307.434 4.166 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])ccc2Cl)CC12CCCC2 ZINC001161687427 1048155676 /nfs/dbraw/zinc/15/56/76/1048155676.db2.gz SKBCTVJFZBJYTB-HNNXBMFYSA-N -1 3 307.821 4.086 20 0 DIADHM Cc1cc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1Cl ZINC001185384307 1048168396 /nfs/dbraw/zinc/16/83/96/1048168396.db2.gz UVOJZRLSOWTZBT-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(O[C@H]3CCCCO3)c2)c(F)c1 ZINC001175189617 1048193752 /nfs/dbraw/zinc/19/37/52/1048193752.db2.gz HWGSITYCFXAYAG-INIZCTEOSA-N -1 3 321.323 4.319 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(OC)ccc2C2CC2)c1 ZINC001175300414 1048240786 /nfs/dbraw/zinc/24/07/86/1048240786.db2.gz PXMAEXTWLWTPIH-UHFFFAOYSA-N -1 3 311.381 4.093 20 0 DIADHM Nc1cc(F)c(C(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175267809 1048245316 /nfs/dbraw/zinc/24/53/16/1048245316.db2.gz IGBIBRMOYCSYQC-UHFFFAOYSA-N -1 3 322.208 4.154 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccccc2OC(F)(F)F)c1F ZINC001175266392 1048245713 /nfs/dbraw/zinc/24/57/13/1048245713.db2.gz ZPFKAZLKAMIFCD-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM Nc1cc(Cl)c(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175268551 1048247394 /nfs/dbraw/zinc/24/73/94/1048247394.db2.gz TWSCYDUIWYAZOH-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM COc1c(N)cc(C(C)(C)C)cc1Nc1c(F)ccc([O-])c1F ZINC001175270867 1048248021 /nfs/dbraw/zinc/24/80/21/1048248021.db2.gz LWDQZERNBGEYFH-UHFFFAOYSA-N -1 3 322.355 4.302 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Br)ccc1F ZINC001175398022 1048271999 /nfs/dbraw/zinc/27/19/99/1048271999.db2.gz DJKPFPHIQCJTAJ-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM O=C(NCCc1ccc(F)cc1)Nc1cc2ccccc2cc1[O-] ZINC001186276081 1048277807 /nfs/dbraw/zinc/27/78/07/1048277807.db2.gz YZWGJRRWKYOYOP-UHFFFAOYSA-N -1 3 324.355 4.049 20 0 DIADHM Fc1c(Cl)cc(Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001175430025 1048305736 /nfs/dbraw/zinc/30/57/36/1048305736.db2.gz AUWCAQRQYHYFMJ-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM Fc1c(Cl)c(Cl)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430185 1048305765 /nfs/dbraw/zinc/30/57/65/1048305765.db2.gz JGDHQLVMRRRIEZ-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)N[C@H]1CCCc2ccccc21 ZINC001186458889 1048309397 /nfs/dbraw/zinc/30/93/97/1048309397.db2.gz BMHLYUNXGPGKKI-INIZCTEOSA-N -1 3 316.788 4.245 20 0 DIADHM Cc1cccc(C)c1NC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001202193524 1048477555 /nfs/dbraw/zinc/47/75/55/1048477555.db2.gz JHEMNYFRHUPDEI-UHFFFAOYSA-N -1 3 313.382 4.263 20 0 DIADHM Brc1cccc2nc([N-]c3cscn3)sc21 ZINC001175938060 1048489885 /nfs/dbraw/zinc/48/98/85/1048489885.db2.gz PHJNVUOFPOSYNC-UHFFFAOYSA-N -1 3 312.217 4.259 20 0 DIADHM Cc1nnc(-c2cccc(Nc3ccc(C)c([O-])c3Cl)c2)o1 ZINC001175997451 1048526764 /nfs/dbraw/zinc/52/67/64/1048526764.db2.gz LJEBUYHIXBUGLF-UHFFFAOYSA-N -1 3 315.760 4.456 20 0 DIADHM Cc1nc2cc(Cl)c(NC(=O)c3c(C)cccc3[O-])cc2o1 ZINC001188648094 1048533528 /nfs/dbraw/zinc/53/35/28/1048533528.db2.gz CAKSQHQNFUMRQB-UHFFFAOYSA-N -1 3 316.744 4.056 20 0 DIADHM CNc1ccc(C(F)(F)F)cc1NC(=O)c1c(C)cccc1[O-] ZINC001188649386 1048534564 /nfs/dbraw/zinc/53/45/64/1048534564.db2.gz YKRZSXZUYFCCDP-UHFFFAOYSA-N -1 3 324.302 4.013 20 0 DIADHM Cc1nc2cc(NC(=O)c3c(C)cccc3[O-])c(C)cc2s1 ZINC001188654437 1048535474 /nfs/dbraw/zinc/53/54/74/1048535474.db2.gz AWPHONQYIWGLOF-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM Cc1cccc(-c2nsc(Sc3ccccc3[O-])n2)c1 ZINC001163877921 1048544807 /nfs/dbraw/zinc/54/48/07/1048544807.db2.gz DMQFVOCQSZPDLW-UHFFFAOYSA-N -1 3 300.408 4.370 20 0 DIADHM Cc1ccc(NC(=O)Nc2c([O-])cccc2Br)cc1 ZINC001202430363 1048558019 /nfs/dbraw/zinc/55/80/19/1048558019.db2.gz PXIAOPZDTXNQMV-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001202429874 1048558648 /nfs/dbraw/zinc/55/86/48/1048558648.db2.gz JILRSJAFVHUMET-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2NC2CCC2)c([O-])c1C ZINC001164564948 1048643043 /nfs/dbraw/zinc/64/30/43/1048643043.db2.gz HHPRSMJUGPQAOT-UHFFFAOYSA-N -1 3 310.397 4.226 20 0 DIADHM Cc1ccc(SCc2nnc(-c3ccccc3[O-])o2)c(C)c1 ZINC001164595617 1048648265 /nfs/dbraw/zinc/64/82/65/1048648265.db2.gz AVJWEDOGCSTNGB-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM COc1c(F)cc(Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001214971635 1048655284 /nfs/dbraw/zinc/65/52/84/1048655284.db2.gz BSKPBPVVENWDMG-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM CCc1cccc(C)c1NC(=O)[N-]c1cc(-c2ccco2)no1 ZINC001189947846 1048679465 /nfs/dbraw/zinc/67/94/65/1048679465.db2.gz LVHKKSATBFQPON-UHFFFAOYSA-N -1 3 311.341 4.449 20 0 DIADHM CC[C@H](C)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001165771246 1048715874 /nfs/dbraw/zinc/71/58/74/1048715874.db2.gz WGWFULJDISRBNR-AWEZNQCLSA-N -1 3 313.397 4.351 20 0 DIADHM O=c1cc(CSc2cc(Cl)ccc2F)nc(C2CC2)[n-]1 ZINC001166155331 1048737262 /nfs/dbraw/zinc/73/72/62/1048737262.db2.gz MLTMOBCKUCSZBB-UHFFFAOYSA-N -1 3 310.781 4.144 20 0 DIADHM CC(C)(C)Oc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001176638284 1048743591 /nfs/dbraw/zinc/74/35/91/1048743591.db2.gz PPJBGHSLFWBPMP-UHFFFAOYSA-N -1 3 323.396 4.499 20 0 DIADHM O=C(OCC[C@H]1CC1(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000851384594 1048774646 /nfs/dbraw/zinc/77/46/46/1048774646.db2.gz CFIQMOVGCQJIQP-ZETCQYMHSA-N -1 3 305.733 4.085 20 0 DIADHM CC(C)(C)c1ccc(/C=C\C(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109692 1048832372 /nfs/dbraw/zinc/83/23/72/1048832372.db2.gz MXKNLKSZAJCTPW-RAXLEYEMSA-N -1 3 313.372 4.247 20 0 DIADHM Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001177322353 1048869917 /nfs/dbraw/zinc/86/99/17/1048869917.db2.gz RESHORGRLJTEDC-ZDUSSCGKSA-N -1 3 315.388 4.454 20 0 DIADHM O=C([O-])c1c(F)cc(Nc2ccnc(C3CCC3)c2)cc1F ZINC001203322562 1048869864 /nfs/dbraw/zinc/86/98/64/1048869864.db2.gz GNVKRSIDFKOEHF-UHFFFAOYSA-N -1 3 304.296 4.069 20 0 DIADHM Cc1c(F)ccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1Cl ZINC001191375397 1048936885 /nfs/dbraw/zinc/93/68/85/1048936885.db2.gz ZYXFILSKSDUWQF-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM Cc1cc(F)c(CN[C@H](CCCC(C)C)C(=O)[O-])c(Cl)c1 ZINC000904035939 1048955811 /nfs/dbraw/zinc/95/58/11/1048955811.db2.gz JBURRROTXLAKIE-OAHLLOKOSA-N -1 3 315.816 4.157 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(OCC(F)(F)F)nc1 ZINC001203686425 1048963325 /nfs/dbraw/zinc/96/33/25/1048963325.db2.gz PDQIIZYNYOFTQD-UHFFFAOYSA-N -1 3 318.682 4.125 20 0 DIADHM CCCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001191980042 1049029320 /nfs/dbraw/zinc/02/93/20/1049029320.db2.gz IZLMZNONQVETHL-UHFFFAOYSA-N -1 3 304.312 4.113 20 0 DIADHM O=C(Nc1ccc2c(c1)C=CCCC2)c1[n-]cnc1C(F)(F)F ZINC000855859622 1049061766 /nfs/dbraw/zinc/06/17/66/1049061766.db2.gz XIKPHTXAZOGMKV-UHFFFAOYSA-N -1 3 321.302 4.030 20 0 DIADHM O=C(Nc1ccc2c(c1)C=CCCC2)c1nc[n-]c1C(F)(F)F ZINC000855859622 1049061776 /nfs/dbraw/zinc/06/17/76/1049061776.db2.gz XIKPHTXAZOGMKV-UHFFFAOYSA-N -1 3 321.302 4.030 20 0 DIADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC001212128949 1049075662 /nfs/dbraw/zinc/07/56/62/1049075662.db2.gz QXJGCBKHQNOHNM-NSHDSACASA-N -1 3 321.895 4.039 20 0 DIADHM CCN(CC)Cc1cc(-c2ccsc2C(=O)[O-])ccc1F ZINC001205615273 1049145251 /nfs/dbraw/zinc/14/52/51/1049145251.db2.gz YJLHHZHSHVBNPG-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CC(C)c1ccc(N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000857470182 1049155913 /nfs/dbraw/zinc/15/59/13/1049155913.db2.gz FUEPZZHRFPFINC-UHFFFAOYSA-N -1 3 303.789 4.446 20 0 DIADHM O=C(CCCc1ccc(Cl)cc1)[N-]OCc1ccc(F)cc1 ZINC000857485339 1049160376 /nfs/dbraw/zinc/16/03/76/1049160376.db2.gz UXOPZBPYKSSFHL-UHFFFAOYSA-N -1 3 321.779 4.050 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001179489259 1049170540 /nfs/dbraw/zinc/17/05/40/1049170540.db2.gz YEXWPVTWEFNXCO-SIKDUDHDSA-N -1 3 321.420 4.273 20 0 DIADHM CCc1ccc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)c([O-])c1 ZINC001179527034 1049174126 /nfs/dbraw/zinc/17/41/26/1049174126.db2.gz NNOBJQMDKNIADU-QGZVFWFLSA-N -1 3 323.436 4.363 20 0 DIADHM Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)c(Cl)c1[O-] ZINC001193143293 1049183051 /nfs/dbraw/zinc/18/30/51/1049183051.db2.gz BGFSTXOSSALTTL-SNVBAGLBSA-N -1 3 322.767 4.376 20 0 DIADHM COc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1 ZINC000485359307 1049227812 /nfs/dbraw/zinc/22/78/12/1049227812.db2.gz OYOTZGOCWPGZEY-UHFFFAOYSA-N -1 3 321.163 4.318 20 0 DIADHM Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)cc1F ZINC000485375168 1049232658 /nfs/dbraw/zinc/23/26/58/1049232658.db2.gz RSGHNPXLVITXSD-UHFFFAOYSA-N -1 3 323.154 4.344 20 0 DIADHM O=C([O-])c1coc(CN2CCC(CC3CCCCC3)CC2)c1 ZINC000905771775 1049252623 /nfs/dbraw/zinc/25/26/23/1049252623.db2.gz AIJAZBXVYNZLSO-UHFFFAOYSA-N -1 3 305.418 4.160 20 0 DIADHM O=c1nc(Cl)cc(SC2CCC(C(F)(F)F)CC2)[n-]1 ZINC000858562378 1049273984 /nfs/dbraw/zinc/27/39/84/1049273984.db2.gz CKRNGPJDNMNXQU-UHFFFAOYSA-N -1 3 312.744 4.049 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1scnc1C1CCCC1 ZINC000906275026 1049315796 /nfs/dbraw/zinc/31/57/96/1049315796.db2.gz HIWQNVGQSWOCGK-UHFFFAOYSA-N -1 3 319.430 4.473 20 0 DIADHM [O-]c1ccc(-c2nccc(-c3ccco3)n2)c(C(F)(F)F)c1 ZINC001205072930 1049363191 /nfs/dbraw/zinc/36/31/91/1049363191.db2.gz BYIPIGDFGBNTKA-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM CCCc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194643218 1049403789 /nfs/dbraw/zinc/40/37/89/1049403789.db2.gz JMPLRYDKLFKPER-UHFFFAOYSA-N -1 3 303.427 4.057 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1C ZINC000907437159 1049410014 /nfs/dbraw/zinc/41/00/14/1049410014.db2.gz WBYREKMOJQFZIM-GFCCVEGCSA-N -1 3 323.392 4.057 20 0 DIADHM CC(C)N(C(=O)c1ccc(Cl)[n-]c1=O)[C@@H](C)c1ccccc1 ZINC001195134553 1049482414 /nfs/dbraw/zinc/48/24/14/1049482414.db2.gz RHJKQKITLULHQQ-LBPRGKRZSA-N -1 3 318.804 4.052 20 0 DIADHM COCOc1cc(C)ccc1Nc1ccc(C)c([O-])c1Cl ZINC001205515658 1049489799 /nfs/dbraw/zinc/48/97/99/1049489799.db2.gz RYPFDQUUXPRXBG-UHFFFAOYSA-N -1 3 307.777 4.389 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Oc1ccccc1C(F)(F)F ZINC001195196505 1049493949 /nfs/dbraw/zinc/49/39/49/1049493949.db2.gz HJAJRAFFGJUHJW-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM CCc1cccc(C(=O)N2CCc3cc(C(C)C)ccc3C2)c1[O-] ZINC001181643806 1049495475 /nfs/dbraw/zinc/49/54/75/1049495475.db2.gz WOYDSINIZGICQG-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCCC(C)(C)C)c1 ZINC001181765091 1049516960 /nfs/dbraw/zinc/51/69/60/1049516960.db2.gz VIENDGKYQHQXEC-UHFFFAOYSA-N -1 3 316.367 4.022 20 0 DIADHM CCOc1c(F)c(F)ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001205823733 1049575125 /nfs/dbraw/zinc/57/51/25/1049575125.db2.gz HPOPSLUKLJUOGK-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM Oc1ccc2cc(-c3cc(C(F)(F)F)[n-]c(=S)n3)ccc2c1 ZINC001205730851 1049583207 /nfs/dbraw/zinc/58/32/07/1049583207.db2.gz KLRGMQYIUYSOMU-UHFFFAOYSA-N -1 3 322.311 4.310 20 0 DIADHM [O-]c1ccc(-c2nc(C(F)(F)F)nc3ccccc32)c(F)c1 ZINC001206022223 1049632726 /nfs/dbraw/zinc/63/27/26/1049632726.db2.gz WJMNZMLUBHCLDO-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM COc1ccccc1NC(=S)Nc1ccc(C)c([O-])c1Cl ZINC001196255998 1049633816 /nfs/dbraw/zinc/63/38/16/1049633816.db2.gz FTSJEJUMTGHEHU-UHFFFAOYSA-N -1 3 322.817 4.172 20 0 DIADHM Cc1nc2sc3c(c2c(-c2ccc([O-])cc2F)n1)CCCC3 ZINC001206037702 1049636297 /nfs/dbraw/zinc/63/62/97/1049636297.db2.gz LQLINEITSLJWRE-UHFFFAOYSA-N -1 3 314.385 4.390 20 0 DIADHM Cc1ccc(Oc2nc(-c3ccc([O-])cc3F)ncc2F)cc1 ZINC001206044468 1049639331 /nfs/dbraw/zinc/63/93/31/1049639331.db2.gz MZQHBIIOAGVYBC-UHFFFAOYSA-N -1 3 314.291 4.228 20 0 DIADHM COC(=O)c1ccc(-c2ccc([O-])cc2F)c(C(F)(F)F)c1 ZINC001206050902 1049641324 /nfs/dbraw/zinc/64/13/24/1049641324.db2.gz BDIZIGBKVUXXOE-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM Cc1oc2ccccc2c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864518024 1049661957 /nfs/dbraw/zinc/66/19/57/1049661957.db2.gz AALDRAWRTWPIOY-UHFFFAOYSA-N -1 3 323.392 4.048 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)c(F)cc1Cl ZINC000570248194 1049695301 /nfs/dbraw/zinc/69/53/01/1049695301.db2.gz QWYBTGNKFQEHDH-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2cccc(Cl)c2F)n1 ZINC000774543076 1049703893 /nfs/dbraw/zinc/70/38/93/1049703893.db2.gz ZGRNSUBLSPRSKL-VIFPVBQESA-N -1 3 312.797 4.278 20 0 DIADHM CCN(CC)Cc1cccc(-c2csc(C(=O)[O-])c2)c1F ZINC001206303672 1049706387 /nfs/dbraw/zinc/70/63/87/1049706387.db2.gz PRFODCHISOVPNY-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CC(=O)c1cc(Br)ccc1Nc1cc([O-])cc(F)c1 ZINC001206822379 1049805542 /nfs/dbraw/zinc/80/55/42/1049805542.db2.gz KMFGXHPZZJFBTA-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2sccc2Cl)c1F ZINC000571477708 1049934162 /nfs/dbraw/zinc/93/41/62/1049934162.db2.gz CMNBAAYDXPUNPX-UHFFFAOYSA-N -1 3 317.744 4.331 20 0 DIADHM CC(C)c1ccoc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000571943925 1049978375 /nfs/dbraw/zinc/97/83/75/1049978375.db2.gz JZNKXRRXZLZNKK-UHFFFAOYSA-N -1 3 324.174 4.123 20 0 DIADHM CC[C@@H]1c2ccsc2CCN1Cc1ccsc1C(=O)[O-] ZINC000572127820 1049995277 /nfs/dbraw/zinc/99/52/77/1049995277.db2.gz VMUDGQMHAQVCMC-GFCCVEGCSA-N -1 3 307.440 4.017 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cccc(OCC(F)(F)F)c1 ZINC001212164170 1050093984 /nfs/dbraw/zinc/09/39/84/1050093984.db2.gz BGKXRPYHCZKNSR-UHFFFAOYSA-N -1 3 318.682 4.125 20 0 DIADHM COc1ccc([N-]c2nnc(-c3ccco3)o2)c2ccccc12 ZINC001209924815 1050107071 /nfs/dbraw/zinc/10/70/71/1050107071.db2.gz ZHRKYDDECKPJQG-UHFFFAOYSA-N -1 3 307.309 4.235 20 0 DIADHM [O-]c1ccc(Nc2ccc(O)c(C(F)(F)F)c2)c(F)c1F ZINC001209985483 1050116722 /nfs/dbraw/zinc/11/67/22/1050116722.db2.gz FOMAQOQZFYULFB-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Br)ccc1N(C)C ZINC001210045794 1050128320 /nfs/dbraw/zinc/12/83/20/1050128320.db2.gz YCIWPDULFLVRMH-UHFFFAOYSA-N -1 3 321.218 4.273 20 0 DIADHM Cc1cc(Nc2cccc(Cl)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001210215494 1050161129 /nfs/dbraw/zinc/16/11/29/1050161129.db2.gz HEMAGRUVKUOURD-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM Cc1ncc(Br)cc1Nc1cccc(Cl)c1[O-] ZINC001210216237 1050161415 /nfs/dbraw/zinc/16/14/15/1050161415.db2.gz RPSFXJJZBXLFMV-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COC(=O)c1cc(Nc2cccc(Cl)c2[O-])c(Cl)s1 ZINC001210216299 1050161439 /nfs/dbraw/zinc/16/14/39/1050161439.db2.gz SOIOSSAEXDQJDV-UHFFFAOYSA-N -1 3 318.181 4.291 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(Br)ccc1O ZINC001210220359 1050162878 /nfs/dbraw/zinc/16/28/78/1050162878.db2.gz SQNPIBYIMCBKOO-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Cc1cc(Nc2cccc(Cl)c2[O-])n(-c2ccccc2F)n1 ZINC001210219902 1050163068 /nfs/dbraw/zinc/16/30/68/1050163068.db2.gz SMGBFLXBGMJBSM-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM Cc1cnn(-c2ccccc2F)c1Nc1cccc(Cl)c1[O-] ZINC001210221231 1050163707 /nfs/dbraw/zinc/16/37/07/1050163707.db2.gz YXAYSUZMMPXNJC-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(=O)Nc1ccc(Nc2cccc(Cl)c2[O-])cc1Cl ZINC001210222223 1050164047 /nfs/dbraw/zinc/16/40/47/1050164047.db2.gz VHNVQTHBWPGPQT-UHFFFAOYSA-N -1 3 311.168 4.401 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(O)ccc1Br ZINC001210220221 1050164065 /nfs/dbraw/zinc/16/40/65/1050164065.db2.gz PHWWRTPBBWPQCS-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM COC(=O)CCCc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223406 1050165449 /nfs/dbraw/zinc/16/54/49/1050165449.db2.gz TZHJWPTVHLFKFK-UHFFFAOYSA-N -1 3 319.788 4.285 20 0 DIADHM COCCCNc1cccc(F)c1Nc1cccc(Cl)c1[O-] ZINC001210223796 1050165640 /nfs/dbraw/zinc/16/56/40/1050165640.db2.gz VONQQVXFQWVPIM-UHFFFAOYSA-N -1 3 324.783 4.377 20 0 DIADHM CC1(C)NC(=O)Nc2ccc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210222745 1050165817 /nfs/dbraw/zinc/16/58/17/1050165817.db2.gz CLFBDYMSVPXELB-UHFFFAOYSA-N -1 3 317.776 4.159 20 0 DIADHM CN1c2cc(Nc3cccc(Cl)c3[O-])ccc2C(C)(C)C1=O ZINC001210223456 1050165974 /nfs/dbraw/zinc/16/59/74/1050165974.db2.gz PLCIUAZRLLCAHO-UHFFFAOYSA-N -1 3 316.788 4.043 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2CC)c1 ZINC001136802492 1050169512 /nfs/dbraw/zinc/16/95/12/1050169512.db2.gz XITGHKYZEPGKOE-SFHVURJKSA-N -1 3 309.409 4.104 20 0 DIADHM Cn1ccnc1-c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001210430227 1050241786 /nfs/dbraw/zinc/24/17/86/1050241786.db2.gz GWVRTZWKFMNTHV-UHFFFAOYSA-N -1 3 322.393 4.146 20 0 DIADHM CC[C@]1(C)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000573734702 1050248074 /nfs/dbraw/zinc/24/80/74/1050248074.db2.gz YZYPIEXYJKKFRW-DZGCQCFKSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc[nH]1 ZINC000760962136 1050286890 /nfs/dbraw/zinc/28/68/90/1050286890.db2.gz UGMIAFGBZSPIDN-CYBMUJFWSA-N -1 3 322.364 4.004 20 0 DIADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(N)cc2[O-])cc1 ZINC000844204236 1050376455 /nfs/dbraw/zinc/37/64/55/1050376455.db2.gz PQYQZZBCXLRROV-SFHVURJKSA-N -1 3 324.424 4.075 20 0 DIADHM O=C(OCc1csc(C2CCCCC2)n1)c1ccc([O-])cc1 ZINC000058651181 1050377610 /nfs/dbraw/zinc/37/76/10/1050377610.db2.gz UTWZZYHVVFBKEE-UHFFFAOYSA-N -1 3 317.410 4.253 20 0 DIADHM [O-]c1cccc(Nc2cccnc2N2CCCCC2)c1Cl ZINC001210844420 1050390016 /nfs/dbraw/zinc/39/00/16/1050390016.db2.gz GIRHTRXKRQISJA-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM Cc1nc(Br)ccc1Nc1cccc([O-])c1Cl ZINC001210851713 1050391449 /nfs/dbraw/zinc/39/14/49/1050391449.db2.gz HCYQUVIIIHKUMA-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc(Nc2nc(F)ccc2Br)c1Cl ZINC001210853713 1050391550 /nfs/dbraw/zinc/39/15/50/1050391550.db2.gz FUVXPJXURYNBMI-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cc(=O)[nH]c2cc(Nc3cccc([O-])c3Cl)ccc12 ZINC001210854985 1050392158 /nfs/dbraw/zinc/39/21/58/1050392158.db2.gz OGZHPMRKTYSRBH-UHFFFAOYSA-N -1 3 300.745 4.351 20 0 DIADHM CC(C)(C)c1cc2ncc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855200 1050392673 /nfs/dbraw/zinc/39/26/73/1050392673.db2.gz KKATUDNAOOVGDF-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM Cc1c(Br)nccc1Nc1cccc([O-])c1Cl ZINC001210854044 1050393108 /nfs/dbraw/zinc/39/31/08/1050393108.db2.gz WRJVIDWNGROOQI-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COC(=O)[C@@H](C)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210859147 1050393631 /nfs/dbraw/zinc/39/36/31/1050393631.db2.gz CNDOBTJQBMGJPC-JTQLQIEISA-N -1 3 305.761 4.066 20 0 DIADHM COc1cc2cccnc2c(Nc2cccc([O-])c2Cl)c1 ZINC001210854148 1050393655 /nfs/dbraw/zinc/39/36/55/1050393655.db2.gz 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/nfs/dbraw/zinc/50/30/91/1050503091.db2.gz WSXNCUDEAWONPZ-KRWDZBQOSA-N -1 3 317.816 4.344 20 0 DIADHM Cc1nc2ccccc2c(C(=O)Nc2ccc3c(c2)N=NC3)c1[O-] ZINC001149197855 1050510587 /nfs/dbraw/zinc/51/05/87/1050510587.db2.gz OXCRTNLILISYNR-UHFFFAOYSA-N -1 3 318.336 4.098 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000786752322 1050513413 /nfs/dbraw/zinc/51/34/13/1050513413.db2.gz FJXROWJDWSOSFY-UHFFFAOYSA-N -1 3 315.388 4.216 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cnccc1Cl ZINC001211214115 1050520632 /nfs/dbraw/zinc/52/06/32/1050520632.db2.gz YWFFDKPDJRRIJA-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1cc(Nc2ccc([O-])c(F)c2F)cc(C(F)(F)F)c1 ZINC001211335935 1050550901 /nfs/dbraw/zinc/55/09/01/1050550901.db2.gz VIKOVTVUPBLUDE-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CSc1ccc([O-])c(C(=O)NC(CC(C)C)CC(C)C)c1 ZINC001144529966 1050608215 /nfs/dbraw/zinc/60/82/15/1050608215.db2.gz OCZKWVXZANWEGZ-UHFFFAOYSA-N -1 3 309.475 4.305 20 0 DIADHM [O-]c1cc(F)c(CN2CCC(c3ccccc3)CC2)c(F)c1 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Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C(F)(F)F ZINC001216052033 1051550467 /nfs/dbraw/zinc/55/04/67/1051550467.db2.gz GIHIPQXJDNSPQM-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1C(F)(F)F ZINC001216053841 1051551144 /nfs/dbraw/zinc/55/11/44/1051551144.db2.gz KNPHDDHACZNIBF-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)ncc1Br ZINC001212586828 1051561748 /nfs/dbraw/zinc/56/17/48/1051561748.db2.gz BJBPZBGGYQSPNK-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1cc(Cl)c(N)c(Nc2nc3c(cccc3[O-])s2)c1 ZINC001216089272 1051574619 /nfs/dbraw/zinc/57/46/19/1051574619.db2.gz QCUSBFHYYDRMSC-UHFFFAOYSA-N -1 3 305.790 4.290 20 0 DIADHM [O-]c1cc(Nc2ncc(Br)cc2F)ccc1Cl ZINC001212589397 1051585333 /nfs/dbraw/zinc/58/53/33/1051585333.db2.gz JOGWTKGWUWCMNP-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COC(=O)c1cc(Nc2ccc(Cl)c([O-])c2)c(Cl)s1 ZINC001212589495 1051586137 /nfs/dbraw/zinc/58/61/37/1051586137.db2.gz OLLVQTRKBYYPGI-UHFFFAOYSA-N -1 3 318.181 4.291 20 0 DIADHM COC(=O)c1cc(Cl)sc1Nc1ccc(Cl)c([O-])c1 ZINC001212590256 1051616946 /nfs/dbraw/zinc/61/69/46/1051616946.db2.gz CTCVEHOLQYDBTE-UHFFFAOYSA-N -1 3 318.181 4.291 20 0 DIADHM CCN(CC)c1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001216183800 1051619299 /nfs/dbraw/zinc/61/92/99/1051619299.db2.gz YVVHYAHRRYZAJX-UHFFFAOYSA-N -1 3 310.319 4.399 20 0 DIADHM CNc1cc(F)cc(Nc2cccc([O-])c2Br)c1 ZINC001216190271 1051622805 /nfs/dbraw/zinc/62/28/05/1051622805.db2.gz UXAXLDVAZWZUGB-UHFFFAOYSA-N -1 3 311.154 4.079 20 0 DIADHM COc1cc(Nc2cc([O-])c(F)cc2F)ccc1OC(C)C ZINC001216249604 1051657165 /nfs/dbraw/zinc/65/71/65/1051657165.db2.gz NTMIHZJJFGYALH-UHFFFAOYSA-N -1 3 309.312 4.210 20 0 DIADHM COc1cc2cccnc2c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212592310 1051659999 /nfs/dbraw/zinc/65/99/99/1051659999.db2.gz JILRYAFPWSXCBL-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM Cc1cc(=O)[nH]c2cc(Nc3ccc(Cl)c([O-])c3)ccc12 ZINC001212593398 1051664614 /nfs/dbraw/zinc/66/46/14/1051664614.db2.gz OYHHWQPHROQFRQ-UHFFFAOYSA-N -1 3 300.745 4.351 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3cccc4c3CCCC4)no2)c(O)c1 ZINC001216271326 1051666292 /nfs/dbraw/zinc/66/62/92/1051666292.db2.gz BUUVCKHPMUJNPC-UHFFFAOYSA-N -1 3 322.364 4.002 20 0 DIADHM CCOC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1C ZINC001212593590 1051671666 /nfs/dbraw/zinc/67/16/66/1051671666.db2.gz ZAXWZUYGCIHCHR-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM COc1ccc(Nc2ccc(Cl)c([O-])c2)c2ncccc12 ZINC001212593577 1051671627 /nfs/dbraw/zinc/67/16/27/1051671627.db2.gz YLNSCXLBFIGNGF-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212593958 1051681821 /nfs/dbraw/zinc/68/18/21/1051681821.db2.gz NRWHCNYMROLBEA-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM CC(C)c1cc(Br)cc(NCc2ncccc2[O-])c1 ZINC001169732648 1051690241 /nfs/dbraw/zinc/69/02/41/1051690241.db2.gz NVBPNGYDOZGUHW-UHFFFAOYSA-N -1 3 321.218 4.285 20 0 DIADHM COc1cc(NCc2ncccc2[O-])ccc1Oc1ccccc1 ZINC001169737879 1051690795 /nfs/dbraw/zinc/69/07/95/1051690795.db2.gz WRBKUAXFDZOECW-UHFFFAOYSA-N -1 3 322.364 4.200 20 0 DIADHM Cc1c(CO)ccc(Nc2nc3c(cccc3[O-])s2)c1Cl ZINC001216325966 1051701654 /nfs/dbraw/zinc/70/16/54/1051701654.db2.gz SWEDTNCYJMEVQP-UHFFFAOYSA-N -1 3 320.801 4.200 20 0 DIADHM COC(=O)c1cc(F)c(C)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595459 1051702301 /nfs/dbraw/zinc/70/23/01/1051702301.db2.gz VFYRRGCRQYIWDR-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM COC(=O)[C@@H](C)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212594970 1051703832 /nfs/dbraw/zinc/70/38/32/1051703832.db2.gz FPLRVTULUCNISM-JTQLQIEISA-N -1 3 305.761 4.066 20 0 DIADHM [O-]c1ccc(Nc2c(Cl)cc(CO)cc2Cl)c(F)c1F ZINC001216363165 1051719898 /nfs/dbraw/zinc/71/98/98/1051719898.db2.gz GRDPFQVTHCADTK-UHFFFAOYSA-N -1 3 320.122 4.213 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cccnc1C1CC1 ZINC001212740667 1051746151 /nfs/dbraw/zinc/74/61/51/1051746151.db2.gz MABAUGXXKXJPEA-UHFFFAOYSA-N -1 3 323.165 4.310 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1nc(C(C)(C)C)cs1 ZINC000185524368 1051771017 /nfs/dbraw/zinc/77/10/17/1051771017.db2.gz ZAOGELVWJRMIPC-JTQLQIEISA-N -1 3 308.422 4.136 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001216536123 1051808936 /nfs/dbraw/zinc/80/89/36/1051808936.db2.gz CXGLVUQEEZALJY-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CCCOc1ccc(-c2noc(-c3c(C)cccc3[O-])n2)cc1 ZINC001216536293 1051808949 /nfs/dbraw/zinc/80/89/49/1051808949.db2.gz HFLXWUKQUROTJS-UHFFFAOYSA-N -1 3 310.353 4.206 20 0 DIADHM COc1cc(-c2noc(-c3c(C)cccc3[O-])n2)ccc1Cl ZINC001216536149 1051809011 /nfs/dbraw/zinc/80/90/11/1051809011.db2.gz FGAZPKJJSWAPFP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001216536925 1051811354 /nfs/dbraw/zinc/81/13/54/1051811354.db2.gz TZQCJDYGMRJJIQ-UHFFFAOYSA-N -1 3 321.380 4.018 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001216537235 1051811755 /nfs/dbraw/zinc/81/17/55/1051811755.db2.gz WTUUBZJIPPRPTB-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CCOc1ccccc1Nc1cccc([O-])c1Br ZINC001173849966 1051823752 /nfs/dbraw/zinc/82/37/52/1051823752.db2.gz BYDXKZKHYBJQGM-UHFFFAOYSA-N -1 3 308.175 4.297 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000220314444 1051829155 /nfs/dbraw/zinc/82/91/55/1051829155.db2.gz KFQUXOIWQIQFTC-OAHLLOKOSA-N -1 3 301.773 4.023 20 0 DIADHM [O-]c1c(F)cc(Br)cc1NC=Cc1ccccc1 ZINC001173872927 1051842555 /nfs/dbraw/zinc/84/25/55/1051842555.db2.gz CVNXWGXESJWCIC-VOTSOKGWSA-N -1 3 308.150 4.377 20 0 DIADHM Cc1cc(F)c(-c2noc(-c3cc([O-])cc(Cl)c3)n2)cc1F ZINC001216702142 1051865556 /nfs/dbraw/zinc/86/55/56/1051865556.db2.gz KFJHGZXPELWSCX-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccc4cnccc43)no2)c1 ZINC001216702429 1051865728 /nfs/dbraw/zinc/86/57/28/1051865728.db2.gz SJMRJJWLAHQTJL-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1c(F)ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1F ZINC001216701772 1051866734 /nfs/dbraw/zinc/86/67/34/1051866734.db2.gz AJIBJMLYQGAHEQ-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cc(F)c(F)cc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216701990 1051866792 /nfs/dbraw/zinc/86/67/92/1051866792.db2.gz GETOFXCZVVTVFX-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM COc1cc(Nc2ccc(C)c([O-])c2Cl)cc(OC)c1OC ZINC001173905651 1051868379 /nfs/dbraw/zinc/86/83/79/1051868379.db2.gz LOVPEADWNXUCQD-UHFFFAOYSA-N -1 3 323.776 4.123 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cc(Cl)ccc3F)no2)cc1F ZINC001216896370 1051904289 /nfs/dbraw/zinc/90/42/89/1051904289.db2.gz ZLAVCCXVMKYAFD-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccc(C)cc3C)no2)c1[O-] ZINC001216957129 1051917511 /nfs/dbraw/zinc/91/75/11/1051917511.db2.gz VANWHGGCFZRPOK-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM Cc1cccc(-c2noc(-c3cc([O-])ccc3Cl)n2)c1C ZINC000405098058 1051930988 /nfs/dbraw/zinc/93/09/88/1051930988.db2.gz YOFYIFNNFIOSEM-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cn1ccc2cc(Nc3cccc([O-])c3Br)ccc21 ZINC001174098836 1051972099 /nfs/dbraw/zinc/97/20/99/1051972099.db2.gz KIMKFMIFNQGSJF-UHFFFAOYSA-N -1 3 317.186 4.390 20 0 DIADHM CC(C)Oc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001174112465 1051986838 /nfs/dbraw/zinc/98/68/38/1051986838.db2.gz HAQBTCYOSIRNNY-UHFFFAOYSA-N -1 3 309.369 4.109 20 0 DIADHM CCCCNC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174123151 1052001959 /nfs/dbraw/zinc/00/19/59/1052001959.db2.gz DRYCLVSIEMDKFD-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM CC(C)(C)NC(=O)c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174126583 1052006089 /nfs/dbraw/zinc/00/60/89/1052006089.db2.gz PAQQGBSBKIJEGX-UHFFFAOYSA-N -1 3 318.804 4.318 20 0 DIADHM Fc1ccc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)cc1 ZINC001217257112 1052008680 /nfs/dbraw/zinc/00/86/80/1052008680.db2.gz MLKGTYNNFHTIFS-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Fc1ccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)cc1 ZINC001217257112 1052008690 /nfs/dbraw/zinc/00/86/90/1052008690.db2.gz MLKGTYNNFHTIFS-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM [O-]c1cccc(Nc2cccc3cnccc32)c1Br ZINC001174138143 1052014122 /nfs/dbraw/zinc/01/41/22/1052014122.db2.gz NSHRANVYXQEWGK-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2cccc3ccoc32)no1 ZINC001217322641 1052024037 /nfs/dbraw/zinc/02/40/37/1052024037.db2.gz FDSGYLUOHPYHSA-UHFFFAOYSA-N -1 3 320.283 4.165 20 0 DIADHM Cc1ccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c(C)c1 ZINC001217322752 1052024309 /nfs/dbraw/zinc/02/43/09/1052024309.db2.gz JGXOHQDGIKTDLD-UHFFFAOYSA-N -1 3 308.316 4.036 20 0 DIADHM CC(C)CNC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174194928 1052043370 /nfs/dbraw/zinc/04/33/70/1052043370.db2.gz PYTQHLXIFHHJRZ-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM Cc1nc(-c2noc(-c3c([O-])ccc4ccccc43)n2)ccc1F ZINC001217412111 1052047377 /nfs/dbraw/zinc/04/73/77/1052047377.db2.gz KJTSLDSQSABKCH-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM COc1ccccc1-c1noc(-c2c([O-])ccc3ccccc32)n1 ZINC001217412331 1052047647 /nfs/dbraw/zinc/04/76/47/1052047647.db2.gz WYAQUYCUNBIGCH-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCc1cccnc1-c1noc(-c2ccc([O-])c3ccccc23)n1 ZINC001217436736 1052055121 /nfs/dbraw/zinc/05/51/21/1052055121.db2.gz QSEGDIQRMRRJGC-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccc3F)no2)c2ccccc12 ZINC001217435840 1052055296 /nfs/dbraw/zinc/05/52/96/1052055296.db2.gz JODZJNZZCNJRES-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1cccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1C ZINC001217442298 1052056714 /nfs/dbraw/zinc/05/67/14/1052056714.db2.gz VKHGIDRYWXLIMT-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM CC(C)(C)c1nc([N-]c2ccc(C(=O)c3ccccc3)cc2)no1 ZINC001174222892 1052059169 /nfs/dbraw/zinc/05/91/69/1052059169.db2.gz NDHOZGDRPLDJLK-UHFFFAOYSA-N -1 3 321.380 4.342 20 0 DIADHM [O-]c1ccc(Nc2cccc(N3CCCCC3)c2)c(F)c1F ZINC001174302102 1052078853 /nfs/dbraw/zinc/07/88/53/1052078853.db2.gz DBDIGFRGVSSYMT-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM O=C(CCC1CCCCC1)[N-]OCc1ccc2ncccc2c1 ZINC000769831193 1052116273 /nfs/dbraw/zinc/11/62/73/1052116273.db2.gz WMIXVCFVHQHMFB-UHFFFAOYSA-N -1 3 312.413 4.143 20 0 DIADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCCc2ccccc21 ZINC000303152752 1052315752 /nfs/dbraw/zinc/31/57/52/1052315752.db2.gz RSJFJOQEDCNZTM-SFHVURJKSA-N -1 3 315.800 4.278 20 0 DIADHM C[C@H](c1ccccc1F)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235165920 1052408770 /nfs/dbraw/zinc/40/87/70/1052408770.db2.gz QBIHEZKKQOHTLD-SNVBAGLBSA-N -1 3 307.752 4.018 20 0 DIADHM CCOc1ccccc1-c1noc(-c2cc([O-])ccc2Cl)n1 ZINC000319408676 1052424904 /nfs/dbraw/zinc/42/49/04/1052424904.db2.gz GFOSDAFPVGFORB-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM C/C(=C\C(=O)Nc1cc(Br)ccc1[O-])C(C)(C)C ZINC000762819695 1052425213 /nfs/dbraw/zinc/42/52/13/1052425213.db2.gz UDDQCVXCDDCWNL-VQHVLOKHSA-N -1 3 312.207 4.086 20 0 DIADHM CCN(CC)Cc1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001222083082 1052439393 /nfs/dbraw/zinc/43/93/93/1052439393.db2.gz MOWOFPXZCVQHDE-UHFFFAOYSA-N -1 3 309.331 4.318 20 0 DIADHM Cc1ccc2c(CC(=O)Nc3ccc(Cl)cc3[O-])c[nH]c2c1 ZINC000153673744 1052465485 /nfs/dbraw/zinc/46/54/85/1052465485.db2.gz XBTFPBMOFYSVQS-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1cc(=O)[n-]c(CSCc2csc(C3CCCC3)n2)n1 ZINC000763217081 1052548762 /nfs/dbraw/zinc/54/87/62/1052548762.db2.gz RBBGBXKYNYLSKX-UHFFFAOYSA-N -1 3 321.471 4.038 20 0 DIADHM COc1ccc([C@H](C)NCc2cccc([O-])c2Cl)cc1F ZINC000328215646 1052595453 /nfs/dbraw/zinc/59/54/53/1052595453.db2.gz JWVNJDWHWRKHHZ-JTQLQIEISA-N -1 3 309.768 4.044 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000123818631 1052634080 /nfs/dbraw/zinc/63/40/80/1052634080.db2.gz AMIILXKUUMYGAM-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000350361331 1052655079 /nfs/dbraw/zinc/65/50/79/1052655079.db2.gz CJQFRAOHVGDZBA-ZDUSSCGKSA-N -1 3 321.376 4.084 20 0 DIADHM Cc1c(C(=O)Nc2cccc([O-])c2F)sc2cccc(F)c12 ZINC000128280601 1052714097 /nfs/dbraw/zinc/71/40/97/1052714097.db2.gz AWEWIDBMYVCFNF-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1 ZINC000917941948 1052764863 /nfs/dbraw/zinc/76/48/63/1052764863.db2.gz HIZVGGDPNJRZHM-JTQLQIEISA-N -1 3 316.744 4.241 20 0 DIADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000917941948 1052764870 /nfs/dbraw/zinc/76/48/70/1052764870.db2.gz HIZVGGDPNJRZHM-JTQLQIEISA-N -1 3 316.744 4.241 20 0 DIADHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1csc(Cl)c1 ZINC001225578601 1052804768 /nfs/dbraw/zinc/80/47/68/1052804768.db2.gz FZVIKWYCPLFDKL-YFKPBYRVSA-N -1 3 324.711 4.056 20 0 DIADHM Cc1cccc(C2(C(=O)Nc3cccc([O-])c3F)CCCC2)c1 ZINC000129731984 1052809432 /nfs/dbraw/zinc/80/94/32/1052809432.db2.gz ODUQXYMKTUUKQD-UHFFFAOYSA-N -1 3 313.372 4.290 20 0 DIADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC000129766269 1052810864 /nfs/dbraw/zinc/81/08/64/1052810864.db2.gz IZXVMMDWHUFLFF-UHFFFAOYSA-N -1 3 323.751 4.226 20 0 DIADHM C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccc(F)cc1 ZINC001225854601 1052838657 /nfs/dbraw/zinc/83/86/57/1052838657.db2.gz WSOONUVBIVPVFZ-SSDOTTSWSA-N -1 3 318.295 4.063 20 0 DIADHM Cc1ccc([C@H](C)Oc2cc(C(F)(F)F)nc(=S)[n-]2)cc1 ZINC001225852342 1052839083 /nfs/dbraw/zinc/83/90/83/1052839083.db2.gz GKELETAHEAPQPS-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccc(F)cc1 ZINC001225854602 1052839297 /nfs/dbraw/zinc/83/92/97/1052839297.db2.gz WSOONUVBIVPVFZ-ZETCQYMHSA-N -1 3 318.295 4.063 20 0 DIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1cc(F)ccc1F ZINC000918940014 1052843260 /nfs/dbraw/zinc/84/32/60/1052843260.db2.gz VATNUKWTGWNZDD-QMMMGPOBSA-N -1 3 307.321 4.426 20 0 DIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1c(F)cccc1F ZINC000918939660 1052843557 /nfs/dbraw/zinc/84/35/57/1052843557.db2.gz IUWWVFRKFJQWTP-MRVPVSSYSA-N -1 3 307.321 4.426 20 0 DIADHM CCCC[C@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225936368 1052849976 /nfs/dbraw/zinc/84/99/76/1052849976.db2.gz ZNOWILZMAAELKC-HNNXBMFYSA-N -1 3 318.442 4.222 20 0 DIADHM COc1ccc([C@@H](Oc2cc(C(C)=O)ccc2[O-])C(C)C)cc1 ZINC001225995420 1052856801 /nfs/dbraw/zinc/85/68/01/1052856801.db2.gz RATAEJXJTRTFTO-IBGZPJMESA-N -1 3 314.381 4.380 20 0 DIADHM CCOc1ccc([C@H](C)Oc2cc(C(C)=O)ccc2[O-])cc1 ZINC001225995311 1052857026 /nfs/dbraw/zinc/85/70/26/1052857026.db2.gz PXAUSLOWNUDGAN-ZDUSSCGKSA-N -1 3 300.354 4.134 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001225997589 1052857274 /nfs/dbraw/zinc/85/72/74/1052857274.db2.gz FBRVLBWMTBIRHI-HNNXBMFYSA-N -1 3 310.271 4.277 20 0 DIADHM CC(C)[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1 ZINC001226120758 1052870733 /nfs/dbraw/zinc/87/07/33/1052870733.db2.gz TWANZMSTVQMZBJ-HNNXBMFYSA-N -1 3 300.427 4.419 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c(-c4ccc(C)o4)nc(=O)c23)C1 ZINC000514541360 1052879084 /nfs/dbraw/zinc/87/90/84/1052879084.db2.gz MSXMZIQJXQOWBY-SNVBAGLBSA-N -1 3 314.410 4.480 20 0 DIADHM CCCCC[C@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238470 1052879853 /nfs/dbraw/zinc/87/98/53/1052879853.db2.gz SNRKIVGTJRJFOS-INIZCTEOSA-N -1 3 314.385 4.085 20 0 DIADHM CCC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)C1CCCCC1 ZINC001226483261 1052901259 /nfs/dbraw/zinc/90/12/59/1052901259.db2.gz TTXQTBQELYUOQI-MRXNPFEDSA-N -1 3 306.402 4.428 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC001226482270 1052901304 /nfs/dbraw/zinc/90/13/04/1052901304.db2.gz LKXQKPWCCIFBLD-MGPQQGTHSA-N -1 3 304.386 4.038 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2ccc(C)cc2C)c1O ZINC001226482177 1052901382 /nfs/dbraw/zinc/90/13/82/1052901382.db2.gz KHMMVLMFKMZGFB-ZDUSSCGKSA-N -1 3 300.354 4.057 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3CCC=CCCC3)cc12 ZINC001226531909 1052907644 /nfs/dbraw/zinc/90/76/44/1052907644.db2.gz JMVVHUWHPXDPHT-ZDUSSCGKSA-N -1 3 300.354 4.075 20 0 DIADHM CCC1CCC(Oc2cc3c(C)cc(=O)oc3cc2[O-])CC1 ZINC001226532064 1052907664 /nfs/dbraw/zinc/90/76/64/1052907664.db2.gz NDNJFHVZKJDLKF-UHFFFAOYSA-N -1 3 302.370 4.155 20 0 DIADHM CC/C=C(\C)[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531954 1052907876 /nfs/dbraw/zinc/90/78/76/1052907876.db2.gz KNBZQTYKXKQOSY-USYSOWRXSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3ccc(F)cc3)cc12 ZINC001226533117 1052908453 /nfs/dbraw/zinc/90/84/53/1052908453.db2.gz ZJHIJRGWMVOHHQ-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533157 1052908596 /nfs/dbraw/zinc/90/85/96/1052908596.db2.gz BBODORMSBBSHLA-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC[C@H](C)[C@H]3C)cc12 ZINC001226532893 1052908623 /nfs/dbraw/zinc/90/86/23/1052908623.db2.gz WSMFQRPUYPZDIQ-JVLSTEMRSA-N -1 3 302.370 4.011 20 0 DIADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccc(Cl)cc1 ZINC001226597863 1052914450 /nfs/dbraw/zinc/91/44/50/1052914450.db2.gz WTZGUOLZKGBIKD-JTQLQIEISA-N -1 3 316.740 4.292 20 0 DIADHM CC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCCCC1 ZINC001226600227 1052914916 /nfs/dbraw/zinc/91/49/16/1052914916.db2.gz VPAHEBWVCXHAGN-OAHLLOKOSA-N -1 3 302.370 4.236 20 0 DIADHM COc1ccc(OC(C)C)c(COc2cccc([O-])c2Cl)c1 ZINC001226710254 1052923795 /nfs/dbraw/zinc/92/37/95/1052923795.db2.gz WUWKOFRGXYCDBC-UHFFFAOYSA-N -1 3 322.788 4.420 20 0 DIADHM CCC[C@H](Oc1cc(C)nc(=S)[n-]1)c1ccc(OC)cc1 ZINC001226803079 1052932331 /nfs/dbraw/zinc/93/23/31/1052932331.db2.gz NXPSTIOYVBBMDI-AWEZNQCLSA-N -1 3 304.415 4.003 20 0 DIADHM O=c1ccc(O[C@@H](c2ccccc2)c2ccc(Cl)cc2)n[n-]1 ZINC001227096168 1052960881 /nfs/dbraw/zinc/96/08/81/1052960881.db2.gz ZSECLJSCKMDFBA-KRWDZBQOSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@@H](Oc1c([O-])cc(Br)cc1F)c1cccs1 ZINC001227583919 1053002123 /nfs/dbraw/zinc/00/21/23/1053002123.db2.gz OPBFSSKRJHCXML-SSDOTTSWSA-N -1 3 317.179 4.495 20 0 DIADHM [O-]c1cc(Br)cc(F)c1O[C@@H]1CCc2ccccc21 ZINC001227584855 1053002312 /nfs/dbraw/zinc/00/23/12/1053002312.db2.gz WDFMRCLWDRNYPJ-CQSZACIVSA-N -1 3 323.161 4.360 20 0 DIADHM [O-]c1cc(Br)cc(F)c1O[C@H]1CCc2ccccc21 ZINC001227584854 1053002482 /nfs/dbraw/zinc/00/24/82/1053002482.db2.gz WDFMRCLWDRNYPJ-AWEZNQCLSA-N -1 3 323.161 4.360 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccc(F)c1F ZINC001227584835 1053002742 /nfs/dbraw/zinc/00/27/42/1053002742.db2.gz VSMSQKDVFQCETL-SSDOTTSWSA-N -1 3 319.229 4.224 20 0 DIADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1cc2ccccc2s1 ZINC001228008435 1053035836 /nfs/dbraw/zinc/03/58/36/1053035836.db2.gz NVPABDONSUHQGN-SNVBAGLBSA-N -1 3 323.377 4.085 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCc2cccnc21 ZINC001228135380 1053046227 /nfs/dbraw/zinc/04/62/27/1053046227.db2.gz ZTUMXWBTYYLQHY-QGZVFWFLSA-N -1 3 311.381 4.009 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1ccncc1F ZINC001228134832 1053046272 /nfs/dbraw/zinc/04/62/72/1053046272.db2.gz SCSLDUZBNBDKPA-GFCCVEGCSA-N -1 3 317.360 4.221 20 0 DIADHM C[C@@H](Cc1ccco1)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154075 1053048179 /nfs/dbraw/zinc/04/81/79/1053048179.db2.gz IZEHVKUWSOYQLN-AWEZNQCLSA-N -1 3 322.360 4.226 20 0 DIADHM CC(=O)c1ccc(C)c(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001228351960 1053081948 /nfs/dbraw/zinc/08/19/48/1053081948.db2.gz LTCDROJANPITPD-IBGZPJMESA-N -1 3 324.332 4.387 20 0 DIADHM Cc1sc(NC(=O)c2cc([O-])ccc2Cl)nc1C(C)C ZINC000617247944 1053112971 /nfs/dbraw/zinc/11/29/71/1053112971.db2.gz ZJEJTGJLAPRBQP-UHFFFAOYSA-N -1 3 310.806 4.186 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000617252009 1053116012 /nfs/dbraw/zinc/11/60/12/1053116012.db2.gz GHGRYHIDZLMZDR-UHFFFAOYSA-N -1 3 310.806 4.426 20 0 DIADHM CCCc1nc(C(=O)[N-]c2ccc(Cl)cc2SC)co1 ZINC000617252359 1053117029 /nfs/dbraw/zinc/11/70/29/1053117029.db2.gz SHOHTVMROIKIDS-UHFFFAOYSA-N -1 3 310.806 4.255 20 0 DIADHM [O-]c1cc(F)cnc1Nc1ccc(CNc2ccccc2)cc1 ZINC001212300480 1053143714 /nfs/dbraw/zinc/14/37/14/1053143714.db2.gz WOVMXFZKJMYVTM-UHFFFAOYSA-N -1 3 309.344 4.282 20 0 DIADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)c(F)c1 ZINC001318006076 1053144748 /nfs/dbraw/zinc/14/47/48/1053144748.db2.gz WGXNUSFDKXZTLE-MRVPVSSYSA-N -1 3 307.321 4.426 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001228622033 1053147780 /nfs/dbraw/zinc/14/77/80/1053147780.db2.gz GUTBXYCWEDSHQQ-UEKVPHQBSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cccc2c1[C@H](Oc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001228626768 1053149392 /nfs/dbraw/zinc/14/93/92/1053149392.db2.gz CJCUULXOAJIJFN-MRXNPFEDSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cccc([C@H](C)Oc2c([O-])ccc3c(C)cc(=O)oc32)c1 ZINC001228623992 1053149633 /nfs/dbraw/zinc/14/96/33/1053149633.db2.gz WATXLLPKNBPEPU-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1cccc(F)c1 ZINC001228630878 1053151301 /nfs/dbraw/zinc/15/13/01/1053151301.db2.gz VVNJCMNXMSXKEH-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM COc1cccc2cc(C[N-]c3nc(-c4ccccc4)no3)oc21 ZINC001318231145 1053157096 /nfs/dbraw/zinc/15/70/96/1053157096.db2.gz FQBPJLGBCOYFNA-UHFFFAOYSA-N -1 3 321.336 4.104 20 0 DIADHM CC(C)Oc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001360114200 1053185228 /nfs/dbraw/zinc/18/52/28/1053185228.db2.gz DOUSFJQMRVGSBS-UHFFFAOYSA-N -1 3 306.745 4.052 20 0 DIADHM CCCCC(=O)[C@H](CCCC)Oc1cc2c(cc1[O-])CCC2=O ZINC001228854287 1053194201 /nfs/dbraw/zinc/19/42/01/1053194201.db2.gz QMNMBVPDMXDIKB-SFHVURJKSA-N -1 3 318.413 4.218 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC[C@@H]1CCC(C)(C)O1 ZINC001228959132 1053213566 /nfs/dbraw/zinc/21/35/66/1053213566.db2.gz RQYXLSDRNSLUCV-ZDUSSCGKSA-N -1 3 306.402 4.055 20 0 DIADHM CC[C@H]1CCCC[C@H]1Oc1cc(O)cc([O-])c1Br ZINC001229100195 1053246341 /nfs/dbraw/zinc/24/63/41/1053246341.db2.gz QSOQSPCOUPUYEQ-JOYOIKCWSA-N -1 3 315.207 4.208 20 0 DIADHM CC[C@H](Oc1cc(O)cc([O-])c1Br)C(C)(C)C ZINC001229099424 1053246161 /nfs/dbraw/zinc/24/61/61/1053246161.db2.gz JYJUSDNSKRBESF-NSHDSACASA-N -1 3 303.196 4.064 20 0 DIADHM CC/C=C(\C)[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096672 1053246663 /nfs/dbraw/zinc/24/66/63/1053246663.db2.gz HQZLRYBSNHLSSJ-LZGFCCKTSA-N -1 3 315.207 4.374 20 0 DIADHM CCC[C@H](Oc1cc(O)cc([O-])c1Br)[C@@H](C)CC ZINC001229100153 1053247122 /nfs/dbraw/zinc/24/71/22/1053247122.db2.gz QIEXHTYHCJSHHD-CABZTGNLSA-N -1 3 317.223 4.454 20 0 DIADHM CC[C@H](C)C[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229101159 1053247723 /nfs/dbraw/zinc/24/77/23/1053247723.db2.gz ZYOPJAARSTWMNI-ONGXEEELSA-N -1 3 317.223 4.454 20 0 DIADHM CC[C@@H](C)C[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229101157 1053248130 /nfs/dbraw/zinc/24/81/30/1053248130.db2.gz ZYOPJAARSTWMNI-KOLCDFICSA-N -1 3 317.223 4.454 20 0 DIADHM [O-]c1cccc(O[C@H]2CCCc3cccnc32)c1Br ZINC001229139898 1053256513 /nfs/dbraw/zinc/25/65/13/1053256513.db2.gz NTAZPAWUDZYHBY-ZDUSSCGKSA-N -1 3 320.186 4.006 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCOc3ccccc32)c1Br ZINC001229139817 1053257300 /nfs/dbraw/zinc/25/73/00/1053257300.db2.gz MTTMFGUQFMXUSQ-CYBMUJFWSA-N -1 3 321.170 4.057 20 0 DIADHM COc1ccc([C@H](C)Oc2cccc([O-])c2Br)cc1 ZINC001229140265 1053257436 /nfs/dbraw/zinc/25/74/36/1053257436.db2.gz ZAKFJSQXQLUJFE-JTQLQIEISA-N -1 3 323.186 4.303 20 0 DIADHM C[C@@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C1CC1 ZINC001229266982 1053287160 /nfs/dbraw/zinc/28/71/60/1053287160.db2.gz BOTJWKIQDPPBND-GFCCVEGCSA-N -1 3 322.360 4.343 20 0 DIADHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000774787580 1053315548 /nfs/dbraw/zinc/31/55/48/1053315548.db2.gz IKISIPDQTCUAHC-HNNXBMFYSA-N -1 3 319.408 4.008 20 0 DIADHM CC1(C)CC(Oc2nc(=S)[n-]c3sccc32)CC(C)(C)O1 ZINC001229567658 1053356193 /nfs/dbraw/zinc/35/61/93/1053356193.db2.gz DTCJWPYXPWETCM-UHFFFAOYSA-N -1 3 324.471 4.095 20 0 DIADHM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cccc([O-])c1F ZINC001545835973 1053369219 /nfs/dbraw/zinc/36/92/19/1053369219.db2.gz WSYGADHXKAXLQA-UWVGGRQHSA-N -1 3 319.298 4.229 20 0 DIADHM COc1ccc2cc([C@H](C)Oc3nc(C)[n-]c(=O)c3C)ccc2c1 ZINC001229684988 1053384386 /nfs/dbraw/zinc/38/43/86/1053384386.db2.gz HVDFQXAKMBMTEY-LBPRGKRZSA-N -1 3 324.380 4.101 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@@H](C)C2CC2)c1 ZINC001229807300 1053407257 /nfs/dbraw/zinc/40/72/57/1053407257.db2.gz IZNDTPYJWBJNDB-LBPRGKRZSA-N -1 3 314.381 4.242 20 0 DIADHM Cc1cccc(Cl)c1NC(=S)Nc1c([O-])cccc1F ZINC001200192229 1053449876 /nfs/dbraw/zinc/44/98/76/1053449876.db2.gz DWSOOVQLWDJAQN-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM [O-]c1c(Cl)cccc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000182676430 1053495340 /nfs/dbraw/zinc/49/53/40/1053495340.db2.gz UZMJUWLVYNKHQX-UHFFFAOYSA-N -1 3 323.770 4.493 20 0 DIADHM CCCc1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000847638387 1053523084 /nfs/dbraw/zinc/52/30/84/1053523084.db2.gz WDRDLLTYOKITHG-UHFFFAOYSA-N -1 3 322.242 4.111 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc([O-])c(F)c2)c(Cl)c1 ZINC001200338930 1053572972 /nfs/dbraw/zinc/57/29/72/1053572972.db2.gz HEBAHKUGVCQTGB-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C(F)F)ccc2F)c1[O-] ZINC001300316129 1053591303 /nfs/dbraw/zinc/59/13/03/1053591303.db2.gz UAMPYGRPGKNGQR-UHFFFAOYSA-N -1 3 309.287 4.284 20 0 DIADHM CC(C)n1cccc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000153354222 1053607423 /nfs/dbraw/zinc/60/74/23/1053607423.db2.gz VKBIRGILYVMQPE-UHFFFAOYSA-N -1 3 312.291 4.046 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263346644 1053612205 /nfs/dbraw/zinc/61/22/05/1053612205.db2.gz OTJCQFPAEZWSFY-VWYCJHECSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C/C(C)(C)C ZINC001324577411 1053663380 /nfs/dbraw/zinc/66/33/80/1053663380.db2.gz RXHYRLGWNQMXDA-BQYQJAHWSA-N -1 3 312.207 4.004 20 0 DIADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1csc(Cl)c1 ZINC001231072982 1053666613 /nfs/dbraw/zinc/66/66/13/1053666613.db2.gz DNVSHVGPCFTLCI-SSDOTTSWSA-N -1 3 324.764 4.329 20 0 DIADHM CC[C@@H]1CCC[C@H](C)N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000620577555 1053677113 /nfs/dbraw/zinc/67/71/13/1053677113.db2.gz IWXCORRKIITFMQ-DZGCQCFKSA-N -1 3 307.409 4.034 20 0 DIADHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC001231118476 1053677335 /nfs/dbraw/zinc/67/73/35/1053677335.db2.gz PCIJIMZGPJIUBE-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC001231118476 1053677342 /nfs/dbraw/zinc/67/73/42/1053677342.db2.gz PCIJIMZGPJIUBE-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM CCOc1ccc([C@@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001435787572 1053679947 /nfs/dbraw/zinc/67/99/47/1053679947.db2.gz XHLXAXFPLIUISS-LLVKDONJSA-N -1 3 320.772 4.362 20 0 DIADHM CCc1ccc(C(=O)N2CCc3ccc(C(C)C)cc3C2)c([O-])c1 ZINC001300446031 1053702834 /nfs/dbraw/zinc/70/28/34/1053702834.db2.gz VWIMOBYJMNUFAN-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM Cc1nn(C)cc1[C@H](C)Oc1ccccc1Oc1ccccc1[O-] ZINC001231218426 1053704260 /nfs/dbraw/zinc/70/42/60/1053704260.db2.gz JTKLPVARLBVCKE-AWEZNQCLSA-N -1 3 324.380 4.366 20 0 DIADHM [O-]c1ccccc1Oc1ccccc1OC1CCSCC1 ZINC001231217495 1053704430 /nfs/dbraw/zinc/70/44/30/1053704430.db2.gz BVNJNLHYFKADCJ-UHFFFAOYSA-N -1 3 302.395 4.459 20 0 DIADHM CCC(=O)[C@@H](CC)Oc1ccccc1Oc1ccccc1[O-] ZINC001231224108 1053705470 /nfs/dbraw/zinc/70/54/70/1053705470.db2.gz WFBWBWDNEUAQDW-OAHLLOKOSA-N -1 3 300.354 4.321 20 0 DIADHM O=C(NCc1ccc(-c2cccs2)cc1)c1ccccc1[O-] ZINC001300467548 1053730585 /nfs/dbraw/zinc/73/05/85/1053730585.db2.gz QVOQOMNURSUFSK-UHFFFAOYSA-N -1 3 309.390 4.051 20 0 DIADHM [O-]c1ccc(CN2Cc3ccc(F)cc3C2)cc1C(F)(F)F ZINC001231523236 1053776974 /nfs/dbraw/zinc/77/69/74/1053776974.db2.gz RWFWLTNWEZEGBD-UHFFFAOYSA-N -1 3 311.278 4.066 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1CC1CC1 ZINC001326427797 1053780736 /nfs/dbraw/zinc/78/07/36/1053780736.db2.gz CSTJRMWLKVWPAF-UHFFFAOYSA-N -1 3 318.804 4.126 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2c2ccncc2)cc1C(F)(F)F ZINC001231524145 1053781021 /nfs/dbraw/zinc/78/10/21/1053781021.db2.gz GRDKJWWPQQEAMX-OAHLLOKOSA-N -1 3 322.330 4.143 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3cc(Cl)ccc3o2)n1 ZINC000155871787 1053789248 /nfs/dbraw/zinc/78/92/48/1053789248.db2.gz OPEJWQAPQYDCRJ-MRVPVSSYSA-N -1 3 321.789 4.139 20 0 DIADHM O=C(OCc1ccc2occc2c1)c1cccc(Cl)c1[O-] ZINC001436179519 1053801611 /nfs/dbraw/zinc/80/16/11/1053801611.db2.gz QLLOBOVNOHKWGI-UHFFFAOYSA-N -1 3 302.713 4.149 20 0 DIADHM [O-]c1cccc(Cl)c1NC(=S)Nc1ccc(F)c(F)c1 ZINC001200699256 1053901520 /nfs/dbraw/zinc/90/15/20/1053901520.db2.gz LZSBCWZIPNYJAJ-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM CCCc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000621246762 1053924087 /nfs/dbraw/zinc/92/40/87/1053924087.db2.gz REMGRXWJYRQOIM-AWEZNQCLSA-N -1 3 309.456 4.068 20 0 DIADHM COc1ccccc1C1(N[C@H](C)c2cccc([O-])c2F)CCC1 ZINC001329644211 1054002626 /nfs/dbraw/zinc/00/26/26/1054002626.db2.gz VDNUYZYYJXOSIA-CYBMUJFWSA-N -1 3 315.388 4.270 20 0 DIADHM O=C(Nc1cncc2c1CCCC2)c1cc([O-])c2ccccc2c1 ZINC001300769003 1054019823 /nfs/dbraw/zinc/01/98/23/1054019823.db2.gz BQIROJHMPYQPBC-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1NC(=S)Nc1ccccc1 ZINC001200838388 1054024325 /nfs/dbraw/zinc/02/43/25/1054024325.db2.gz DBLJZXNZLCIFAL-UHFFFAOYSA-N -1 3 312.316 4.220 20 0 DIADHM CC[C@@H](COC(=O)CCCc1ccc([O-])c(F)c1)CC(F)F ZINC001330209987 1054029629 /nfs/dbraw/zinc/02/96/29/1054029629.db2.gz GVSQBEIUVRGFGT-LLVKDONJSA-N -1 3 318.335 4.079 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC001437593280 1054067013 /nfs/dbraw/zinc/06/70/13/1054067013.db2.gz XUAVTLLHZSBOIV-UHFFFAOYSA-N -1 3 315.291 4.217 20 0 DIADHM C[C@H](F)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000505428350 1054078234 /nfs/dbraw/zinc/07/82/34/1054078234.db2.gz RCGCTHFTPNBCFX-QMMMGPOBSA-N -1 3 301.387 4.261 20 0 DIADHM [O-]c1c(Cl)ccc(CN2C[C@H]3CCCC[C@@H]3C2)c1Cl ZINC001232626416 1054087884 /nfs/dbraw/zinc/08/78/84/1054087884.db2.gz YEOPMTWLQWQWPW-GHMZBOCLSA-N -1 3 300.229 4.321 20 0 DIADHM Cc1ccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)cc1C ZINC000622273077 1054137063 /nfs/dbraw/zinc/13/70/63/1054137063.db2.gz XNGJORNCRFJPAR-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000622273445 1054138689 /nfs/dbraw/zinc/13/86/89/1054138689.db2.gz ODDFWFIOYHAAPW-UHFFFAOYSA-N -1 3 321.779 4.455 20 0 DIADHM [O-]c1c(F)ccc(CN2CC[C@H](c3ccccc3Cl)C2)c1F ZINC001232934991 1054148821 /nfs/dbraw/zinc/14/88/21/1054148821.db2.gz LQLNIOZHVTWOJS-NSHDSACASA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC(c3ccc(F)cc3)CC2)c1F ZINC001232936944 1054152588 /nfs/dbraw/zinc/15/25/88/1054152588.db2.gz ZYQNSACBDGKBRC-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM [O-]c1cc(CN2CCC[C@H](c3ccccc3)C2)cc(F)c1F ZINC001232971845 1054163557 /nfs/dbraw/zinc/16/35/57/1054163557.db2.gz QHUNZCMBTYHXDH-HNNXBMFYSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc(F)c1F ZINC001232975288 1054163715 /nfs/dbraw/zinc/16/37/15/1054163715.db2.gz YZHIPTAUZPTJTC-OAHLLOKOSA-N -1 3 321.342 4.017 20 0 DIADHM [O-]c1cccc(CN2CCC(c3ccccc3F)CC2)c1F ZINC001233052602 1054177678 /nfs/dbraw/zinc/17/76/78/1054177678.db2.gz PWWSKHXFSYZOLG-UHFFFAOYSA-N -1 3 303.352 4.050 20 0 DIADHM [O-]c1cccc(CN2CCC(c3ccc(F)cc3F)CC2)c1F ZINC001233055016 1054178223 /nfs/dbraw/zinc/17/82/23/1054178223.db2.gz JIXOANLCGFUEQQ-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CCc1cccc(C(=O)N(CCC(C)C)C2CCCC2)c1[O-] ZINC000622334429 1054178784 /nfs/dbraw/zinc/17/87/84/1054178784.db2.gz LSHMBKRZAHXSHN-UHFFFAOYSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000622358759 1054180463 /nfs/dbraw/zinc/18/04/63/1054180463.db2.gz ZQBBVUDCLCNXBA-KRWDZBQOSA-N -1 3 323.436 4.050 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2F)c([O-])c1C ZINC000622338714 1054180609 /nfs/dbraw/zinc/18/06/09/1054180609.db2.gz VLXQIVMVFPDBFJ-UHFFFAOYSA-N -1 3 317.360 4.188 20 0 DIADHM Cc1cc(C)c2c(c1)N(C(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000622349364 1054183175 /nfs/dbraw/zinc/18/31/75/1054183175.db2.gz XJLRSBXMLJIKHL-UHFFFAOYSA-N -1 3 315.800 4.255 20 0 DIADHM CC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])c1nc(C)cs1 ZINC000622356139 1054187280 /nfs/dbraw/zinc/18/72/80/1054187280.db2.gz BWWZODMBRCCQEI-AWEZNQCLSA-N -1 3 318.442 4.162 20 0 DIADHM CC(C)c1nc(CNC[C@H](C(=O)[O-])C2CCCCCC2)cs1 ZINC001334406818 1054189899 /nfs/dbraw/zinc/18/98/99/1054189899.db2.gz IJZSPWOXYYSJKJ-HNNXBMFYSA-N -1 3 324.490 4.027 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000622413385 1054208328 /nfs/dbraw/zinc/20/83/28/1054208328.db2.gz NYJYOALWNAGJKQ-UHFFFAOYSA-N -1 3 315.344 4.023 20 0 DIADHM Cc1ccc(C(=O)N(CC2CCC2)c2ccccc2)c([O-])c1C ZINC000622421199 1054211581 /nfs/dbraw/zinc/21/15/81/1054211581.db2.gz PITYQSJDHUAHLE-UHFFFAOYSA-N -1 3 309.409 4.456 20 0 DIADHM CC[C@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622431923 1054223943 /nfs/dbraw/zinc/22/39/43/1054223943.db2.gz ORQPOKAWVYKWSR-OAQYLSRUSA-N -1 3 323.436 4.245 20 0 DIADHM COc1ccc([C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001472983584 1054236906 /nfs/dbraw/zinc/23/69/06/1054236906.db2.gz YTJWJDCUDAGGFB-LLVKDONJSA-N -1 3 316.426 4.063 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@H](c3cccc(Cl)c3)C2)c1F ZINC001233396090 1054258672 /nfs/dbraw/zinc/25/86/72/1054258672.db2.gz JJHXCMNESQIDBN-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM COc1ccc(CN2Cc3ccccc3[C@H](C)C2)c(Cl)c1[O-] ZINC001233397928 1054258719 /nfs/dbraw/zinc/25/87/19/1054258719.db2.gz QTLHIKSWYDEZDL-GFCCVEGCSA-N -1 3 317.816 4.174 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001233395932 1054261592 /nfs/dbraw/zinc/26/15/92/1054261592.db2.gz ZYUQXDWMAKDXJA-HNNXBMFYSA-N -1 3 317.379 4.125 20 0 DIADHM CCN(Cc1ccccc1F)Cc1ccc(OC)c([O-])c1Cl ZINC001233400980 1054263242 /nfs/dbraw/zinc/26/32/42/1054263242.db2.gz HLNNCAWNSLZWKH-UHFFFAOYSA-N -1 3 323.795 4.215 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c([O-])c1 ZINC000622543583 1054278239 /nfs/dbraw/zinc/27/82/39/1054278239.db2.gz NEWRGJULCQQBIP-ZDUSSCGKSA-N -1 3 317.351 4.222 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2CCC(F)(F)CC2)c([O-])c1 ZINC000622584102 1054291963 /nfs/dbraw/zinc/29/19/63/1054291963.db2.gz QGTOQXNCLFOLIZ-UHFFFAOYSA-N -1 3 311.372 4.071 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCCC(F)(F)C2)c([O-])c1 ZINC000622582961 1054292136 /nfs/dbraw/zinc/29/21/36/1054292136.db2.gz GQBWGHQSTPCEIR-GFCCVEGCSA-N -1 3 311.372 4.071 20 0 DIADHM [O-]c1coc2ccc(O[C@@H]3Cc4cccc5cccc3c45)cc12 ZINC001233678528 1054328887 /nfs/dbraw/zinc/32/88/87/1054328887.db2.gz UXIJZIWMQMYGIT-LJQANCHMSA-N -1 3 302.329 4.091 20 0 DIADHM [O-]c1coc2ccc(O[C@H]3CCCC[C@@H]3c3ccccc3)cc12 ZINC001233680543 1054329111 /nfs/dbraw/zinc/32/91/11/1054329111.db2.gz KVYRXSWUOFJLCQ-UZLBHIALSA-N -1 3 308.377 4.367 20 0 DIADHM Cc1ccc(Cl)cc1[C@@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233676985 1054330423 /nfs/dbraw/zinc/33/04/23/1054330423.db2.gz BYIGXDRMECMDNI-LLVKDONJSA-N -1 3 302.757 4.364 20 0 DIADHM CC(C)c1ccc(C(=O)NCCc2cccc(Cl)c2)c([O-])c1 ZINC001440536708 1054355719 /nfs/dbraw/zinc/35/57/19/1054355719.db2.gz KLRNAKVMKGXSPX-UHFFFAOYSA-N -1 3 317.816 4.142 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001440639397 1054360308 /nfs/dbraw/zinc/36/03/08/1054360308.db2.gz QQBQSWFKULCPFN-UHFFFAOYSA-N -1 3 324.424 4.333 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](C2CCCCC2)C1 ZINC000622750378 1054367406 /nfs/dbraw/zinc/36/74/06/1054367406.db2.gz GNQBOPNJAZNBMC-CYBMUJFWSA-N -1 3 307.821 4.088 20 0 DIADHM CCc1ccc([C@@H](NC(=O)c2ccc(C)cc2[O-])C(C)C)cc1 ZINC001440834215 1054371146 /nfs/dbraw/zinc/37/11/46/1054371146.db2.gz RRLIKUJOQXOLFV-IBGZPJMESA-N -1 3 311.425 4.390 20 0 DIADHM Cc1cccc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1[O-] ZINC001440922097 1054375205 /nfs/dbraw/zinc/37/52/05/1054375205.db2.gz GCMUJSAVCZTDDX-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCCCC1CCC(NC(=O)c2ccc(CC)cc2[O-])CC1 ZINC001442113057 1054412092 /nfs/dbraw/zinc/41/20/92/1054412092.db2.gz JJIQAXUPPYIKDB-UHFFFAOYSA-N -1 3 303.446 4.433 20 0 DIADHM Cc1ccc(C)c2sc(NC(=O)c3cccc(C)c3[O-])nc21 ZINC001443493010 1054449468 /nfs/dbraw/zinc/44/94/68/1054449468.db2.gz RBKPGZUBRGXQIR-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c([O-])c1 ZINC001443730581 1054456985 /nfs/dbraw/zinc/45/69/85/1054456985.db2.gz JMYFBBDRTGMVSR-QGZVFWFLSA-N -1 3 313.372 4.072 20 0 DIADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444357714 1054475893 /nfs/dbraw/zinc/47/58/93/1054475893.db2.gz WZBZQAFNVKRNBY-LSDHHAIUSA-N -1 3 311.425 4.147 20 0 DIADHM C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC001444677487 1054482811 /nfs/dbraw/zinc/48/28/11/1054482811.db2.gz LLRPKDVAJHKGQD-HOTGVXAUSA-N -1 3 323.436 4.244 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC001445167338 1054498780 /nfs/dbraw/zinc/49/87/80/1054498780.db2.gz UDWAFIHOAXCILS-HUUCEWRRSA-N -1 3 311.425 4.438 20 0 DIADHM CC(=O)c1cc(OC(=C([O-])c2ccco2)c2ccco2)ccc1C ZINC001234323215 1054500465 /nfs/dbraw/zinc/50/04/65/1054500465.db2.gz YXQMJKIAXMDYPF-IBGZPJMESA-N -1 3 324.332 4.387 20 0 DIADHM CCCCc1ccc(N(C)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001445400855 1054504742 /nfs/dbraw/zinc/50/47/42/1054504742.db2.gz FSMFYHFXQXGFPU-UHFFFAOYSA-N -1 3 315.388 4.079 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)c(Cl)cc1Cl ZINC000174885244 1054517661 /nfs/dbraw/zinc/51/76/61/1054517661.db2.gz YLZUSJUNOSHDRB-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001234443313 1054524284 /nfs/dbraw/zinc/52/42/84/1054524284.db2.gz GFYLICQBMNNRBD-HDJSIYSDSA-N -1 3 322.763 4.311 20 0 DIADHM COc1ccc2c(c1)CC[C@@H](Oc1c([O-])cc(Cl)cc1F)C2 ZINC001234443496 1054524533 /nfs/dbraw/zinc/52/45/33/1054524533.db2.gz HMTQTVCOLRJQSM-CQSZACIVSA-N -1 3 322.763 4.130 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1CCc2c1nccc2Cl ZINC001234446497 1054525043 /nfs/dbraw/zinc/52/50/43/1054525043.db2.gz GAFPSVYLXKRUKI-GFCCVEGCSA-N -1 3 314.143 4.299 20 0 DIADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)c1cc(-c2ccccc2)no1 ZINC001234452282 1054525399 /nfs/dbraw/zinc/52/53/99/1054525399.db2.gz MTADFQUEVRAGJS-NSHDSACASA-N -1 3 321.336 4.064 20 0 DIADHM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(C)cc1[O-] ZINC001446125724 1054525549 /nfs/dbraw/zinc/52/55/49/1054525549.db2.gz NMHCASLFODOGFS-UHFFFAOYSA-N -1 3 318.804 4.428 20 0 DIADHM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC001446243022 1054530893 /nfs/dbraw/zinc/53/08/93/1054530893.db2.gz VKINAHJUYZSHPY-WWAWELGDSA-N -1 3 305.393 4.488 20 0 DIADHM CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC001446243626 1054531832 /nfs/dbraw/zinc/53/18/32/1054531832.db2.gz ZYEWRDAOCIATIV-FMIVXFBMSA-N -1 3 313.372 4.481 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/Cc1ncc(-c2ccccc2)cn1 ZINC000185480653 1054553389 /nfs/dbraw/zinc/55/33/89/1054553389.db2.gz WMZJTBWHZWNJQG-AWQFTUOYSA-N -1 3 323.783 4.122 20 0 DIADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447273539 1054559449 /nfs/dbraw/zinc/55/94/49/1054559449.db2.gz JNKASMSFRHKQLO-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM C[C@@H]1CCc2sc(C(=O)Nc3ccc(Cl)cc3[O-])cc2C1 ZINC001447276964 1054559659 /nfs/dbraw/zinc/55/96/59/1054559659.db2.gz WGIFGIKESYLZJM-SECBINFHSA-N -1 3 321.829 4.484 20 0 DIADHM Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000320 1054574959 /nfs/dbraw/zinc/57/49/59/1054574959.db2.gz KQKNQLAJHJYYDY-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1ccccc1C[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000321 1054575393 /nfs/dbraw/zinc/57/53/93/1054575393.db2.gz KQKNQLAJHJYYDY-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2N(C)C(C)C)c([O-])c1 ZINC001448186728 1054591591 /nfs/dbraw/zinc/59/15/91/1054591591.db2.gz LXYTYWQFZBXMQT-UHFFFAOYSA-N -1 3 312.413 4.052 20 0 DIADHM Cc1ccc(OC(C)C)c(COc2nc3ccsc3[n-]2)c1 ZINC001234848322 1054600669 /nfs/dbraw/zinc/60/06/69/1054600669.db2.gz PFSIQCQNBZPPLS-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM Cc1ccc(OC(C)C)c(COc2nc3sccc3[n-]2)c1 ZINC001234848322 1054600675 /nfs/dbraw/zinc/60/06/75/1054600675.db2.gz PFSIQCQNBZPPLS-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM CC1=C(C)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001448649857 1054602376 /nfs/dbraw/zinc/60/23/76/1054602376.db2.gz MDFJHJIPCTXREL-UHFFFAOYSA-N -1 3 323.392 4.367 20 0 DIADHM Cc1ccc(F)cc1[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001358154071 1054611991 /nfs/dbraw/zinc/61/19/91/1054611991.db2.gz QMAAFJYATFDQCK-SNVBAGLBSA-N -1 3 308.736 4.411 20 0 DIADHM CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC001449448923 1054621591 /nfs/dbraw/zinc/62/15/91/1054621591.db2.gz QRVMQZGBMUSRSS-AWEZNQCLSA-N -1 3 303.427 4.306 20 0 DIADHM CCOc1ccc(Cl)c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC001449934006 1054632645 /nfs/dbraw/zinc/63/26/45/1054632645.db2.gz TVHPGSDCSIDPPT-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CC1(C)CC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(C)(C)C1 ZINC001450049810 1054635409 /nfs/dbraw/zinc/63/54/09/1054635409.db2.gz IHWNVSOZTLJOMP-UHFFFAOYSA-N -1 3 315.417 4.060 20 0 DIADHM CC(C)=C(C)CC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001450230215 1054641340 /nfs/dbraw/zinc/64/13/40/1054641340.db2.gz WDDJUJFQOARJBE-UHFFFAOYSA-N -1 3 312.207 4.148 20 0 DIADHM C/C(=C/c1ccc(C)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001450265056 1054643808 /nfs/dbraw/zinc/64/38/08/1054643808.db2.gz ZCTDKCXECBWOJO-BENRWUELSA-N -1 3 301.773 4.396 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccsc1C(F)F ZINC001450266623 1054644220 /nfs/dbraw/zinc/64/42/20/1054644220.db2.gz RSYXNJHGFDVVGS-UHFFFAOYSA-N -1 3 303.717 4.297 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(C(F)F)c(F)c1 ZINC001450263637 1054644300 /nfs/dbraw/zinc/64/43/00/1054644300.db2.gz KALCIAAYKXAZFG-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC001450370951 1054646082 /nfs/dbraw/zinc/64/60/82/1054646082.db2.gz NLMJXMOGAKPDSG-KLHKWILBSA-N -1 3 303.446 4.444 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001450404225 1054647448 /nfs/dbraw/zinc/64/74/48/1054647448.db2.gz IPQVBMWGKCXRFT-GDBMZVCRSA-N -1 3 303.446 4.462 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2cc(F)ccc2s1 ZINC000179147798 1054667805 /nfs/dbraw/zinc/66/78/05/1054667805.db2.gz WTMNQQJIQJMQOZ-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cnc(-c2ccco2)s1 ZINC000179192487 1054670236 /nfs/dbraw/zinc/67/02/36/1054670236.db2.gz KNOYRLYGPORZMU-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3ccnc(Cl)c3c2)c([O-])c1 ZINC001451818320 1054689263 /nfs/dbraw/zinc/68/92/63/1054689263.db2.gz KCRBBQVOICNIPH-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(=O)c1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000350584848 1054701886 /nfs/dbraw/zinc/70/18/86/1054701886.db2.gz PHJBCJOZURJBPB-UHFFFAOYSA-N -1 3 320.304 4.058 20 0 DIADHM C[C@H]1CC(CNC(=O)c2cc3sccc3c([O-])c2)C[C@H](C)C1 ZINC001453052921 1054728990 /nfs/dbraw/zinc/72/89/90/1054728990.db2.gz AVEZTCJHTOCZKU-VXGBXAGGSA-N -1 3 317.454 4.409 20 0 DIADHM O=C(NCCCC1CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001453588659 1054741017 /nfs/dbraw/zinc/74/10/17/1054741017.db2.gz UUWVPBCVPSNIAX-UHFFFAOYSA-N -1 3 323.436 4.293 20 0 DIADHM C[C@H](CC(=O)Nc1cccc([O-])c1F)Cc1ccc(Cl)cc1 ZINC000180246771 1054745075 /nfs/dbraw/zinc/74/50/75/1054745075.db2.gz IGIIJOMNXYJYRH-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM COc1cc2ccnc(-c3cc([O-])cc(Cl)c3)c2cc1F ZINC001235899473 1054836914 /nfs/dbraw/zinc/83/69/14/1054836914.db2.gz IHDADSASLROPHM-UHFFFAOYSA-N -1 3 303.720 4.409 20 0 DIADHM Cc1nc2ccc(-c3cc([O-])cc(Cl)c3)nc2n1C(C)C ZINC001235899535 1054837324 /nfs/dbraw/zinc/83/73/24/1054837324.db2.gz IBPXGSVWKZKKJV-UHFFFAOYSA-N -1 3 301.777 4.347 20 0 DIADHM CSc1nc2sccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899344 1054837550 /nfs/dbraw/zinc/83/75/50/1054837550.db2.gz KEEBIFXTKKDLMB-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM COC(=O)c1ccc2cc(-c3cc([O-])cc(Cl)c3)ncc2c1 ZINC001235898477 1054838310 /nfs/dbraw/zinc/83/83/10/1054838310.db2.gz IVBIJXQHLOPFAK-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CCc1cc(-c2cc([O-])cc(Cl)c2)nc(-c2ccccn2)n1 ZINC001235901327 1054839224 /nfs/dbraw/zinc/83/92/24/1054839224.db2.gz UIFJMSQTAFBGAL-UHFFFAOYSA-N -1 3 311.772 4.127 20 0 DIADHM COC(=O)c1cccc2nc(-c3cc([O-])cc(Cl)c3)ccc21 ZINC001235900499 1054840186 /nfs/dbraw/zinc/84/01/86/1054840186.db2.gz OKDZTBVZYBQBIU-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM COc1ccc(-c2ccnc(-c3cc([O-])cc(Cl)c3)n2)cc1 ZINC001235900626 1054840393 /nfs/dbraw/zinc/84/03/93/1054840393.db2.gz ZOJCITSWFFCSPK-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COc1cc(OC)c2ccnc(-c3cc([O-])cc(Cl)c3)c2c1 ZINC001235901138 1054840838 /nfs/dbraw/zinc/84/08/38/1054840838.db2.gz RTYNHTIDHRNLST-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccnc(CCc3ccccc3)n2)c1 ZINC001235900420 1054840950 /nfs/dbraw/zinc/84/09/50/1054840950.db2.gz NVCQBZAWNRRCFR-UHFFFAOYSA-N -1 3 310.784 4.288 20 0 DIADHM CSc1nc(-c2cc([O-])cc(Cl)c2)cc(C(F)F)n1 ZINC001235901195 1054841128 /nfs/dbraw/zinc/84/11/28/1054841128.db2.gz RITPSWAFRIZDQZ-UHFFFAOYSA-N -1 3 302.733 4.162 20 0 DIADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1cccc(F)c1 ZINC001235905005 1054842568 /nfs/dbraw/zinc/84/25/68/1054842568.db2.gz SOULPUQRBSXBOH-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM FC(F)(F)c1cc(Cl)cc(-c2ccccc2-c2nnn[n-]2)c1 ZINC001236203341 1054998140 /nfs/dbraw/zinc/99/81/40/1054998140.db2.gz NBIRBNGLWRASEY-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cc(Cl)cc(-c2ccccc2-c2nn[n-]n2)c1 ZINC001236203341 1054998151 /nfs/dbraw/zinc/99/81/51/1054998151.db2.gz NBIRBNGLWRASEY-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1ccc(F)c(Cl)c1F ZINC000182767302 1055008660 /nfs/dbraw/zinc/00/86/60/1055008660.db2.gz MFDYZMDRSUSJDO-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM Cc1ccc(COc2ccc(C=Cc3nccc(=O)[n-]3)cc2)cc1 ZINC000764433071 1055183412 /nfs/dbraw/zinc/18/34/12/1055183412.db2.gz BDIRNYSUMFBPPI-DHZHZOJOSA-N -1 3 318.376 4.240 20 0 DIADHM O=c1ccnc(C=Cc2ccc(OCc3ccccc3F)cc2)[n-]1 ZINC000764441747 1055187208 /nfs/dbraw/zinc/18/72/08/1055187208.db2.gz KLSFLZZBSBICHH-YFHOEESVSA-N -1 3 322.339 4.071 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H]2c2ccc(F)cc2F)ccc1F ZINC001236707749 1055238135 /nfs/dbraw/zinc/23/81/35/1055238135.db2.gz KJESBPJFBRQNNK-MRXNPFEDSA-N -1 3 307.315 4.147 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c1 ZINC001587276345 1055258043 /nfs/dbraw/zinc/25/80/43/1055258043.db2.gz UYCFZUPSXUVXLK-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc(C3CCCCC3)cs2)c1 ZINC001587321274 1055268653 /nfs/dbraw/zinc/26/86/53/1055268653.db2.gz UEUCHVFYAFGYEH-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM COc1ccc([C@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000764893561 1055282886 /nfs/dbraw/zinc/28/28/86/1055282886.db2.gz UURCPSWZTHMQEG-JTQLQIEISA-N -1 3 301.367 4.156 20 0 DIADHM CCc1ccc(C(C)(C)NC(=O)c2cccc(CC)c2[O-])cc1 ZINC001587526453 1055318547 /nfs/dbraw/zinc/31/85/47/1055318547.db2.gz ABECPCVUDVULOU-UHFFFAOYSA-N -1 3 311.425 4.182 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC001587675105 1055344036 /nfs/dbraw/zinc/34/40/36/1055344036.db2.gz KNURWMJTELIOLW-UHFFFAOYSA-N -1 3 322.364 4.226 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)c([O-])c1 ZINC001587789100 1055366656 /nfs/dbraw/zinc/36/66/56/1055366656.db2.gz PKJDMKUMPGESQZ-ZBFHGGJFSA-N -1 3 315.457 4.414 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1sc(=O)[n-]c1Cl ZINC001237165394 1055390112 /nfs/dbraw/zinc/39/01/12/1055390112.db2.gz OINVKXWBDRTBKY-MRVPVSSYSA-N -1 3 317.241 4.349 20 0 DIADHM CC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1c(C)noc1C ZINC000350725537 1055396819 /nfs/dbraw/zinc/39/68/19/1055396819.db2.gz YGTXIFUXKQDTIF-MRXNPFEDSA-N -1 3 324.380 4.031 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)Cc1c(Cl)cccc1Cl ZINC001237279936 1055414681 /nfs/dbraw/zinc/41/46/81/1055414681.db2.gz XFUDRVATARDTFY-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM [O-]c1cc(F)cc(CN(Cc2ccccc2)Cc2ccccn2)c1 ZINC001237285559 1055415126 /nfs/dbraw/zinc/41/51/26/1055415126.db2.gz VQYDGSCWWWVOIV-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)c1 ZINC001237287598 1055419334 /nfs/dbraw/zinc/41/93/34/1055419334.db2.gz SELKHXMXUBKGIM-QGZVFWFLSA-N -1 3 307.315 4.147 20 0 DIADHM O=C(Nc1cnc2ccccc2c1)c1cc([O-])c2ccccc2c1 ZINC000471623929 1055451699 /nfs/dbraw/zinc/45/16/99/1055451699.db2.gz AICFFARFXRNBGJ-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM O=C(Nc1nc2ccccc2s1)c1cc([O-])c2ccccc2c1 ZINC000471640153 1055456045 /nfs/dbraw/zinc/45/60/45/1055456045.db2.gz VPSFHJMMGQMHEV-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM CCc1ccc(N(CC)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC001588308316 1055469538 /nfs/dbraw/zinc/46/95/38/1055469538.db2.gz FUCVJIIXRDEAEX-UHFFFAOYSA-N -1 3 303.789 4.275 20 0 DIADHM CC(C)(NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC001589125045 1055480804 /nfs/dbraw/zinc/48/08/04/1055480804.db2.gz DDGHPTIPRWFNMA-UHFFFAOYSA-N -1 3 323.314 4.076 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)Cc2ccc(Cl)cc2)c1 ZINC001595390740 1055593757 /nfs/dbraw/zinc/59/37/57/1055593757.db2.gz WTYUVVUREHHIBO-UHFFFAOYSA-N -1 3 317.816 4.270 20 0 DIADHM CCCNc1ccc(Cl)cc1NC(=O)c1cc(C)ccc1[O-] ZINC001596067011 1055666011 /nfs/dbraw/zinc/66/60/11/1055666011.db2.gz BRRGDECORXFQLA-UHFFFAOYSA-N -1 3 318.804 4.428 20 0 DIADHM O=C(Nc1cccc2[nH]ccc21)c1cc([O-])c2ccccc2c1 ZINC000471954645 1055685338 /nfs/dbraw/zinc/68/53/38/1055685338.db2.gz NQKOFRVBJULPIT-UHFFFAOYSA-N -1 3 302.333 4.279 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccccc1 ZINC000472198596 1055698676 /nfs/dbraw/zinc/69/86/76/1055698676.db2.gz RDTHZRYPUGNEKN-VLIAUNLRSA-N -1 3 317.388 4.379 20 0 DIADHM CCCC[C@H]1CCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565558264 1055709648 /nfs/dbraw/zinc/70/96/48/1055709648.db2.gz VPESXKLFLBAHIO-DOTOQJQBSA-N -1 3 321.436 4.329 20 0 DIADHM Cc1cc2c[nH]nc2cc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001565565809 1055710256 /nfs/dbraw/zinc/71/02/56/1055710256.db2.gz WSZNZNFBRDWXAL-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM Cc1ccc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)c([O-])c1 ZINC001565607866 1055712854 /nfs/dbraw/zinc/71/28/54/1055712854.db2.gz LENZLYORTMSNQD-UHFFFAOYSA-N -1 3 317.816 4.405 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1 ZINC001565659663 1055715633 /nfs/dbraw/zinc/71/56/33/1055715633.db2.gz AHMOJIKOVBTMTL-OLZOCXBDSA-N -1 3 307.459 4.059 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001565659176 1055716649 /nfs/dbraw/zinc/71/66/49/1055716649.db2.gz JWCGTAVKYOFYEW-GDBMZVCRSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1noc([N-]C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)c1C ZINC001538814964 1055724755 /nfs/dbraw/zinc/72/47/55/1055724755.db2.gz PCFQNTFFDIBNBA-UHFFFAOYSA-N -1 3 322.355 4.319 20 0 DIADHM C[C@H]1CCCC[C@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565749233 1055725630 /nfs/dbraw/zinc/72/56/30/1055725630.db2.gz CKGISNFDBBFIDQ-HOCLYGCPSA-N -1 3 321.436 4.187 20 0 DIADHM C[C@@H]1CCCC[C@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565749234 1055725845 /nfs/dbraw/zinc/72/58/45/1055725845.db2.gz CKGISNFDBBFIDQ-ZBFHGGJFSA-N -1 3 321.436 4.187 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(F)cc2NC(C)C)c1[O-] ZINC001565830853 1055733290 /nfs/dbraw/zinc/73/32/90/1055733290.db2.gz PROZSLWXULLOIV-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c1[O-] ZINC001565856944 1055733659 /nfs/dbraw/zinc/73/36/59/1055733659.db2.gz UDIBNRPKPAWBJI-UHFFFAOYSA-N -1 3 321.323 4.117 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC001596686712 1055734964 /nfs/dbraw/zinc/73/49/64/1055734964.db2.gz MHQSEVCXMJYQNC-MRXNPFEDSA-N -1 3 319.470 4.299 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1[O-] ZINC001566017516 1055740613 /nfs/dbraw/zinc/74/06/13/1055740613.db2.gz FMVSBYKQVNOBHW-XJKSGUPXSA-N -1 3 313.397 4.161 20 0 DIADHM CCc1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)c([O-])c1 ZINC001596844268 1055752579 /nfs/dbraw/zinc/75/25/79/1055752579.db2.gz KTLYZPZGRUQRFP-UHFFFAOYSA-N -1 3 321.376 4.145 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2csc3ccccc23)c([O-])c1 ZINC000047183123 1055752772 /nfs/dbraw/zinc/75/27/72/1055752772.db2.gz QJKSAGWSIIGENN-UHFFFAOYSA-N -1 3 311.406 4.188 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c([O-])c1 ZINC001566227729 1055753090 /nfs/dbraw/zinc/75/30/90/1055753090.db2.gz JRWWPDRDDLEATP-LLVKDONJSA-N -1 3 319.351 4.285 20 0 DIADHM O=C([N-]c1nocc1C1CC1)c1cc(Cl)cc(Cl)c1F ZINC001596874929 1055756313 /nfs/dbraw/zinc/75/63/13/1055756313.db2.gz ZEJIIIDDMCSLGT-UHFFFAOYSA-N -1 3 315.131 4.250 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1Cl ZINC001566357385 1055765791 /nfs/dbraw/zinc/76/57/91/1055765791.db2.gz CUDZMBWPWOEAOU-UHFFFAOYSA-N -1 3 321.779 4.238 20 0 DIADHM CC[C@@H](CSc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001566669164 1055777929 /nfs/dbraw/zinc/77/79/29/1055777929.db2.gz BYQVTGSPXZNTLB-AWEZNQCLSA-N -1 3 315.438 4.001 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2nc(CC(C)(C)C)cs2)c1 ZINC001566951287 1055788761 /nfs/dbraw/zinc/78/87/61/1055788761.db2.gz RIAQFDCIHRZOOZ-UHFFFAOYSA-N -1 3 318.442 4.252 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1-c1ccccc1 ZINC001567235353 1055796257 /nfs/dbraw/zinc/79/62/57/1055796257.db2.gz XYSANSQJTJHEHC-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM C[C@@H](Cc1ccsc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001597208304 1055800579 /nfs/dbraw/zinc/80/05/79/1055800579.db2.gz SHRZRUGCCCFISZ-JTQLQIEISA-N -1 3 317.435 4.029 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c1 ZINC001567485944 1055804873 /nfs/dbraw/zinc/80/48/73/1055804873.db2.gz WVYVDSFDZWKKHI-UHFFFAOYSA-N -1 3 321.323 4.018 20 0 DIADHM Cn1ccc2cccc(NC(=O)c3cc4c(cc3[O-])CCCC4)c21 ZINC001567635318 1055810589 /nfs/dbraw/zinc/81/05/89/1055810589.db2.gz JGLFPACHMIEVOG-UHFFFAOYSA-N -1 3 320.392 4.015 20 0 DIADHM CCCC1CCC(NC(=O)c2cc(SC)ccc2[O-])CC1 ZINC001597506170 1055840166 /nfs/dbraw/zinc/84/01/66/1055840166.db2.gz SWHLPKCXQLFWAM-UHFFFAOYSA-N -1 3 307.459 4.203 20 0 DIADHM CCc1cccc(C(=O)N2Cc3cccc(C)c3CC2(C)C)c1[O-] ZINC001569449474 1055862654 /nfs/dbraw/zinc/86/26/54/1055862654.db2.gz HUFRFXUKJZOBAF-UHFFFAOYSA-N -1 3 323.436 4.240 20 0 DIADHM CC(C)(C)C(C)(C)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001569588119 1055865868 /nfs/dbraw/zinc/86/58/68/1055865868.db2.gz QKCGJMICKOYQMG-UHFFFAOYSA-N -1 3 305.443 4.409 20 0 DIADHM Cc1c(C(=O)Nc2c([O-])cccc2Cl)cnc2ccccc12 ZINC001569682208 1055869514 /nfs/dbraw/zinc/86/95/14/1055869514.db2.gz JTSQOKWNEBYCSH-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1 ZINC001569936448 1055878416 /nfs/dbraw/zinc/87/84/16/1055878416.db2.gz QBRXTNSUJJIGGG-QWHCGFSZSA-N -1 3 321.486 4.401 20 0 DIADHM O=C([N-]c1ccnc(F)c1F)c1c(Cl)cc(F)cc1Cl ZINC001539698048 1055886261 /nfs/dbraw/zinc/88/62/61/1055886261.db2.gz CQZNJUCMAFWGMS-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM Fc1cc(-c2ccccc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001239507863 1055917630 /nfs/dbraw/zinc/91/76/30/1055917630.db2.gz WSJJJBYYPXVGID-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1cc(-c2ccccc2-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001239507863 1055917641 /nfs/dbraw/zinc/91/76/41/1055917641.db2.gz WSJJJBYYPXVGID-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000065618422 1055954382 /nfs/dbraw/zinc/95/43/82/1055954382.db2.gz QKWYRQLGQYAOFI-ZDUSSCGKSA-N -1 3 307.393 4.035 20 0 DIADHM Cc1ccoc1C(=O)[N-]c1nc(-c2cccc(Cl)c2)ns1 ZINC000065813101 1055963217 /nfs/dbraw/zinc/96/32/17/1055963217.db2.gz ZVOYTXCOANJFQT-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC001540621437 1056051987 /nfs/dbraw/zinc/05/19/87/1056051987.db2.gz DFVRGDSUGGBEHK-SFHVURJKSA-N -1 3 309.409 4.104 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000111210514 1056055872 /nfs/dbraw/zinc/05/58/72/1056055872.db2.gz ITEUWORGZCJPSF-VXGBXAGGSA-N -1 3 322.191 4.441 20 0 DIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783227 1056070784 /nfs/dbraw/zinc/07/07/84/1056070784.db2.gz XHXSQMUDDQBSBP-ZUZCIYMTSA-N -1 3 316.228 4.241 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-c2ccccc2)cc1 ZINC001610899980 1056075780 /nfs/dbraw/zinc/07/57/80/1056075780.db2.gz OAWJJZZQALXPAL-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM C[C@H]1CCC[C@@H](CNC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001583401957 1056076762 /nfs/dbraw/zinc/07/67/62/1056076762.db2.gz MWVOXMOZVAAAAY-NWDGAFQWSA-N -1 3 303.427 4.163 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C(F)(F)F)s1 ZINC000671793993 1056077178 /nfs/dbraw/zinc/07/71/78/1056077178.db2.gz JWPRWPLGVUGGLN-UHFFFAOYSA-N -1 3 316.304 4.193 20 0 DIADHM CCc1ccc(C(=O)NCCc2ccc3ccccc3c2)c([O-])c1 ZINC001540815977 1056080990 /nfs/dbraw/zinc/08/09/90/1056080990.db2.gz JJZPMSCKOXDQQX-UHFFFAOYSA-N -1 3 319.404 4.080 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1 ZINC001540830344 1056083121 /nfs/dbraw/zinc/08/31/21/1056083121.db2.gz ADOSWPRPOOPVPJ-BJJXKVORSA-N -1 3 319.470 4.155 20 0 DIADHM Cc1cc2cc(NC(=O)c3cc4c(cc3[O-])CCCC4)ccc2[nH]1 ZINC001540905731 1056085145 /nfs/dbraw/zinc/08/51/45/1056085145.db2.gz QVQPTVNJUBOJBH-UHFFFAOYSA-N -1 3 320.392 4.313 20 0 DIADHM Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1[O-] ZINC001540926307 1056085661 /nfs/dbraw/zinc/08/56/61/1056085661.db2.gz AUMGXOSNRZVMFJ-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1ccc(F)c(F)c1F ZINC001611004738 1056092735 /nfs/dbraw/zinc/09/27/35/1056092735.db2.gz LAUWBFZPUVSVKF-UHFFFAOYSA-N -1 3 315.291 4.217 20 0 DIADHM O=C([N-]c1cscc1Cl)c1ocnc1-c1ccccc1 ZINC001611008086 1056093572 /nfs/dbraw/zinc/09/35/72/1056093572.db2.gz OQOAOWAJSLESDA-UHFFFAOYSA-N -1 3 304.758 4.309 20 0 DIADHM CCOc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1Cl ZINC001542071877 1056102496 /nfs/dbraw/zinc/10/24/96/1056102496.db2.gz BNHNGQGWKONULF-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 ZINC001542459116 1056125489 /nfs/dbraw/zinc/12/54/89/1056125489.db2.gz FEUTWQYVGBRMIF-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001611279103 1056135234 /nfs/dbraw/zinc/13/52/34/1056135234.db2.gz DKEKSKQEIDQVAC-KRWDZBQOSA-N -1 3 311.425 4.267 20 0 DIADHM Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001542631430 1056147363 /nfs/dbraw/zinc/14/73/63/1056147363.db2.gz YHOFMPQORILFCZ-GDBMZVCRSA-N -1 3 303.446 4.283 20 0 DIADHM CCCCOc1ccc(C(=O)NCC(C)(C)C(C)(C)C)c([O-])c1 ZINC001611389217 1056151816 /nfs/dbraw/zinc/15/18/16/1056151816.db2.gz XMVLMBQHHPROMJ-UHFFFAOYSA-N -1 3 321.461 4.373 20 0 DIADHM CC(C)C[C@@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001542754388 1056152123 /nfs/dbraw/zinc/15/21/23/1056152123.db2.gz JMIJCKFQHONMHJ-ZDUSSCGKSA-N -1 3 303.427 4.258 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2)c([O-])c1 ZINC001542848757 1056160187 /nfs/dbraw/zinc/16/01/87/1056160187.db2.gz INLPFUQBRAFZJL-UHFFFAOYSA-N -1 3 307.349 4.141 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc2ncccc2o1 ZINC001583765610 1056161904 /nfs/dbraw/zinc/16/19/04/1056161904.db2.gz RCXAFYLHIGINID-UHFFFAOYSA-N -1 3 308.671 4.012 20 0 DIADHM CCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)[n-]c(=O)c2c1 ZINC000060797464 1056200672 /nfs/dbraw/zinc/20/06/72/1056200672.db2.gz PCEWORHCZAJBPJ-UHFFFAOYSA-N -1 3 319.191 4.459 20 0 DIADHM CC(C)C1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001543484424 1056234507 /nfs/dbraw/zinc/23/45/07/1056234507.db2.gz MXPCAGYSVVVDFE-UHFFFAOYSA-N -1 3 303.427 4.115 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2C)c1 ZINC001543553095 1056250616 /nfs/dbraw/zinc/25/06/16/1056250616.db2.gz LZZLZXZGPWIDHV-HNNXBMFYSA-N -1 3 311.425 4.405 20 0 DIADHM CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC001543954640 1056332940 /nfs/dbraw/zinc/33/29/40/1056332940.db2.gz AGVFRVSXRPJVHC-UHFFFAOYSA-N -1 3 309.409 4.046 20 0 DIADHM CC[C@H]1CCC[C@@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001544057220 1056352826 /nfs/dbraw/zinc/35/28/26/1056352826.db2.gz KBIHBOORNXDQNK-WCQYABFASA-N -1 3 303.427 4.306 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCCC23CCCCC3)c([O-])c1 ZINC001584477687 1056353298 /nfs/dbraw/zinc/35/32/98/1056353298.db2.gz QOXNOZUSRRABQI-QGZVFWFLSA-N -1 3 301.430 4.187 20 0 DIADHM O=C(NC[C@H]1CC=CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001544221630 1056385769 /nfs/dbraw/zinc/38/57/69/1056385769.db2.gz SMWKFFXFNCCVIO-KRWDZBQOSA-N -1 3 321.420 4.069 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC001584769013 1056414670 /nfs/dbraw/zinc/41/46/70/1056414670.db2.gz IIAJGBIALKJHHR-UHFFFAOYSA-N -1 3 319.470 4.299 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc3ccc(C)nc32)c1[O-] ZINC001584775432 1056414942 /nfs/dbraw/zinc/41/49/42/1056414942.db2.gz PTIPAJXHGOAAPH-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM Cc1ccc2sc(S[C@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC001614980773 1056460934 /nfs/dbraw/zinc/46/09/34/1056460934.db2.gz FFGDVVIXFWGHMR-SNVBAGLBSA-N -1 3 317.439 4.262 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3ccc(C)cc3[O-])cc21 ZINC001544597780 1056463703 /nfs/dbraw/zinc/46/37/03/1056463703.db2.gz NFRWTVZOEHAPNN-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM CC[C@H](C)c1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC001585028786 1056467422 /nfs/dbraw/zinc/46/74/22/1056467422.db2.gz LXMUUOOYRJGZKV-LBPRGKRZSA-N -1 3 321.380 4.101 20 0 DIADHM CSc1ccc([O-])c(C(=O)NC2CCC(C3CCC3)CC2)c1 ZINC001585067878 1056478328 /nfs/dbraw/zinc/47/83/28/1056478328.db2.gz YBHOVTNSLXBYAO-UHFFFAOYSA-N -1 3 319.470 4.203 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(-c3ccccc3C)cs2)c([O-])c1 ZINC001585266080 1056518506 /nfs/dbraw/zinc/51/85/06/1056518506.db2.gz CDFIEWOMTWCMQD-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c([O-])c1C ZINC001544929508 1056529551 /nfs/dbraw/zinc/52/95/51/1056529551.db2.gz DMEVKYPFFWXPLH-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Nc1ccc(Cl)cc1Nc1cccc([O-])c1Br ZINC001212441152 1056538654 /nfs/dbraw/zinc/53/86/54/1056538654.db2.gz FLKOAPVDIZCGHC-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(-n3cccc3)ccc2F)c1[O-] ZINC001545018973 1056545581 /nfs/dbraw/zinc/54/55/81/1056545581.db2.gz GHGVKURXLBFEOY-UHFFFAOYSA-N -1 3 324.355 4.137 20 0 DIADHM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000007409031 1056579749 /nfs/dbraw/zinc/57/97/49/1056579749.db2.gz PTNNODFWQREWNQ-UHFFFAOYSA-N -1 3 317.454 4.338 20 0 DIADHM CCOC(=O)c1cc2cc(-c3ccc([O-])c(F)c3)ccc2o1 ZINC001240785916 1056698185 /nfs/dbraw/zinc/69/81/85/1056698185.db2.gz UGWPHDDQSPWQJR-UHFFFAOYSA-N -1 3 300.285 4.121 20 0 DIADHM [O-]c1ccc(-c2ccnc(OCc3ccccc3F)c2)cc1F ZINC001240790522 1056701503 /nfs/dbraw/zinc/70/15/03/1056701503.db2.gz NLLFKHWDUKPMMR-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C([O-])c1ccc(-c2ccc(CN3CCCCC3)c(F)c2)s1 ZINC001240849161 1056729596 /nfs/dbraw/zinc/72/95/96/1056729596.db2.gz OLQDAGREDCHOJF-UHFFFAOYSA-N -1 3 319.401 4.238 20 0 DIADHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C)cc2[O-])cc1 ZINC001586480188 1056746272 /nfs/dbraw/zinc/74/62/72/1056746272.db2.gz CIZKIZWMZGZFQL-GOSISDBHSA-N -1 3 309.409 4.376 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC001617057084 1056766690 /nfs/dbraw/zinc/76/66/90/1056766690.db2.gz GCNZDUDLWLBIMY-HZPDHXFCSA-N -1 3 303.446 4.289 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC001617057082 1056767281 /nfs/dbraw/zinc/76/72/81/1056767281.db2.gz GCNZDUDLWLBIMY-CVEARBPZSA-N -1 3 303.446 4.289 20 0 DIADHM CCCN(C)c1ccccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001586643886 1056772959 /nfs/dbraw/zinc/77/29/59/1056772959.db2.gz PYZZJGHZEJKVCL-UHFFFAOYSA-N -1 3 312.413 4.053 20 0 DIADHM [O-]c1c(F)cc(F)cc1Nc1ncc(C(F)(F)F)cc1Cl ZINC001212477628 1056775645 /nfs/dbraw/zinc/77/56/45/1056775645.db2.gz KGMZRVDMIONBMN-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1 ZINC001617132080 1056779800 /nfs/dbraw/zinc/77/98/00/1056779800.db2.gz OIQDWIAHKPLVNX-UHFFFAOYSA-N -1 3 323.436 4.455 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c1[O-] ZINC001586679387 1056781012 /nfs/dbraw/zinc/78/10/12/1056781012.db2.gz HDVGRXZQTUNYFY-UHFFFAOYSA-N -1 3 323.436 4.376 20 0 DIADHM COc1ccc(CCCCCC(=O)[N-]OC2CCCCC2)cc1 ZINC001617221796 1056796082 /nfs/dbraw/zinc/79/60/82/1056796082.db2.gz CNMUCIAJRBXRSR-UHFFFAOYSA-N -1 3 319.445 4.179 20 0 DIADHM CC(C)(C)c1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC001617222603 1056796714 /nfs/dbraw/zinc/79/67/14/1056796714.db2.gz MPFCNWPVLRLLTO-UHFFFAOYSA-N -1 3 303.446 4.297 20 0 DIADHM Cc1ccccc1-c1cc(Nc2cc(F)cc(F)c2[O-])n(C)n1 ZINC001212484297 1056802448 /nfs/dbraw/zinc/80/24/48/1056802448.db2.gz WDHUZKCXCJUICI-UHFFFAOYSA-N -1 3 315.323 4.123 20 0 DIADHM [O-]c1ccccc1-c1nc(C(F)(F)F)nc2c(F)cccc21 ZINC001241002303 1056807032 /nfs/dbraw/zinc/80/70/32/1056807032.db2.gz ZCGNTDZGLYSKIV-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1ccccc1-c1nccc2ccn(Cc3ccccc3)c21 ZINC001241008479 1056813267 /nfs/dbraw/zinc/81/32/67/1056813267.db2.gz HOCZFVITGNFRHW-UHFFFAOYSA-N -1 3 300.361 4.457 20 0 DIADHM COc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc32)c([O-])c1 ZINC001586913472 1056831596 /nfs/dbraw/zinc/83/15/96/1056831596.db2.gz IQZVKRUXUSJEDG-ZDUSSCGKSA-N -1 3 321.376 4.045 20 0 DIADHM CCc1nc2sc3c(c2c(-c2ccc(C)cc2[O-])n1)CCC3 ZINC001241036037 1056835131 /nfs/dbraw/zinc/83/51/31/1056835131.db2.gz MIKWXBFGBKZDMT-UHFFFAOYSA-N -1 3 310.422 4.423 20 0 DIADHM Cc1ccc(-c2cc(C(F)(F)F)ccc2F)cc1-c1nnn[n-]1 ZINC001241100438 1056893372 /nfs/dbraw/zinc/89/33/72/1056893372.db2.gz AEKVAETWFQNKIW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2cc(C(F)(F)F)ccc2F)cc1-c1nn[n-]n1 ZINC001241100438 1056893380 /nfs/dbraw/zinc/89/33/80/1056893380.db2.gz AEKVAETWFQNKIW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N(C1CC1)C1CCCCC1 ZINC000682473896 1056898237 /nfs/dbraw/zinc/89/82/37/1056898237.db2.gz LAWPSSATDNGRHC-UHFFFAOYSA-N -1 3 319.420 4.178 20 0 DIADHM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC001617949592 1056906737 /nfs/dbraw/zinc/90/67/37/1056906737.db2.gz AHIZUXRBDQNPMJ-GFCCVEGCSA-N -1 3 317.454 4.247 20 0 DIADHM CCc1ccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001618006489 1056914565 /nfs/dbraw/zinc/91/45/65/1056914565.db2.gz BZOGDMVUJIHGGX-UHFFFAOYSA-N -1 3 311.425 4.350 20 0 DIADHM CCc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001618071924 1056920066 /nfs/dbraw/zinc/92/00/66/1056920066.db2.gz WRWKEMZCILHQNK-UHFFFAOYSA-N -1 3 319.404 4.080 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(C(F)(F)F)c1F ZINC001241158793 1056934148 /nfs/dbraw/zinc/93/41/48/1056934148.db2.gz CQZISWXNIKZUMN-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(C(F)(F)F)c1F ZINC001241158793 1056934156 /nfs/dbraw/zinc/93/41/56/1056934156.db2.gz CQZISWXNIKZUMN-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC001618268798 1056941899 /nfs/dbraw/zinc/94/18/99/1056941899.db2.gz HSVINXOMLMLRKX-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccccc1-c1nc2c(ncnc2-c2cc([O-])cc(F)c2)o1 ZINC001241261832 1056984978 /nfs/dbraw/zinc/98/49/78/1056984978.db2.gz SDUFXMIWDMUGHK-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM [O-]c1cc(F)cc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1 ZINC001241272727 1056990885 /nfs/dbraw/zinc/99/08/85/1056990885.db2.gz XUPDRPPOXHZWHS-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM [O-]c1cc(F)cc(-c2ccnc(OCc3cccc(F)c3)c2)c1 ZINC001241280848 1056994768 /nfs/dbraw/zinc/99/47/68/1056994768.db2.gz VFYFCAPEGJNQOU-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(OCc3ccccc3F)nc2)c1 ZINC001241280906 1056994822 /nfs/dbraw/zinc/99/48/22/1056994822.db2.gz YHWQCZFEKABQPN-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC[C@H](C(=O)OC)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293928 1057001186 /nfs/dbraw/zinc/00/11/86/1057001186.db2.gz RHCDODYBOWNAFU-LBPRGKRZSA-N -1 3 306.308 4.004 20 0 DIADHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1-c1cnc(C)o1 ZINC001241295625 1057001987 /nfs/dbraw/zinc/00/19/87/1057001987.db2.gz XATLGNLOEPKHEJ-UHFFFAOYSA-N -1 3 317.291 4.309 20 0 DIADHM COc1ccc(OCc2ccccc2)c(-c2ccc(=S)[n-]n2)c1 ZINC001241323257 1057014142 /nfs/dbraw/zinc/01/41/42/1057014142.db2.gz GHKGTJMQTVQHOW-UHFFFAOYSA-N -1 3 324.405 4.020 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(OC2CCCC2)cc1 ZINC000674015890 1057180813 /nfs/dbraw/zinc/18/08/13/1057180813.db2.gz WWKRILGBSXFBRM-UHFFFAOYSA-N -1 3 315.344 4.105 20 0 DIADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1c(F)cccc1F ZINC001128630314 1057210831 /nfs/dbraw/zinc/21/08/31/1057210831.db2.gz KBZZATBCIADIRW-QMMMGPOBSA-N -1 3 312.699 4.242 20 0 DIADHM c1cn2cc(-c3ccc(-c4ccc5nn[n-]c5c4)cc3)nc2s1 ZINC001241941866 1057219950 /nfs/dbraw/zinc/21/99/50/1057219950.db2.gz OTDULJGKAZLHQE-UHFFFAOYSA-N -1 3 317.377 4.001 20 0 DIADHM CCOc1cc(Cl)ccc1NCc1c(F)ccc([O-])c1F ZINC000509228535 1057252997 /nfs/dbraw/zinc/25/29/97/1057252997.db2.gz VYRLNXUHLONEPU-UHFFFAOYSA-N -1 3 313.731 4.335 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C(F)(F)F)cc1C ZINC001242131996 1057274822 /nfs/dbraw/zinc/27/48/22/1057274822.db2.gz WVGHADKQEMGUIY-UHFFFAOYSA-N -1 3 318.302 4.169 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C(F)(F)F)cc1C ZINC001242131996 1057274828 /nfs/dbraw/zinc/27/48/28/1057274828.db2.gz WVGHADKQEMGUIY-UHFFFAOYSA-N -1 3 318.302 4.169 20 0 DIADHM C[C@@H]1C(=O)Nc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242157928 1057283113 /nfs/dbraw/zinc/28/31/13/1057283113.db2.gz OPBLZIKPNBPVQW-QMMMGPOBSA-N -1 3 307.271 4.134 20 0 DIADHM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cc(F)c1F ZINC001242157571 1057283338 /nfs/dbraw/zinc/28/33/38/1057283338.db2.gz JEXCAEJRBBCTIU-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM Cc1cc(Cl)c(OC(=O)c2cccc(Cl)c2[O-])cc1F ZINC001128827082 1057283566 /nfs/dbraw/zinc/28/35/66/1057283566.db2.gz JENBSOUUSAEODM-UHFFFAOYSA-N -1 3 315.127 4.366 20 0 DIADHM CCOC(=N)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242162350 1057284262 /nfs/dbraw/zinc/28/42/62/1057284262.db2.gz LWGLXOGRHHCBJZ-UHFFFAOYSA-N -1 3 309.287 4.440 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3nnco3)cc2)cc1C(F)(F)F ZINC001242162004 1057284591 /nfs/dbraw/zinc/28/45/91/1057284591.db2.gz ITJPJSYFIPREBG-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM [O-]c1ccc(-c2cc(F)c3nccnc3c2)cc1C(F)(F)F ZINC001242162773 1057285440 /nfs/dbraw/zinc/28/54/40/1057285440.db2.gz RQJBSALTXFZZMQ-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM COc1ccnc2cc(-c3ccc([O-])c(C(F)(F)F)c3)cnc21 ZINC001242167735 1057285931 /nfs/dbraw/zinc/28/59/31/1057285931.db2.gz CKZHGLFSRPHDCM-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM CC(=O)Nc1ccc(C)cc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242163051 1057286190 /nfs/dbraw/zinc/28/61/90/1057286190.db2.gz VQFCAAGQSFEYIC-UHFFFAOYSA-N -1 3 309.287 4.345 20 0 DIADHM COC(=O)c1cc2ccc(-c3ccc(F)cc3[O-])cc2s1 ZINC001242217600 1057296304 /nfs/dbraw/zinc/29/63/04/1057296304.db2.gz FYWZZCUDAAOHSL-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc2nnc(-c3cccc(F)c3)n2c1 ZINC001242219231 1057297466 /nfs/dbraw/zinc/29/74/66/1057297466.db2.gz OJTOQPARYVLKKY-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CCOC(=O)c1cc2c(ccc(-c3ccc(F)cc3[O-])c2C)o1 ZINC001242219604 1057297504 /nfs/dbraw/zinc/29/75/04/1057297504.db2.gz XCUXFQYYCCXIJQ-UHFFFAOYSA-N -1 3 314.312 4.430 20 0 DIADHM [O-]c1cc(F)ccc1-c1cnc(F)c(OCc2ccccc2)c1 ZINC001242220570 1057297565 /nfs/dbraw/zinc/29/75/65/1057297565.db2.gz FKMURQOPQXSOCT-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1C(F)(F)F ZINC001242219030 1057297754 /nfs/dbraw/zinc/29/77/54/1057297754.db2.gz VGQBCGFBQQGKNS-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM Cc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(F)cc1[O-] ZINC001242219103 1057297893 /nfs/dbraw/zinc/29/78/93/1057297893.db2.gz KEOOVSNIZGHXTD-UHFFFAOYSA-N -1 3 302.345 4.462 20 0 DIADHM COC(=O)C1(c2ccc(-c3cccc(F)c3[O-])cc2)CCCC1 ZINC001242352097 1057341936 /nfs/dbraw/zinc/34/19/36/1057341936.db2.gz MBQDQXHZIBDQMG-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3cccc(F)c3[O-])cc12 ZINC001242351379 1057342741 /nfs/dbraw/zinc/34/27/41/1057342741.db2.gz IKMMJKXWYXBXJV-UHFFFAOYSA-N 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[O-]c1cc(-c2cnc(F)c(OCc3ccccc3)c2)ccc1F ZINC001243049852 1057558404 /nfs/dbraw/zinc/55/84/04/1057558404.db2.gz AAWPLZQHQRUVAC-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(-c2cncc(-c3nc4ccccc4[nH]3)c2)ccc1F ZINC001243051974 1057558962 /nfs/dbraw/zinc/55/89/62/1057558962.db2.gz RGGGAWAUNNTDJK-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCCC[C@@H]12 ZINC000525930754 1057657107 /nfs/dbraw/zinc/65/71/07/1057657107.db2.gz VEVZSFGPDUPBNV-SKDZVZGDSA-N -1 3 309.409 4.196 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCCC[C@H]21 ZINC000525930753 1057657512 /nfs/dbraw/zinc/65/75/12/1057657512.db2.gz VEVZSFGPDUPBNV-RPVQJOFSSA-N -1 3 309.409 4.196 20 0 DIADHM FC(F)Oc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001243358554 1057658153 /nfs/dbraw/zinc/65/81/53/1057658153.db2.gz UPIKDXVBLWKQPE-UHFFFAOYSA-N -1 3 322.258 4.053 20 0 DIADHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527159640 1057660644 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FC(F)(F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001243983225 1057828786 /nfs/dbraw/zinc/82/87/86/1057828786.db2.gz MYWXCNWIRUVIDA-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001243983225 1057828788 /nfs/dbraw/zinc/82/87/88/1057828788.db2.gz MYWXCNWIRUVIDA-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000032645074 1057831166 /nfs/dbraw/zinc/83/11/66/1057831166.db2.gz VCBPBBIFPSFYKV-UHFFFAOYSA-N -1 3 320.392 4.078 20 0 DIADHM COc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C)c1C ZINC001243991231 1057831636 /nfs/dbraw/zinc/83/16/36/1057831636.db2.gz NMALTABETNHCOM-UHFFFAOYSA-N -1 3 314.332 4.077 20 0 DIADHM COC(=O)c1nc2cccc(-c3c([O-])cccc3Cl)c2s1 ZINC001244047846 1057848652 /nfs/dbraw/zinc/84/86/52/1057848652.db2.gz VCQKIGZWSWKWIT-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM Fc1ccc(-c2ccccc2-c2nnn[n-]2)cc1-c1ccccc1 ZINC001244089872 1057864990 /nfs/dbraw/zinc/86/49/90/1057864990.db2.gz 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COC(=O)c1c(F)cc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244536939 1057989387 /nfs/dbraw/zinc/98/93/87/1057989387.db2.gz CCMNPWYAQDVKNQ-UHFFFAOYSA-N -1 3 312.699 4.086 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)c(F)cc1F ZINC001244539253 1057989765 /nfs/dbraw/zinc/98/97/65/1057989765.db2.gz SEJXKXZUHMMWNN-UHFFFAOYSA-N -1 3 312.699 4.086 20 0 DIADHM CC(=O)O[C@@H]1Cc2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2C1 ZINC001244538090 1057989918 /nfs/dbraw/zinc/98/99/18/1057989918.db2.gz RBRFKGLXFHVYKU-MRXNPFEDSA-N -1 3 316.784 4.051 20 0 DIADHM CC(=O)N1CCCc2cc(-c3cc(C)c([O-])c(Cl)c3)ccc21 ZINC001244547458 1057992778 /nfs/dbraw/zinc/99/27/78/1057992778.db2.gz LYAFLHNTKNFIJD-UHFFFAOYSA-N -1 3 315.800 4.320 20 0 DIADHM Cc1cc(-c2ccc(C(=O)OC(C)(C)C)nc2)cc(Cl)c1[O-] ZINC001244546725 1057992882 /nfs/dbraw/zinc/99/28/82/1057992882.db2.gz HYDROEANLSWDCR-UHFFFAOYSA-N -1 3 319.788 4.371 20 0 DIADHM Cc1cc(-c2ccc(N3CCOCC3)c(C)c2)cc(Cl)c1[O-] ZINC001244547960 1057993122 /nfs/dbraw/zinc/99/31/22/1057993122.db2.gz 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ZINC001245079025 1058107562 /nfs/dbraw/zinc/10/75/62/1058107562.db2.gz KADWZHJAHQQMFI-UHFFFAOYSA-N -1 3 302.786 4.378 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245078883 1058107624 /nfs/dbraw/zinc/10/76/24/1058107624.db2.gz LXRPJCLFLSBJLU-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1ccc(-c2cncc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC001245079003 1058107664 /nfs/dbraw/zinc/10/76/64/1058107664.db2.gz JUXGQSAENMQOFB-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM [O-]c1ccc(-c2nccc(OCc3ccccc3)n2)c(Cl)c1 ZINC001245077613 1058107783 /nfs/dbraw/zinc/10/77/83/1058107783.db2.gz DSGOWPSMQNQKKC-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM COc1ccc(-c2nccc(-c3ccc([O-])cc3Cl)n2)cc1 ZINC001245079606 1058107815 /nfs/dbraw/zinc/10/78/15/1058107815.db2.gz RYTIVMJPNCEWSD-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM S=C1Cc2ccc(-c3ccnc(OCC4CCC4)c3)cc2[N-]1 ZINC001245241166 1058133432 /nfs/dbraw/zinc/13/34/32/1058133432.db2.gz ZFCMPTNOMBIOQW-UHFFFAOYSA-N -1 3 310.422 4.223 20 0 DIADHM Nc1ccc2cc(-c3cc(C(F)(F)F)[n-]c(=S)n3)ccc2c1 ZINC001245365753 1058153053 /nfs/dbraw/zinc/15/30/53/1058153053.db2.gz ADXGVIOFQRTTPS-UHFFFAOYSA-N -1 3 321.327 4.187 20 0 DIADHM CCC(CC)N(CC(C)C)C(=O)c1cc(SC)ccc1[O-] ZINC001545174117 1058186416 /nfs/dbraw/zinc/18/64/16/1058186416.db2.gz QGYDCHAOILIEGJ-UHFFFAOYSA-N -1 3 309.475 4.401 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC001545337912 1058194849 /nfs/dbraw/zinc/19/48/49/1058194849.db2.gz JQAKHXIMUFEQPS-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM Cc1ccc(NC(=S)N[C@H](C)c2ccccc2)c(Cl)c1[O-] ZINC001245519850 1058195515 /nfs/dbraw/zinc/19/55/15/1058195515.db2.gz UJNMRZJJHGVLEP-LLVKDONJSA-N -1 3 320.845 4.402 20 0 DIADHM Cc1ccc(F)cc1[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001527678436 1058206185 /nfs/dbraw/zinc/20/61/85/1058206185.db2.gz QMAAFJYATFDQCK-JTQLQIEISA-N -1 3 308.736 4.411 20 0 DIADHM CCC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001545511118 1058208586 /nfs/dbraw/zinc/20/85/86/1058208586.db2.gz XFVUSSDFCXWXCZ-LBPRGKRZSA-N 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O=C(NC1(C2CCC2)CC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001557333617 1058734552 /nfs/dbraw/zinc/73/45/52/1058734552.db2.gz WCWOAEGPTCYNJJ-UHFFFAOYSA-N -1 3 323.392 4.247 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC=CC12CCCCC2 ZINC001557703323 1058787178 /nfs/dbraw/zinc/78/71/78/1058787178.db2.gz UVNHFHSOCFUKHT-UHFFFAOYSA-N -1 3 313.422 4.322 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c1 ZINC001557743603 1058788404 /nfs/dbraw/zinc/78/84/04/1058788404.db2.gz BWGUHZBTFIZSEY-UHFFFAOYSA-N -1 3 323.392 4.391 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c1 ZINC001558479963 1058875244 /nfs/dbraw/zinc/87/52/44/1058875244.db2.gz XQJFLOQMDWPZHV-BEFAXECRSA-N -1 3 323.436 4.363 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c1 ZINC001558479968 1058875902 /nfs/dbraw/zinc/87/59/02/1058875902.db2.gz XQJFLOQMDWPZHV-HNAYVOBHSA-N -1 3 323.436 4.363 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c([O-])c1C ZINC001558938015 1058924873 /nfs/dbraw/zinc/92/48/73/1058924873.db2.gz 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CCn1c2ccccc2nc1-c1c([O-])cccc1Br ZINC001250844042 1061090924 /nfs/dbraw/zinc/09/09/24/1061090924.db2.gz RLQWGPWCVCKSEO-UHFFFAOYSA-N -1 3 317.186 4.191 20 0 DIADHM [O-]c1ccc(-c2nc3ccc(F)c(F)c3n2C2CC2)c(F)c1 ZINC001250846119 1061091283 /nfs/dbraw/zinc/09/12/83/1061091283.db2.gz PKFGAJYQKHMCAB-UHFFFAOYSA-N -1 3 304.271 4.161 20 0 DIADHM [O-]c1ccc(-c2nc3c(ccc4ncccc34)n2C2CC2)c(F)c1 ZINC001250845248 1061091998 /nfs/dbraw/zinc/09/19/98/1061091998.db2.gz AQHUOEZZMKBKFU-UHFFFAOYSA-N -1 3 319.339 4.431 20 0 DIADHM CN1CCCN(Cc2ccc([O-])c(F)c2)c2cc(Cl)ccc21 ZINC001462307587 1061092826 /nfs/dbraw/zinc/09/28/26/1061092826.db2.gz XSTWIPCVLPNXNP-UHFFFAOYSA-N -1 3 320.795 4.031 20 0 DIADHM CC(C)(C)n1c2ccc(F)cc2nc1-c1ccc([O-])cc1F ZINC001250845233 1061093171 /nfs/dbraw/zinc/09/31/71/1061093171.db2.gz AGOHCNZZLCFXFR-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM [O-]c1cnccc1-c1nc2ccc(F)cc2n1C1CCCCC1 ZINC001250858272 1061098051 /nfs/dbraw/zinc/09/80/51/1061098051.db2.gz STRCCZMQXUEHIU-UHFFFAOYSA-N -1 3 311.360 4.448 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)cc(Cl)c2F)on1 ZINC001462336150 1061113197 /nfs/dbraw/zinc/11/31/97/1061113197.db2.gz SQXGZAUXBCMCMU-UHFFFAOYSA-N -1 3 317.147 4.496 20 0 DIADHM FC(F)(F)c1cc2nc(-c3ncco3)[n-]c2cc1C(F)(F)F ZINC001250924538 1061127077 /nfs/dbraw/zinc/12/70/77/1061127077.db2.gz XESHOJBYLMPOET-UHFFFAOYSA-N -1 3 321.180 4.256 20 0 DIADHM [O-]c1ccc(CNC2(c3ccc(Cl)cc3)CC2)c(F)c1F ZINC001462371165 1061133826 /nfs/dbraw/zinc/13/38/26/1061133826.db2.gz YWSPMGDVOSQUAQ-UHFFFAOYSA-N -1 3 309.743 4.103 20 0 DIADHM C[C@@]1(c2cccc(F)c2)CCN(Cc2cccc([O-])c2Cl)C1 ZINC001462415580 1061160804 /nfs/dbraw/zinc/16/08/04/1061160804.db2.gz QICOOXZIOZDFNG-GOSISDBHSA-N -1 3 319.807 4.348 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(SC)ccc3[nH]2)cc1Cl ZINC001251082005 1061224486 /nfs/dbraw/zinc/22/44/86/1061224486.db2.gz BCTSMKNRHCSRTE-UHFFFAOYSA-N -1 3 320.801 4.319 20 0 DIADHM CCn1c2cc(C)ccc2nc1-c1cc(Cl)c(OC)cc1[O-] ZINC001251083156 1061228289 /nfs/dbraw/zinc/22/82/89/1061228289.db2.gz 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CSc1ccc2nc(-c3c([O-])ccc(F)c3Cl)[nH]c2c1 ZINC001251540440 1061397378 /nfs/dbraw/zinc/39/73/78/1061397378.db2.gz DOTZCCMRKJDTMJ-UHFFFAOYSA-N -1 3 308.765 4.450 20 0 DIADHM CSc1ccc2nc(-c3cc(F)c(Cl)cc3[O-])[nH]c2c1 ZINC001251681099 1061440764 /nfs/dbraw/zinc/44/07/64/1061440764.db2.gz NWLNLKITZMRBTQ-UHFFFAOYSA-N -1 3 308.765 4.450 20 0 DIADHM Cc1ccccc1[C@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C ZINC001457423701 1061453955 /nfs/dbraw/zinc/45/39/55/1061453955.db2.gz DIOLVGAMXXMILJ-NSHDSACASA-N -1 3 305.315 4.099 20 0 DIADHM CCc1ccc2nc(NC(=O)c3cccc(C)c3[O-])sc2c1 ZINC001457508711 1061465331 /nfs/dbraw/zinc/46/53/31/1061465331.db2.gz XKZBBERGPRSRNH-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CCCCC[C@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC001457682031 1061483622 /nfs/dbraw/zinc/48/36/22/1061483622.db2.gz BGBUCVLOILEJDU-ZDUSSCGKSA-N -1 3 318.421 4.164 20 0 DIADHM Cc1ccccc1CN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001463545345 1061497954 /nfs/dbraw/zinc/49/79/54/1061497954.db2.gz KTSZMMYSZGZEMO-UHFFFAOYSA-N -1 3 311.406 4.188 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1[O-] ZINC001463842791 1061524795 /nfs/dbraw/zinc/52/47/95/1061524795.db2.gz GYLHMRPTHPLJJD-UHFFFAOYSA-N -1 3 324.380 4.472 20 0 DIADHM CCc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c([O-])c1 ZINC001463939068 1061536653 /nfs/dbraw/zinc/53/66/53/1061536653.db2.gz VKHZWAUNOGVCGS-UHFFFAOYSA-N -1 3 323.436 4.411 20 0 DIADHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001464066450 1061550983 /nfs/dbraw/zinc/55/09/83/1061550983.db2.gz OCLCHSXPXWGJSM-VIFPVBQESA-N -1 3 324.273 4.096 20 0 DIADHM Cc1cc(C)c(CNC(=O)c2ccc(C(C)C)cc2[O-])c(C)c1 ZINC001464068472 1061552332 /nfs/dbraw/zinc/55/23/32/1061552332.db2.gz NGRCXYCVTFIZQI-UHFFFAOYSA-N -1 3 311.425 4.371 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252181210 1061605131 /nfs/dbraw/zinc/60/51/31/1061605131.db2.gz WQBFJPSTAPFJOL-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c1 ZINC001465143657 1061689413 /nfs/dbraw/zinc/68/94/13/1061689413.db2.gz RCBVZJRWXOPFTM-ZDUSSCGKSA-N -1 3 321.486 4.403 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2OC(C)(C)C)c([O-])c1 ZINC001465215611 1061715383 /nfs/dbraw/zinc/71/53/83/1061715383.db2.gz RSVYHQPSINHJHZ-UHFFFAOYSA-N -1 3 313.397 4.384 20 0 DIADHM COc1ccc([O-])c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 ZINC001252803763 1061727838 /nfs/dbraw/zinc/72/78/38/1061727838.db2.gz SIIWPTQFOVUXHL-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM CCC(CC)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001465324855 1061733955 /nfs/dbraw/zinc/73/39/55/1061733955.db2.gz JLZPXRCYTXPOAO-SFHVURJKSA-N -1 3 313.397 4.005 20 0 DIADHM CCc1cccc(C(=O)NC(C)(C)c2cccc(Cl)c2)c1[O-] ZINC001465337441 1061736869 /nfs/dbraw/zinc/73/68/69/1061736869.db2.gz CRTOHYHUJMBLSB-UHFFFAOYSA-N -1 3 317.816 4.273 20 0 DIADHM CCc1ccc(-c2nnc(-c3ccc([O-])c4ncccc34)o2)cc1 ZINC001252962990 1061765042 /nfs/dbraw/zinc/76/50/42/1061765042.db2.gz XFJBWHGQZNRSOD-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CCC(CC)(CNC(=O)c1c(C)cccc1[O-])c1ccccc1 ZINC001465526467 1061770160 /nfs/dbraw/zinc/77/01/60/1061770160.db2.gz CYRWADLFDZVECL-UHFFFAOYSA-N -1 3 311.425 4.188 20 0 DIADHM C[C@@H](c1ccccc1)n1cc([N-]c2nc3ccccc3o2)cn1 ZINC001458452988 1061771459 /nfs/dbraw/zinc/77/14/59/1061771459.db2.gz MUWXKADDIWWBBG-ZDUSSCGKSA-N -1 3 304.353 4.377 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c1 ZINC001465598218 1061785270 /nfs/dbraw/zinc/78/52/70/1061785270.db2.gz MEZPCHPSLWJIHN-OLZOCXBDSA-N -1 3 315.438 4.036 20 0 DIADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001465949569 1061850257 /nfs/dbraw/zinc/85/02/57/1061850257.db2.gz PDRYMCRVYSYWLD-IUODEOHRSA-N -1 3 307.459 4.155 20 0 DIADHM O=C(CCc1cccc2ccccc21)Nc1cccc([O-])c1F ZINC001466118822 1061879652 /nfs/dbraw/zinc/87/96/52/1061879652.db2.gz QBVQQKFRJOFFEK-UHFFFAOYSA-N -1 3 309.340 4.256 20 0 DIADHM Cc1cccc(C)c1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001466299345 1061915263 /nfs/dbraw/zinc/91/52/63/1061915263.db2.gz CGJJQFDEMAIWHM-UHFFFAOYSA-N -1 3 305.377 4.092 20 0 DIADHM CC(C)(C)c1ccc(-c2nnc(Cc3ccccc3)o2)c([O-])c1 ZINC001253588245 1061933578 /nfs/dbraw/zinc/93/35/78/1061933578.db2.gz FPEZSLZTFGYMKW-UHFFFAOYSA-N -1 3 308.381 4.331 20 0 DIADHM [O-]c1ccc(-c2nnc(Cc3ccccc3)o2)c(C(F)(F)F)c1 ZINC001253588488 1061935506 /nfs/dbraw/zinc/93/55/06/1061935506.db2.gz JOFQGTOJMRBIOT-UHFFFAOYSA-N -1 3 320.270 4.052 20 0 DIADHM Cc1cccc(-c2nnc(-c3cc(O)c4ccccc4c3[O-])o2)c1 ZINC001253620678 1061940614 /nfs/dbraw/zinc/94/06/14/1061940614.db2.gz JXQKSABHEPDQMH-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CCc1cc2c(CSC(CC)CC)cc(=O)oc2cc1[O-] ZINC001458942195 1061951403 /nfs/dbraw/zinc/95/14/03/1061951403.db2.gz COPQEEDRKJDQFU-UHFFFAOYSA-N -1 3 306.427 4.483 20 0 DIADHM CCCCCC(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466541976 1061957942 /nfs/dbraw/zinc/95/79/42/1061957942.db2.gz KPMSFNPFSDUVIQ-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM CCn1c(C(=O)Nc2ccc(Cl)cc2[O-])cc2ccccc21 ZINC001466629656 1061976503 /nfs/dbraw/zinc/97/65/03/1061976503.db2.gz RKLXLXGGCPLJCY-UHFFFAOYSA-N -1 3 314.772 4.273 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC001466629448 1061978370 /nfs/dbraw/zinc/97/83/70/1061978370.db2.gz HMTWORDBLDJBBU-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c([O-])c1 ZINC001466720297 1061992811 /nfs/dbraw/zinc/99/28/11/1061992811.db2.gz YXZXCYBFNHXLJL-AWEZNQCLSA-N -1 3 309.409 4.070 20 0 DIADHM C[C@H]1C[C@H](CC(=O)[N-]OCc2ccc(F)cc2)CC(C)(C)C1 ZINC001466782020 1062004814 /nfs/dbraw/zinc/00/48/14/1062004814.db2.gz QPOOUOOMDQFSJB-DZGCQCFKSA-N -1 3 307.409 4.226 20 0 DIADHM CC(C)=CCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001466860627 1062016216 /nfs/dbraw/zinc/01/62/16/1062016216.db2.gz NBDKNNQKJLNDEB-UHFFFAOYSA-N -1 3 309.409 4.069 20 0 DIADHM [O-]c1ccc(-c2ccc(F)cc2F)cc1-c1nnc(C2CC2)o1 ZINC001254049368 1062017303 /nfs/dbraw/zinc/01/73/03/1062017303.db2.gz XNBXOUVAIVCALO-UHFFFAOYSA-N -1 3 314.291 4.265 20 0 DIADHM Cc1c([O-])cc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1F ZINC001254317316 1062074518 /nfs/dbraw/zinc/07/45/18/1062074518.db2.gz DONNRBNFZDEFSL-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1c([O-])cc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1F ZINC001254484883 1062129423 /nfs/dbraw/zinc/12/94/23/1062129423.db2.gz CHLFTEAEKLUUOX-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(C)C ZINC001254611620 1062198190 /nfs/dbraw/zinc/19/81/90/1062198190.db2.gz RNPVCONFKURXPE-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)c1 ZINC001254793581 1062247413 /nfs/dbraw/zinc/24/74/13/1062247413.db2.gz FOFBYPYCASTELW-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM CC(=O)c1cc(-c2nnc(-c3ccc(C(C)C)cc3)o2)ccc1[O-] ZINC001254824786 1062256049 /nfs/dbraw/zinc/25/60/49/1062256049.db2.gz YNSBQPAIRGSDGC-UHFFFAOYSA-N -1 3 322.364 4.435 20 0 DIADHM Cc1cc([O-])c(-c2nnc(-c3ccc(C(C)C)cc3)o2)c(O)c1 ZINC001254891947 1062275973 /nfs/dbraw/zinc/27/59/73/1062275973.db2.gz ALQNRVDKXCIFHD-UHFFFAOYSA-N -1 3 310.353 4.247 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)C1CCC=CCC1 ZINC001468427859 1062320342 /nfs/dbraw/zinc/32/03/42/1062320342.db2.gz CLKNRJTWOGZRCM-UHFFFAOYSA-N -1 3 324.218 4.148 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001468496318 1062332759 /nfs/dbraw/zinc/33/27/59/1062332759.db2.gz DHGUUGNZHRJLEE-HNNXBMFYSA-N -1 3 321.436 4.413 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC001468499187 1062333173 /nfs/dbraw/zinc/33/31/73/1062333173.db2.gz XWGAZPGMTRRFIE-CYBMUJFWSA-N -1 3 319.445 4.059 20 0 DIADHM CC(C)[C@@H](NCc1ccc([O-])c(F)c1F)c1ccccc1F ZINC001474619568 1062342277 /nfs/dbraw/zinc/34/22/77/1062342277.db2.gz YNGFBDDPUNTZCP-QGZVFWFLSA-N -1 3 309.331 4.296 20 0 DIADHM C[C@]1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC=CCC1 ZINC001468905673 1062428207 /nfs/dbraw/zinc/42/82/07/1062428207.db2.gz AHXNCQYPDJYIJQ-NRFANRHFSA-N -1 3 321.420 4.212 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)c([O-])c1 ZINC001469008132 1062458728 /nfs/dbraw/zinc/45/87/28/1062458728.db2.gz MIFAPIDORITUKP-HZPDHXFCSA-N -1 3 301.430 4.072 20 0 DIADHM CCc1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC001474760001 1062466851 /nfs/dbraw/zinc/46/68/51/1062466851.db2.gz DVXAKKBBOWUPJQ-UHFFFAOYSA-N -1 3 301.817 4.166 20 0 DIADHM CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1F ZINC001469648754 1062598819 /nfs/dbraw/zinc/59/88/19/1062598819.db2.gz QYILZEZXCVAETA-OAHLLOKOSA-N -1 3 307.752 4.066 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC001469735236 1062615529 /nfs/dbraw/zinc/61/55/29/1062615529.db2.gz XUOYCXWKESROEA-FAYHIZQSSA-N -1 3 315.457 4.460 20 0 DIADHM CC1(c2ccccc2)CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001470384656 1062768036 /nfs/dbraw/zinc/76/80/36/1062768036.db2.gz MVOUYWRZXBVLPR-UHFFFAOYSA-N -1 3 323.417 4.021 20 0 DIADHM C[C@@H]1c2sccc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001471633522 1063009243 /nfs/dbraw/zinc/00/92/43/1063009243.db2.gz JPMGDSFLANMROB-GFCCVEGCSA-N -1 3 323.417 4.366 20 0 DIADHM C[C@H]1c2sccc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001471633523 1063011175 /nfs/dbraw/zinc/01/11/75/1063011175.db2.gz JPMGDSFLANMROB-LBPRGKRZSA-N -1 3 323.417 4.366 20 0 DIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC001256954552 1063057990 /nfs/dbraw/zinc/05/79/90/1063057990.db2.gz WESJXSWHFFKCQR-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM CC(C)c1cncc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001472196115 1063059317 /nfs/dbraw/zinc/05/93/17/1063059317.db2.gz PBQMCNLMUSNURB-UHFFFAOYSA-N -1 3 310.397 4.042 20 0 DIADHM CCCCOc1ccc(C(=O)N(C)C[C@H](C)C(C)(C)C)c([O-])c1 ZINC001472616411 1063109452 /nfs/dbraw/zinc/10/94/52/1063109452.db2.gz SJIMACFGYMTFAX-AWEZNQCLSA-N -1 3 321.461 4.325 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001257322840 1063203674 /nfs/dbraw/zinc/20/36/74/1063203674.db2.gz BEUPEKALEXUNRE-LSDHHAIUSA-N -1 3 306.365 4.330 20 0 DIADHM [O-]c1cc(F)c(CCNc2nc3cccc(F)c3s2)c(F)c1 ZINC001472886867 1063301579 /nfs/dbraw/zinc/30/15/79/1063301579.db2.gz 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/nfs/dbraw/zinc/54/37/51/1063543751.db2.gz LJDLYJBGDPDGST-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM Cc1ccc(-c2nnc(-c3ccc([O-])c4ncccc34)o2)cc1F ZINC001258737704 1063786796 /nfs/dbraw/zinc/78/67/96/1063786796.db2.gz SDJPDOZUCZFODF-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2o1 ZINC001259101182 1063882740 /nfs/dbraw/zinc/88/27/40/1063882740.db2.gz UKFZGPKDDCIJAB-UHFFFAOYSA-N -1 3 315.394 4.159 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)cc1C ZINC001259168223 1063884588 /nfs/dbraw/zinc/88/45/88/1063884588.db2.gz WHUZZGOAGDIBLZ-UHFFFAOYSA-N -1 3 315.438 4.290 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)cc1C ZINC001259167002 1063884771 /nfs/dbraw/zinc/88/47/71/1063884771.db2.gz OQHUBVSXZAAFGX-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM O=S(=O)(CC1CCCCC1)[N-]c1ccccc1-c1ccco1 ZINC001259620697 1063891904 /nfs/dbraw/zinc/89/19/04/1063891904.db2.gz YQUGMOGXJKYYIW-UHFFFAOYSA-N -1 3 319.426 4.269 20 0 DIADHM CC(C)CS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC001259884841 1063896300 /nfs/dbraw/zinc/89/63/00/1063896300.db2.gz PLCJVBMPNORDNV-UHFFFAOYSA-N -1 3 321.467 4.236 20 0 DIADHM CC[C@H](C)S(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001260741076 1063904344 /nfs/dbraw/zinc/90/43/44/1063904344.db2.gz XMBCMPSEFJAOLK-AWEZNQCLSA-N -1 3 319.426 4.328 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)ccc2C)ccc1F ZINC001260760416 1063907018 /nfs/dbraw/zinc/90/70/18/1063907018.db2.gz IOOUGZOLOKRDFM-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM CCc1cc([N-]S(=O)(=O)c2cccc(C)c2C)c(C)cc1C ZINC001261000188 1063907962 /nfs/dbraw/zinc/90/79/62/1063907962.db2.gz SNGZMHZAQCXQGH-UHFFFAOYSA-N -1 3 317.454 4.283 20 0 DIADHM Cc1ccccc1[C@@H](CC(C)C)[N-]C(=O)C(F)(F)C(F)F ZINC001265136429 1064196068 /nfs/dbraw/zinc/19/60/68/1064196068.db2.gz MIDNNVODKKLQPV-GFCCVEGCSA-N -1 3 305.315 4.099 20 0 DIADHM CC(C)c1ncc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)s1 ZINC001288032059 1064506205 /nfs/dbraw/zinc/50/62/05/1064506205.db2.gz VZNUWPJGFMXMQP-UHFFFAOYSA-N -1 3 318.295 4.075 20 0 DIADHM CC(=O)c1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1[O-] ZINC001290735495 1064709184 /nfs/dbraw/zinc/70/91/84/1064709184.db2.gz LOQSYNRSMWTWEP-UHFFFAOYSA-N -1 3 319.445 4.129 20 0 DIADHM CCN(Cc1ccccc1F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001290757708 1064710120 /nfs/dbraw/zinc/71/01/20/1064710120.db2.gz ROUUZXKUAIZVFP-UHFFFAOYSA-N -1 3 315.388 4.317 20 0 DIADHM O=C(Nc1ccc(F)c(F)c1F)c1cc2sccc2c([O-])c1 ZINC001291892166 1064749612 /nfs/dbraw/zinc/74/96/12/1064749612.db2.gz WBKJLPDTHBLQLW-UHFFFAOYSA-N -1 3 323.295 4.277 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c([O-])c1 ZINC001292325911 1064768346 /nfs/dbraw/zinc/76/83/46/1064768346.db2.gz NIADXBKQCOBGNZ-INIZCTEOSA-N -1 3 301.430 4.276 20 0 DIADHM Cc1cc([C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c(C)o1 ZINC001292348364 1064770032 /nfs/dbraw/zinc/77/00/32/1064770032.db2.gz NUPXHMYWRCIBFP-LBPRGKRZSA-N -1 3 301.386 4.216 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001292406390 1064773707 /nfs/dbraw/zinc/77/37/07/1064773707.db2.gz 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CCc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c([O-])c1 ZINC001294441467 1064868418 /nfs/dbraw/zinc/86/84/18/1064868418.db2.gz SBWWTEQSTJNWHJ-YJBOKZPZSA-N -1 3 323.436 4.048 20 0 DIADHM CC(C)C[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001294957387 1064891829 /nfs/dbraw/zinc/89/18/29/1064891829.db2.gz ANTNRQHVQKYRTI-HNNXBMFYSA-N -1 3 311.425 4.444 20 0 DIADHM COc1ccc(OC)c2sc(Sc3ccccc3[O-])nc21 ZINC001307183149 1064900201 /nfs/dbraw/zinc/90/02/01/1064900201.db2.gz WILWVTNXBWJZAY-UHFFFAOYSA-N -1 3 319.407 4.170 20 0 DIADHM Cc1cccc2c(C(=O)Nc3cc(Cl)ccc3[O-])coc21 ZINC001295350257 1064908191 /nfs/dbraw/zinc/90/81/91/1064908191.db2.gz BMSJFUMSANUAEB-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(C)c(F)c1 ZINC001295804034 1064928530 /nfs/dbraw/zinc/92/85/30/1064928530.db2.gz ONIDSRULHMPLSV-INIZCTEOSA-N -1 3 301.361 4.029 20 0 DIADHM O=C(/C=C/C1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC001295978229 1064931943 /nfs/dbraw/zinc/93/19/43/1064931943.db2.gz 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1065007415 /nfs/dbraw/zinc/00/74/15/1065007415.db2.gz QDZQNMRQMJTVIS-OHMLCJAVSA-N -1 3 324.218 4.148 20 0 DIADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC001298550190 1065009343 /nfs/dbraw/zinc/00/93/43/1065009343.db2.gz GZBSXRFIOXGXJZ-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001298607595 1065010951 /nfs/dbraw/zinc/01/09/51/1065010951.db2.gz YJGDVHXRWWJZQA-OAHLLOKOSA-N -1 3 319.445 4.035 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001299833362 1065035031 /nfs/dbraw/zinc/03/50/31/1065035031.db2.gz RMDGBBCJOKPKPL-RBUKOAKNSA-N -1 3 317.388 4.140 20 0 DIADHM CC(C)c1ccc(C(=O)NCC(C)(C)CC(F)(F)F)c([O-])c1 ZINC001301333326 1065061762 /nfs/dbraw/zinc/06/17/62/1065061762.db2.gz UCFWQONBCSNBKX-UHFFFAOYSA-N -1 3 317.351 4.224 20 0 DIADHM COc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c2ccccc12 ZINC001302073690 1065079224 /nfs/dbraw/zinc/07/92/24/1065079224.db2.gz MVEBQQRKPKYOAK-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@]2(C)C2CCCCC2)c1[O-] ZINC001302916605 1065101594 /nfs/dbraw/zinc/10/15/94/1065101594.db2.gz PXDKICKKIUXFBD-IBGZPJMESA-N -1 3 301.430 4.140 20 0 DIADHM O=C(NC1CCC=CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001303756889 1065122448 /nfs/dbraw/zinc/12/24/48/1065122448.db2.gz UWFJDBRTZYNGNC-UHFFFAOYSA-N -1 3 321.420 4.212 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@H](C)C[C@H](C)CC)c([O-])c1 ZINC001306653059 1065187919 /nfs/dbraw/zinc/18/79/19/1065187919.db2.gz XXVDNFYRTDHHBT-ZIAGYGMSSA-N -1 3 307.434 4.126 20 0 DIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417525726 334953263 /nfs/dbraw/zinc/95/32/63/334953263.db2.gz BKUFHDKTBFHNLW-DTWKUNHWSA-N -1 3 324.273 4.424 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C ZINC000006317157 181329197 /nfs/dbraw/zinc/32/91/97/181329197.db2.gz CRVIJBMBNLWJFN-UHFFFAOYSA-N -1 3 317.454 4.338 20 0 DIADHM C[C@H](CNCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000417583947 334997172 /nfs/dbraw/zinc/99/71/72/334997172.db2.gz 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ZINC000320541724 335080969 /nfs/dbraw/zinc/08/09/69/335080969.db2.gz DMWVTHNPNWGOFF-UHFFFAOYSA-N -1 3 306.365 4.221 20 0 DIADHM C[C@@H]1CCN(C(=O)Cc2coc3ccccc23)c2c([O-])cccc21 ZINC000580341019 335090401 /nfs/dbraw/zinc/09/04/01/335090401.db2.gz KLURQZGRVMFWQA-CYBMUJFWSA-N -1 3 321.376 4.221 20 0 DIADHM O=C(CS[C@@H]1CCCc2ccccc21)Nc1ccccc1[O-] ZINC000180700003 331576012 /nfs/dbraw/zinc/57/60/12/331576012.db2.gz NKWFDGWTMUNUGI-QGZVFWFLSA-N -1 3 313.422 4.142 20 0 DIADHM Cc1ccsc1CCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000533617362 331607918 /nfs/dbraw/zinc/60/79/18/331607918.db2.gz RYFAHWXFKDBOGF-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM CCOc1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000530874806 331632030 /nfs/dbraw/zinc/63/20/30/331632030.db2.gz CMCCMZZPJKRVNT-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM [O-]c1cc(F)cc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000556429836 331703578 /nfs/dbraw/zinc/70/35/78/331703578.db2.gz LUGZARGEIRDOHF-UHFFFAOYSA-N -1 3 315.388 4.143 20 0 DIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1c(Cl)cccc1Cl ZINC000087678815 331764532 /nfs/dbraw/zinc/76/45/32/331764532.db2.gz NPCCNFGCJDAFBD-WDEREUQCSA-N -1 3 318.244 4.363 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000087678260 331765086 /nfs/dbraw/zinc/76/50/86/331765086.db2.gz IPSIBRVRGJHVDI-GHMZBOCLSA-N -1 3 318.244 4.363 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2cnc(C3CC3)s2)s1 ZINC000517826529 331972085 /nfs/dbraw/zinc/97/20/85/331972085.db2.gz CEZGRMIEZWCWSU-UHFFFAOYSA-N -1 3 322.459 4.028 20 0 DIADHM CCSc1ccc(Cl)cc1C(=O)Nc1ccccc1[O-] ZINC000084382833 332001762 /nfs/dbraw/zinc/00/17/62/332001762.db2.gz UBIYEDZECANPAJ-UHFFFAOYSA-N -1 3 307.802 4.410 20 0 DIADHM COc1cccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000518451464 332048516 /nfs/dbraw/zinc/04/85/16/332048516.db2.gz KMEPAEFSNUUOSW-UHFFFAOYSA-N -1 3 306.774 4.144 20 0 DIADHM COc1ccc([O-])c(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c1 ZINC000410071589 332086148 /nfs/dbraw/zinc/08/61/48/332086148.db2.gz UDTTXYKHTBCSLA-UHFFFAOYSA-N -1 3 319.445 4.078 20 0 DIADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1F ZINC000426801406 332155177 /nfs/dbraw/zinc/15/51/77/332155177.db2.gz UKNDYXXZPGDGGX-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1ccsc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426805571 332155625 /nfs/dbraw/zinc/15/56/25/332155625.db2.gz CQHWXVFULSZMNO-MRXNPFEDSA-N -1 3 317.454 4.486 20 0 DIADHM Cc1ccc(F)cc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426821212 332157544 /nfs/dbraw/zinc/15/75/44/332157544.db2.gz QXECQKXLHROPCK-MRXNPFEDSA-N -1 3 321.779 4.093 20 0 DIADHM CCC[C@@H](C)C[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426823566 332157990 /nfs/dbraw/zinc/15/79/90/332157990.db2.gz JKEUYUZFYLCTCD-RISCZKNCSA-N -1 3 323.820 4.455 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000573618745 332250692 /nfs/dbraw/zinc/25/06/92/332250692.db2.gz JNYKKRNMYGSXNK-HFBDOXOYSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000573618748 332251247 /nfs/dbraw/zinc/25/12/47/332251247.db2.gz JNYKKRNMYGSXNK-IQMDTDKHSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000564660220 332261171 /nfs/dbraw/zinc/26/11/71/332261171.db2.gz CSTHRBOBAOXKMI-CVEARBPZSA-N -1 3 301.411 4.019 20 0 DIADHM CCOc1c(F)cccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531113084 332310682 /nfs/dbraw/zinc/31/06/82/332310682.db2.gz RYVUMQHYTXLMGH-UHFFFAOYSA-N -1 3 323.751 4.144 20 0 DIADHM CSCCCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000531112743 332310708 /nfs/dbraw/zinc/31/07/08/332310708.db2.gz IHONWMDJBIXRST-UHFFFAOYSA-N -1 3 315.438 4.065 20 0 DIADHM CCc1c2ccccc2oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000448767177 332350474 /nfs/dbraw/zinc/35/04/74/332350474.db2.gz JAZXYYYQXRLZLU-UHFFFAOYSA-N -1 3 315.398 4.222 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2sccc2Cl)c1[O-] ZINC000560613464 332368431 /nfs/dbraw/zinc/36/84/31/332368431.db2.gz HLGSPMHJYSXZJA-UHFFFAOYSA-N -1 3 302.182 4.321 20 0 DIADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000566359606 332377158 /nfs/dbraw/zinc/37/71/58/332377158.db2.gz KENAKHMMFMNEOG-RULNRJAQSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000566360442 332378104 /nfs/dbraw/zinc/37/81/04/332378104.db2.gz ZKXKLYPTJDHAKN-TVQRCGJNSA-N -1 3 316.228 4.240 20 0 DIADHM C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566367380 332382097 /nfs/dbraw/zinc/38/20/97/332382097.db2.gz OVLRDXFTUJFYCQ-HFBDOXOYSA-N -1 3 316.228 4.097 20 0 DIADHM CC(C)COc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000560820237 332388598 /nfs/dbraw/zinc/38/85/98/332388598.db2.gz NUBKITMMYBVHKX-UHFFFAOYSA-N -1 3 319.788 4.333 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000103340771 332968714 /nfs/dbraw/zinc/96/87/14/332968714.db2.gz NINMPHKLMYLLAI-JTQLQIEISA-N -1 3 311.212 4.253 20 0 DIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000180742462 333028347 /nfs/dbraw/zinc/02/83/47/333028347.db2.gz BLFHZVLWDPYYAC-UHFFFAOYSA-N -1 3 315.369 4.088 20 0 DIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460424688 333084349 /nfs/dbraw/zinc/08/43/49/333084349.db2.gz KSWOEXHRILRMGJ-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccccc3C(F)(F)F)n2)cc1 ZINC000314070037 333085650 /nfs/dbraw/zinc/08/56/50/333085650.db2.gz SVBXMIJKDMNXJL-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000314094516 333087053 /nfs/dbraw/zinc/08/70/53/333087053.db2.gz YDIBBIAHBBLCNP-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM Cc1ccc([C@@H](NC(=O)c2cccc([O-])c2)c2ccccc2)cc1 ZINC000497539599 333260894 /nfs/dbraw/zinc/26/08/94/333260894.db2.gz PTPAXLZUDVMXHZ-FQEVSTJZSA-N -1 3 317.388 4.220 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000020432786 333322573 /nfs/dbraw/zinc/32/25/73/333322573.db2.gz VQEPSTDVTVSJQL-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2scnc2C(C)(C)C)c1[O-] ZINC000531351596 333345722 /nfs/dbraw/zinc/34/57/22/333345722.db2.gz UZASMTUQHNAYOH-UHFFFAOYSA-N -1 3 324.833 4.360 20 0 DIADHM COc1ccc([C@H](C)CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000531419039 333350837 /nfs/dbraw/zinc/35/08/37/333350837.db2.gz KXQNPXSBKXEJGB-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2C)c1[O-] ZINC000531437661 333353170 /nfs/dbraw/zinc/35/31/70/333353170.db2.gz HYTSUPBMIUYLGJ-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM O=C(Nc1cccc(Cl)c1)c1cc([O-])ccc1C(F)(F)F ZINC000188393042 333365414 /nfs/dbraw/zinc/36/54/14/333365414.db2.gz IXZYEYHOASNOJJ-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185916763 333371697 /nfs/dbraw/zinc/37/16/97/333371697.db2.gz DGKZXIOMVLGIEG-UHFFFAOYSA-N -1 3 315.800 4.065 20 0 DIADHM O=C([O-])c1ccccc1CCNCc1ccc(Cl)cc1Cl ZINC000228492560 333387216 /nfs/dbraw/zinc/38/72/16/333387216.db2.gz XLCMJJMFKVHCAJ-UHFFFAOYSA-N -1 3 324.207 4.024 20 0 DIADHM Cc1nc(NC(=O)c2cccc([O-])c2)ccc1-c1ccccc1 ZINC000426734803 333533015 /nfs/dbraw/zinc/53/30/15/333533015.db2.gz RCMIOCGEUQZEGD-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM C[C@@H]1CC(C)(C)CN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000412767916 333795930 /nfs/dbraw/zinc/79/59/30/333795930.db2.gz PNDGRXLJGSFUSX-CQSZACIVSA-N -1 3 311.425 4.125 20 0 DIADHM CSCCCSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000413009905 333826165 /nfs/dbraw/zinc/82/61/65/333826165.db2.gz SKWNFDOZUHOBHY-UHFFFAOYSA-N -1 3 320.439 4.068 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CC(C)(C)C)nc2)n1 ZINC000413350019 333844244 /nfs/dbraw/zinc/84/42/44/333844244.db2.gz IPOJXGMXRIYHGV-LBPRGKRZSA-N -1 3 314.433 4.043 20 0 DIADHM CCc1ccc(C(=O)N(Cc2cccs2)C(C)C)c([O-])c1 ZINC000436805765 334000818 /nfs/dbraw/zinc/00/08/18/334000818.db2.gz FMRDNQRJJBWCES-UHFFFAOYSA-N -1 3 303.427 4.067 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3cc(F)c(F)c(F)c3)n2)cc1 ZINC000436872685 334013931 /nfs/dbraw/zinc/01/39/31/334013931.db2.gz UWRGPAMCDFCGQL-LZCJLJQNSA-N -1 3 318.254 4.030 20 0 DIADHM C[C@@H]1CCCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571648663 334017072 /nfs/dbraw/zinc/01/70/72/334017072.db2.gz AQPRPAQQYYIBRF-YGRLFVJLSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000571648661 334017201 /nfs/dbraw/zinc/01/72/01/334017201.db2.gz AQPRPAQQYYIBRF-IINYFYTJSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1nc2ccc(-c3noc(-c4ccc(C)cc4[O-])n3)cc2s1 ZINC000436941115 334019843 /nfs/dbraw/zinc/01/98/43/334019843.db2.gz ORSQBZVDXVQAQR-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM CC(C)C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000414638253 334049925 /nfs/dbraw/zinc/04/99/25/334049925.db2.gz NRVAGGFACCQUTD-OAHLLOKOSA-N -1 3 303.427 4.323 20 0 DIADHM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000414642633 334051542 /nfs/dbraw/zinc/05/15/42/334051542.db2.gz VXSHYNLOIDWNGW-QGZVFWFLSA-N -1 3 301.361 4.011 20 0 DIADHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000414681467 334067908 /nfs/dbraw/zinc/06/79/08/334067908.db2.gz MDTFLXJFNRHCRU-ZDUSSCGKSA-N -1 3 303.427 4.100 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000467511160 334265772 /nfs/dbraw/zinc/26/57/72/334265772.db2.gz GLRBVLHVTPTEKU-LLVKDONJSA-N -1 3 323.314 4.462 20 0 DIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000048652361 334290962 /nfs/dbraw/zinc/29/09/62/334290962.db2.gz NXDBMPIQJCPNRE-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1C ZINC000302957077 334297856 /nfs/dbraw/zinc/29/78/56/334297856.db2.gz OBEXEBIATQBCNO-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Cc1ccccc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000110964920 334299186 /nfs/dbraw/zinc/29/91/86/334299186.db2.gz ODXLOVHXDMVXQT-UHFFFAOYSA-N -1 3 322.389 4.270 20 0 DIADHM CCc1nc([N-]C(=O)c2cc(C(CC)CC)no2)sc1C ZINC000303810268 334327957 /nfs/dbraw/zinc/32/79/57/334327957.db2.gz BVASTGWYKWNIOE-UHFFFAOYSA-N -1 3 307.419 4.158 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000534704012 334328574 /nfs/dbraw/zinc/32/85/74/334328574.db2.gz FKMSHURIKUJUDN-UWVGGRQHSA-N -1 3 321.726 4.353 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)c2cccs2)c1[O-] ZINC000534705942 334328835 /nfs/dbraw/zinc/32/88/35/334328835.db2.gz UVEKTCCZQHUOSW-UHFFFAOYSA-N -1 3 309.818 4.332 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000303679549 334329036 /nfs/dbraw/zinc/32/90/36/334329036.db2.gz RLUQYNFYWRKISM-NXEZZACHSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000303679551 334329100 /nfs/dbraw/zinc/32/91/00/334329100.db2.gz RLUQYNFYWRKISM-VHSXEESVSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])C1(c2cccc(F)c2)CCCC1 ZINC000534710595 334331671 /nfs/dbraw/zinc/33/16/71/334331671.db2.gz XZLFOCNHUBPINU-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000111546545 334338522 /nfs/dbraw/zinc/33/85/22/334338522.db2.gz KUULZJGPRABIBF-QWHCGFSZSA-N -1 3 321.298 4.153 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1cnc(-c2ccco2)s1 ZINC000187891861 334341252 /nfs/dbraw/zinc/34/12/52/334341252.db2.gz SNWBWBOHLZHPKE-UHFFFAOYSA-N -1 3 310.787 4.370 20 0 DIADHM C[C@H](C1CC1)N(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000448685815 338447060 /nfs/dbraw/zinc/44/70/60/338447060.db2.gz CEEUHCBOHAQYMJ-CQSZACIVSA-N -1 3 323.436 4.268 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C2CC2)cc1 ZINC000416286724 334660081 /nfs/dbraw/zinc/66/00/81/334660081.db2.gz BPLMNHCTPUMXOA-NSHDSACASA-N -1 3 315.800 4.414 20 0 DIADHM Cc1nc([N-]C(=O)c2ncoc2-c2ccccc2Cl)cs1 ZINC000344655800 335268975 /nfs/dbraw/zinc/26/89/75/335268975.db2.gz LQUFVDWPCMRNSR-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345133847 335304382 /nfs/dbraw/zinc/30/43/82/335304382.db2.gz MSTUFSICWFKLOO-LSDHHAIUSA-N -1 3 319.445 4.074 20 0 DIADHM CC(C)c1csc2[nH]c(-c3cc([O-])cc(F)c3)nc(=O)c12 ZINC000345212412 335308051 /nfs/dbraw/zinc/30/80/51/335308051.db2.gz UZIXWGFSSSRMSA-UHFFFAOYSA-N -1 3 304.346 4.032 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1coc(C2CCCC2)n1 ZINC000348112103 335554444 /nfs/dbraw/zinc/55/44/44/335554444.db2.gz CDUKBNGVYUWLDB-UHFFFAOYSA-N -1 3 310.275 4.002 20 0 DIADHM [O-]c1cc(F)cc(CNCc2nc3cc(Cl)ccc3s2)c1 ZINC000349613532 335685102 /nfs/dbraw/zinc/68/51/02/335685102.db2.gz RZPFHPKWRCZPAH-UHFFFAOYSA-N -1 3 322.792 4.084 20 0 DIADHM CC1(C)C[C@@H](NCc2cc([O-])cc(F)c2)c2ccc(F)cc2O1 ZINC000349666386 335690352 /nfs/dbraw/zinc/69/03/52/335690352.db2.gz KRDQZVKKQVWLQG-MRXNPFEDSA-N -1 3 319.351 4.062 20 0 DIADHM Cc1ccc(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000535961617 335805648 /nfs/dbraw/zinc/80/56/48/335805648.db2.gz SVSMKQWTLNEMCL-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM CCc1cc(C)c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])o1 ZINC000532261281 335926999 /nfs/dbraw/zinc/92/69/99/335926999.db2.gz UQAFTQWOKJEREL-UHFFFAOYSA-N -1 3 301.386 4.406 20 0 DIADHM [O-]c1cc(F)cc(CN(Cc2ccco2)Cc2ccccc2)c1 ZINC000352010554 336188466 /nfs/dbraw/zinc/18/84/66/336188466.db2.gz GJGGWHARMZDQNA-UHFFFAOYSA-N -1 3 311.356 4.327 20 0 DIADHM CSc1ccccc1CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000352143802 336196532 /nfs/dbraw/zinc/19/65/32/336196532.db2.gz WMZCEVZAYRZZCB-UHFFFAOYSA-N -1 3 321.829 4.040 20 0 DIADHM [O-]c1c(-c2nc([C@H]3CCC(F)(F)C3)no2)ccc2c1CCCC2 ZINC000333263588 336200845 /nfs/dbraw/zinc/20/08/45/336200845.db2.gz GCBYRSRJHNLOFT-NSHDSACASA-N -1 3 320.339 4.224 20 0 DIADHM O=C(Nc1csc2ccccc12)c1cc(-c2ccco2)[n-]n1 ZINC000352207411 336202820 /nfs/dbraw/zinc/20/28/20/336202820.db2.gz XOEJMQVMNIASQS-UHFFFAOYSA-N -1 3 309.350 4.137 20 0 DIADHM O=C(Nc1csc2ccccc12)c1cc(-c2ccco2)n[n-]1 ZINC000352207411 336202821 /nfs/dbraw/zinc/20/28/21/336202821.db2.gz XOEJMQVMNIASQS-UHFFFAOYSA-N -1 3 309.350 4.137 20 0 DIADHM O=C(Cc1ccc2ccccc2c1)N1CCCc2cccc([O-])c21 ZINC000324836916 336262079 /nfs/dbraw/zinc/26/20/79/336262079.db2.gz BLMJTFOHHYAYLN-UHFFFAOYSA-N -1 3 317.388 4.067 20 0 DIADHM CC(C)(C)c1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000532838249 336272738 /nfs/dbraw/zinc/27/27/38/336272738.db2.gz WYGCITAUZHGRBM-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc([O-])ccc1Cl ZINC000352852506 336279977 /nfs/dbraw/zinc/27/99/77/336279977.db2.gz HJOMQAQKAXWXBS-UHFFFAOYSA-N -1 3 305.736 4.314 20 0 DIADHM COc1cccc(-c2noc([N-][C@@H](C)c3ccc(C)s3)n2)c1 ZINC000301384086 336303765 /nfs/dbraw/zinc/30/37/65/336303765.db2.gz WEALWKAYDPMAAO-NSHDSACASA-N -1 3 315.398 4.288 20 0 DIADHM CCc1nc([C@@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)cs1 ZINC000302030779 336344140 /nfs/dbraw/zinc/34/41/40/336344140.db2.gz IJRWSZFRFJALBG-LLVKDONJSA-N -1 3 314.414 4.237 20 0 DIADHM CC[C@@H]([N-]c1nc(-c2ccc(C)cc2)no1)c1c(C)noc1C ZINC000302030775 336344195 /nfs/dbraw/zinc/34/41/95/336344195.db2.gz IJKACFMXGQIQAR-CQSZACIVSA-N -1 3 312.373 4.213 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)CCC(C)C)nc2)n1 ZINC000302722586 336366553 /nfs/dbraw/zinc/36/65/53/336366553.db2.gz IGPLIOAONOZPKK-ZDUSSCGKSA-N -1 3 314.433 4.043 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(C)c2)s1 ZINC000354741207 336480739 /nfs/dbraw/zinc/48/07/39/336480739.db2.gz 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/nfs/dbraw/zinc/12/00/13/337120013.db2.gz ZFICYWACRGVZLG-UONOGXRCSA-N -1 3 307.821 4.049 20 0 DIADHM CC(C)c1nc(C(=O)[N-]c2cc(-c3ccccc3)on2)cs1 ZINC000175870739 337148627 /nfs/dbraw/zinc/14/86/27/337148627.db2.gz XEKFQAHYFSUHQW-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000182404876 337188236 /nfs/dbraw/zinc/18/82/36/337188236.db2.gz YRLNXZWXEQWRJY-IBGZPJMESA-N -1 3 320.392 4.241 20 0 DIADHM c1coc(-c2nnc([N-]Cc3ccc(Oc4ccccc4)o3)o2)c1 ZINC000182572609 337188993 /nfs/dbraw/zinc/18/89/93/337188993.db2.gz NCGSHFLVXTUICR-UHFFFAOYSA-N -1 3 323.308 4.327 20 0 DIADHM O=[S@](Cc1cc(Cl)ccc1Cl)c1cccc([O-])c1 ZINC000184072771 337195954 /nfs/dbraw/zinc/19/59/54/337195954.db2.gz QGWRGMMJFHMARQ-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C[C@H](C)CC)nc2)n1 ZINC000582997856 337226910 /nfs/dbraw/zinc/22/69/10/337226910.db2.gz YBTBRMSSZQGJPE-OLZOCXBDSA-N -1 3 314.433 4.043 20 0 DIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cccc([O-])c1 ZINC000185552866 337249076 /nfs/dbraw/zinc/24/90/76/337249076.db2.gz LEYZAHJTRWSNED-AWEZNQCLSA-N -1 3 319.813 4.013 20 0 DIADHM C[C@H](c1nc2ccccc2s1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186165099 337254020 /nfs/dbraw/zinc/25/40/20/337254020.db2.gz KRXBRVGANMLVTF-LLVKDONJSA-N -1 3 316.401 4.334 20 0 DIADHM CCc1cccnc1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000392621517 337267323 /nfs/dbraw/zinc/26/73/23/337267323.db2.gz CCHVYIICEWUALU-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CS[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000525930713 337280206 /nfs/dbraw/zinc/28/02/06/337280206.db2.gz MKRQPIIDWVIOGY-MRXNPFEDSA-N -1 3 317.454 4.053 20 0 DIADHM O=C([O-])C[C@H](NCc1ccc(C2CCCC2)cc1)c1ccncc1 ZINC000583274350 337300007 /nfs/dbraw/zinc/30/00/07/337300007.db2.gz YLPDZJAGAQQJBM-IBGZPJMESA-N -1 3 324.424 4.045 20 0 DIADHM O=c1cc(CSCc2cccc(C(F)F)c2)nc(C2CC2)[n-]1 ZINC000419480862 337487212 /nfs/dbraw/zinc/48/72/12/337487212.db2.gz WKKRJLJMQGYSFY-UHFFFAOYSA-N -1 3 322.380 4.431 20 0 DIADHM CC(C)(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2)s1 ZINC000262713365 337620760 /nfs/dbraw/zinc/62/07/60/337620760.db2.gz QNYSEJMLFWAGJD-UHFFFAOYSA-N -1 3 303.427 4.034 20 0 DIADHM CCc1cc(C(=O)N[C@H](CC(F)F)c2ccccc2)ccc1[O-] ZINC000422031124 337666936 /nfs/dbraw/zinc/66/69/36/337666936.db2.gz YIFYOEDRTHIOMU-OAHLLOKOSA-N -1 3 319.351 4.081 20 0 DIADHM CCOc1cc(-c2noc(/C=C3\CC[C@@H](C)C3)n2)ccc1[O-] ZINC000445427405 337727681 /nfs/dbraw/zinc/72/76/81/337727681.db2.gz OXJLSRGPDIOVCC-LWMMSDEHSA-N -1 3 300.358 4.044 20 0 DIADHM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1c([O-])cccc1Cl ZINC000514805635 337971996 /nfs/dbraw/zinc/97/19/96/337971996.db2.gz RIYXVJDXFLCXKX-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM O=C([O-])C[C@H](NCc1csc2ccccc12)c1ccsc1 ZINC000426682509 338038023 /nfs/dbraw/zinc/03/80/23/338038023.db2.gz JIBZUUGGSJDKRJ-AWEZNQCLSA-N -1 3 317.435 4.268 20 0 DIADHM Cc1ccc([C@H](NCc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000426716734 338039039 /nfs/dbraw/zinc/03/90/39/338039039.db2.gz 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/nfs/dbraw/zinc/15/93/65/338159365.db2.gz KOHQGSCBMBICNM-UHFFFAOYSA-N -1 3 314.370 4.059 20 0 DIADHM Cc1ccsc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432703954 338163555 /nfs/dbraw/zinc/16/35/55/338163555.db2.gz MODNUOCFBNOGLW-QINSGFPZSA-N -1 3 308.406 4.335 20 0 DIADHM Cc1cc(F)ccc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432710692 338163834 /nfs/dbraw/zinc/16/38/34/338163834.db2.gz POKDTVKPNUXTFV-LGMDPLHJSA-N -1 3 320.367 4.001 20 0 DIADHM CC(C)N(Cc1cccc(F)c1)C(=O)c1cc([O-])ccc1Cl ZINC000432874220 338171541 /nfs/dbraw/zinc/17/15/41/338171541.db2.gz CUOFXOQUYFNBNQ-UHFFFAOYSA-N -1 3 321.779 4.236 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CC)C(C)(C)C)nc2)n1 ZINC000433779304 338201548 /nfs/dbraw/zinc/20/15/48/338201548.db2.gz IQSLYSJGIJKJCP-AWEZNQCLSA-N -1 3 314.433 4.043 20 0 DIADHM CC(C)(c1ccc(C(=O)Nc2ccccc2[O-])cc1)C(F)(F)F ZINC000434134626 338210404 /nfs/dbraw/zinc/21/04/04/338210404.db2.gz VNDQLFQBQBYBTP-UHFFFAOYSA-N -1 3 323.314 4.484 20 0 DIADHM CCn1c(=O)[n-]nc1SCc1ccc(-c2cccs2)cc1 ZINC000434642351 338222193 /nfs/dbraw/zinc/22/21/93/338222193.db2.gz GZWIKQNWQLROAU-UHFFFAOYSA-N -1 3 317.439 4.024 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3ncccc3c2)CC)n1 ZINC000435341623 338237569 /nfs/dbraw/zinc/23/75/69/338237569.db2.gz ZZGLLOPILIMHFL-RVDMUPIBSA-N -1 3 319.408 4.221 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(C)c(F)c2)CC)n1 ZINC000435341068 338237646 /nfs/dbraw/zinc/23/76/46/338237646.db2.gz RLVXOMAMWUNZOH-NTEUORMPSA-N -1 3 300.377 4.121 20 0 DIADHM C[C@H]1[C@@H](C(=O)N2CC[C@@H](C)c3cccc([O-])c32)[C@H]1c1ccccc1 ZINC000435823847 338250501 /nfs/dbraw/zinc/25/05/01/338250501.db2.gz FSIYPNJZARERMR-TWKYDXJASA-N -1 3 321.420 4.282 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000435951834 338254041 /nfs/dbraw/zinc/25/40/41/338254041.db2.gz IRBIHSSJNZMJHU-BQYQJAHWSA-N -1 3 303.321 4.094 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4cc[nH]c4c3)no2)c1 ZINC000435953687 338254189 /nfs/dbraw/zinc/25/41/89/338254189.db2.gz ARPXRKMSRQNEPN-QPJJXVBHSA-N -1 3 303.321 4.094 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3ccc4ncccc4c3)no2)c1 ZINC000435956653 338254220 /nfs/dbraw/zinc/25/42/20/338254220.db2.gz HTFMGHUHGVSSAQ-RMKNXTFCSA-N -1 3 315.332 4.161 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(CCCc3ccsc3)no2)c1 ZINC000435962866 338254476 /nfs/dbraw/zinc/25/44/76/338254476.db2.gz YKRUJOYSSNDFLZ-BQYQJAHWSA-N -1 3 312.394 4.182 20 0 DIADHM COc1cccc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c1[O-] ZINC000436483398 338273707 /nfs/dbraw/zinc/27/37/07/338273707.db2.gz CJUQCOABFOTLIK-UHFFFAOYSA-N -1 3 319.445 4.078 20 0 DIADHM O=C(c1ccccc1[O-])N1CCCC[C@@H]1CCc1ccccc1 ZINC000436520496 338274860 /nfs/dbraw/zinc/27/48/60/338274860.db2.gz GOOYSOQBZMXAPW-QGZVFWFLSA-N -1 3 309.409 4.020 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c([O-])c1 ZINC000436527321 338275143 /nfs/dbraw/zinc/27/51/43/338275143.db2.gz HWZBPHXRJWNXIU-JKSUJKDBSA-N -1 3 309.409 4.027 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc4ccc(Cl)cc4n3)n2)cc1 ZINC000436530108 338275308 /nfs/dbraw/zinc/27/53/08/338275308.db2.gz DAIGZTWLLGCTLD-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1nc(CC(C)C)c(-c2nc(-c3ccc([O-])cc3)no2)s1 ZINC000436530162 338275410 /nfs/dbraw/zinc/27/54/10/338275410.db2.gz DFEYYXIIXMWVRT-UHFFFAOYSA-N -1 3 315.398 4.073 20 0 DIADHM C[C@H](CCOc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436534260 338275640 /nfs/dbraw/zinc/27/56/40/338275640.db2.gz OJZXHZQRIANFSF-CYBMUJFWSA-N -1 3 310.353 4.015 20 0 DIADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)Cc1cccc(F)c1 ZINC000436537718 338276026 /nfs/dbraw/zinc/27/60/26/338276026.db2.gz YWSYAGTUNUSOBS-GFCCVEGCSA-N -1 3 312.344 4.003 20 0 DIADHM COc1ccc(N(CC(C)C)C(=O)c2ccc(C)cc2[O-])cc1 ZINC000436539840 338276050 /nfs/dbraw/zinc/27/60/50/338276050.db2.gz NAESVUBNGOTTQB-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CN(CC(C)(C)C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436543811 338276248 /nfs/dbraw/zinc/27/62/48/338276248.db2.gz NCOZWURNJXMWSS-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1[O-] ZINC000436558411 338277128 /nfs/dbraw/zinc/27/71/28/338277128.db2.gz XQCIZKIMGYDPDC-UHOSZYNNSA-N -1 3 321.420 4.109 20 0 DIADHM CC[C@H](CN(CC)C(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000436562362 338277165 /nfs/dbraw/zinc/27/71/65/338277165.db2.gz FEQUQVFQXFTHGD-MRXNPFEDSA-N -1 3 311.425 4.357 20 0 DIADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436567825 338277385 /nfs/dbraw/zinc/27/73/85/338277385.db2.gz USJXTPBCZHMMSW-ZDUSSCGKSA-N -1 3 309.365 4.246 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000436572529 338277799 /nfs/dbraw/zinc/27/77/99/338277799.db2.gz ZKRNAFKXEBSIRG-MRXNPFEDSA-N -1 3 315.800 4.195 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c([O-])c1C ZINC000436578915 338278175 /nfs/dbraw/zinc/27/81/75/338278175.db2.gz XSIKODCHKUKXCF-WBMJQRKESA-N -1 3 313.397 4.215 20 0 DIADHM CCc1ccc([O-])c(-c2nc(Cc3cc4ccccc4o3)no2)c1 ZINC000436580375 338278192 /nfs/dbraw/zinc/27/81/92/338278192.db2.gz ZYYZTUARSOFMGU-UHFFFAOYSA-N -1 3 320.348 4.342 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c([O-])c1C ZINC000436578911 338278204 /nfs/dbraw/zinc/27/82/04/338278204.db2.gz XSIKODCHKUKXCF-MLGOLLRUSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436580138 338278208 /nfs/dbraw/zinc/27/82/08/338278208.db2.gz AGASERYSOXFKRB-GUYCJALGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1coc(-c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)n1 ZINC000436582758 338278411 /nfs/dbraw/zinc/27/84/11/338278411.db2.gz JIAYDTLTGZFNEO-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM C[C@@H](N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1(C)CC1 ZINC000436589892 338278780 /nfs/dbraw/zinc/27/87/80/338278780.db2.gz QLPSXVSDMOARCG-OAHLLOKOSA-N -1 3 323.436 4.244 20 0 DIADHM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(C)ccc1[O-] ZINC000436591400 338278861 /nfs/dbraw/zinc/27/88/61/338278861.db2.gz WJCSLHKRXGAVMV-QGZVFWFLSA-N -1 3 311.425 4.184 20 0 DIADHM CCCN(CC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436597419 338279223 /nfs/dbraw/zinc/27/92/23/338279223.db2.gz VGMFBVOWRHFNQW-UHFFFAOYSA-N -1 3 311.425 4.050 20 0 DIADHM CN(CCC1CC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436605588 338279551 /nfs/dbraw/zinc/27/95/51/338279551.db2.gz PZFWIISRLDICNB-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ncoc3C3CC3)n2)c2ccccc12 ZINC000436606054 338279600 /nfs/dbraw/zinc/27/96/00/338279600.db2.gz DDIHJKDOXISMOF-UHFFFAOYSA-N -1 3 319.320 4.128 20 0 DIADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436610195 338279766 /nfs/dbraw/zinc/27/97/66/338279766.db2.gz JOXAIWFPEOAJAO-IYBDPMFKSA-N -1 3 323.436 4.101 20 0 DIADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000436610193 338279792 /nfs/dbraw/zinc/27/97/92/338279792.db2.gz JOXAIWFPEOAJAO-HZPDHXFCSA-N -1 3 323.436 4.101 20 0 DIADHM [O-]c1ccc(-c2noc(CCCC(F)(F)F)n2)c2ccccc12 ZINC000436614478 338280222 /nfs/dbraw/zinc/28/02/22/338280222.db2.gz YCXLWBHVWWKWTE-UHFFFAOYSA-N -1 3 322.286 4.480 20 0 DIADHM CCCSCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436618665 338280301 /nfs/dbraw/zinc/28/03/01/338280301.db2.gz OMFDREGLIBPHMO-UHFFFAOYSA-N -1 3 300.383 4.239 20 0 DIADHM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(C)c3[O-])CC2)c1 ZINC000436618749 338280359 /nfs/dbraw/zinc/28/03/59/338280359.db2.gz PAJCUMCPDMWERN-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM Cc1ccc(C(=O)N(C)CCc2cccc3ccccc32)c([O-])c1 ZINC000436627641 338280658 /nfs/dbraw/zinc/28/06/58/338280658.db2.gz XKTVOYCYPAHJMP-UHFFFAOYSA-N -1 3 319.404 4.169 20 0 DIADHM O=c1[n-]c(-c2ccc(O)cc2)nc2cc(Cl)c(Cl)cc12 ZINC000436669982 338282289 /nfs/dbraw/zinc/28/22/89/338282289.db2.gz CHFZJQOGRLSDDW-UHFFFAOYSA-N -1 3 307.136 4.015 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2C)c([O-])c1 ZINC000436680214 338282486 /nfs/dbraw/zinc/28/24/86/338282486.db2.gz NHGHBBVTFSVNSG-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CCSc1cccc(NC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436697673 338283245 /nfs/dbraw/zinc/28/32/45/338283245.db2.gz KDRXCENOOWRXAA-UHFFFAOYSA-N -1 3 301.411 4.319 20 0 DIADHM CCCCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CCC[C@H](C)C1 ZINC000436708112 338283521 /nfs/dbraw/zinc/28/35/21/338283521.db2.gz ULNFORMMEDLXJG-GJZGRUSLSA-N -1 3 319.445 4.222 20 0 DIADHM Cc1ccc(C(=O)N(C)c2cc(Cl)ccc2C)c([O-])c1C ZINC000436706264 338283541 /nfs/dbraw/zinc/28/35/41/338283541.db2.gz OZIGOAWZVQTUJJ-UHFFFAOYSA-N -1 3 303.789 4.247 20 0 DIADHM CCCCN(C(=O)c1cccc(OC)c1[O-])[C@H]1CCC[C@@H](C)C1 ZINC000436708109 338283545 /nfs/dbraw/zinc/28/35/45/338283545.db2.gz ULNFORMMEDLXJG-CABCVRRESA-N -1 3 319.445 4.222 20 0 DIADHM C[C@H](C1CCC1)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436713082 338283683 /nfs/dbraw/zinc/28/36/83/338283683.db2.gz AKZUTNXIUYJUGO-OAHLLOKOSA-N -1 3 323.436 4.244 20 0 DIADHM CCCC[C@H](C)N(CCCC)C(=O)c1cccc(OC)c1[O-] ZINC000436710613 338283710 /nfs/dbraw/zinc/28/37/10/338283710.db2.gz WMHOJHALBRLEEC-AWEZNQCLSA-N -1 3 307.434 4.222 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000436734937 338284584 /nfs/dbraw/zinc/28/45/84/338284584.db2.gz BPKBFNWQMXVTKQ-UHFFFAOYSA-N -1 3 319.351 4.066 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000436742759 338285020 /nfs/dbraw/zinc/28/50/20/338285020.db2.gz YFVBPKYATNVPLQ-NSHDSACASA-N -1 3 318.804 4.055 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000436743638 338285238 /nfs/dbraw/zinc/28/52/38/338285238.db2.gz YATYHLCDLRLJFH-JLJPHGGASA-N -1 3 301.430 4.166 20 0 DIADHM COc1cc(-c2noc(-c3cccc(C)c3Cl)n2)ccc1[O-] ZINC000436745639 338285250 /nfs/dbraw/zinc/28/52/50/338285250.db2.gz AEVWRPNEVTYVIL-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)[C@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436753752 338285539 /nfs/dbraw/zinc/28/55/39/338285539.db2.gz GJRNMVMXVWIPKO-HNNXBMFYSA-N -1 3 311.425 4.100 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000436759853 338285928 /nfs/dbraw/zinc/28/59/28/338285928.db2.gz HNMVSYWEJVNCSS-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])cc1C ZINC000436766763 338286310 /nfs/dbraw/zinc/28/63/10/338286310.db2.gz SXMZNRLBGKSRII-SFHVURJKSA-N -1 3 309.409 4.295 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3Cl)n2)cc1 ZINC000436765918 338286396 /nfs/dbraw/zinc/28/63/96/338286396.db2.gz ADKVVFFPYXEOLE-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM COCc1c2ccccc2oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436768319 338286583 /nfs/dbraw/zinc/28/65/83/338286583.db2.gz JHFWFPBUPXQJIX-UHFFFAOYSA-N -1 3 322.320 4.002 20 0 DIADHM COc1ccc(CCCCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436769916 338286604 /nfs/dbraw/zinc/28/66/04/338286604.db2.gz PDRKHPXFGLCYJW-UHFFFAOYSA-N -1 3 324.380 4.016 20 0 DIADHM Cc1ccc2snc(C(=O)Nc3cc(Cl)ccc3[O-])c2c1 ZINC000436777435 338286948 /nfs/dbraw/zinc/28/69/48/338286948.db2.gz MZVHWXWNRJLPMG-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM [O-]c1ccccc1-c1nc(CSc2ccc(F)cc2F)no1 ZINC000436774266 338286989 /nfs/dbraw/zinc/28/69/89/338286989.db2.gz MKPLXFZPIYBBEU-UHFFFAOYSA-N -1 3 320.320 4.013 20 0 DIADHM Cc1nc2cc(F)ccc2cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436773255 338286995 /nfs/dbraw/zinc/28/69/95/338286995.db2.gz QLCWAYHIFWDTKH-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM COc1cc(-c2noc(-c3cccc4ccccc43)n2)ccc1[O-] ZINC000436787806 338287417 /nfs/dbraw/zinc/28/74/17/338287417.db2.gz YKMVXJJLDQDVGJ-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCc1sc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc1C ZINC000436789291 338287486 /nfs/dbraw/zinc/28/74/86/338287486.db2.gz KFWGNKXGSAKLEZ-UHFFFAOYSA-N -1 3 316.382 4.050 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)c([O-])c1 ZINC000436789631 338287503 /nfs/dbraw/zinc/28/75/03/338287503.db2.gz FMGDQUPDPWZNTR-OAHLLOKOSA-N -1 3 311.425 4.391 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3ccc4[nH]ccc4c3)n2)cc1 ZINC000436815227 338288350 /nfs/dbraw/zinc/28/83/50/338288350.db2.gz KBYKHHJYSYVJCW-WAPJZHGLSA-N -1 3 303.321 4.094 20 0 DIADHM CCc1ccc(C(=O)N(C)C/C(C)=C\c2ccccc2)c([O-])c1 ZINC000436819078 338288394 /nfs/dbraw/zinc/28/83/94/338288394.db2.gz MQPZMQQTIACSBK-QINSGFPZSA-N -1 3 309.409 4.130 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](CC)Cc2ccccc2)c([O-])c1 ZINC000436835241 338289221 /nfs/dbraw/zinc/28/92/21/338289221.db2.gz VAJYHMIBFIRBPY-KRWDZBQOSA-N -1 3 311.425 4.048 20 0 DIADHM CCc1ccc(C(=O)N(CC)[C@H](C)Cc2ccsc2)c([O-])c1 ZINC000436841124 338289522 /nfs/dbraw/zinc/28/95/22/338289522.db2.gz UYBVUGKJZXQSCD-CYBMUJFWSA-N -1 3 317.454 4.109 20 0 DIADHM CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000436840117 338289546 /nfs/dbraw/zinc/28/95/46/338289546.db2.gz WBMNTBRTFJPRHN-AEFFLSMTSA-N -1 3 323.436 4.357 20 0 DIADHM CC[C@H](C)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436863170 338290295 /nfs/dbraw/zinc/29/02/95/338290295.db2.gz JGEAYWQWGIQQNQ-HNNXBMFYSA-N -1 3 311.425 4.101 20 0 DIADHM CCc1ccc(-c2nc([C@H](C)c3cccs3)no2)c([O-])c1 ZINC000436862492 338290320 /nfs/dbraw/zinc/29/03/20/338290320.db2.gz ZDIZXOFDCVPFQE-SNVBAGLBSA-N -1 3 300.383 4.218 20 0 DIADHM O=C(c1ccccc1[O-])N(Cc1ccccc1Cl)CC1CC1 ZINC000436866355 338290469 /nfs/dbraw/zinc/29/04/69/338290469.db2.gz XADILYIDRQMMQT-UHFFFAOYSA-N -1 3 315.800 4.098 20 0 DIADHM CCOc1cc(-c2noc([C@@H](C)Cc3ccccc3)n2)ccc1[O-] ZINC000436870488 338290774 /nfs/dbraw/zinc/29/07/74/338290774.db2.gz PSPBWCNIOQWCBN-ZDUSSCGKSA-N -1 3 324.380 4.187 20 0 DIADHM COc1cc(-c2noc(-c3cccc4ccsc43)n2)ccc1[O-] ZINC000436877694 338291263 /nfs/dbraw/zinc/29/12/63/338291263.db2.gz QFVKQNXDKUKHOQ-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM Cc1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c([O-])c1C ZINC000436880404 338291425 /nfs/dbraw/zinc/29/14/25/338291425.db2.gz JHJYLYYRUMILGT-UHFFFAOYSA-N -1 3 313.397 4.073 20 0 DIADHM [O-]c1ccc(-c2noc(COc3cccc4ccccc43)n2)cc1 ZINC000436888288 338291988 /nfs/dbraw/zinc/29/19/88/338291988.db2.gz MXGDQOGEDFFVAD-UHFFFAOYSA-N -1 3 318.332 4.174 20 0 DIADHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)sc2nccc(C)c12 ZINC000436890144 338291996 /nfs/dbraw/zinc/29/19/96/338291996.db2.gz RUXHOAHZMFZNQO-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3ccc(Cl)s3)n2)cc1 ZINC000436890956 338292200 /nfs/dbraw/zinc/29/22/00/338292200.db2.gz WCGVLDAVXLASKN-VURMDHGXSA-N -1 3 304.758 4.328 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c([O-])c1C ZINC000436905573 338292880 /nfs/dbraw/zinc/29/28/80/338292880.db2.gz AXAACQCPJWJCGV-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM COc1cc(C)cc(-c2nc([C@H]3CCC[C@H](C)C3)no2)c1[O-] ZINC000436913620 338293320 /nfs/dbraw/zinc/29/33/20/338293320.db2.gz VSYCIFKGYRNIQA-JQWIXIFHSA-N -1 3 302.374 4.053 20 0 DIADHM Cc1cccc2[nH]cc(Cc3noc(-c4cccc(C)c4[O-])n3)c21 ZINC000436929688 338293982 /nfs/dbraw/zinc/29/39/82/338293982.db2.gz DBCLXGGVNMKIMA-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c1[O-] ZINC000436932650 338294204 /nfs/dbraw/zinc/29/42/04/338294204.db2.gz OQFUVJNGFWNJMA-ZDUSSCGKSA-N -1 3 324.380 4.219 20 0 DIADHM Cc1cc(C(=O)N2CCC(c3ccccc3C)CC2)ccc1[O-] ZINC000436936455 338294476 /nfs/dbraw/zinc/29/44/76/338294476.db2.gz FXLIIFSJPUTVCM-UHFFFAOYSA-N -1 3 309.409 4.029 20 0 DIADHM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc([O-])c(C)c3)CC2)c1 ZINC000436937806 338294677 /nfs/dbraw/zinc/29/46/77/338294677.db2.gz JDECQWYJBZAUCD-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM COc1cc(C)ccc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436950698 338295402 /nfs/dbraw/zinc/29/54/02/338295402.db2.gz OEUYJNPOZZVPAH-UHFFFAOYSA-N -1 3 310.353 4.043 20 0 DIADHM CCC(CC)(OC)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000436954863 338295747 /nfs/dbraw/zinc/29/57/47/338295747.db2.gz YILYVFFXWILEJE-UHFFFAOYSA-N -1 3 304.390 4.227 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(NC(C)(C)C)cn3)no2)c([O-])c1 ZINC000436956572 338295905 /nfs/dbraw/zinc/29/59/05/338295905.db2.gz NITVHMVZXQPFTJ-UHFFFAOYSA-N -1 3 324.384 4.023 20 0 DIADHM CSCc1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436958024 338295928 /nfs/dbraw/zinc/29/59/28/338295928.db2.gz CHKMZSYWHNWHOQ-UHFFFAOYSA-N -1 3 301.411 4.124 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c([O-])c1C ZINC000436979028 338296588 /nfs/dbraw/zinc/29/65/88/338296588.db2.gz JQZDUQAOHQLWGW-RDJZCZTQSA-N -1 3 323.436 4.336 20 0 DIADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccc1[O-] ZINC000437318068 338306908 /nfs/dbraw/zinc/30/69/08/338306908.db2.gz XKAAYHQXPRWNNN-RBUKOAKNSA-N -1 3 317.388 4.140 20 0 DIADHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437675716 338318128 /nfs/dbraw/zinc/31/81/28/338318128.db2.gz PZYXANCDUJUZDH-UHFFFAOYSA-N -1 3 315.847 4.326 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000438159916 338334469 /nfs/dbraw/zinc/33/44/69/338334469.db2.gz YWCBETWFDHTCEP-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c([O-])c1 ZINC000438969257 338357423 /nfs/dbraw/zinc/35/74/23/338357423.db2.gz PSWJQWNVITXSNZ-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000439095078 338360863 /nfs/dbraw/zinc/36/08/63/338360863.db2.gz JZOGWCFRXKQONG-GHMZBOCLSA-N -1 3 323.726 4.066 20 0 DIADHM CC(C)[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000439101390 338361063 /nfs/dbraw/zinc/36/10/63/338361063.db2.gz WAXNMHCFKHPOLZ-MRXNPFEDSA-N -1 3 303.789 4.424 20 0 DIADHM O=C(Nc1ccccc1[O-])C1(Sc2ccccc2)CCCC1 ZINC000440942272 338400210 /nfs/dbraw/zinc/40/02/10/338400210.db2.gz FGQOCEYVMHMIJT-UHFFFAOYSA-N -1 3 313.422 4.436 20 0 DIADHM O=[S@@](CCc1cc(Cl)cc(Cl)c1)c1ccc([O-])cc1 ZINC000447351249 338550444 /nfs/dbraw/zinc/55/04/44/338550444.db2.gz OJLKKGFUGASTJT-IBGZPJMESA-N -1 3 315.221 4.049 20 0 DIADHM Cc1cc(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000447860865 338569737 /nfs/dbraw/zinc/56/97/37/338569737.db2.gz KFODKISSLXRAML-GOSISDBHSA-N -1 3 315.388 4.309 20 0 DIADHM CC[C@H](c1ccccc1)N(CC)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448824329 338576249 /nfs/dbraw/zinc/57/62/49/338576249.db2.gz OJXXTOCTRLPXBW-QGZVFWFLSA-N -1 3 315.388 4.074 20 0 DIADHM C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C1CCCC1 ZINC000449857392 338655857 /nfs/dbraw/zinc/65/58/57/338655857.db2.gz AWJGQTKLWUPSIQ-AWEZNQCLSA-N -1 3 311.425 4.173 20 0 DIADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(F)F)c2c([O-])cccc21 ZINC000450936733 338713363 /nfs/dbraw/zinc/71/33/63/338713363.db2.gz NGXMFCMDGQTDLE-YPMHNXCESA-N -1 3 309.356 4.058 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N1CC(C2CCCC2)C1 ZINC000451363459 338731394 /nfs/dbraw/zinc/73/13/94/338731394.db2.gz SLLMBVPGLGJZLT-UHFFFAOYSA-N -1 3 323.436 4.127 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1[O-] ZINC000195703193 338914355 /nfs/dbraw/zinc/91/43/55/338914355.db2.gz LOKNEUHJDIXFQM-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)ccc1[O-] ZINC000458027411 338986377 /nfs/dbraw/zinc/98/63/77/338986377.db2.gz MSSQMNJWJICTSY-QZTJIDSGSA-N -1 3 309.409 4.109 20 0 DIADHM CCOc1cc(CNc2cc(C)cc(C)n2)cc(Cl)c1[O-] ZINC000459453582 339030149 /nfs/dbraw/zinc/03/01/49/339030149.db2.gz SOCROACAMBAYLP-UHFFFAOYSA-N -1 3 306.793 4.068 20 0 DIADHM CC(=O)c1ccc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)o1 ZINC000466583398 339209781 /nfs/dbraw/zinc/20/97/81/339209781.db2.gz 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/nfs/dbraw/zinc/27/29/84/339272984.db2.gz GZXBEHJZEYLCBD-UHFFFAOYSA-N -1 3 321.436 4.281 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(C)sn1 ZINC000468971077 339276350 /nfs/dbraw/zinc/27/63/50/339276350.db2.gz MZINACCHYWBQLD-UHFFFAOYSA-N -1 3 312.847 4.469 20 0 DIADHM CCCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000469092935 339280070 /nfs/dbraw/zinc/28/00/70/339280070.db2.gz VBJBHZGRPJTWMU-KRWDZBQOSA-N -1 3 321.436 4.329 20 0 DIADHM CC(C)CCSCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469121047 339280773 /nfs/dbraw/zinc/28/07/73/339280773.db2.gz SGMFPNADYKYLBX-ZDUSSCGKSA-N -1 3 307.459 4.012 20 0 DIADHM C[C@H](CC(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469296415 339285420 /nfs/dbraw/zinc/28/54/20/339285420.db2.gz QKHQYDPTLTZULI-LSDHHAIUSA-N -1 3 309.409 4.426 20 0 DIADHM CC[C@H]1CCCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469377850 339287299 /nfs/dbraw/zinc/28/72/99/339287299.db2.gz WZEHUOZFPQXSDU-HNNXBMFYSA-N -1 3 307.409 4.035 20 0 DIADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469414560 339288311 /nfs/dbraw/zinc/28/83/11/339288311.db2.gz SRYNOFASIYXTJO-RHSMWYFYSA-N -1 3 321.436 4.281 20 0 DIADHM CCC[C@H]1[C@H](C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469414559 339288376 /nfs/dbraw/zinc/28/83/76/339288376.db2.gz SRYNOFASIYXTJO-PBHICJAKSA-N -1 3 321.436 4.281 20 0 DIADHM CCOc1nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2[n-]1 ZINC000469515825 339292327 /nfs/dbraw/zinc/29/23/27/339292327.db2.gz TZROXRWVGJHFNC-UHFFFAOYSA-N -1 3 323.396 4.337 20 0 DIADHM CCOc1nc2cc(C(=O)Nc3ccccc3C(C)C)ccc2[n-]1 ZINC000469515825 339292328 /nfs/dbraw/zinc/29/23/28/339292328.db2.gz TZROXRWVGJHFNC-UHFFFAOYSA-N -1 3 323.396 4.337 20 0 DIADHM CC1(C)CN(C(=O)CCCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000469546335 339292914 /nfs/dbraw/zinc/29/29/14/339292914.db2.gz DHRSLDRFOYCAKO-UHFFFAOYSA-N -1 3 321.436 4.139 20 0 DIADHM CCC[C@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469558882 339293312 /nfs/dbraw/zinc/29/33/12/339293312.db2.gz 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Cc1cc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc(C)c1O ZINC000487083007 339743549 /nfs/dbraw/zinc/74/35/49/339743549.db2.gz JDRDASADZWAIEL-UHFFFAOYSA-N -1 3 320.801 4.458 20 0 DIADHM Cc1ccccc1C1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000487160897 339744824 /nfs/dbraw/zinc/74/48/24/339744824.db2.gz QEXOMUDPFPEPTI-UHFFFAOYSA-N -1 3 313.372 4.290 20 0 DIADHM C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000487212827 339746526 /nfs/dbraw/zinc/74/65/26/339746526.db2.gz ZRGQFJFIHFLVDG-LSDHHAIUSA-N -1 3 309.409 4.111 20 0 DIADHM COc1ccccc1[C@@H](C)S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000488824780 339794473 /nfs/dbraw/zinc/79/44/73/339794473.db2.gz ZVLBDDNYMRGYST-VXGBXAGGSA-N -1 3 304.415 4.055 20 0 DIADHM Cc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1[O-] ZINC000499619792 340041230 /nfs/dbraw/zinc/04/12/30/340041230.db2.gz CSZAZYCQQINISO-UHFFFAOYSA-N -1 3 303.361 4.205 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)ccc1[O-] ZINC000499769729 340044513 /nfs/dbraw/zinc/04/45/13/340044513.db2.gz AASXDTKRIMDNOI-INIZCTEOSA-N 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/nfs/dbraw/zinc/09/17/04/340091704.db2.gz BTGSFNPHODPMTA-UHFFFAOYSA-N -1 3 301.386 4.162 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)CCc2ccsc2)c([O-])c1 ZINC000501973192 340091742 /nfs/dbraw/zinc/09/17/42/340091742.db2.gz DTOWNLOIXPKNSA-UHFFFAOYSA-N -1 3 303.427 4.323 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000502665936 340109832 /nfs/dbraw/zinc/10/98/32/340109832.db2.gz IRQXVUDUFCIWGP-VXGBXAGGSA-N -1 3 322.191 4.441 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000502859636 340114863 /nfs/dbraw/zinc/11/48/63/340114863.db2.gz HHRFXHJMVMJJBU-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000503507191 340129466 /nfs/dbraw/zinc/12/94/66/340129466.db2.gz GRBZHKNHFWJGMF-MRVPVSSYSA-N -1 3 323.261 4.175 20 0 DIADHM COCc1ccccc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506225739 340189190 /nfs/dbraw/zinc/18/91/90/340189190.db2.gz XHVLKQHXNIJKDX-UHFFFAOYSA-N -1 3 313.397 4.088 20 0 DIADHM COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c(C)c1 ZINC000506244015 340189905 /nfs/dbraw/zinc/18/99/05/340189905.db2.gz RTLZPKYNPDGHDY-UHFFFAOYSA-N -1 3 313.397 4.259 20 0 DIADHM COc1cccc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)c1 ZINC000507077668 340206635 /nfs/dbraw/zinc/20/66/35/340206635.db2.gz MGPOJZGZSABBDG-INIZCTEOSA-N -1 3 319.351 4.016 20 0 DIADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC000507205241 340213132 /nfs/dbraw/zinc/21/31/32/340213132.db2.gz UZDNERDIQPMGGZ-GFCCVEGCSA-N -1 3 324.346 4.307 20 0 DIADHM CC(C)Oc1ccc(N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000507351940 340217864 /nfs/dbraw/zinc/21/78/64/340217864.db2.gz HHHHEWIIGUMOTD-UHFFFAOYSA-N -1 3 319.788 4.109 20 0 DIADHM [O-]c1cccc(CN(Cc2cccc(O)c2)CC2CC2)c1Cl ZINC000507907847 340235675 /nfs/dbraw/zinc/23/56/75/340235675.db2.gz IBHHRDLSGYPSCU-UHFFFAOYSA-N -1 3 317.816 4.163 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000508506580 340245170 /nfs/dbraw/zinc/24/51/70/340245170.db2.gz YHAZIGGPWOIFBA-CYBMUJFWSA-N -1 3 305.780 4.174 20 0 DIADHM CCc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000508538275 340246175 /nfs/dbraw/zinc/24/61/75/340246175.db2.gz LZNUEFLUIIXGJQ-GFCCVEGCSA-N -1 3 317.816 4.028 20 0 DIADHM CC(C)(C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000508777529 340253023 /nfs/dbraw/zinc/25/30/23/340253023.db2.gz IPNYLGJWSULRCF-INIZCTEOSA-N -1 3 301.361 4.049 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000508821691 340253648 /nfs/dbraw/zinc/25/36/48/340253648.db2.gz YYGSEGGVYUOJGH-SFHVURJKSA-N -1 3 309.409 4.020 20 0 DIADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cccc([O-])c1 ZINC000508957651 340256390 /nfs/dbraw/zinc/25/63/90/340256390.db2.gz CHOVMPUDXYSPAX-QGZVFWFLSA-N -1 3 323.417 4.168 20 0 DIADHM CC(C)c1nc2ccc(NC(=O)c3cccc([O-])c3)cc2s1 ZINC000509077113 340260611 /nfs/dbraw/zinc/26/06/11/340260611.db2.gz BVAFXMYYGBUHOI-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000509112390 340261594 /nfs/dbraw/zinc/26/15/94/340261594.db2.gz POLFVFNWPSBOMM-OALUTQOASA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cccc([O-])c2)cc1 ZINC000509112391 340261647 /nfs/dbraw/zinc/26/16/47/340261647.db2.gz POLFVFNWPSBOMM-RBUKOAKNSA-N -1 3 309.409 4.109 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)CC[C@H]1c1ccccc1 ZINC000509129170 340261961 /nfs/dbraw/zinc/26/19/61/340261961.db2.gz JFXWYRQMVPZFHV-DNVCBOLYSA-N -1 3 309.409 4.048 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cccc([O-])c2)CC[C@@H]1c1ccccc1 ZINC000509129169 340262007 /nfs/dbraw/zinc/26/20/07/340262007.db2.gz JFXWYRQMVPZFHV-BEFAXECRSA-N -1 3 309.409 4.048 20 0 DIADHM CCN(C(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1cccc(C)c1C ZINC000510104723 340288910 /nfs/dbraw/zinc/28/89/10/340288910.db2.gz XYMDVZPVBYTQDM-UHFFFAOYSA-N -1 3 323.396 4.262 20 0 DIADHM CCN(C(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1cccc(C)c1C ZINC000510104723 340288911 /nfs/dbraw/zinc/28/89/11/340288911.db2.gz XYMDVZPVBYTQDM-UHFFFAOYSA-N -1 3 323.396 4.262 20 0 DIADHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000512028135 340345856 /nfs/dbraw/zinc/34/58/56/340345856.db2.gz ZBKJNQZBXJRHBT-SCZZXKLOSA-N -1 3 324.273 4.015 20 0 DIADHM [O-]c1ccc(F)c(CNCc2cc3ccccc3s2)c1F ZINC000512058305 340347088 /nfs/dbraw/zinc/34/70/88/340347088.db2.gz NROHTTXAJFCDEY-UHFFFAOYSA-N -1 3 305.349 4.175 20 0 DIADHM [O-]c1cccc(CN2CCC(c3ccsc3)CC2)c1Cl ZINC000512691763 340373267 /nfs/dbraw/zinc/37/32/67/340373267.db2.gz YIUVZHHJCDWGII-UHFFFAOYSA-N -1 3 307.846 4.487 20 0 DIADHM Cc1nsc(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000512903762 340383441 /nfs/dbraw/zinc/38/34/41/340383441.db2.gz GGWGETCJABGWCH-UHFFFAOYSA-N -1 3 304.415 4.015 20 0 DIADHM CN(Cc1cccc2[nH]ccc21)Cc1cccc([O-])c1Cl ZINC000513237026 340398803 /nfs/dbraw/zinc/39/88/03/340398803.db2.gz SBYBXSNIRNFLMR-UHFFFAOYSA-N -1 3 300.789 4.159 20 0 DIADHM Cc1ccc(NC(=O)c2c(C)cccc2Br)c([O-])c1 ZINC000312095342 340451288 /nfs/dbraw/zinc/45/12/88/340451288.db2.gz RGUXYAYXLSFVLO-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccccc1[O-] ZINC000517317385 340467938 /nfs/dbraw/zinc/46/79/38/340467938.db2.gz QKOZSIGBPBMTTC-KRWDZBQOSA-N -1 3 313.397 4.312 20 0 DIADHM Cc1cccc([O-])c1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000183045173 340486148 /nfs/dbraw/zinc/48/61/48/340486148.db2.gz GFKYLDVRHVDLDH-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc([O-])cc1F ZINC000183251513 340487214 /nfs/dbraw/zinc/48/72/14/340487214.db2.gz WFQVRDYWZRMLOJ-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000185284649 340499637 /nfs/dbraw/zinc/49/96/37/340499637.db2.gz RPKZQMYZSGNMDF-UHFFFAOYSA-N -1 3 315.800 4.065 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)c2c([O-])cccc21 ZINC000186293341 340510564 /nfs/dbraw/zinc/51/05/64/340510564.db2.gz VOVVYGZQVKCGMK-LBPRGKRZSA-N -1 3 306.365 4.028 20 0 DIADHM C[C@H]1CCN(C(=O)CSc2ccccc2)c2c([O-])cccc21 ZINC000186299261 340511001 /nfs/dbraw/zinc/51/10/01/340511001.db2.gz VUKRHKIWTXWZMG-ZDUSSCGKSA-N -1 3 313.422 4.025 20 0 DIADHM [O-]c1cc(F)cc(CNc2cccc(Oc3ccccn3)c2)c1 ZINC000186405008 340512290 /nfs/dbraw/zinc/51/22/90/340512290.db2.gz PPWSEYNXIZKERO-UHFFFAOYSA-N -1 3 310.328 4.331 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000565200594 340525172 /nfs/dbraw/zinc/52/51/72/340525172.db2.gz PTWONXVFWVQVFA-RKDXNWHRSA-N -1 3 321.726 4.353 20 0 DIADHM O=C(/C=C/SCc1ccco1)Nc1cc(Cl)ccc1[O-] ZINC000152588569 340543937 /nfs/dbraw/zinc/54/39/37/340543937.db2.gz VWLGOXTUOMGTKF-FNORWQNLSA-N -1 3 309.774 4.024 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cc3c(cccc3F)[nH]2)c1[O-] ZINC000522631872 340606182 /nfs/dbraw/zinc/60/61/82/340606182.db2.gz WCLNGONLTRMIQM-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM C[C@@H]1C[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000303749451 340640981 /nfs/dbraw/zinc/64/09/81/340640981.db2.gz BJNIXNGPFAZMDH-OCCSQVGLSA-N -1 3 307.409 4.000 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cnc3ccsc3c2)c1[O-] ZINC000525242074 340696653 /nfs/dbraw/zinc/69/66/53/340696653.db2.gz IDWWHKRCFSWUHZ-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)no1 ZINC000126751010 340831599 /nfs/dbraw/zinc/83/15/99/340831599.db2.gz HXKGFHLXVBLOPN-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc([O-])c1F ZINC000128224126 340862318 /nfs/dbraw/zinc/86/23/18/340862318.db2.gz SIYVZFWDHJGVEK-LBPRGKRZSA-N -1 3 317.360 4.062 20 0 DIADHM CC[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(C)cc1 ZINC000128361588 340877971 /nfs/dbraw/zinc/87/79/71/340877971.db2.gz SEJJMNSAZHDRAG-CYBMUJFWSA-N -1 3 301.361 4.362 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1occc1-c1ccc(F)cc1 ZINC000129200289 340950978 /nfs/dbraw/zinc/95/09/78/340950978.db2.gz YHVZWIUAGPDWNG-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM C[C@@H]1C[C@H]1c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000545067504 341106880 /nfs/dbraw/zinc/10/68/80/341106880.db2.gz WBPRQJHAJYEAKQ-IUODEOHRSA-N -1 3 322.364 4.145 20 0 DIADHM CCc1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1[O-] ZINC000545610929 341133132 /nfs/dbraw/zinc/13/31/32/341133132.db2.gz QQLATRUOBZYKRF-UHFFFAOYSA-N -1 3 305.337 4.153 20 0 DIADHM Cc1ccc2c(Cc3nc(-c4ccc([O-])cc4)no3)coc2c1 ZINC000546589837 341173619 /nfs/dbraw/zinc/17/36/19/341173619.db2.gz DJYSMHILCLAPEJ-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM [O-]c1ccc(-c2noc(-c3scnc3C3CCCC3)n2)cc1 ZINC000546589675 341173659 /nfs/dbraw/zinc/17/36/59/341173659.db2.gz QDLSKRALTWRKRE-UHFFFAOYSA-N -1 3 313.382 4.223 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(Cl)cc1F ZINC000133385147 341174335 /nfs/dbraw/zinc/17/43/35/341174335.db2.gz TZWLTAWMVJZVEL-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM Cc1cccc(CCC(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000546660252 341177709 /nfs/dbraw/zinc/17/77/09/341177709.db2.gz DYHOQUJXHDEGNL-OAHLLOKOSA-N -1 3 309.409 4.174 20 0 DIADHM CCc1cccc(-c2nc([C@H](C)Oc3ccccc3)no2)c1[O-] ZINC000547143319 341197819 /nfs/dbraw/zinc/19/78/19/341197819.db2.gz JVITZDFXCAKGGZ-LBPRGKRZSA-N -1 3 310.353 4.145 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1oc2ccc(F)cc2c1C ZINC000547332606 341206398 /nfs/dbraw/zinc/20/63/98/341206398.db2.gz PMKLFZGMWVFQOF-UHFFFAOYSA-N -1 3 314.316 4.306 20 0 DIADHM Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cc2c1 ZINC000547366808 341209238 /nfs/dbraw/zinc/20/92/38/341209238.db2.gz CWQWDVPYAJGGQY-CYBMUJFWSA-N -1 3 320.392 4.336 20 0 DIADHM O=C(NC1CC(c2ccccc2)C1)c1cc([O-])c2ccccc2c1 ZINC000547422254 341212184 /nfs/dbraw/zinc/21/21/84/341212184.db2.gz IRSSMMCZRKUSLH-UHFFFAOYSA-N -1 3 317.388 4.221 20 0 DIADHM O=C([N-]c1cccc(F)c1F)c1cc(-c2ccc(F)cc2)on1 ZINC000135338293 341237189 /nfs/dbraw/zinc/23/71/89/341237189.db2.gz OLBOMLGFCOCGGC-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM CCCOc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000136121638 341253143 /nfs/dbraw/zinc/25/31/43/341253143.db2.gz WGXFLTULWUSEEK-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cnc4ccccc4c3)no2)c1 ZINC000548684352 341269305 /nfs/dbraw/zinc/26/93/05/341269305.db2.gz HVOPFVZCKHJRRW-CMDGGOBGSA-N -1 3 315.332 4.161 20 0 DIADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccs1 ZINC000081458616 341291609 /nfs/dbraw/zinc/29/16/09/341291609.db2.gz JIUWILCNPWWGIB-MRVPVSSYSA-N -1 3 315.316 4.215 20 0 DIADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1cccs1 ZINC000081458615 341291646 /nfs/dbraw/zinc/29/16/46/341291646.db2.gz JIUWILCNPWWGIB-QMMMGPOBSA-N -1 3 315.316 4.215 20 0 DIADHM Cc1ccc2snc(C(=O)[N-]c3c(F)cccc3F)c2c1 ZINC000549922449 341306828 /nfs/dbraw/zinc/30/68/28/341306828.db2.gz NJMKJDOQYQNHBO-UHFFFAOYSA-N -1 3 304.321 4.135 20 0 DIADHM O=C(c1cccc2ccccc21)N1CCCc2cccc([O-])c21 ZINC000082043131 341314341 /nfs/dbraw/zinc/31/43/41/341314341.db2.gz OXMVBXZEFHWNOF-UHFFFAOYSA-N -1 3 303.361 4.138 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3CCCSC3)n2)c2ccccc12 ZINC000551256507 341335712 /nfs/dbraw/zinc/33/57/12/341335712.db2.gz LKRVMKMBCVYWSF-NSHDSACASA-N -1 3 312.394 4.206 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3CCCSC3)n2)c2ccccc12 ZINC000551256506 341335728 /nfs/dbraw/zinc/33/57/28/341335728.db2.gz LKRVMKMBCVYWSF-LLVKDONJSA-N -1 3 312.394 4.206 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/C3CCOCC3)n2)c2ccccc12 ZINC000551606389 341347109 /nfs/dbraw/zinc/34/71/09/341347109.db2.gz ZNOOPJVLXCFCDV-VMPITWQZSA-N -1 3 322.364 4.035 20 0 DIADHM CC1(C)Cc2cccc(NC(=O)c3cc([O-])ccc3Cl)c2O1 ZINC000552010961 341360068 /nfs/dbraw/zinc/36/00/68/341360068.db2.gz IXMFTCVANRIPLV-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(Cl)s2)c1[O-] ZINC000552069671 341367261 /nfs/dbraw/zinc/36/72/61/341367261.db2.gz CESSTLYNRQESFQ-MRVPVSSYSA-N -1 3 323.801 4.052 20 0 DIADHM CC[C@@H](CC(=O)Nc1cccc(C(C)=O)c1[O-])c1ccccc1 ZINC000552285760 341384380 /nfs/dbraw/zinc/38/43/80/341384380.db2.gz CHIWFJNFURJUPK-AWEZNQCLSA-N -1 3 311.381 4.117 20 0 DIADHM Cc1oc(C(C)C)nc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000552366420 341389410 /nfs/dbraw/zinc/38/94/10/341389410.db2.gz BOHUPKKPGBNQEC-UHFFFAOYSA-N -1 3 316.401 4.362 20 0 DIADHM Cc1ccc2oc(C(=O)Nc3c([O-])cccc3Cl)cc2c1 ZINC000552434707 341393525 /nfs/dbraw/zinc/39/35/25/341393525.db2.gz XAKYFRSZIFULJE-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000552435411 341393539 /nfs/dbraw/zinc/39/35/39/341393539.db2.gz GAOHVVCGHWWDMO-ONGXEEELSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1cc(C(=O)NCCCCc2ccc(Cl)s2)ccc1[O-] ZINC000552660271 341401651 /nfs/dbraw/zinc/40/16/51/341401651.db2.gz WCUUQKNLFDJMBN-UHFFFAOYSA-N -1 3 323.845 4.168 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2c([O-])cccc2Cl)s1 ZINC000552780917 341404157 /nfs/dbraw/zinc/40/41/57/341404157.db2.gz WMCHUQGYPUVQPQ-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000552781716 341404172 /nfs/dbraw/zinc/40/41/72/341404172.db2.gz UONGFTDYZOHXEF-BDAKNGLRSA-N -1 3 323.726 4.066 20 0 DIADHM CC(C)c1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)c([O-])c(C(C)C)c1 ZINC000553713997 341434568 /nfs/dbraw/zinc/43/45/68/341434568.db2.gz GLTWHSGJDPYKEA-JSGCOSHPSA-N -1 3 311.372 4.022 20 0 DIADHM CCCc1ccccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000163052269 341466932 /nfs/dbraw/zinc/46/69/32/341466932.db2.gz WBEVWFUEGZSEKT-UHFFFAOYSA-N -1 3 303.789 4.179 20 0 DIADHM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccccc2[O-])c1 ZINC000556003575 341492276 /nfs/dbraw/zinc/49/22/76/341492276.db2.gz NAOMQNFSYVWYAW-UHFFFAOYSA-N -1 3 313.397 4.232 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2ccoc2C(F)(F)F)c1[O-] ZINC000567003056 341573881 /nfs/dbraw/zinc/57/38/81/341573881.db2.gz AUBVLVWCXFWBBI-UHFFFAOYSA-N -1 3 319.666 4.218 20 0 DIADHM CC(C)(C)[C@H](CNCc1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000277195024 341663224 /nfs/dbraw/zinc/66/32/24/341663224.db2.gz GBUSMLYTCLFQQE-JTQLQIEISA-N -1 3 318.244 4.220 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000174457895 341827363 /nfs/dbraw/zinc/82/73/63/341827363.db2.gz SGGUHTXMOJLVBC-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CC(C)C[C@H](NCc1ncccc1[O-])c1ccc(Cl)cc1 ZINC000577145692 341890285 /nfs/dbraw/zinc/89/02/85/341890285.db2.gz GWRRCIFRWFMNSA-HNNXBMFYSA-N -1 3 304.821 4.318 20 0 DIADHM CC(C)(C)c1ncsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000177400171 341919637 /nfs/dbraw/zinc/91/96/37/341919637.db2.gz ZUOYBMNWZBRBFD-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2CC[C@H](c3ccccc3F)C2)c1F ZINC000513410404 518203576 /nfs/dbraw/zinc/20/35/76/518203576.db2.gz CPLGJZLSYBGWPN-RYUDHWBXSA-N -1 3 321.342 4.235 20 0 DIADHM CC(C)(C)Sc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000155965601 518914006 /nfs/dbraw/zinc/91/40/06/518914006.db2.gz KXGVMZDSQIBFGE-CQSZACIVSA-N -1 3 324.446 4.157 20 0 DIADHM CC(C)(C)Sc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000155965601 518914015 /nfs/dbraw/zinc/91/40/15/518914015.db2.gz KXGVMZDSQIBFGE-CQSZACIVSA-N -1 3 324.446 4.157 20 0 DIADHM CC(C)Sc1ccccc1NC([O-])=NOCCC(F)(F)F ZINC000157597656 519788468 /nfs/dbraw/zinc/78/84/68/519788468.db2.gz XIKWZWKHQRKCNJ-UHFFFAOYSA-N -1 3 322.352 4.193 20 0 DIADHM CC(C)Sc1ccccc1NC(=O)[N-]OCCC(F)(F)F ZINC000157597656 519788469 /nfs/dbraw/zinc/78/84/69/519788469.db2.gz XIKWZWKHQRKCNJ-UHFFFAOYSA-N -1 3 322.352 4.193 20 0 DIADHM CC1(C)CCCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000338903561 520306662 /nfs/dbraw/zinc/30/66/62/520306662.db2.gz LUZCBQZIMJTLRG-UHFFFAOYSA-N -1 3 315.335 4.063 20 0 DIADHM CCc1nc(C(=O)[N-]c2ccccc2SC(C)C)c(C)o1 ZINC000354096554 522176297 /nfs/dbraw/zinc/17/62/97/522176297.db2.gz KDFDGUPRHVBEST-UHFFFAOYSA-N -1 3 304.415 4.298 20 0 DIADHM Cc1ccc(-c2ccc(CN(CC(=O)[O-])C(C)C)s2)cc1 ZINC000236723607 525750283 /nfs/dbraw/zinc/75/02/83/525750283.db2.gz LIBWXYXDDLUTSQ-UHFFFAOYSA-N -1 3 303.427 4.019 20 0 DIADHM Cc1ccc2c(CN(C)Cc3ccccc3F)ccc([O-])c2n1 ZINC000338254347 526126132 /nfs/dbraw/zinc/12/61/32/526126132.db2.gz OWVSSEKTAXOHSO-UHFFFAOYSA-N -1 3 310.372 4.020 20 0 DIADHM O=C(Nc1ccc(COC2CCCC2)cc1)c1cccc([O-])c1 ZINC000182490384 527170676 /nfs/dbraw/zinc/17/06/76/527170676.db2.gz CFUTYWGYEZLRPD-UHFFFAOYSA-N -1 3 311.381 4.104 20 0 DIADHM O=C([N-]c1nnc(C(F)F)s1)c1cc(Cl)ccc1Cl ZINC000336897372 527533016 /nfs/dbraw/zinc/53/30/16/527533016.db2.gz TVDXHDDLFCYXLS-UHFFFAOYSA-N -1 3 324.139 4.035 20 0 DIADHM CC(C)(CC(=O)Nc1ccccc1[O-])CC(=O)c1ccccc1 ZINC000282398554 534989018 /nfs/dbraw/zinc/98/90/18/534989018.db2.gz JPYVUBWGIVSDOE-UHFFFAOYSA-N -1 3 311.381 4.020 20 0 DIADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)cc(Br)n1 ZINC001212589409 1051584815 /nfs/dbraw/zinc/58/48/15/1051584815.db2.gz JYYKQIDOWZBAIR-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cc(Nc2cnc(Br)c(F)c2)ccc1Cl ZINC001212591630 1051645732 /nfs/dbraw/zinc/64/57/32/1051645732.db2.gz WNBLLSXXAUSAGF-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM CC[C@H](C)CC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097803 1053245454 /nfs/dbraw/zinc/24/54/54/1053245454.db2.gz XVSMOKMWRBGTQE-VHSXEESVSA-N -1 3 317.223 4.454 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(CO)c(F)c1Cl ZINC001250298295 1060764234 /nfs/dbraw/zinc/76/42/34/1060764234.db2.gz NRZCUIBFHXZQCZ-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 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C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc21 ZINC000578821539 1045275011 /nfs/dbraw/zinc/27/50/11/1045275011.db2.gz UGPZATSPTFGLKV-CYBMUJFWSA-N -1 3 303.361 4.309 20 0 DIADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)c2ccccc21 ZINC000578821540 1045275128 /nfs/dbraw/zinc/27/51/28/1045275128.db2.gz UGPZATSPTFGLKV-ZDUSSCGKSA-N -1 3 303.361 4.309 20 0 DIADHM Cc1cccc2nc(-c3ccc(C(C)(F)F)cc3)[n-]c(=O)c12 ZINC000578926624 1045282025 /nfs/dbraw/zinc/28/20/25/1045282025.db2.gz NEDATGNDBKOXDS-UHFFFAOYSA-N -1 3 300.308 4.010 20 0 DIADHM O=C(OCCCCC(F)(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000751659940 1045623288 /nfs/dbraw/zinc/62/32/88/1045623288.db2.gz SMVHTGLSRXRFNE-UHFFFAOYSA-N -1 3 304.095 4.211 20 0 DIADHM O=C(OCCCCC(F)(F)F)c1cc(F)cc(Cl)c1[O-] ZINC000751731891 1045631308 /nfs/dbraw/zinc/63/13/08/1045631308.db2.gz PKRFHUGQUAGAJE-UHFFFAOYSA-N -1 3 314.662 4.074 20 0 DIADHM C/C=C/C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000629375896 1045665434 /nfs/dbraw/zinc/66/54/34/1045665434.db2.gz 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Cc1ccc(NC(=S)Nc2ccc(Cl)cc2[O-])cc1C ZINC000753900949 1045816229 /nfs/dbraw/zinc/81/62/29/1045816229.db2.gz DAMMWSABUMCRLP-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM Cc1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2[O-])c1 ZINC000753901964 1045816890 /nfs/dbraw/zinc/81/68/90/1045816890.db2.gz KTPCFUDDGPVNQN-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCOc1cc(/C=C\C(=O)c2ccccc2)cc(Cl)c1[O-] ZINC000211358477 1045833743 /nfs/dbraw/zinc/83/37/43/1045833743.db2.gz HAEBSZNHFNYPPB-HJWRWDBZSA-N -1 3 302.757 4.340 20 0 DIADHM Cc1nocc1C(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000631462727 1045859655 /nfs/dbraw/zinc/85/96/55/1045859655.db2.gz UASGSLKBZZZUSU-UHFFFAOYSA-N -1 3 310.806 4.389 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cncc(-c2ccccc2)c1 ZINC000531561553 1045871313 /nfs/dbraw/zinc/87/13/13/1045871313.db2.gz ZUOAIUMYACXWNT-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM C[C@@H](NC1CCC(C(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000901910758 1045871404 /nfs/dbraw/zinc/87/14/04/1045871404.db2.gz HTZLGOLEVOFAJO-VOMCLLRMSA-N -1 3 310.463 4.097 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC001202807419 1045891862 /nfs/dbraw/zinc/89/18/62/1045891862.db2.gz JVLDMWLITMLNHS-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](c1ccco1)c1ccccc1 ZINC000902081182 1045906638 /nfs/dbraw/zinc/90/66/38/1045906638.db2.gz BYZKMIQHCFTXQN-RDTXWAMCSA-N -1 3 315.413 4.238 20 0 DIADHM CC(C)Oc1cccc([C@H](C)NCc2csc(C(=O)[O-])c2)c1 ZINC000902121045 1045918318 /nfs/dbraw/zinc/91/83/18/1045918318.db2.gz WXVNPGSLYQOYBW-LBPRGKRZSA-N -1 3 319.426 4.084 20 0 DIADHM CC(C)Oc1cccc([C@@H](C)NCc2csc(C(=O)[O-])c2)c1 ZINC000902121041 1045918478 /nfs/dbraw/zinc/91/84/78/1045918478.db2.gz WXVNPGSLYQOYBW-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM O=C(OCc1ccc(Cl)s1)c1cc(Cl)c(Cl)[n-]1 ZINC000828624577 1045922849 /nfs/dbraw/zinc/92/28/49/1045922849.db2.gz NWOGRDHVLHALFZ-UHFFFAOYSA-N -1 3 310.589 4.393 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2ccccc2)ccn1 ZINC001137704157 1045941158 /nfs/dbraw/zinc/94/11/58/1045941158.db2.gz VSHZNOOQEKMABP-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM Cc1oc(C(=O)[O-])cc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000902223363 1045949867 /nfs/dbraw/zinc/94/98/67/1045949867.db2.gz AHPBIXZGNNJMIY-KRWDZBQOSA-N -1 3 317.360 4.056 20 0 DIADHM CCc1oc(CN[C@H](c2ccccc2)C2CCC2)cc1C(=O)[O-] ZINC000902223759 1045950507 /nfs/dbraw/zinc/95/05/07/1045950507.db2.gz DEAKUFZCNMPZSU-GOSISDBHSA-N -1 3 313.397 4.171 20 0 DIADHM O=C([O-])/C=C/c1ccc(CN[C@H](c2ccccc2)C2CCC2)o1 ZINC000902223547 1045950773 /nfs/dbraw/zinc/95/07/73/1045950773.db2.gz CSMWERMPUIVVMJ-TZZQJPOUSA-N -1 3 311.381 4.008 20 0 DIADHM CCc1nc([C@H](C)N[C@@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902252845 1045957444 /nfs/dbraw/zinc/95/74/44/1045957444.db2.gz MLXYIYHYOPDELS-RYUDHWBXSA-N -1 3 312.479 4.026 20 0 DIADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902350451 1045982786 /nfs/dbraw/zinc/98/27/86/1045982786.db2.gz UZBRHFNNXABHTH-HNNXBMFYSA-N -1 3 315.335 4.026 20 0 DIADHM 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/nfs/dbraw/zinc/32/25/60/1046322560.db2.gz XDDVJSBJUDWKSP-UHFFFAOYSA-N -1 3 321.420 4.237 20 0 DIADHM Cc1sc2[n-]c(-c3oc4ccccc4c3C)nc(=O)c2c1C ZINC000053843348 1046349154 /nfs/dbraw/zinc/34/91/54/1046349154.db2.gz YCFZWFQDVZMNHW-UHFFFAOYSA-N -1 3 310.378 4.323 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000748831334 1046410147 /nfs/dbraw/zinc/41/01/47/1046410147.db2.gz PTIFTQXZEQYKCY-UHFFFAOYSA-N -1 3 321.420 4.193 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1sccc1SC(F)F ZINC000748854182 1046412195 /nfs/dbraw/zinc/41/21/95/1046412195.db2.gz KHAIFLWFTUOYFH-UHFFFAOYSA-N -1 3 319.329 4.160 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2cccs2)c1 ZINC000666625708 1046414681 /nfs/dbraw/zinc/41/46/81/1046414681.db2.gz DINZOGMANKKDNY-SNVBAGLBSA-N -1 3 307.440 4.009 20 0 DIADHM CC(C)C[C@H](Oc1cc(O)cc([O-])c1Br)C(C)C ZINC001229098139 1046417821 /nfs/dbraw/zinc/41/78/21/1046417821.db2.gz BWGCZBAHOBSXGC-LBPRGKRZSA-N -1 3 317.223 4.310 20 0 DIADHM CC(C)CCC[C@@H](C)Oc1cc(O)cc([O-])c1Br 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DIADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CSc3ccccc32)c1 ZINC000677190158 1046473594 /nfs/dbraw/zinc/47/35/94/1046473594.db2.gz ZADFKAAMVQSUHE-CYBMUJFWSA-N -1 3 313.422 4.089 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](C)CSc3ccccc32)c1[O-] ZINC000677190379 1046473704 /nfs/dbraw/zinc/47/37/04/1046473704.db2.gz MIFQBVMLEYUMIL-LBPRGKRZSA-N -1 3 313.422 4.089 20 0 DIADHM CC(C)O[C@H](COC(=O)c1cc2occc2[n-]1)c1ccccc1 ZINC000795570830 1046478302 /nfs/dbraw/zinc/47/83/02/1046478302.db2.gz SXXJMIZFCDJOKK-QGZVFWFLSA-N -1 3 313.353 4.084 20 0 DIADHM Cc1cc(C)c(NC(=O)[N-]c2cc(-c3ccccn3)no2)c(C)c1 ZINC001202950230 1046478383 /nfs/dbraw/zinc/47/83/83/1046478383.db2.gz CRNVOLGVYTWSFU-UHFFFAOYSA-N -1 3 322.368 4.306 20 0 DIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c1 ZINC001254793383 1046485588 /nfs/dbraw/zinc/48/55/88/1046485588.db2.gz AAWNAFSGSMUPRC-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM COc1nccc(Nc2cc(Cl)c([O-])cc2Cl)c1Cl ZINC001211952837 1046544869 /nfs/dbraw/zinc/54/48/69/1046544869.db2.gz 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ZINC001212007606 1046814996 /nfs/dbraw/zinc/81/49/96/1046814996.db2.gz QGGARYIIOBOIEO-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(Nc2cc(F)ccc2OC(F)(F)F)c(F)c1F ZINC001212010851 1046818078 /nfs/dbraw/zinc/81/80/78/1046818078.db2.gz CGDGYBREKYNIRO-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1ccc(Nc2ccc(Cc3ccccn3)cc2)c(F)c1F ZINC001212010897 1046819239 /nfs/dbraw/zinc/81/92/39/1046819239.db2.gz GEKVDBAMVVNRHA-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c([O-])c1 ZINC000614962147 1046891909 /nfs/dbraw/zinc/89/19/09/1046891909.db2.gz ZBLFXBDIWCPPCK-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c([O-])c1 ZINC000646554421 1046910514 /nfs/dbraw/zinc/91/05/14/1046910514.db2.gz WMQDBAKSRXPMAK-SFHVURJKSA-N -1 3 324.424 4.134 20 0 DIADHM CN(CC1CCCCC1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646633758 1046915720 /nfs/dbraw/zinc/91/57/20/1046915720.db2.gz HOPCEOAOHRMRTL-UHFFFAOYSA-N -1 3 315.335 4.063 20 0 DIADHM CCOc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)ccc1[O-] ZINC000067735343 1046919575 /nfs/dbraw/zinc/91/95/75/1046919575.db2.gz KLHHMXQWIPPZAJ-YBEGLDIGSA-N -1 3 321.376 4.198 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c([O-])c1 ZINC000647085629 1046940807 /nfs/dbraw/zinc/94/08/07/1046940807.db2.gz KMJVCFSFRXRKME-GOSISDBHSA-N -1 3 324.424 4.134 20 0 DIADHM [O-]c1ccc(CN2CCC(Cc3ccccc3)CC2)c(F)c1F ZINC001140889485 1046943100 /nfs/dbraw/zinc/94/31/00/1046943100.db2.gz HMDOMHVAMSNSLA-UHFFFAOYSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC001140990700 1046970509 /nfs/dbraw/zinc/97/05/09/1046970509.db2.gz NNHHGSFSRZHTJF-CYBMUJFWSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988858 1046971264 /nfs/dbraw/zinc/97/12/64/1046971264.db2.gz OTGXDQJUAJXTOW-QGZVFWFLSA-N -1 3 303.352 4.316 20 0 DIADHM CC(C)(CC(=O)[N-]OC1CCCCC1)CC(=O)c1ccccc1 ZINC000799426190 1047028352 /nfs/dbraw/zinc/02/83/52/1047028352.db2.gz WYOQGYATMVBIBN-UHFFFAOYSA-N -1 3 317.429 4.056 20 0 DIADHM CCN(CC)c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001212968955 1047116317 /nfs/dbraw/zinc/11/63/17/1047116317.db2.gz DBTQDIJYXFWXBC-UHFFFAOYSA-N -1 3 322.412 4.168 20 0 DIADHM CCCc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1Cl ZINC001137441869 1047120884 /nfs/dbraw/zinc/12/08/84/1047120884.db2.gz OGLUNPGAPVYYKC-UHFFFAOYSA-N -1 3 321.779 4.067 20 0 DIADHM O=C(Cc1cccc(C2CC2)c1)Nc1c([O-])cccc1Cl ZINC001141469579 1047143268 /nfs/dbraw/zinc/14/32/68/1047143268.db2.gz WNWGEYTVLRCAAA-UHFFFAOYSA-N -1 3 301.773 4.104 20 0 DIADHM CC1(C)Cc2cc(C(=O)Nc3c([O-])cccc3Cl)ccc2O1 ZINC001141469361 1047143987 /nfs/dbraw/zinc/14/39/87/1047143987.db2.gz QAFWXXXHVQAOEG-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM CCCCCC[C@@H](O)CCC(=O)Nc1c([O-])cccc1Cl ZINC001141469002 1047144004 /nfs/dbraw/zinc/14/40/04/1047144004.db2.gz FZJZAXSAWGYBLI-GFCCVEGCSA-N -1 3 313.825 4.096 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)c([O-])c1 ZINC001141558817 1047186117 /nfs/dbraw/zinc/18/61/17/1047186117.db2.gz ZJIMGVWHLULOBF-QGZVFWFLSA-N -1 3 301.430 4.187 20 0 DIADHM C[C@@H]1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001141580134 1047201807 /nfs/dbraw/zinc/20/18/07/1047201807.db2.gz WKJVYATZDLSEJA-QAPCUYQASA-N -1 3 323.436 4.292 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000682925029 1047239840 /nfs/dbraw/zinc/23/98/40/1047239840.db2.gz DPEGULNZZKFLDT-UHFFFAOYSA-N -1 3 313.784 4.106 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC001141720276 1047276496 /nfs/dbraw/zinc/27/64/96/1047276496.db2.gz GKKACEZPRUXSPE-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000650807607 1047282092 /nfs/dbraw/zinc/28/20/92/1047282092.db2.gz CKBWNWNFMLGMCF-CQSZACIVSA-N -1 3 323.845 4.364 20 0 DIADHM CC(C)Oc1ccc([C@@H](C)NCc2cc(C(=O)[O-])cs2)cc1 ZINC000388055144 1047284641 /nfs/dbraw/zinc/28/46/41/1047284641.db2.gz OMSMORZDEDBMJJ-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC001142009499 1047343483 /nfs/dbraw/zinc/34/34/83/1047343483.db2.gz MWDZIXACKZRLKG-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N(C)CC1(CC(=O)[O-])CC1 ZINC000652389316 1047358425 /nfs/dbraw/zinc/35/84/25/1047358425.db2.gz NSXCWYUHDYOTEY-SNVBAGLBSA-N -1 3 316.228 4.241 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC(C(F)F)CC2)c(Cl)c1 ZINC001142114871 1047382865 /nfs/dbraw/zinc/38/28/65/1047382865.db2.gz QVOWKMSVUJKHDA-UHFFFAOYSA-N -1 3 310.171 4.176 20 0 DIADHM C[C@H]1c2cccn2CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142118358 1047383207 /nfs/dbraw/zinc/38/32/07/1047383207.db2.gz IMAHXOXINXWEGP-JTQLQIEISA-N -1 3 311.212 4.077 20 0 DIADHM [O-]c1cc(Cl)c(CN2Cc3ccc(F)cc3C2)c(Cl)c1 ZINC001142115164 1047383730 /nfs/dbraw/zinc/38/37/30/1047383730.db2.gz ZWTQMBULBGSIBF-UHFFFAOYSA-N -1 3 312.171 4.354 20 0 DIADHM COc1ccc2c(c1)CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142114286 1047383823 /nfs/dbraw/zinc/38/38/23/1047383823.db2.gz FAGMWEPRCLGDCA-UHFFFAOYSA-N -1 3 324.207 4.223 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c([O-])c1 ZINC001142197475 1047395529 /nfs/dbraw/zinc/39/55/29/1047395529.db2.gz KSBPYBCALJXPSA-QGZVFWFLSA-N -1 3 313.372 4.072 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001142303295 1047427677 /nfs/dbraw/zinc/42/76/77/1047427677.db2.gz FQKPHXBRJOGMOS-JTQLQIEISA-N -1 3 317.435 4.468 20 0 DIADHM COc1cc(Cl)ccc1OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001142459458 1047458414 /nfs/dbraw/zinc/45/84/14/1047458414.db2.gz KTZWGAUCHZREBP-UHFFFAOYSA-N -1 3 320.559 4.203 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1F)c1c(F)ccc(F)c1F ZINC000120398203 1047492350 /nfs/dbraw/zinc/49/23/50/1047492350.db2.gz CQHQSYARXHUNGH-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC001142787637 1047496203 /nfs/dbraw/zinc/49/62/03/1047496203.db2.gz STNQBBRUQCKISI-LJQANCHMSA-N -1 3 321.420 4.383 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c1[O-] ZINC001149191069 1047557667 /nfs/dbraw/zinc/55/76/67/1047557667.db2.gz AZCAMNGTHMFYHR-YJBOKZPZSA-N -1 3 323.436 4.048 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC=CC12CCCCC2 ZINC001149292033 1047559319 /nfs/dbraw/zinc/55/93/19/1047559319.db2.gz ZCWIHHKXAVDWSO-UHFFFAOYSA-N -1 3 307.393 4.260 20 0 DIADHM CCc1cccc(C(=O)N[C@@](C)(CC)c2ccc(F)cc2)c1[O-] ZINC001151161101 1047592749 /nfs/dbraw/zinc/59/27/49/1047592749.db2.gz NXKQIFYGXYPQHK-IBGZPJMESA-N -1 3 315.388 4.149 20 0 DIADHM CC1(C)CCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000477100143 1047594000 /nfs/dbraw/zinc/59/40/00/1047594000.db2.gz LGTVVLXAUYZUQU-JTQLQIEISA-N -1 3 301.308 4.176 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2c(F)cccc2F)n1 ZINC000477344839 1047614607 /nfs/dbraw/zinc/61/46/07/1047614607.db2.gz ASWQSJCKSQQQKT-SECBINFHSA-N -1 3 310.369 4.017 20 0 DIADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])c(C)n1 ZINC001203376514 1047618946 /nfs/dbraw/zinc/61/89/46/1047618946.db2.gz NCKYXTNYZVVHQK-UHFFFAOYSA-N -1 3 311.154 4.049 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2c(C)cc(Cl)cc2C)c1 ZINC001153359824 1047622180 /nfs/dbraw/zinc/62/21/80/1047622180.db2.gz XHVRTZDDTVEXLO-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC001153462246 1047624846 /nfs/dbraw/zinc/62/48/46/1047624846.db2.gz SMBWMTJLCGMDGW-ZWNOBZJWSA-N -1 3 319.788 4.333 20 0 DIADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCc2ccccc2C1 ZINC001153461749 1047625009 /nfs/dbraw/zinc/62/50/09/1047625009.db2.gz OYCBETCNWMNDKW-SFHVURJKSA-N -1 3 315.800 4.179 20 0 DIADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001153462451 1047625251 /nfs/dbraw/zinc/62/52/51/1047625251.db2.gz XEBVRRKITAAOQM-LBPRGKRZSA-N -1 3 303.789 4.486 20 0 DIADHM Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001153467119 1047625265 /nfs/dbraw/zinc/62/52/65/1047625265.db2.gz CYDHWZKYYWNOAX-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM CC(C)c1cccc2cc(C(=O)Nc3ccc(F)c([O-])c3)[nH]c21 ZINC001154098770 1047639669 /nfs/dbraw/zinc/63/96/69/1047639669.db2.gz ICJYUYDAPNLSIR-UHFFFAOYSA-N -1 3 312.344 4.388 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC001154444432 1047648868 /nfs/dbraw/zinc/64/88/68/1047648868.db2.gz FKOZIBGKDYNHIA-LSDHHAIUSA-N -1 3 303.446 4.425 20 0 DIADHM CC[C@@H](CN(CC)C(=O)c1c(C)cccc1[O-])c1ccccc1 ZINC001154791747 1047656622 /nfs/dbraw/zinc/65/66/22/1047656622.db2.gz FVAFFRKMNMLQBQ-INIZCTEOSA-N -1 3 311.425 4.357 20 0 DIADHM O=C(NCc1cscc1Cl)c1cc([O-])c2ccccc2c1 ZINC001155556009 1047684390 /nfs/dbraw/zinc/68/43/90/1047684390.db2.gz RPKLGYFPJVKXQK-UHFFFAOYSA-N -1 3 317.797 4.190 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC001155594701 1047685142 /nfs/dbraw/zinc/68/51/42/1047685142.db2.gz HDCBLWMNSQFYJX-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000538748243 1047707717 /nfs/dbraw/zinc/70/77/17/1047707717.db2.gz ZNIHMEKUWSRFRL-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM CCC(C)(C)c1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC001156818803 1047723870 /nfs/dbraw/zinc/72/38/70/1047723870.db2.gz URVXLFRMOCJPFN-UHFFFAOYSA-N -1 3 313.397 4.341 20 0 DIADHM CC(C)c1cncc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001157947160 1047763936 /nfs/dbraw/zinc/76/39/36/1047763936.db2.gz MLACTNILKMXRHG-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2cc(C)cc3ccccc32)cc1[O-] ZINC001158556461 1047789289 /nfs/dbraw/zinc/78/92/89/1047789289.db2.gz ULJMHCZQIQTDID-UHFFFAOYSA-N -1 3 319.360 4.309 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc3cc(C)c(F)cc3s2)c1 ZINC001159152507 1047816266 /nfs/dbraw/zinc/81/62/66/1047816266.db2.gz ZXGFOKTUWJFBNS-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(-c3ncco3)c2C)c1[O-] ZINC000553057019 1047818425 /nfs/dbraw/zinc/81/84/25/1047818425.db2.gz JBCCNAVEGZDXPE-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1ccc(NC(=S)Nc2nc3c(cccc3[O-])s2)cc1 ZINC001197892970 1047892808 /nfs/dbraw/zinc/89/28/08/1047892808.db2.gz VBYNPEFIZADEOV-UHFFFAOYSA-N -1 3 315.423 4.119 20 0 DIADHM CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1F ZINC001159795815 1047926487 /nfs/dbraw/zinc/92/64/87/1047926487.db2.gz MILWLLFTFRQOJJ-UHFFFAOYSA-N -1 3 323.367 4.350 20 0 DIADHM Cc1c(F)cccc1Nc1cc(Br)cc(F)c1[O-] ZINC001174670768 1047928225 /nfs/dbraw/zinc/92/82/25/1047928225.db2.gz OPZNQUAKOZQJLW-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001159860828 1047937451 /nfs/dbraw/zinc/93/74/51/1047937451.db2.gz LTSLUVIYOBSAQS-MRXNPFEDSA-N -1 3 305.462 4.302 20 0 DIADHM O=C(NCCCc1ccsc1)c1cc2sccc2c([O-])c1 ZINC001159883231 1047940687 /nfs/dbraw/zinc/94/06/87/1047940687.db2.gz AEERCAYTWMDDHR-UHFFFAOYSA-N -1 3 317.435 4.031 20 0 DIADHM O=c1cc(Nc2ccc(C(F)F)cc2)[n-]n1-c1ccccc1 ZINC001174713603 1047950583 /nfs/dbraw/zinc/95/05/83/1047950583.db2.gz BMSCHIOICAXAFQ-UHFFFAOYSA-N -1 3 301.296 4.259 20 0 DIADHM Cc1cccc(C)c1NC(=S)Nc1c([O-])cccc1Cl ZINC001198357286 1047951388 /nfs/dbraw/zinc/95/13/88/1047951388.db2.gz KFRPDIQEIFVMLT-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM Cc1cccc(Cl)c1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001183717492 1047958900 /nfs/dbraw/zinc/95/89/00/1047958900.db2.gz KBZQKRKDHXKCPJ-UHFFFAOYSA-N -1 3 319.670 4.299 20 0 DIADHM [O-]c1cccc2sc(Nc3cncc(C(F)(F)F)c3)nc21 ZINC001174740819 1047961094 /nfs/dbraw/zinc/96/10/94/1047961094.db2.gz SBICRQYBETUVCP-UHFFFAOYSA-N -1 3 311.288 4.159 20 0 DIADHM Cc1cccc(Cl)c1NC(=O)Nc1ncc([O-])cc1Cl ZINC001183807643 1047968612 /nfs/dbraw/zinc/96/86/12/1047968612.db2.gz RVKSZJLAPKBCML-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c1 ZINC001160127202 1047982720 /nfs/dbraw/zinc/98/27/20/1047982720.db2.gz ZOJLPJKEIIVEBH-LJQANCHMSA-N -1 3 321.420 4.322 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)c1 ZINC001174832067 1047986243 /nfs/dbraw/zinc/98/62/43/1047986243.db2.gz JPGAHAOPCYJQSE-STQMWFEESA-N -1 3 319.470 4.012 20 0 DIADHM O=c1cc(Nc2ccc3ccccc3c2)[n-]n1-c1ccccc1 ZINC001174873163 1048009956 /nfs/dbraw/zinc/00/99/56/1048009956.db2.gz XKSGODGSIXPZNM-UHFFFAOYSA-N -1 3 301.349 4.475 20 0 DIADHM O=c1ccn(-c2ccc(Nc3ccc4ccccc4c3)cc2)[n-]1 ZINC001174875140 1048010267 /nfs/dbraw/zinc/01/02/67/1048010267.db2.gz HSZCQLTVJBWCNL-UHFFFAOYSA-N -1 3 301.349 4.475 20 0 DIADHM CCC[C@@](C)(NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001184290197 1048026751 /nfs/dbraw/zinc/02/67/51/1048026751.db2.gz JHIKBHHWFPCRPO-GOSISDBHSA-N -1 3 305.368 4.476 20 0 DIADHM CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C1CCC(C)CC1 ZINC001160321158 1048031555 /nfs/dbraw/zinc/03/15/55/1048031555.db2.gz JJSLXAUINOSQEK-PESDSKBTSA-N -1 3 317.429 4.386 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C3=CCCC3)cc2)c1[O-] ZINC001160321066 1048032570 /nfs/dbraw/zinc/03/25/70/1048032570.db2.gz GWHNOMDTAWZPKE-UHFFFAOYSA-N -1 3 321.376 4.414 20 0 DIADHM CCC1(C(=O)Nc2ccc(F)c([O-])c2)CCC(F)(F)CC1 ZINC001184647653 1048073390 /nfs/dbraw/zinc/07/33/90/1048073390.db2.gz MJEQIFYEMLCOFO-UHFFFAOYSA-N -1 3 301.308 4.076 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(F)cc2Br)c(F)c1 ZINC001175100349 1048115633 /nfs/dbraw/zinc/11/56/33/1048115633.db2.gz QMRLMSKODXJBMU-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(OC(F)(F)F)c(F)c2)c(F)c1 ZINC001175099839 1048116309 /nfs/dbraw/zinc/11/63/09/1048116309.db2.gz CASHAEIQQUOZKP-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(Br)cc2)c(F)c1 ZINC001175100296 1048116798 /nfs/dbraw/zinc/11/67/98/1048116798.db2.gz MBPIGZDPNPMVNZ-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM O=C(Nc1ccc(F)c(F)c1)Nc1cc2ccccc2cc1[O-] ZINC001185090405 1048126260 /nfs/dbraw/zinc/12/62/60/1048126260.db2.gz WWPJBRNETZKAMC-UHFFFAOYSA-N -1 3 314.291 4.468 20 0 DIADHM COc1ccc(Nc2cc([O-])c(F)cc2F)cc1C(F)(F)F ZINC001175071632 1048126959 /nfs/dbraw/zinc/12/69/59/1048126959.db2.gz WVFPUMJMLKQLBB-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1ccc(NC(=S)NC2CCCCCC2)c(Cl)c1[O-] ZINC001199972322 1048128785 /nfs/dbraw/zinc/12/87/85/1048128785.db2.gz YTVINAHIVPSMHZ-UHFFFAOYSA-N -1 3 312.866 4.363 20 0 DIADHM Nc1cc(F)c(C(F)(F)F)cc1Nc1c(F)cc([O-])cc1F ZINC001175096874 1048142312 /nfs/dbraw/zinc/14/23/12/1048142312.db2.gz KXCFWHMABQVWPM-UHFFFAOYSA-N -1 3 322.208 4.154 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1Cl ZINC001200928102 1048159536 /nfs/dbraw/zinc/15/95/36/1048159536.db2.gz MTBZWMIERXLPFF-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM CCOc1cc(CN(C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC001205327343 1048163370 /nfs/dbraw/zinc/16/33/70/1048163370.db2.gz GDLGSKGEGDUSDX-UHFFFAOYSA-N -1 3 305.805 4.389 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccc(C)c(C)c2)c1 ZINC001161808920 1048175743 /nfs/dbraw/zinc/17/57/43/1048175743.db2.gz AZGKUDQFLWZONG-UHFFFAOYSA-N -1 3 315.438 4.003 20 0 DIADHM O=C(CCCn1ccc2cc(Cl)ccc21)[N-]OC1CCCC1 ZINC000774874933 1048177215 /nfs/dbraw/zinc/17/72/15/1048177215.db2.gz ILKALYNRCMFNLL-UHFFFAOYSA-N -1 3 320.820 4.065 20 0 DIADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000774875047 1048177239 /nfs/dbraw/zinc/17/72/39/1048177239.db2.gz OCVFCRMZWPXULX-NSHDSACASA-N -1 3 315.335 4.189 20 0 DIADHM Cc1nc2cc(Nc3cc(=O)n(-c4ccccc4)[n-]3)ccc2s1 ZINC001213036280 1048179008 /nfs/dbraw/zinc/17/90/08/1048179008.db2.gz HQNNRKAUXNPQPC-UHFFFAOYSA-N -1 3 322.393 4.240 20 0 DIADHM CCOc1cc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)c1 ZINC001175172122 1048180650 /nfs/dbraw/zinc/18/06/50/1048180650.db2.gz DIPQSGTWVVQATC-UHFFFAOYSA-N -1 3 323.396 4.337 20 0 DIADHM CC(C)(C)c1nnc([N-]c2cccc(O[C@H]3CCCCO3)c2)o1 ZINC001175182597 1048187751 /nfs/dbraw/zinc/18/77/51/1048187751.db2.gz HVRKNCIXMLPRHE-AWEZNQCLSA-N -1 3 317.389 4.016 20 0 DIADHM Cc1cc(Br)ccc1Nc1c(F)ccc([O-])c1F ZINC001175264792 1048244369 /nfs/dbraw/zinc/24/43/69/1048244369.db2.gz HKJNLTZZMZZETI-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC[C@H](C)c1ccc([C@H](N=c2ncnc3[nH][n-]cc2-3)C(C)C)cc1 ZINC001162020700 1048215282 /nfs/dbraw/zinc/21/52/82/1048215282.db2.gz NDPHOBLRGVMAEE-SUMWQHHRSA-N -1 3 323.444 4.049 20 0 DIADHM O=C(NCc1cccc(F)c1)Nc1cc2ccccc2cc1[O-] ZINC001185825070 1048231565 /nfs/dbraw/zinc/23/15/65/1048231565.db2.gz CFOJTLAREITSNY-UHFFFAOYSA-N -1 3 310.328 4.006 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(CCc3ccccc3)no2)c1F ZINC001175261204 1048244787 /nfs/dbraw/zinc/24/47/87/1048244787.db2.gz GHZJDGTYCBNDGM-UHFFFAOYSA-N -1 3 316.307 4.187 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(F)c(Cl)nc2Cl)c1F ZINC001175263903 1048244854 /nfs/dbraw/zinc/24/48/54/1048244854.db2.gz WKTTUKDJWLEXAJ-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccccc2Br)c1F ZINC001175264180 1048244935 /nfs/dbraw/zinc/24/49/35/1048244935.db2.gz BRCTZGNQPKTYRS-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM CC(=O)Nc1ccc(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175268100 1048245453 /nfs/dbraw/zinc/24/54/53/1048245453.db2.gz HKTBVIYGVCHXLR-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccnn2-c2cccc(Cl)c2)c1F ZINC001175265968 1048245635 /nfs/dbraw/zinc/24/56/35/1048245635.db2.gz NQBOHVAMRDWVPF-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(F)ccc2Br)c1F ZINC001175265307 1048245695 /nfs/dbraw/zinc/24/56/95/1048245695.db2.gz KYOBTTZHOGTGMV-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Cc3ccccn3)cc2)c1F ZINC001175268797 1048246716 /nfs/dbraw/zinc/24/67/16/1048246716.db2.gz WMYDACOZBKQJRH-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM CC(C)n1ncc2cc(Nc3c(F)ccc([O-])c3F)ccc21 ZINC001175269716 1048248233 /nfs/dbraw/zinc/24/82/33/1048248233.db2.gz JTKDUAOWLOVXDA-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM CC(C)Oc1c(F)cc(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175270815 1048249091 /nfs/dbraw/zinc/24/90/91/1048249091.db2.gz KCQSGTVLWAVGIQ-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM COc1nc(C(C)C)ccc1[N-]c1nc(C(C)(C)C)ns1 ZINC001201431644 1048265840 /nfs/dbraw/zinc/26/58/40/1048265840.db2.gz OMEDTXHCQQOTQP-UHFFFAOYSA-N -1 3 306.435 4.106 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc3cc[nH]c3c2)c([O-])c1 ZINC001175354374 1048274013 /nfs/dbraw/zinc/27/40/13/1048274013.db2.gz LDBSNXHDLZZIFP-UHFFFAOYSA-N -1 3 322.408 4.269 20 0 DIADHM [O-]c1cc(Cl)c(Nc2cnc3cccnc3c2)cc1Cl ZINC001175358576 1048275861 /nfs/dbraw/zinc/27/58/61/1048275861.db2.gz PMIOBIFYICFENM-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM Fc1c(F)c(F)c([N-]c2snc3cccnc32)c(F)c1F ZINC001175384281 1048290641 /nfs/dbraw/zinc/29/06/41/1048290641.db2.gz MJLCSXQXTOEULM-UHFFFAOYSA-N -1 3 317.242 4.130 20 0 DIADHM CC(C)(C)OC(=O)c1cccc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001175545181 1048334007 /nfs/dbraw/zinc/33/40/07/1048334007.db2.gz GERSMPWDGCGLHX-UHFFFAOYSA-N -1 3 317.389 4.066 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001175544433 1048334416 /nfs/dbraw/zinc/33/44/16/1048334416.db2.gz IASPDLKNKYSQGZ-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM Cc1ccc2n[nH]cc2c1Nc1cccc([O-])c1Br ZINC001175527920 1048357948 /nfs/dbraw/zinc/35/79/48/1048357948.db2.gz WWTXESMMIVERNX-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM CCCCOc1c(Cl)cc([N-]c2nnco2)cc1Cl ZINC001187415698 1048395975 /nfs/dbraw/zinc/39/59/75/1048395975.db2.gz BACQOXHKMQRSLD-UHFFFAOYSA-N -1 3 302.161 4.299 20 0 DIADHM O=C(NCCCCCc1ccccc1)c1cc([O-])ccc1Cl ZINC000555814344 1048445355 /nfs/dbraw/zinc/44/53/55/1048445355.db2.gz KYSFKJCISCBYRG-UHFFFAOYSA-N -1 3 317.816 4.188 20 0 DIADHM CSc1cccc(NC(=O)Nc2c([O-])cccc2Cl)c1 ZINC001188047430 1048463831 /nfs/dbraw/zinc/46/38/31/1048463831.db2.gz GKANTLJJFFWGOI-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM CCOc1ccccc1NC(=O)Nc1c([O-])cccc1Cl ZINC001202148093 1048464018 /nfs/dbraw/zinc/46/40/18/1048464018.db2.gz SRZRJHPMQSBMFI-UHFFFAOYSA-N -1 3 306.749 4.088 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Nc1ccccc1C(F)(F)F ZINC001202168139 1048470280 /nfs/dbraw/zinc/47/02/80/1048470280.db2.gz VBUALEOBOAMTAU-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1[O-] ZINC001202262826 1048495121 /nfs/dbraw/zinc/49/51/21/1048495121.db2.gz GFOCNSVRUFABKW-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM Cc1nnc(-c2cccc(Nc3nc4c(cccc4[O-])s3)c2)o1 ZINC001175988196 1048519737 /nfs/dbraw/zinc/51/97/37/1048519737.db2.gz DRCCARXGFXQOAN-UHFFFAOYSA-N -1 3 324.365 4.104 20 0 DIADHM [O-]c1cccc2sc(Nc3ccccc3OC(F)F)nc21 ZINC001176008375 1048531404 /nfs/dbraw/zinc/53/14/04/1048531404.db2.gz QPMAKAZAWXJHNT-UHFFFAOYSA-N -1 3 308.309 4.347 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001188646362 1048534693 /nfs/dbraw/zinc/53/46/93/1048534693.db2.gz CMTJPTFSZLJRKL-KRWDZBQOSA-N -1 3 320.392 4.159 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001188638184 1048539105 /nfs/dbraw/zinc/53/91/05/1048539105.db2.gz IMRIDJQNPWCZGH-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc(Cl)cc1NC(=O)Nc1ncc([O-])cc1Cl ZINC001188706144 1048545520 /nfs/dbraw/zinc/54/55/20/1048545520.db2.gz MQLUMZVVGCAKEC-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM CC(C)(C)c1nnc([N-]c2cccc(OC3CCCC3)c2)o1 ZINC001176097094 1048553056 /nfs/dbraw/zinc/55/30/56/1048553056.db2.gz HWUBSSIXLBPAPS-UHFFFAOYSA-N -1 3 301.390 4.432 20 0 DIADHM Cc1c(F)cccc1NC(=O)[N-]c1cc(-c2cccs2)no1 ZINC001189024248 1048584098 /nfs/dbraw/zinc/58/40/98/1048584098.db2.gz PAQYSTIDEBRJBS-UHFFFAOYSA-N -1 3 317.345 4.495 20 0 DIADHM Cc1c([O-])ccc2c(CSc3ccccc3F)cc(=O)oc12 ZINC000006402068 1048586845 /nfs/dbraw/zinc/58/68/45/1048586845.db2.gz IZHORXOVGXDDBQ-UHFFFAOYSA-N -1 3 316.353 4.238 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(-c2cccs2)on1 ZINC001189192063 1048599827 /nfs/dbraw/zinc/59/98/27/1048599827.db2.gz KMUNAZNVRWTHIJ-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM CCC(C)(C)c1ccc(CSc2ncc(C(=O)OC)[n-]2)cc1 ZINC001189166612 1048603439 /nfs/dbraw/zinc/60/34/39/1048603439.db2.gz STFBCZRFEZPQCU-UHFFFAOYSA-N -1 3 318.442 4.176 20 0 DIADHM CCc1cc2c(CSCC=C(C)C)cc(=O)oc2cc1[O-] ZINC001189247034 1048605768 /nfs/dbraw/zinc/60/57/68/1048605768.db2.gz ZTSOPXBOVMRSIJ-UHFFFAOYSA-N -1 3 304.411 4.260 20 0 DIADHM [O-]c1cccc(Nc2cncc(C3CC3)c2)c1Br ZINC001176287335 1048618680 /nfs/dbraw/zinc/61/86/80/1048618680.db2.gz QXZCLLNDMXVARY-UHFFFAOYSA-N -1 3 305.175 4.171 20 0 DIADHM O=C([N-]c1cc(-c2ccccc2Cl)no1)Nc1nccs1 ZINC001189344104 1048620629 /nfs/dbraw/zinc/62/06/29/1048620629.db2.gz BLUBWRBSNGSTFI-UHFFFAOYSA-N -1 3 320.761 4.096 20 0 DIADHM CC(C)(C)c1ccccc1NC(=O)Nc1cc(F)ccc1[O-] ZINC001189591504 1048639495 /nfs/dbraw/zinc/63/94/95/1048639495.db2.gz RMRKIODUSQIYOM-UHFFFAOYSA-N -1 3 302.349 4.473 20 0 DIADHM CCc1c2ccccc2oc1C(=O)[N-]c1ncccc1SC ZINC001164569356 1048644962 /nfs/dbraw/zinc/64/49/62/1048644962.db2.gz RNZGRDOTMAJIEQ-UHFFFAOYSA-N -1 3 312.394 4.364 20 0 DIADHM CCc1cccc(C(=O)NC2(c3ccc(C)cc3)CCC2)c1[O-] ZINC001164590288 1048646730 /nfs/dbraw/zinc/64/67/30/1048646730.db2.gz OZDHHJIRQJXGCG-UHFFFAOYSA-N -1 3 309.409 4.072 20 0 DIADHM O=c1cc(CSc2ccc(Cl)c(F)c2)nc(C2CC2)[n-]1 ZINC001189676450 1048647994 /nfs/dbraw/zinc/64/79/94/1048647994.db2.gz JHBOIJCYASVLOM-UHFFFAOYSA-N -1 3 310.781 4.144 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3ccn(C(F)F)c3c2)c([O-])c1 ZINC001165668125 1048707176 /nfs/dbraw/zinc/70/71/76/1048707176.db2.gz WQTGZFSJHYQERV-UHFFFAOYSA-N -1 3 316.307 4.303 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccc(N2CCCCC2)cc1 ZINC001203717688 1048712926 /nfs/dbraw/zinc/71/29/26/1048712926.db2.gz LKOHIPOFNPWKIN-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM CC[C@@H](C)CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001165771247 1048715806 /nfs/dbraw/zinc/71/58/06/1048715806.db2.gz WGWFULJDISRBNR-CQSZACIVSA-N -1 3 313.397 4.351 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC001165885941 1048722650 /nfs/dbraw/zinc/72/26/50/1048722650.db2.gz QXWGWGZLWCWTEP-KBPBESRZSA-N -1 3 303.446 4.318 20 0 DIADHM O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cncc([O-])c1 ZINC001190400277 1048730359 /nfs/dbraw/zinc/73/03/59/1048730359.db2.gz UDXONPABCJEXIH-UHFFFAOYSA-N -1 3 321.336 4.224 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2SC)c1 ZINC001166241781 1048741983 /nfs/dbraw/zinc/74/19/83/1048741983.db2.gz VFQRPQMVBZOJGS-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190511553 1048746298 /nfs/dbraw/zinc/74/62/98/1048746298.db2.gz GJDUUSOQVSZIQR-UHFFFAOYSA-N -1 3 319.401 4.121 20 0 DIADHM O=c1cc(CSC[C@@H]2C[C@H]3C[C@H]3C2)nc(-c2ccccc2)[n-]1 ZINC001166588486 1048766552 /nfs/dbraw/zinc/76/65/52/1048766552.db2.gz XNSFLTSGCXZZAH-YOWGUQMCSA-N -1 3 312.438 4.129 20 0 DIADHM O=C(OCC[C@@H]1CC1(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000851384593 1048774586 /nfs/dbraw/zinc/77/45/86/1048774586.db2.gz CFIQMOVGCQJIQP-SSDOTTSWSA-N -1 3 305.733 4.085 20 0 DIADHM Cc1cccc(CNC(=O)Nc2c([O-])cccc2C(F)(F)F)c1 ZINC001191001383 1048816884 /nfs/dbraw/zinc/81/68/84/1048816884.db2.gz LNVFXURQBMVLJD-UHFFFAOYSA-N -1 3 324.302 4.041 20 0 DIADHM O=C(NCc1cscc1Cl)c1cc2sccc2c([O-])c1 ZINC001178012899 1048974430 /nfs/dbraw/zinc/97/44/30/1048974430.db2.gz CEPRYBBTKQPANV-UHFFFAOYSA-N -1 3 323.826 4.252 20 0 DIADHM CCCc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)ccc1F ZINC001191982630 1049021949 /nfs/dbraw/zinc/02/19/49/1049021949.db2.gz HDKBHDVPCHBMFG-UHFFFAOYSA-N -1 3 307.752 4.390 20 0 DIADHM CC(C)c1ccccc1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001192225187 1049064866 /nfs/dbraw/zinc/06/48/66/1049064866.db2.gz DPDZGUDIMSWGQA-UHFFFAOYSA-N -1 3 313.279 4.461 20 0 DIADHM CC(C)(C)c1ccc(C(=O)N2CCCC[C@](C)(F)C2)c([O-])c1 ZINC001192314974 1049074865 /nfs/dbraw/zinc/07/48/65/1049074865.db2.gz WAFNHFHOIKGJFE-SFHVURJKSA-N -1 3 307.409 4.044 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000857444152 1049149448 /nfs/dbraw/zinc/14/94/48/1049149448.db2.gz YLDOQWHRURXBPI-UHFFFAOYSA-N -1 3 323.367 4.280 20 0 DIADHM CC1(C)CC(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000857474168 1049157218 /nfs/dbraw/zinc/15/72/18/1049157218.db2.gz UUVGCCKHWZPZIL-UHFFFAOYSA-N -1 3 315.335 4.080 20 0 DIADHM O=C(CC1CCCCC1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000857472910 1049158111 /nfs/dbraw/zinc/15/81/11/1049158111.db2.gz HVVYXZOBGCFNGX-UHFFFAOYSA-N -1 3 315.335 4.224 20 0 DIADHM Cc1ccc(NC(=O)N[C@@H]2CCc3ccccc32)c(Cl)c1[O-] ZINC001192995612 1049158700 /nfs/dbraw/zinc/15/87/00/1049158700.db2.gz OIKZIDGEGFTERC-CYBMUJFWSA-N -1 3 316.788 4.163 20 0 DIADHM O=C(CC1CCC(c2ccccc2)CC1)[N-]OC1CCCC1 ZINC000857481197 1049160708 /nfs/dbraw/zinc/16/07/08/1049160708.db2.gz XOTQGHBQNOBLLH-UHFFFAOYSA-N -1 3 301.430 4.341 20 0 DIADHM CC(C)c1cncc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001179684345 1049191743 /nfs/dbraw/zinc/19/17/43/1049191743.db2.gz FCXYYDKDQOUDQL-UHFFFAOYSA-N -1 3 316.376 4.011 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(C)Cc1c(F)ccc([O-])c1F ZINC001204616342 1049200136 /nfs/dbraw/zinc/20/01/36/1049200136.db2.gz USXHAAKYHNYJNF-AWEZNQCLSA-N -1 3 305.368 4.124 20 0 DIADHM C[C@H](CCCC(C)(C)C(=O)[O-])N[C@@H](C)c1c(F)cccc1F ZINC000905726882 1049245136 /nfs/dbraw/zinc/24/51/36/1049245136.db2.gz JDYPXPRWEDGWAX-NEPJUHHUSA-N -1 3 313.388 4.285 20 0 DIADHM CC(C)(C)C1=CCN(Cc2cccc([O-])c2Br)CC1 ZINC001180121596 1049292407 /nfs/dbraw/zinc/29/24/07/1049292407.db2.gz TWNOXMHQMBPMRE-UHFFFAOYSA-N -1 3 324.262 4.333 20 0 DIADHM CN(Cc1ccc([O-])c(F)c1F)[C@H]1CCCc2ccccc21 ZINC001205093414 1049372638 /nfs/dbraw/zinc/37/26/38/1049372638.db2.gz DQWRISSUYZGZSA-HNNXBMFYSA-N -1 3 303.352 4.180 20 0 DIADHM CC(C)c1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000486000879 1049373459 /nfs/dbraw/zinc/37/34/59/1049373459.db2.gz NINXCGBSTWQWCW-VMPITWQZSA-N -1 3 317.392 4.126 20 0 DIADHM O=c1cc(C=Cc2csc(Br)c2)nc(C2CC2)[n-]1 ZINC000486075852 1049384333 /nfs/dbraw/zinc/38/43/33/1049384333.db2.gz NSKJRTZYERXGLH-DAFODLJHSA-N -1 3 323.215 4.054 20 0 DIADHM O=c1cc(C=Cc2csc(-c3ccccc3)n2)nc(C2CC2)[n-]1 ZINC000486100973 1049388065 /nfs/dbraw/zinc/38/80/65/1049388065.db2.gz HKOHPQLXHNXVDZ-CMDGGOBGSA-N -1 3 321.405 4.354 20 0 DIADHM Cc1ccc(-c2ncc(C=Cc3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000486173402 1049395459 /nfs/dbraw/zinc/39/54/59/1049395459.db2.gz MNTWPDPESXGBEI-FPLPWBNLSA-N -1 3 309.394 4.093 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(Cl)cc1C ZINC001194642439 1049403136 /nfs/dbraw/zinc/40/31/36/1049403136.db2.gz FJGAIUSRJAVUSY-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM C[C@H](NCc1ccc([O-])c(F)c1F)c1cc2ccccc2o1 ZINC001180908796 1049417009 /nfs/dbraw/zinc/41/70/09/1049417009.db2.gz ZZEFSYLWLSIUKA-JTQLQIEISA-N -1 3 303.308 4.267 20 0 DIADHM CCOc1ccc(NCc2ccc([O-])c(F)c2)c2ncccc12 ZINC001205254139 1049418466 /nfs/dbraw/zinc/41/84/66/1049418466.db2.gz UETXOVPAMFWEPU-UHFFFAOYSA-N -1 3 312.344 4.090 20 0 DIADHM CCC(CC)COC(=O)Nc1c([O-])cccc1C(F)(F)F ZINC001194709821 1049419317 /nfs/dbraw/zinc/41/93/17/1049419317.db2.gz ZNOVMERLLWDIJX-UHFFFAOYSA-N -1 3 305.296 4.396 20 0 DIADHM CC[C@@H](C)c1ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc1 ZINC001194770874 1049428102 /nfs/dbraw/zinc/42/81/02/1049428102.db2.gz RFFAGHJVKBLFSQ-SECBINFHSA-N -1 3 311.307 4.194 20 0 DIADHM O=C(Nc1c([O-])cccc1C(F)(F)F)Oc1ccc(F)cc1 ZINC001195039947 1049465681 /nfs/dbraw/zinc/46/56/81/1049465681.db2.gz JOWBGGAUHBBQBN-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000773933800 1049496943 /nfs/dbraw/zinc/49/69/43/1049496943.db2.gz ZUMANKPLUGRIAC-CQSZACIVSA-N -1 3 301.411 4.012 20 0 DIADHM COc1ccccc1OC(=O)Nc1c([O-])ccc2ccccc21 ZINC001195265518 1049503615 /nfs/dbraw/zinc/50/36/15/1049503615.db2.gz WEEDUMMALRVEFI-UHFFFAOYSA-N -1 3 309.321 4.165 20 0 DIADHM Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2)c(Cl)c1[O-] ZINC001202507595 1049516657 /nfs/dbraw/zinc/51/66/57/1049516657.db2.gz XMAQHAOYMIWREX-NSHDSACASA-N -1 3 304.777 4.237 20 0 DIADHM CC[C@@H](CC(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC001181829725 1049527382 /nfs/dbraw/zinc/52/73/82/1049527382.db2.gz CHKNQDUKTVFJFL-JTQLQIEISA-N -1 3 314.223 4.166 20 0 DIADHM C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc([O-])c(F)c2F)C1 ZINC001205736710 1049548004 /nfs/dbraw/zinc/54/80/04/1049548004.db2.gz XPNMPDBTCZZMFL-WFASDCNBSA-N -1 3 303.352 4.254 20 0 DIADHM Cc1ccc(-c2ccc(C)cc2C(=O)Nc2ncccc2[O-])cc1 ZINC001195684924 1049553776 /nfs/dbraw/zinc/55/37/76/1049553776.db2.gz UQYROUDWJDKOBX-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM COCc1ccc(NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000774093555 1049599775 /nfs/dbraw/zinc/59/97/75/1049599775.db2.gz ATBHJXZZIPZRHR-UHFFFAOYSA-N -1 3 313.378 4.006 20 0 DIADHM CSc1ccc(C(F)(F)F)nc1-c1ccc([O-])cc1F ZINC001206029908 1049634445 /nfs/dbraw/zinc/63/44/45/1049634445.db2.gz KOINCHYBMXSCSV-UHFFFAOYSA-N -1 3 303.280 4.334 20 0 DIADHM C[C@H]1CCc2c(sc3ncnc(-c4ccc([O-])cc4F)c23)C1 ZINC001206029730 1049634759 /nfs/dbraw/zinc/63/47/59/1049634759.db2.gz HGHTWQZOYAXFMB-VIFPVBQESA-N -1 3 314.385 4.328 20 0 DIADHM [O-]c1ccc(-c2ncnc3ccc(C(F)(F)F)cc32)c(F)c1 ZINC001206029731 1049634811 /nfs/dbraw/zinc/63/48/11/1049634811.db2.gz HGKXTMCPJVXPTJ-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1ccc(-c2ncnc3scc(-c4ccco4)c32)c(F)c1 ZINC001206044444 1049639262 /nfs/dbraw/zinc/63/92/62/1049639262.db2.gz LORAMEHAYXNDNY-UHFFFAOYSA-N -1 3 312.325 4.463 20 0 DIADHM [O-]c1ccc(-c2nc(-c3cccnc3)nc3sccc32)c(F)c1 ZINC001206045055 1049639274 /nfs/dbraw/zinc/63/92/74/1049639274.db2.gz YJTLHQVMLWAAHC-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM CC(C)(C)[C@H]1CCc2nnc(-c3ccc([O-])cc3F)cc2C1 ZINC001206045019 1049639781 /nfs/dbraw/zinc/63/97/81/1049639781.db2.gz WLCFKZLHIIQCQC-LBPRGKRZSA-N -1 3 300.377 4.139 20 0 DIADHM [O-]c1ccc(-c2ccc(O[C@H]3CCCCO3)cc2F)c(F)c1 ZINC001206089068 1049650721 /nfs/dbraw/zinc/65/07/21/1049650721.db2.gz UMOTUTADIMLTOZ-KRWDZBQOSA-N -1 3 306.308 4.243 20 0 DIADHM Cc1cc(N(C)C)ncc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001206748380 1049791029 /nfs/dbraw/zinc/79/10/29/1049791029.db2.gz GHNVGFFMYHPNCJ-UHFFFAOYSA-N -1 3 312.200 4.212 20 0 DIADHM O=C(c1cccc(F)c1Nc1cc([O-])cc(F)c1)C(F)(F)F ZINC001208621666 1049997718 /nfs/dbraw/zinc/99/77/18/1049997718.db2.gz SGCRFYVDPJZGLP-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 ZINC000572206094 1049999010 /nfs/dbraw/zinc/99/90/10/1049999010.db2.gz FJEFFBRBWGLKRX-WBVHZDCISA-N -1 3 323.436 4.281 20 0 DIADHM CC(=O)c1c(C)[nH]c(-c2csc(-c3ccccc3[O-])n2)c1C ZINC000068479940 1050024214 /nfs/dbraw/zinc/02/42/14/1050024214.db2.gz NUIQGZRHWFWDTH-UHFFFAOYSA-N -1 3 312.394 4.330 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000589703161 1050056006 /nfs/dbraw/zinc/05/60/06/1050056006.db2.gz LCUQILXDJKOGTM-GOSISDBHSA-N -1 3 323.436 4.365 20 0 DIADHM CC(C)(C)c1nnc([N-]c2cccc(OCC(F)(F)F)c2)o1 ZINC001212161897 1050072589 /nfs/dbraw/zinc/07/25/89/1050072589.db2.gz GSEKLZMHFYHVFF-UHFFFAOYSA-N -1 3 315.295 4.052 20 0 DIADHM COc1ccc(C)c(Nc2cccc([O-])c2Br)c1 ZINC001209841628 1050093796 /nfs/dbraw/zinc/09/37/96/1050093796.db2.gz YTMFFSFYSOPRJT-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(O)c(C(F)(F)F)c2)cc1F ZINC001209988167 1050118121 /nfs/dbraw/zinc/11/81/21/1050118121.db2.gz YROUJBJRRUKESH-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1ccc(Nc2ccc3c(c2)OCCCO3)c(Cl)c1[O-] ZINC001210002651 1050120830 /nfs/dbraw/zinc/12/08/30/1050120830.db2.gz ADYGUNDIEYMXAI-UHFFFAOYSA-N -1 3 305.761 4.259 20 0 DIADHM [O-]c1cccc(NC2=CCC(F)(F)CC2)c1Br ZINC001210036691 1050127051 /nfs/dbraw/zinc/12/70/51/1050127051.db2.gz VTXYBNDLYZXYQO-UHFFFAOYSA-N -1 3 304.134 4.270 20 0 DIADHM CN(CC[C@H](C(=O)[O-])c1ccccc1)Cc1ccccc1Cl ZINC000573097862 1050134206 /nfs/dbraw/zinc/13/42/06/1050134206.db2.gz QOCREMJZWHKQEF-INIZCTEOSA-N -1 3 317.816 4.030 20 0 DIADHM CC(C)c1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC001136781019 1050156544 /nfs/dbraw/zinc/15/65/44/1050156544.db2.gz CZZLLGKDYUIHIJ-UHFFFAOYSA-N -1 3 316.426 4.103 20 0 DIADHM Cc1cnc(Br)c(Nc2cccc(Cl)c2[O-])c1 ZINC001210215280 1050161645 /nfs/dbraw/zinc/16/16/45/1050161645.db2.gz CINGZVFTVZWUMT-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1nc(-c2ccncc2)cs1 ZINC001210217004 1050161757 /nfs/dbraw/zinc/16/17/57/1050161757.db2.gz QDOPPPVALPXZDO-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM Cc1cc(Nc2cccc(Cl)c2[O-])ncc1Br ZINC001210216574 1050161798 /nfs/dbraw/zinc/16/17/98/1050161798.db2.gz LDYQLWPWHCRJLE-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1cc(Br)ncc1Nc1cccc(Cl)c1[O-] ZINC001210216101 1050162093 /nfs/dbraw/zinc/16/20/93/1050162093.db2.gz QQOLILORJAJFLM-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM CC(=O)c1oc2cccnc2c1Nc1cccc(Cl)c1[O-] ZINC001210218699 1050163023 /nfs/dbraw/zinc/16/30/23/1050163023.db2.gz BOOAEEIPPLTFTK-UHFFFAOYSA-N -1 3 302.717 4.133 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnnc2ccc(Cl)cc21 ZINC001210221245 1050163485 /nfs/dbraw/zinc/16/34/85/1050163485.db2.gz ZPECYRUVWOGBTB-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnccc1OC(F)(F)F ZINC001210218800 1050163528 /nfs/dbraw/zinc/16/35/28/1050163528.db2.gz DJMGZUPUMWRLCY-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM COC(=O)c1ccc(Nc2cccc(Cl)c2[O-])c(Cl)c1 ZINC001210223039 1050165459 /nfs/dbraw/zinc/16/54/59/1050165459.db2.gz IHAWJTHDNWOGGC-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM Cc1noc(-c2ccc(Nc3cccc(Cl)c3[O-])cc2)n1 ZINC001210223172 1050165914 /nfs/dbraw/zinc/16/59/14/1050165914.db2.gz MTMUIBZDXVAHGV-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM COc1ccc2cc(Nc3cccc(Cl)c3[O-])ccc2n1 ZINC001210222924 1050166384 /nfs/dbraw/zinc/16/63/84/1050166384.db2.gz DDDHDWUKOJLRPK-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM Cc1cc([N-]c2nnc(-c3ccco3)o2)ccc1C(F)(F)F ZINC001210304372 1050198596 /nfs/dbraw/zinc/19/85/96/1050198596.db2.gz UKQCWPJVYFCKMV-UHFFFAOYSA-N -1 3 309.247 4.400 20 0 DIADHM CC(C)n1ccc([N-]c2cc(-c3ccc(F)c(F)c3)no2)n1 ZINC001210335092 1050210177 /nfs/dbraw/zinc/21/01/77/1050210177.db2.gz FLYCJSCAHVSPLS-UHFFFAOYSA-N -1 3 304.300 4.141 20 0 DIADHM CCCCN(CC)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000058205528 1050214123 /nfs/dbraw/zinc/21/41/23/1050214123.db2.gz JWLHTWXRSXZSHG-UHFFFAOYSA-N -1 3 310.511 4.143 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)c([O-])c1 ZINC001136884738 1050214880 /nfs/dbraw/zinc/21/48/80/1050214880.db2.gz REUUGUIRQIXPSW-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCCCCC2CCCC2)c1 ZINC001137029289 1050301104 /nfs/dbraw/zinc/30/11/04/1050301104.db2.gz DGDMGIXARGGNJY-UHFFFAOYSA-N -1 3 307.459 4.204 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001137029897 1050303750 /nfs/dbraw/zinc/30/37/50/1050303750.db2.gz NPCNYMCRSATFGE-LIRRHRJNSA-N -1 3 309.409 4.349 20 0 DIADHM [O-]c1cc(Cl)c(Nc2cncc(N3CCCC3)c2)cc1Cl ZINC001210610350 1050313871 /nfs/dbraw/zinc/31/38/71/1050313871.db2.gz ZTVRRGRGIGWSJS-UHFFFAOYSA-N -1 3 324.211 4.438 20 0 DIADHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001143703676 1050341263 /nfs/dbraw/zinc/34/12/63/1050341263.db2.gz QBBIDDQHPODJEO-WFASDCNBSA-N -1 3 307.459 4.203 20 0 DIADHM CCOC(=O)c1nc([N-]c2cc3cc(F)ccc3o2)sc1C ZINC001210725603 1050350497 /nfs/dbraw/zinc/35/04/97/1050350497.db2.gz VPZPJTUJXPIODJ-UHFFFAOYSA-N -1 3 320.345 4.257 20 0 DIADHM [O-]c1cccc(Nc2ncc(Br)cc2F)c1Cl ZINC001210851799 1050390192 /nfs/dbraw/zinc/39/01/92/1050390192.db2.gz LBTQGHIEJSFGAE-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001143891846 1050392515 /nfs/dbraw/zinc/39/25/15/1050392515.db2.gz VDEIZCDJBPXFSE-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM [O-]c1cccc(Nc2cccnc2OC(F)(F)F)c1Cl ZINC001210854801 1050392804 /nfs/dbraw/zinc/39/28/04/1050392804.db2.gz AAQKNAACQOVLNE-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM CC(C)(C)c1nc2ccc(Nc3cccc([O-])c3Cl)cn2n1 ZINC001210855210 1050393170 /nfs/dbraw/zinc/39/31/70/1050393170.db2.gz KOMOCOIDOIBBBS-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1cccc(Nc2ccc(OC3CCOCC3)cc2)c1Cl ZINC001210859237 1050393401 /nfs/dbraw/zinc/39/34/01/1050393401.db2.gz CDDATUHOBRTPHB-UHFFFAOYSA-N -1 3 319.788 4.347 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)c(Cl)c(OC)c1 ZINC001210859410 1050394638 /nfs/dbraw/zinc/39/46/38/1050394638.db2.gz FXIKINGIDQJSPK-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM COc1cnc2c(cccc2Nc2cccc([O-])c2Cl)c1 ZINC001210860562 1050394847 /nfs/dbraw/zinc/39/48/47/1050394847.db2.gz YGJUDVYYONLLBI-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM CC1(C)NC(=O)Nc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210859782 1050394929 /nfs/dbraw/zinc/39/49/29/1050394929.db2.gz NZNYXTOAJULWQW-UHFFFAOYSA-N -1 3 317.776 4.159 20 0 DIADHM CO[C@@H]1CCOc2c(Nc3cccc([O-])c3Cl)cccc21 ZINC001210860557 1050395605 /nfs/dbraw/zinc/39/56/05/1050395605.db2.gz XYVDDOSKFOQIOR-CQSZACIVSA-N -1 3 305.761 4.259 20 0 DIADHM Cc1cn2cc(Nc3cc(Cl)c([O-])c(Cl)c3)ccc2n1 ZINC001210926518 1050415864 /nfs/dbraw/zinc/41/58/64/1050415864.db2.gz LHUZYHXPZJUMOU-UHFFFAOYSA-N -1 3 308.168 4.399 20 0 DIADHM CC(=Nc1ccc(-c2ccc(N)c(O)c2)cc1[O-])c1ccccc1 ZINC001210991467 1050440128 /nfs/dbraw/zinc/44/01/28/1050440128.db2.gz WFRLULUBZZNODM-UHFFFAOYSA-N -1 3 318.376 4.430 20 0 DIADHM Cc1nc(C)c(COC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000786130159 1050457463 /nfs/dbraw/zinc/45/74/63/1050457463.db2.gz BDKSJDIOZQZNJO-UHFFFAOYSA-N -1 3 319.407 4.037 20 0 DIADHM CSc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001211108698 1050477235 /nfs/dbraw/zinc/47/72/35/1050477235.db2.gz YAXFATANSUFHJZ-UHFFFAOYSA-N -1 3 315.373 4.183 20 0 DIADHM CCOC(=O)c1cccc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001211205989 1050518383 /nfs/dbraw/zinc/51/83/83/1050518383.db2.gz XUUWAFVQAOOGOR-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM 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[O-]c1cc(Nc2ccnn2Cc2ccccc2F)ccc1Cl ZINC001212588460 1051578399 /nfs/dbraw/zinc/57/83/99/1051578399.db2.gz QIMOCSDWNVUYRB-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM COC(=O)c1oc2ccccc2c1Nc1ccc(Cl)c([O-])c1 ZINC001212589631 1051592545 /nfs/dbraw/zinc/59/25/45/1051592545.db2.gz WDMSSWHQVZVCOG-UHFFFAOYSA-N -1 3 317.728 4.322 20 0 DIADHM CCN(CC)c1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001216181461 1051615998 /nfs/dbraw/zinc/61/59/98/1051615998.db2.gz SNUNZQSUKDMPAS-UHFFFAOYSA-N -1 3 306.385 4.096 20 0 DIADHM Cc1cnn(-c2ccccc2F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212590266 1051617098 /nfs/dbraw/zinc/61/70/98/1051617098.db2.gz DIICPNRGCLBNRX-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(C)(C)c1nnc2ccc(Nc3ccc(Cl)c([O-])c3)cn21 ZINC001212590390 1051619959 /nfs/dbraw/zinc/61/99/59/1051619959.db2.gz KJFBOCWHXXDXFN-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1cc(Nc2cccnc2OC(F)(F)F)ccc1Cl ZINC001212590575 1051626675 /nfs/dbraw/zinc/62/66/75/1051626675.db2.gz SLNLVWCQNZJQFA-UHFFFAOYSA-N -1 3 304.655 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Cc1ccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)cc1C ZINC001217441161 1052056773 /nfs/dbraw/zinc/05/67/73/1052056773.db2.gz HUFBPBBBSDBXBJ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cc(F)ccc1-c1noc(-c2ccc([O-])c3ncccc23)n1 ZINC001217493454 1052073951 /nfs/dbraw/zinc/07/39/51/1052073951.db2.gz UNYZEWGKXIOJLI-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCc1ccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)cc1 ZINC001217491990 1052074796 /nfs/dbraw/zinc/07/47/96/1052074796.db2.gz OJYLNDWDZAAVRP-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CCOc1ccc(NCc2cccc([O-])c2Br)cc1 ZINC000314962078 1052327183 /nfs/dbraw/zinc/32/71/83/1052327183.db2.gz BPPSJVRLPJHCFI-UHFFFAOYSA-N -1 3 322.202 4.166 20 0 DIADHM CCOc1ccccc1NCc1cccc([O-])c1Br ZINC000315281655 1052335340 /nfs/dbraw/zinc/33/53/40/1052335340.db2.gz UMBBWPBGDXDVCD-UHFFFAOYSA-N -1 3 322.202 4.166 20 0 DIADHM C/C(=C/C(=O)Nc1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000762318028 1052365719 /nfs/dbraw/zinc/36/57/19/1052365719.db2.gz ZTCXTZDMURHWJD-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1)c1cc([O-])ccc1Cl ZINC000236557843 1052426326 /nfs/dbraw/zinc/42/63/26/1052426326.db2.gz CUUHIRUYPXDTSD-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000763212288 1052543020 /nfs/dbraw/zinc/54/30/20/1052543020.db2.gz JSRRCCYJXNTWLD-VIFPVBQESA-N -1 3 312.797 4.278 20 0 DIADHM Cc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)c([O-])c1 ZINC000916436554 1052609159 /nfs/dbraw/zinc/60/91/59/1052609159.db2.gz CTJLMFANOUWJAW-UHFFFAOYSA-N -1 3 301.430 4.133 20 0 DIADHM O=C(Oc1c(F)c(F)cc(F)c1F)c1cc2ccsc2[n-]1 ZINC000916865806 1052662472 /nfs/dbraw/zinc/66/24/72/1052662472.db2.gz HQWKHPKBUMATFQ-UHFFFAOYSA-N -1 3 315.247 4.005 20 0 DIADHM CCSCc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128401930 1052722940 /nfs/dbraw/zinc/72/29/40/1052722940.db2.gz KCVLKWUGKRGCKD-UHFFFAOYSA-N -1 3 305.374 4.037 20 0 DIADHM CC(C)(C)O[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128451970 1052726623 /nfs/dbraw/zinc/72/66/23/1052726623.db2.gz BPBQHNACHUOQPK-INIZCTEOSA-N -1 3 317.360 4.026 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2cccc(F)c2)CCCC1 ZINC000129065257 1052773563 /nfs/dbraw/zinc/77/35/63/1052773563.db2.gz BPJQWQQXCDHUND-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM CC[C@@H](Oc1ccc2c([O-])coc2c1)c1cccc(F)c1C ZINC001225341821 1052776726 /nfs/dbraw/zinc/77/67/26/1052776726.db2.gz DLZGIEFAOFOLBF-QGZVFWFLSA-N -1 3 300.329 4.239 20 0 DIADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1c(Cl)cncc1Cl ZINC001225342530 1052777368 /nfs/dbraw/zinc/77/73/68/1052777368.db2.gz KKNOXJUEZRBDHD-MRVPVSSYSA-N -1 3 324.163 4.104 20 0 DIADHM Cc1cccc(OCCCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000069693326 1052798876 /nfs/dbraw/zinc/79/88/76/1052798876.db2.gz PFUYCKCTXWUQOK-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM O=C1CCc2c1cccc2OC(=C([O-])c1ccco1)c1ccco1 ZINC001225619025 1052809086 /nfs/dbraw/zinc/80/90/86/1052809086.db2.gz XIKAMLXSFTYOGL-LJQANCHMSA-N -1 3 322.316 4.005 20 0 DIADHM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129733982 1052810349 /nfs/dbraw/zinc/81/03/49/1052810349.db2.gz ICZVRTSPRKDNEK-MRXNPFEDSA-N -1 3 319.401 4.287 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1cc2ccccc2s1 ZINC001225743456 1052824710 /nfs/dbraw/zinc/82/47/10/1052824710.db2.gz XPPKUXIHLXJJGP-SNVBAGLBSA-N -1 3 302.424 4.428 20 0 DIADHM Cc1ccc([C@@H](C)Oc2cc(C(F)(F)F)nc(=S)[n-]2)cc1 ZINC001225852341 1052839279 /nfs/dbraw/zinc/83/92/79/1052839279.db2.gz GKELETAHEAPQPS-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001225993149 1052856383 /nfs/dbraw/zinc/85/63/83/1052856383.db2.gz FBRVLBWMTBIRHI-OAHLLOKOSA-N -1 3 310.271 4.277 20 0 DIADHM CC(=O)c1ccc([O-])c(OCc2ccc(OC(C)C)c(C)c2)c1 ZINC001225995363 1052856453 /nfs/dbraw/zinc/85/64/53/1052856453.db2.gz QIBXVZGGRNRUQY-UHFFFAOYSA-N -1 3 314.381 4.269 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccccc3F)n[n-]2)o1 ZINC000919323838 1052863312 /nfs/dbraw/zinc/86/33/12/1052863312.db2.gz BRKJQFHQUKERCF-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3ccccc3F)[n-]n2)o1 ZINC000919323838 1052863315 /nfs/dbraw/zinc/86/33/15/1052863315.db2.gz BRKJQFHQUKERCF-LLVKDONJSA-N -1 3 314.316 4.035 20 0 DIADHM CC[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1F ZINC001226121070 1052870721 /nfs/dbraw/zinc/87/07/21/1052870721.db2.gz YNGWAJBFGQWUJN-CQSZACIVSA-N -1 3 304.390 4.312 20 0 DIADHM CCCCC[C@@H](Oc1[n-]c(=O)ncc1C(C)=O)c1ccccc1 ZINC001226238471 1052879676 /nfs/dbraw/zinc/87/96/76/1052879676.db2.gz SNRKIVGTJRJFOS-MRXNPFEDSA-N -1 3 314.385 4.085 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](c2ccccc2)C(C)C)c1O ZINC001226483656 1052901247 /nfs/dbraw/zinc/90/12/47/1052901247.db2.gz XTLALBFDTTWQAU-QGZVFWFLSA-N -1 3 300.354 4.077 20 0 DIADHM CC[C@@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226488060 1052901736 /nfs/dbraw/zinc/90/17/36/1052901736.db2.gz BNFRODMQCIWVEV-GFCCVEGCSA-N -1 3 310.349 4.343 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3C[C@H](C)C[C@H](C)C3)cc12 ZINC001226531711 1052907449 /nfs/dbraw/zinc/90/74/49/1052907449.db2.gz FSHVOYSIEMCRGV-PJXYFTJBSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1ccc([C@H](C)Oc2cc3c(C)cc(=O)oc3cc2[O-])cc1 ZINC001226531859 1052907574 /nfs/dbraw/zinc/90/75/74/1052907574.db2.gz IGIUOCPMLRKKRA-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@@H](C)CC[C@H]3C)cc12 ZINC001226531913 1052907821 /nfs/dbraw/zinc/90/78/21/1052907821.db2.gz JPLCGCHOGGPVKN-FIXISWKDSA-N -1 3 302.370 4.011 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226535744 1052908390 /nfs/dbraw/zinc/90/83/90/1052908390.db2.gz RFKCTSYAKBCNLY-DOMZBBRYSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H]3[C@H](C)CCC[C@@H]3C)cc12 ZINC001226533107 1052908482 /nfs/dbraw/zinc/90/84/82/1052908482.db2.gz ZDWJCNLZDOCYPJ-IHGORAQCSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(OC3[C@@H](C)CCC[C@@H]3C)cc12 ZINC001226533108 1052908557 /nfs/dbraw/zinc/90/85/57/1052908557.db2.gz ZDWJCNLZDOCYPJ-QWRGUYRKSA-N -1 3 302.370 4.011 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@H](c3ccccc3)C3CC3)c2o1 ZINC001226596697 1052913876 /nfs/dbraw/zinc/91/38/76/1052913876.db2.gz YYUZFEMADAYWHP-QGZVFWFLSA-N -1 3 308.333 4.029 20 0 DIADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1cccc(Cl)c1 ZINC001226599946 1052914776 /nfs/dbraw/zinc/91/47/76/1052914776.db2.gz PVLRTNWLUXSGIY-JTQLQIEISA-N -1 3 316.740 4.292 20 0 DIADHM CCC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1 ZINC001226600247 1052915112 /nfs/dbraw/zinc/91/51/12/1052915112.db2.gz VRISRKASZLFFHU-MRXNPFEDSA-N -1 3 310.349 4.419 20 0 DIADHM CCCCOC[C@H](C)OC[C@H](C)Oc1cccc([O-])c1Cl ZINC001226710250 1052923853 /nfs/dbraw/zinc/92/38/53/1052923853.db2.gz WPYXDXUBNALFFL-STQMWFEESA-N -1 3 316.825 4.035 20 0 DIADHM CCOC(=O)C[C@H](Oc1cccc([O-])c1Cl)c1ccccc1 ZINC001226713057 1052924587 /nfs/dbraw/zinc/92/45/87/1052924587.db2.gz YCKDSRHKSHCEDQ-HNNXBMFYSA-N -1 3 320.772 4.119 20 0 DIADHM Cc1ccc([C@H](Oc2cc(C)nc(=S)[n-]2)C(F)(F)F)cc1 ZINC001226797483 1052932288 /nfs/dbraw/zinc/93/22/88/1052932288.db2.gz BWAMTPMILPVIPI-LBPRGKRZSA-N -1 3 314.332 4.065 20 0 DIADHM COc1ccc2cc([C@@H](C)Oc3ccnc(=S)[n-]3)ccc2c1 ZINC001226940130 1052947132 /nfs/dbraw/zinc/94/71/32/1052947132.db2.gz OKVUGJITVWSIOD-LLVKDONJSA-N -1 3 312.394 4.067 20 0 DIADHM CCc1cnc(=S)[n-]c1O[C@H](C)c1csc(Cl)c1 ZINC001227062672 1052957911 /nfs/dbraw/zinc/95/79/11/1052957911.db2.gz YNVAQQMLEJYCBS-SSDOTTSWSA-N -1 3 300.836 4.183 20 0 DIADHM O=c1cc(O[C@@H]2CCc3cc(F)ccc32)[n-]c(C(F)(F)F)c1 ZINC001227582831 1053001810 /nfs/dbraw/zinc/00/18/10/1053001810.db2.gz GDXCDIKWDIWAJW-GFCCVEGCSA-N -1 3 313.250 4.011 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccc(F)c(F)c1 ZINC001227586165 1053002379 /nfs/dbraw/zinc/00/23/79/1053002379.db2.gz IWZPIIKNPSZFJB-SSDOTTSWSA-N -1 3 319.229 4.224 20 0 DIADHM Cc1ccc([C@H](Oc2ncc(Cl)cc2[O-])C(F)(F)F)cc1 ZINC001227980017 1053033081 /nfs/dbraw/zinc/03/30/81/1053033081.db2.gz JULBNZOPVJWSTB-LBPRGKRZSA-N -1 3 317.694 4.431 20 0 DIADHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1ccc2ccccc2c1 ZINC001227999578 1053035027 /nfs/dbraw/zinc/03/50/27/1053035027.db2.gz AWNFJNCPGKSHGS-GFCCVEGCSA-N -1 3 317.348 4.024 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)Cc1ccco1 ZINC001228135110 1053046155 /nfs/dbraw/zinc/04/61/55/1053046155.db2.gz VZTABZJGTFXNQR-GFCCVEGCSA-N -1 3 302.370 4.150 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)c1ncccc1F ZINC001228130457 1053046237 /nfs/dbraw/zinc/04/62/37/1053046237.db2.gz ARHPZWXWPDBFSX-LBPRGKRZSA-N -1 3 317.360 4.221 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CCC(F)(F)C2)c1 ZINC001228155673 1053048747 /nfs/dbraw/zinc/04/87/47/1053048747.db2.gz WEXLHNWUXRNRBV-AWEZNQCLSA-N -1 3 318.319 4.190 20 0 DIADHM CC(C)COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001212283847 1053060573 /nfs/dbraw/zinc/06/05/73/1053060573.db2.gz RBNLBCFPQXBBSY-UHFFFAOYSA-N -1 3 323.396 4.356 20 0 DIADHM Cc1cccc2c1CC[C@@H]2Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228629888 1053149486 /nfs/dbraw/zinc/14/94/86/1053149486.db2.gz OAALRNUEPFBWEP-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM CC[C@H]1CC[C@H](Oc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001228623607 1053150125 /nfs/dbraw/zinc/15/01/25/1053150125.db2.gz SRYVRMBGILTACN-JOCQHMNTSA-N -1 3 302.370 4.155 20 0 DIADHM CC/C=C(\C)[C@@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623904 1053150251 /nfs/dbraw/zinc/15/02/51/1053150251.db2.gz VMQFVSIIZMYCPZ-XKOZXHHJSA-N -1 3 302.370 4.321 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001228957204 1053212966 /nfs/dbraw/zinc/21/29/66/1053212966.db2.gz DHFJIJPHQLDYBL-CYBMUJFWSA-N -1 3 306.402 4.055 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1OCCOC1CCCC1 ZINC001228959251 1053213065 /nfs/dbraw/zinc/21/30/65/1053213065.db2.gz WOSNUZSXOWZLMF-UHFFFAOYSA-N -1 3 306.402 4.056 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)Cc1ccco1 ZINC001228959269 1053213532 /nfs/dbraw/zinc/21/35/32/1053213532.db2.gz XAUCNNCXIFVTSK-GFCCVEGCSA-N -1 3 302.370 4.321 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2cc3ccccc3[nH]2)c([O-])c1 ZINC001319156689 1053222672 /nfs/dbraw/zinc/22/26/72/1053222672.db2.gz OSRMZWYIUXBXKM-UHFFFAOYSA-N -1 3 322.408 4.269 20 0 DIADHM O=C([N-]c1csnc1-c1ccccc1)c1sccc1F ZINC001360451611 1053228409 /nfs/dbraw/zinc/22/84/09/1053228409.db2.gz RSCMKUNAOFSFHU-UHFFFAOYSA-N -1 3 304.371 4.263 20 0 DIADHM CC(C)[C@H](Oc1cccc([O-])c1Br)C(F)(F)F ZINC001229140232 1053256881 /nfs/dbraw/zinc/25/68/81/1053256881.db2.gz YHAYFHCFJGLYQX-JTQLQIEISA-N -1 3 313.113 4.120 20 0 DIADHM CCC[C@H](Oc1cc(O)cc([O-])c1Br)C(C)(C)C ZINC001229098109 1053245957 /nfs/dbraw/zinc/24/59/57/1053245957.db2.gz BNTPGDRYXXIJQZ-LBPRGKRZSA-N -1 3 317.223 4.454 20 0 DIADHM CCCCC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229098001 1053247145 /nfs/dbraw/zinc/24/71/45/1053247145.db2.gz ZWWQJNKAZQCECM-VIFPVBQESA-N -1 3 303.196 4.208 20 0 DIADHM COc1ccc([C@@H](C)Oc2cccc([O-])c2Br)cc1 ZINC001229140266 1053256305 /nfs/dbraw/zinc/25/63/05/1053256305.db2.gz ZAKFJSQXQLUJFE-SNVBAGLBSA-N -1 3 323.186 4.303 20 0 DIADHM O=C([N-]c1cnoc1)c1c(F)cccc1Sc1ccccc1 ZINC001360958365 1053298971 /nfs/dbraw/zinc/29/89/71/1053298971.db2.gz CCKWLANYIYCWMM-UHFFFAOYSA-N -1 3 314.341 4.217 20 0 DIADHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)c3ccccc3)c12 ZINC001229352348 1053305392 /nfs/dbraw/zinc/30/53/92/1053305392.db2.gz OJESGBWRMULKSM-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM CC(C)(C)O[N-]C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001320337584 1053326866 /nfs/dbraw/zinc/32/68/66/1053326866.db2.gz DXNDOSHJGOHUHB-GOSISDBHSA-N -1 3 311.425 4.249 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(OC[C@H]3CCC=CO3)c2)cc1 ZINC001229542982 1053349226 /nfs/dbraw/zinc/34/92/26/1053349226.db2.gz SUTKEBICUFWIDT-QGZVFWFLSA-N -1 3 324.376 4.003 20 0 DIADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)c1cccnc1Cl ZINC001229563434 1053353670 /nfs/dbraw/zinc/35/36/70/1053353670.db2.gz ADWSDABRZWTLQN-SSDOTTSWSA-N -1 3 323.830 4.168 20 0 DIADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)c1ccc(F)cc1 ZINC001229563546 1053353962 /nfs/dbraw/zinc/35/39/62/1053353962.db2.gz BWYLIVKZRJYZIS-MRVPVSSYSA-N -1 3 306.387 4.259 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nc(C)co3)c2)c1 ZINC001545780312 1053364966 /nfs/dbraw/zinc/36/49/66/1053364966.db2.gz SAZPXYDWSSYVHC-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CC(C)c1csc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000847377405 1053367262 /nfs/dbraw/zinc/36/72/62/1053367262.db2.gz BGPSDFKAHZNIJU-UHFFFAOYSA-N -1 3 322.242 4.282 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1Cl ZINC000153543075 1053697157 /nfs/dbraw/zinc/69/71/57/1053697157.db2.gz YOKJRSVBUGWQGG-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@H]1C[C@@H](Oc2ccccc2Oc2ccccc2[O-])CCO1 ZINC001231219821 1053703243 /nfs/dbraw/zinc/70/32/43/1053703243.db2.gz ASQUMUFPEPLMDY-KBPBESRZSA-N -1 3 300.354 4.131 20 0 DIADHM C[C@@H](Oc1ccccc1Oc1ccccc1[O-])C1CCOCC1 ZINC001231219262 1053703459 /nfs/dbraw/zinc/70/34/59/1053703459.db2.gz UOXPLHSHLKNPPD-CQSZACIVSA-N -1 3 314.381 4.378 20 0 DIADHM C[C@@H](Oc1ccccc1Oc1ccccc1[O-])c1cnccn1 ZINC001231223746 1053705635 /nfs/dbraw/zinc/70/56/35/1053705635.db2.gz SUVFMVUEWDPNAD-CYBMUJFWSA-N -1 3 308.337 4.115 20 0 DIADHM [O-]c1ccccc1Oc1ccccc1OC[C@@H]1CCCCO1 ZINC001231222897 1053706295 /nfs/dbraw/zinc/70/62/95/1053706295.db2.gz KKELYBICJXXFOH-AWEZNQCLSA-N -1 3 300.354 4.132 20 0 DIADHM C[C@H](Oc1ccccc1Oc1ccccc1[O-])c1cnccn1 ZINC001231223747 1053706375 /nfs/dbraw/zinc/70/63/75/1053706375.db2.gz SUVFMVUEWDPNAD-ZDUSSCGKSA-N -1 3 308.337 4.115 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1oc(-c2ccccc2)nc1C ZINC000154189216 1053730558 /nfs/dbraw/zinc/73/05/58/1053730558.db2.gz HXPCPPMHWYWOSS-UHFFFAOYSA-N -1 3 323.352 4.076 20 0 DIADHM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc2ccccc2c1 ZINC001231466049 1053758187 /nfs/dbraw/zinc/75/81/87/1053758187.db2.gz QKLDZMJEFINNNY-UHFFFAOYSA-N -1 3 311.406 4.232 20 0 DIADHM [O-]c1ccc(CN2CC(c3ccccc3)C2)cc1C(F)(F)F ZINC001231522973 1053776579 /nfs/dbraw/zinc/77/65/79/1053776579.db2.gz NGWNQRXRFHJBSK-UHFFFAOYSA-N -1 3 307.315 4.010 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2c2ccncc2)cc1C(F)(F)F ZINC001231524144 1053779233 /nfs/dbraw/zinc/77/92/33/1053779233.db2.gz GRDKJWWPQQEAMX-HNNXBMFYSA-N -1 3 322.330 4.143 20 0 DIADHM C[C@]1(F)CCCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523882 1053779285 /nfs/dbraw/zinc/77/92/85/1053779285.db2.gz IDJHAQVJYZJWPI-AWEZNQCLSA-N -1 3 305.315 4.125 20 0 DIADHM O=C([N-]c1csc(-c2ccccc2)n1)c1ncc(Cl)s1 ZINC001326487727 1053785666 /nfs/dbraw/zinc/78/56/66/1053785666.db2.gz SSFFYLXTWSWQFE-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM [O-]c1cc(CN2CCC(c3cccs3)CC2)ccc1Cl ZINC001231733854 1053841423 /nfs/dbraw/zinc/84/14/23/1053841423.db2.gz JJBBMFHCJVQKGW-UHFFFAOYSA-N -1 3 307.846 4.487 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1NC(=S)NC1CCCCC1 ZINC001200649787 1053851289 /nfs/dbraw/zinc/85/12/89/1053851289.db2.gz MOJDFFCMHHRFRA-UHFFFAOYSA-N -1 3 318.364 4.030 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1c(Cl)cc(F)cc1Cl ZINC001436554633 1053901801 /nfs/dbraw/zinc/90/18/01/1053901801.db2.gz UFFBPXVLKIWUEK-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM O=c1cc(CSCc2ccc(Cl)cc2)nc(C2CC2)[n-]1 ZINC001472927638 1054030159 /nfs/dbraw/zinc/03/01/59/1054030159.db2.gz OAJQHGSCMVRSOS-UHFFFAOYSA-N -1 3 306.818 4.146 20 0 DIADHM Cc1ccc(-c2ccc(C(=O)[N-]c3c(F)ccnc3F)s2)o1 ZINC001330503014 1054038877 /nfs/dbraw/zinc/03/88/77/1054038877.db2.gz DMMKAPVMNYJHAR-UHFFFAOYSA-N -1 3 320.320 4.242 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccccc1Cl ZINC001200861168 1054048836 /nfs/dbraw/zinc/04/88/36/1054048836.db2.gz DRAQJVGGTDFWII-UHFFFAOYSA-N -1 3 320.801 4.057 20 0 DIADHM C[C@@H](NC1CC(CC(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ZINC001331942967 1054102417 /nfs/dbraw/zinc/10/24/17/1054102417.db2.gz HXINTDSZRRTHLM-AFPNSQJFSA-N -1 3 320.191 4.036 20 0 DIADHM COc1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)CCC2 ZINC001232789706 1054121622 /nfs/dbraw/zinc/12/16/22/1054121622.db2.gz ORASGCZSLJPHEU-UHFFFAOYSA-N -1 3 317.816 4.003 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1ccc(F)c([O-])c1F ZINC001232933559 1054149567 /nfs/dbraw/zinc/14/95/67/1054149567.db2.gz LCABXTIMMDWIJJ-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2ccc(F)c([O-])c2F)c1 ZINC001232930920 1054150586 /nfs/dbraw/zinc/15/05/86/1054150586.db2.gz GRPOBKCVLIRXES-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)c1F ZINC001232938524 1054153434 /nfs/dbraw/zinc/15/34/34/1054153434.db2.gz FGRJLCFSEIEJJG-OAHLLOKOSA-N -1 3 321.342 4.017 20 0 DIADHM [O-]c1cc(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc(F)c1F ZINC001232973288 1054161119 /nfs/dbraw/zinc/16/11/19/1054161119.db2.gz SDEQFTUCZBADKV-CYBMUJFWSA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1cc(CN2CC[C@H](c3ccccc3Cl)C2)cc(F)c1F ZINC001232973127 1054161635 /nfs/dbraw/zinc/16/16/35/1054161635.db2.gz NWZQECLVXKSTQW-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1cc(C)cc(N(C)C(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000622320615 1054172407 /nfs/dbraw/zinc/17/24/07/1054172407.db2.gz SDPWBRLWJFZPOC-UHFFFAOYSA-N -1 3 309.409 4.164 20 0 DIADHM CCc1ccc(C(=O)N(CCC(C)C)C2CCCC2)c([O-])c1 ZINC000622334427 1054178210 /nfs/dbraw/zinc/17/82/10/1054178210.db2.gz LQHPMULZLRPMJB-UHFFFAOYSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(OC(C)C)cc2F)c1[O-] ZINC000622338238 1054179978 /nfs/dbraw/zinc/17/99/78/1054179978.db2.gz BHUJUJCLNZISKB-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM CCc1cccc(C(=O)N2CCCc3c(C)cc(C)cc32)c1[O-] ZINC000622349437 1054183499 /nfs/dbraw/zinc/18/34/99/1054183499.db2.gz ZWORRQZDUCVUEY-UHFFFAOYSA-N -1 3 309.409 4.164 20 0 DIADHM CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622378285 1054196180 /nfs/dbraw/zinc/19/61/80/1054196180.db2.gz KSGYBLMTURZDDL-LLVKDONJSA-N -1 3 315.335 4.063 20 0 DIADHM CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622378286 1054196483 /nfs/dbraw/zinc/19/64/83/1054196483.db2.gz KSGYBLMTURZDDL-NSHDSACASA-N -1 3 315.335 4.063 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1[O-] ZINC000622390165 1054199268 /nfs/dbraw/zinc/19/92/68/1054199268.db2.gz OOWZSQPYHNLULJ-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000184832226 1054200939 /nfs/dbraw/zinc/20/09/39/1054200939.db2.gz SSOWARXQSWFVEB-LEKRSAHOSA-N -1 3 324.207 4.026 20 0 DIADHM C[C@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000184832242 1054201125 /nfs/dbraw/zinc/20/11/25/1054201125.db2.gz SSOWARXQSWFVEB-ARFNDINWSA-N -1 3 324.207 4.026 20 0 DIADHM CC1(C)CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000622389981 1054201606 /nfs/dbraw/zinc/20/16/06/1054201606.db2.gz GPWNJCXDSRDGIT-UHFFFAOYSA-N -1 3 315.335 4.110 20 0 DIADHM [S-]c1ccc(CN2CCSC[C@H]2c2ccccc2)cc1 ZINC001233261533 1054219510 /nfs/dbraw/zinc/21/95/10/1054219510.db2.gz SFZSIMKLTLMICC-KRWDZBQOSA-N -1 3 301.480 4.265 20 0 DIADHM CC(C)(C)C1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000622445330 1054238201 /nfs/dbraw/zinc/23/82/01/1054238201.db2.gz NXXBOPXSIPSGOW-UHFFFAOYSA-N -1 3 321.436 4.043 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CCc2ccccc2)C(C)C)c1 ZINC001337050664 1054256681 /nfs/dbraw/zinc/25/66/81/1054256681.db2.gz REAWSCBBBCWBBG-UHFFFAOYSA-N -1 3 311.425 4.048 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccccc3Cl)C2)c1F ZINC001233395641 1054258576 /nfs/dbraw/zinc/25/85/76/1054258576.db2.gz HGLGYUGXBCJLNB-NSHDSACASA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1ccc(F)c(CN2CCCC[C@H]2c2ccccc2)c1F ZINC001233393464 1054259915 /nfs/dbraw/zinc/25/99/15/1054259915.db2.gz WDMKNEDSDGJLEI-INIZCTEOSA-N -1 3 303.352 4.398 20 0 DIADHM CN(Cc1ccc2ccccc2c1)Cc1c(F)ccc([O-])c1F ZINC001233396514 1054260249 /nfs/dbraw/zinc/26/02/49/1054260249.db2.gz HEQCDNOANLWGJY-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H](c3ccccc3)CC2)c1F ZINC001233396061 1054260334 /nfs/dbraw/zinc/26/03/34/1054260334.db2.gz HQNNSNAGMMPRDL-OAHLLOKOSA-N -1 3 317.379 4.440 20 0 DIADHM CCN(CCC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622512058 1054266976 /nfs/dbraw/zinc/26/69/76/1054266976.db2.gz XUGIIHLDPKJFOM-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM CC1(C)CCC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622545347 1054278949 /nfs/dbraw/zinc/27/89/49/1054278949.db2.gz KOTCDVABGPPYRH-LBPRGKRZSA-N -1 3 315.335 4.110 20 0 DIADHM CC(C)(CC1CCCCCC1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000622542706 1054279099 /nfs/dbraw/zinc/27/90/99/1054279099.db2.gz MDHYPYCFFBDMBQ-UHFFFAOYSA-N -1 3 321.436 4.329 20 0 DIADHM CCc1cccc(C(=O)Nc2ccccc2NC(C)(C)C)c1[O-] ZINC000622550428 1054284927 /nfs/dbraw/zinc/28/49/27/1054284927.db2.gz KOZIFFUVXCMUQV-UHFFFAOYSA-N -1 3 312.413 4.417 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C3CCCCC3)C2)c([O-])c1 ZINC000622621832 1054308001 /nfs/dbraw/zinc/30/80/01/1054308001.db2.gz SDNJEAPECNEMDA-UHFFFAOYSA-N -1 3 301.430 4.168 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)c3c2cccc3Cl)c1 ZINC001338971424 1054318040 /nfs/dbraw/zinc/31/80/40/1054318040.db2.gz PBZTXCNCSAHAAJ-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM CC(C)c1ccc(C(=O)NC2CCC(C(F)F)CC2)c([O-])c1 ZINC000622696528 1054330130 /nfs/dbraw/zinc/33/01/30/1054330130.db2.gz OXZHGLLBYZTTPX-UHFFFAOYSA-N -1 3 311.372 4.069 20 0 DIADHM [O-]c1coc2ccc(OC(c3ccccc3)c3ccccc3)cc12 ZINC001233678248 1054330741 /nfs/dbraw/zinc/33/07/41/1054330741.db2.gz YGXQEZQUCSJQKZ-UHFFFAOYSA-N -1 3 316.356 4.430 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001440437337 1054351806 /nfs/dbraw/zinc/35/18/06/1054351806.db2.gz YRESBGRRZQLRER-HOCLYGCPSA-N -1 3 301.430 4.168 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c1C ZINC001440580968 1054359606 /nfs/dbraw/zinc/35/96/06/1054359606.db2.gz YXQVHUUZNAJUCZ-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001440701768 1054365009 /nfs/dbraw/zinc/36/50/09/1054365009.db2.gz AKHFHCMWFRVEIA-BZUAXINKSA-N -1 3 301.430 4.043 20 0 DIADHM CCCCCC[C@](C)(CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001340812846 1054367329 /nfs/dbraw/zinc/36/73/29/1054367329.db2.gz RPNXOISWLDSKFR-ZDUSSCGKSA-N -1 3 320.359 4.149 20 0 DIADHM CCCCCC[C@](C)(CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001340812846 1054367335 /nfs/dbraw/zinc/36/73/35/1054367335.db2.gz RPNXOISWLDSKFR-ZDUSSCGKSA-N -1 3 320.359 4.149 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)c([O-])c1 ZINC001440942516 1054374389 /nfs/dbraw/zinc/37/43/89/1054374389.db2.gz SZXFWFPDGISZIS-UHFFFAOYSA-N -1 3 312.413 4.053 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1F)c1c(F)c(F)c(F)c(F)c1F ZINC001233867459 1054377168 /nfs/dbraw/zinc/37/71/68/1054377168.db2.gz FHAIDFAVLJJPKG-RXMQYKEDSA-N -1 3 322.204 4.367 20 0 DIADHM C[C@H](Oc1cccc([O-])c1F)c1c(F)c(F)c(F)c(F)c1F ZINC001233867461 1054377367 /nfs/dbraw/zinc/37/73/67/1054377367.db2.gz FHAIDFAVLJJPKG-YFKPBYRVSA-N -1 3 322.204 4.367 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(O[C@H](C)CC)cc2)c([O-])c1 ZINC001442293671 1054415951 /nfs/dbraw/zinc/41/59/51/1054415951.db2.gz GJQWNMMYCBTOGO-CYBMUJFWSA-N -1 3 313.397 4.384 20 0 DIADHM C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC001342658405 1054428658 /nfs/dbraw/zinc/42/86/58/1054428658.db2.gz NKHUWKFGDBTXBK-MEBBXXQBSA-N -1 3 313.378 4.156 20 0 DIADHM Cc1csc(-c2ccc(NC(=O)c3cc(C)ccc3[O-])cc2)n1 ZINC001442854404 1054434121 /nfs/dbraw/zinc/43/41/21/1054434121.db2.gz MTLKKZPJHDROID-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC1CCC(C)(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001442931139 1054435859 /nfs/dbraw/zinc/43/58/59/1054435859.db2.gz LTGFRNVEQOPOTB-UHFFFAOYSA-N -1 3 303.427 4.306 20 0 DIADHM CCSc1ccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC001443752513 1054457553 /nfs/dbraw/zinc/45/75/53/1054457553.db2.gz BONFGXQZZGOMDY-ZDUSSCGKSA-N -1 3 315.438 4.304 20 0 DIADHM CCSc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1 ZINC001443752510 1054457864 /nfs/dbraw/zinc/45/78/64/1054457864.db2.gz BONFGXQZZGOMDY-CYBMUJFWSA-N -1 3 315.438 4.304 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1scnc1C(C)C ZINC000622905065 1054466234 /nfs/dbraw/zinc/46/62/34/1054466234.db2.gz RMOLHVJGKPZFQE-UHFFFAOYSA-N -1 3 310.419 4.380 20 0 DIADHM COc1ccc([C@H](C)Oc2c(Cl)ccc([O-])c2F)c(F)c1 ZINC001234263103 1054477459 /nfs/dbraw/zinc/47/74/59/1054477459.db2.gz RIQIUYFBOOBCOS-QMMMGPOBSA-N -1 3 314.715 4.472 20 0 DIADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)c1cccc(N(C)C)c1 ZINC001234263016 1054478322 /nfs/dbraw/zinc/47/83/22/1054478322.db2.gz OIADWROPJPFKHC-JTQLQIEISA-N -1 3 309.768 4.391 20 0 DIADHM O=C1CC[C@@H](Oc2c(Cl)ccc([O-])c2F)c2ccccc21 ZINC001234263612 1054479960 /nfs/dbraw/zinc/47/99/60/1054479960.db2.gz DEMNMQWMSJDNDO-CQSZACIVSA-N -1 3 306.720 4.281 20 0 DIADHM C[C@H](COCc1ccccc1)Oc1c(Cl)ccc([O-])c1F ZINC001234264688 1054480245 /nfs/dbraw/zinc/48/02/45/1054480245.db2.gz QZECGXSWZUHRAN-LLVKDONJSA-N -1 3 310.752 4.169 20 0 DIADHM COc1cccc2c1[C@H](Oc1c(Cl)ccc([O-])c1F)CCO2 ZINC001234264104 1054480341 /nfs/dbraw/zinc/48/03/41/1054480341.db2.gz MRFWAABHXVHBKX-CYBMUJFWSA-N -1 3 324.735 4.096 20 0 DIADHM Cc1cccc(OC[C@H](C)Oc2c(Cl)ccc([O-])c2F)c1 ZINC001234263286 1054480361 /nfs/dbraw/zinc/48/03/61/1054480361.db2.gz WKEPUKFVMILCNV-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@H]2C[C@H](OCc3ccccc3)C2)c1F ZINC001234263307 1054480365 /nfs/dbraw/zinc/48/03/65/1054480365.db2.gz WYWNDZJXBZNXDB-JOCQHMNTSA-N -1 3 322.763 4.311 20 0 DIADHM CC(=O)c1cc(OC(=C([O-])c2ccco2)c2ccco2)ccc1C ZINC001234323216 1054501465 /nfs/dbraw/zinc/50/14/65/1054501465.db2.gz YXQMJKIAXMDYPF-LJQANCHMSA-N -1 3 324.332 4.387 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])[C@H]1C ZINC001445430410 1054507747 /nfs/dbraw/zinc/50/77/47/1054507747.db2.gz NBYHHVGKNMXTDW-CVEARBPZSA-N -1 3 323.436 4.048 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccsc1C(F)F ZINC001447287744 1054558780 /nfs/dbraw/zinc/55/87/80/1054558780.db2.gz MVLMFVWKBQVWRV-UHFFFAOYSA-N -1 3 303.717 4.297 20 0 DIADHM CC[C@@H](C)Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-] ZINC001234380217 1054512223 /nfs/dbraw/zinc/51/22/23/1054512223.db2.gz VGBGAFJTOPXOCZ-GFCCVEGCSA-N -1 3 310.349 4.343 20 0 DIADHM C[C@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C1CC1 ZINC001234378615 1054512791 /nfs/dbraw/zinc/51/27/91/1054512791.db2.gz NDRYVMBFYAVHDW-LBPRGKRZSA-N -1 3 322.360 4.343 20 0 DIADHM Cc1cc(Cl)ncc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001446137437 1054525510 /nfs/dbraw/zinc/52/55/10/1054525510.db2.gz AKOZLFPRQWRAJO-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(C)C)cc1[O-] ZINC001446081416 1054525971 /nfs/dbraw/zinc/52/59/71/1054525971.db2.gz VYUAKWQJFKKEEL-INIZCTEOSA-N -1 3 317.429 4.026 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1OC1CCN(c2ccccc2)CC1 ZINC001234448144 1054526123 /nfs/dbraw/zinc/52/61/23/1054526123.db2.gz PQWVTWPXBSFYQM-UHFFFAOYSA-N -1 3 321.779 4.233 20 0 DIADHM Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1Cl ZINC001446518147 1054537296 /nfs/dbraw/zinc/53/72/96/1054537296.db2.gz PQVBMWLLUXQPEE-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC001446524423 1054537945 /nfs/dbraw/zinc/53/79/45/1054537945.db2.gz HNFXJJNRHVUFOP-VIFPVBQESA-N -1 3 310.180 4.441 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2c(ccnc2Cl)o1 ZINC001446529359 1054539964 /nfs/dbraw/zinc/53/99/64/1054539964.db2.gz URKQBTXVKDYKBS-UHFFFAOYSA-N -1 3 323.135 4.093 20 0 DIADHM CC(C)c1cccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001447274604 1054559106 /nfs/dbraw/zinc/55/91/06/1054559106.db2.gz MLKGLBIFVGAQSH-UHFFFAOYSA-N -1 3 319.788 4.187 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1csc(C2CCCCC2)n1 ZINC001447284384 1054559157 /nfs/dbraw/zinc/55/91/57/1054559157.db2.gz AGAUGDCDORXIPX-UHFFFAOYSA-N -1 3 320.389 4.288 20 0 DIADHM O=C(CCc1cccc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC001447561295 1054568357 /nfs/dbraw/zinc/56/83/57/1054568357.db2.gz XDGXOJXCWNORCX-UHFFFAOYSA-N -1 3 323.367 4.160 20 0 DIADHM CC[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1 ZINC001234689817 1054577724 /nfs/dbraw/zinc/57/77/24/1054577724.db2.gz UVBZZXMFIQLGIC-MRXNPFEDSA-N -1 3 306.365 4.379 20 0 DIADHM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001546000753 1054579137 /nfs/dbraw/zinc/57/91/37/1054579137.db2.gz ZYISTLZKPTYPRS-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM CC(C)Oc1cc(F)c(COc2nc3ccsc3[n-]2)c(F)c1 ZINC001234855482 1054602670 /nfs/dbraw/zinc/60/26/70/1054602670.db2.gz SENLIKPPGMQMPG-UHFFFAOYSA-N -1 3 324.352 4.269 20 0 DIADHM CC(C)Oc1cc(F)c(COc2nc3sccc3[n-]2)c(F)c1 ZINC001234855482 1054602686 /nfs/dbraw/zinc/60/26/86/1054602686.db2.gz SENLIKPPGMQMPG-UHFFFAOYSA-N -1 3 324.352 4.269 20 0 DIADHM c1cc2nc(O[C@@H]3CC[C@H](OCc4ccccc4)C3)[n-]c2s1 ZINC001234854995 1054603204 /nfs/dbraw/zinc/60/32/04/1054603204.db2.gz PCLPMMLSVRUXCC-UONOGXRCSA-N -1 3 314.410 4.141 20 0 DIADHM c1cc2[n-]c(O[C@@H]3CC[C@H](OCc4ccccc4)C3)nc2s1 ZINC001234854995 1054603208 /nfs/dbraw/zinc/60/32/08/1054603208.db2.gz PCLPMMLSVRUXCC-UONOGXRCSA-N -1 3 314.410 4.141 20 0 DIADHM C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCC1 ZINC001449454376 1054622630 /nfs/dbraw/zinc/62/26/30/1054622630.db2.gz NDOVMFFAFVOCFU-OAHLLOKOSA-N -1 3 323.436 4.292 20 0 DIADHM CCCC[C@@H](C)N(CCCC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001450072992 1054635790 /nfs/dbraw/zinc/63/57/90/1054635790.db2.gz JCSQVNVVNLRMAY-CQSZACIVSA-N -1 3 319.445 4.416 20 0 DIADHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c([O-])cccc1Cl ZINC001450262902 1054643685 /nfs/dbraw/zinc/64/36/85/1054643685.db2.gz QPHSWNRBVUXONL-OAHLLOKOSA-N -1 3 319.788 4.150 20 0 DIADHM COc1cccc2c(C(=O)Nc3c([O-])cccc3Cl)coc21 ZINC001450263744 1054644262 /nfs/dbraw/zinc/64/42/62/1054644262.db2.gz KFGMIHAXFPDFHI-UHFFFAOYSA-N -1 3 317.728 4.053 20 0 DIADHM Cc1[nH]c2ccccc2c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179457944 1054683452 /nfs/dbraw/zinc/68/34/52/1054683452.db2.gz ADXAGNMSBZLVCA-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001451992844 1054691647 /nfs/dbraw/zinc/69/16/47/1054691647.db2.gz LOALYMXURZYKEM-FUHWJXTLSA-N -1 3 323.392 4.103 20 0 DIADHM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179636286 1054692601 /nfs/dbraw/zinc/69/26/01/1054692601.db2.gz ZDXAOFBQTCHVRJ-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001299248374 1054705295 /nfs/dbraw/zinc/70/52/95/1054705295.db2.gz JTBYHMSRJFVDCL-ZIAGYGMSSA-N -1 3 307.459 4.059 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2cc(SC)ccc2Cl)c1 ZINC001453318533 1054733589 /nfs/dbraw/zinc/73/35/89/1054733589.db2.gz IJTADHGZPLPOPV-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM CCc1cccc(C(=O)N(C)C[C@H](C)C2CCCCC2)c1[O-] ZINC001454626002 1054777536 /nfs/dbraw/zinc/77/75/36/1054777536.db2.gz RCRXKMMQWBDLLT-AWEZNQCLSA-N -1 3 303.446 4.243 20 0 DIADHM Cc1ccc([C@H]([N-]c2noc(C(C)(C)C)n2)c2ccccn2)cc1 ZINC000530484133 1054805109 /nfs/dbraw/zinc/80/51/09/1054805109.db2.gz SHIKDFGLXHPNSY-INIZCTEOSA-N -1 3 322.412 4.272 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cncc(Oc3cccc(F)c3)n2)c1 ZINC001235899548 1054836863 /nfs/dbraw/zinc/83/68/63/1054836863.db2.gz RQEUNJYGHDPFRW-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM CC(C)(C)OC(=O)c1ccnc(-c2cc([O-])cc(Cl)c2)c1 ZINC001235899584 1054837073 /nfs/dbraw/zinc/83/70/73/1054837073.db2.gz IQBQSERVMWWLEB-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc3c(c2C(F)(F)F)CCC3)c1 ZINC001235900149 1054837292 /nfs/dbraw/zinc/83/72/92/1054837292.db2.gz LJFDXRGFHSQGPX-UHFFFAOYSA-N -1 3 314.694 4.010 20 0 DIADHM COc1ccccc1-c1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235899410 1054837436 /nfs/dbraw/zinc/83/74/36/1054837436.db2.gz HPYNMOTWSXAPSF-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM COc1cccc(-c2ccnc(-c3cc([O-])cc(Cl)c3)n2)c1 ZINC001235898317 1054837981 /nfs/dbraw/zinc/83/79/81/1054837981.db2.gz FSJUJHNQSANAHJ-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(C3CC3)cc2C(F)(F)F)c1 ZINC001235900515 1054839204 /nfs/dbraw/zinc/83/92/04/1054839204.db2.gz OOQLJRBPRJPSHL-UHFFFAOYSA-N -1 3 314.694 4.399 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncnc3sc4c(c32)CCC4)c1 ZINC001235901968 1054840853 /nfs/dbraw/zinc/84/08/53/1054840853.db2.gz ZYCRJUVERZMAOP-UHFFFAOYSA-N -1 3 302.786 4.206 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1F ZINC001236064725 1054922959 /nfs/dbraw/zinc/92/29/59/1054922959.db2.gz SWXURXPNLPDSTQ-UHFFFAOYSA-N -1 3 301.361 4.033 20 0 DIADHM Cc1c(-c2ccc3c(c2)[N-]C(=S)C3)cnn1-c1ccccc1 ZINC001236406452 1055099178 /nfs/dbraw/zinc/09/91/78/1055099178.db2.gz YZZVXRZVGGDNMM-UHFFFAOYSA-N -1 3 305.406 4.143 20 0 DIADHM O=C(Cc1cccc(Cl)c1Cl)Nc1cccc([O-])c1F ZINC000194427021 1055125333 /nfs/dbraw/zinc/12/53/33/1055125333.db2.gz AHQPFJWLQLQOHV-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM O=c1ccnc(C=Cc2ccc(OCc3cccc(F)c3)cc2)[n-]1 ZINC000764434366 1055185422 /nfs/dbraw/zinc/18/54/22/1055185422.db2.gz JNGIBEAUHPAFLQ-TWGQIWQCSA-N -1 3 322.339 4.071 20 0 DIADHM O=c1ccnc(C=Cc2ccc(-c3nc4ccccc4s3)o2)[n-]1 ZINC000764433938 1055186000 /nfs/dbraw/zinc/18/60/00/1055186000.db2.gz HKWNZVCFCSQNJA-VURMDHGXSA-N -1 3 321.361 4.222 20 0 DIADHM O=c1ccnc(C=Cc2ccc(-c3nc4ccccc4s3)o2)[n-]1 ZINC000764433937 1055186282 /nfs/dbraw/zinc/18/62/82/1055186282.db2.gz HKWNZVCFCSQNJA-SOFGYWHQSA-N -1 3 321.361 4.222 20 0 DIADHM CSc1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)co1 ZINC001127779845 1055211666 /nfs/dbraw/zinc/21/16/66/1055211666.db2.gz DKRAURWYHLUSNV-UHFFFAOYSA-N -1 3 314.366 4.217 20 0 DIADHM Cc1ccc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c([O-])c1C ZINC001587363260 1055275864 /nfs/dbraw/zinc/27/58/64/1055275864.db2.gz GFPVCFHHFLDMMH-OAHLLOKOSA-N -1 3 309.409 4.454 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC001587475290 1055307806 /nfs/dbraw/zinc/30/78/06/1055307806.db2.gz QCEOKCBRMOKWHB-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM C[C@H](c1ccccc1Cl)N(C)Cc1sc(=O)[n-]c1Cl ZINC001237169408 1055392611 /nfs/dbraw/zinc/39/26/11/1055392611.db2.gz NIVBYGLQEWZBGX-MRVPVSSYSA-N -1 3 317.241 4.349 20 0 DIADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1occc1[S-] ZINC001237186916 1055397461 /nfs/dbraw/zinc/39/74/61/1055397461.db2.gz VWXLRELNFYBUPA-AWEZNQCLSA-N -1 3 303.427 4.052 20 0 DIADHM O=C(CCCc1ccc2ccccc2c1)[N-]OCc1ccccc1 ZINC001587982565 1055408611 /nfs/dbraw/zinc/40/86/11/1055408611.db2.gz MGBQRRJIRVPIEP-UHFFFAOYSA-N -1 3 319.404 4.411 20 0 DIADHM [O-]c1cc(F)cc(CN2CC[C@H](c3ccccc3)C(F)(F)C2)c1 ZINC001237287594 1055417579 /nfs/dbraw/zinc/41/75/79/1055417579.db2.gz SBSNUNUZQMNBCC-QGZVFWFLSA-N -1 3 321.342 4.156 20 0 DIADHM COc1ccc(C2CC2)c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001588076815 1055425563 /nfs/dbraw/zinc/42/55/63/1055425563.db2.gz VQKMNXLPNVLBIT-UHFFFAOYSA-N -1 3 311.381 4.147 20 0 DIADHM C[C@@H](CCc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471558529 1055426092 /nfs/dbraw/zinc/42/60/92/1055426092.db2.gz KRBMYKWAVOFWRI-HNNXBMFYSA-N -1 3 319.404 4.297 20 0 DIADHM CCC(C)(C)C1CCC(NC(=O)c2ccc(OC)cc2[O-])CC1 ZINC001588172000 1055441043 /nfs/dbraw/zinc/44/10/43/1055441043.db2.gz CKPHHRCCMDTRPW-UHFFFAOYSA-N -1 3 319.445 4.126 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c([O-])c1 ZINC001626032297 1055456294 /nfs/dbraw/zinc/45/62/94/1055456294.db2.gz PSUGYBUSCACVJB-LLVKDONJSA-N -1 3 303.789 4.099 20 0 DIADHM Cc1cc(F)cc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001588281548 1055464064 /nfs/dbraw/zinc/46/40/64/1055464064.db2.gz PBXBMVMWLQEGMT-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM [O-]c1c(CN2CCC23CCCCC3)cc(Cl)nc1Cl ZINC001237517396 1055466828 /nfs/dbraw/zinc/46/68/28/1055466828.db2.gz AJCFTDACXBEXLO-UHFFFAOYSA-N -1 3 301.217 4.003 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2SC(F)F)c1 ZINC000021796849 1055549796 /nfs/dbraw/zinc/54/97/96/1055549796.db2.gz QNAVNFCVMYYXPJ-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC(C3CCCC3)CC2)c1 ZINC001620933956 1055550076 /nfs/dbraw/zinc/55/00/76/1055550076.db2.gz LNTROJOYVBIXKG-UHFFFAOYSA-N -1 3 319.470 4.157 20 0 DIADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000021813713 1055550690 /nfs/dbraw/zinc/55/06/90/1055550690.db2.gz MCQXUCCXXSJHFE-SECBINFHSA-N -1 3 310.180 4.190 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@H](c3ccccc3)C2)cc1Cl ZINC001237984498 1055574130 /nfs/dbraw/zinc/57/41/30/1055574130.db2.gz QKAPNHKHRKDJHB-AWEZNQCLSA-N -1 3 305.780 4.174 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1ccc(F)c(C)c1 ZINC001594943977 1055574252 /nfs/dbraw/zinc/57/42/52/1055574252.db2.gz DAHWRNWNLLHAKW-UHFFFAOYSA-N -1 3 307.752 4.160 20 0 DIADHM O=C(Nc1nc(C2CC2)cs1)c1cc([O-])c2ccccc2c1 ZINC000471860302 1055580619 /nfs/dbraw/zinc/58/06/19/1055580619.db2.gz XGGZKRQGCOXWEH-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccccc2C)C2CC2)c([O-])c1 ZINC001595325588 1055587193 /nfs/dbraw/zinc/58/71/93/1055587193.db2.gz PIUPJHBBLAANJN-UHFFFAOYSA-N -1 3 309.409 4.068 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001595539459 1055608081 /nfs/dbraw/zinc/60/80/81/1055608081.db2.gz MLVIUWKNBSHNOD-KUHUBIRLSA-N -1 3 309.409 4.178 20 0 DIADHM Cc1ccc2c(ccc(C)c2C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001595591378 1055614364 /nfs/dbraw/zinc/61/43/64/1055614364.db2.gz WJCCJYHSEWIZRH-UHFFFAOYSA-N -1 3 323.367 4.231 20 0 DIADHM CN(Cc1c(Br)ccc([O-])c1F)C1CCCCC1 ZINC001238305012 1055636423 /nfs/dbraw/zinc/63/64/23/1055636423.db2.gz ILLDRXILMAHTCB-UHFFFAOYSA-N -1 3 316.214 4.058 20 0 DIADHM CCCc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC001538542041 1055654681 /nfs/dbraw/zinc/65/46/81/1055654681.db2.gz MOCVNABDVBBCTR-UHFFFAOYSA-N -1 3 309.409 4.476 20 0 DIADHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472145921 1055690494 /nfs/dbraw/zinc/69/04/94/1055690494.db2.gz OGERBOVLGDXSNI-SIIHOXLZSA-N -1 3 309.409 4.339 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c1 ZINC001565659664 1055716449 /nfs/dbraw/zinc/71/64/49/1055716449.db2.gz AHMOJIKOVBTMTL-QWHCGFSZSA-N -1 3 307.459 4.059 20 0 DIADHM C[C@@H]1CC[C@H](NC(=O)c2cc3sccc3c([O-])c2)[C@H](C)C1 ZINC001565759351 1055726711 /nfs/dbraw/zinc/72/67/11/1055726711.db2.gz YJVJOOXEXZSLEI-GYSYKLTISA-N -1 3 303.427 4.161 20 0 DIADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(C)(C)c1ccccc1 ZINC001565908932 1055734967 /nfs/dbraw/zinc/73/49/67/1055734967.db2.gz LSQWFHIMTFLPEC-GOSISDBHSA-N -1 3 311.425 4.187 20 0 DIADHM CSc1ccncc1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC001566204506 1055750600 /nfs/dbraw/zinc/75/06/00/1055750600.db2.gz ISCKQUASZZHASR-UHFFFAOYSA-N -1 3 321.471 4.101 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2N(C)C2CCCC2)c1[O-] ZINC001566395944 1055769085 /nfs/dbraw/zinc/76/90/85/1055769085.db2.gz AACJMUNLQLDXKL-UHFFFAOYSA-N -1 3 324.424 4.332 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc3ccc(O)cc32)c([O-])c1C ZINC001566634013 1055776401 /nfs/dbraw/zinc/77/64/01/1055776401.db2.gz FYKWHMVVTGLAAJ-UHFFFAOYSA-N -1 3 307.349 4.120 20 0 DIADHM CN(C[C@@H]1CC=CCC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001566755030 1055779632 /nfs/dbraw/zinc/77/96/32/1055779632.db2.gz WVAOMNAQMCYPPD-GFCCVEGCSA-N -1 3 301.411 4.035 20 0 DIADHM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001567234866 1055796205 /nfs/dbraw/zinc/79/62/05/1055796205.db2.gz PJTGYQOSDFCYOT-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001597226461 1055804206 /nfs/dbraw/zinc/80/42/06/1055804206.db2.gz QSVHHIJXNVNRIA-OAHLLOKOSA-N -1 3 319.401 4.134 20 0 DIADHM Cc1cc2n[nH]cc2cc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001567558903 1055807159 /nfs/dbraw/zinc/80/71/59/1055807159.db2.gz AOIDZPVIVJTVKG-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC001567889407 1055825144 /nfs/dbraw/zinc/82/51/44/1055825144.db2.gz BFIPDJYHEJKCRR-IBGZPJMESA-N -1 3 303.446 4.272 20 0 DIADHM CC(C)c1cccc(N(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC001597411402 1055826021 /nfs/dbraw/zinc/82/60/21/1055826021.db2.gz UVIRGVHIVUMRGC-UHFFFAOYSA-N -1 3 303.789 4.446 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c([O-])c1 ZINC001568091455 1055828088 /nfs/dbraw/zinc/82/80/88/1055828088.db2.gz ZEHCCPXMEZYEDO-CTYIDZIISA-N -1 3 315.800 4.030 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N(CC1CC1)C1CCC1 ZINC001568114062 1055828386 /nfs/dbraw/zinc/82/83/86/1055828386.db2.gz IBLNSAQNLKYNSL-UHFFFAOYSA-N -1 3 301.411 4.012 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)s2)n1 ZINC001568296386 1055832922 /nfs/dbraw/zinc/83/29/22/1055832922.db2.gz XSDMSMTUACHATI-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cc3c(s2)CCCCCC3)n1 ZINC001568296261 1055834049 /nfs/dbraw/zinc/83/40/49/1055834049.db2.gz TWLSPPUQUSPRNS-UHFFFAOYSA-N -1 3 316.426 4.068 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC001569641629 1055867906 /nfs/dbraw/zinc/86/79/06/1055867906.db2.gz WEHRTBFTNRAHJL-IRXDYDNUSA-N -1 3 309.409 4.014 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC001569641628 1055868577 /nfs/dbraw/zinc/86/85/77/1055868577.db2.gz WEHRTBFTNRAHJL-IAGOWNOFSA-N -1 3 309.409 4.014 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C1(Cc2cccs2)CCCCC1 ZINC001569749993 1055872213 /nfs/dbraw/zinc/87/22/13/1055872213.db2.gz KDENHKLROCJSBM-AWEZNQCLSA-N -1 3 309.475 4.335 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001569849765 1055875540 /nfs/dbraw/zinc/87/55/40/1055875540.db2.gz KJBPTYPCRMMJEW-INIZCTEOSA-N -1 3 323.436 4.366 20 0 DIADHM Cc1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)c([O-])c1 ZINC001539698458 1055886238 /nfs/dbraw/zinc/88/62/38/1055886238.db2.gz GPUJFULVBTWCSL-UHFFFAOYSA-N -1 3 323.436 4.333 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001570438844 1055901562 /nfs/dbraw/zinc/90/15/62/1055901562.db2.gz LFOFGQDCEVLBPC-QGZVFWFLSA-N -1 3 309.409 4.109 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC001598078001 1055912019 /nfs/dbraw/zinc/91/20/19/1055912019.db2.gz UPZWRPVDXWBWJR-IOSXPMGOSA-N -1 3 323.477 4.194 20 0 DIADHM CCc1ccc(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c([O-])c1 ZINC001539840654 1055916351 /nfs/dbraw/zinc/91/63/51/1055916351.db2.gz FFJQXLGPKXFOSA-LJQANCHMSA-N -1 3 309.409 4.144 20 0 DIADHM Cc1ccc(C(=O)Nc2c(F)cccc2NC(C)C)c([O-])c1C ZINC001570861305 1055917624 /nfs/dbraw/zinc/91/76/24/1055917624.db2.gz WAPWBVOAGFCKET-UHFFFAOYSA-N -1 3 316.376 4.221 20 0 DIADHM CCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000065663229 1055956217 /nfs/dbraw/zinc/95/62/17/1055956217.db2.gz IOWSFDAUVJPGEE-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CC(=O)c1ccc(C(=O)N(C)c2ccc3ccccc3c2)cc1[O-] ZINC001540041758 1055958436 /nfs/dbraw/zinc/95/84/36/1055958436.db2.gz SSJFABQJMCWEEK-UHFFFAOYSA-N -1 3 319.360 4.025 20 0 DIADHM [O-]c1cccc(CNCc2ccnc(-c3ccccc3)c2)c1Cl ZINC001621025626 1055991304 /nfs/dbraw/zinc/99/13/04/1055991304.db2.gz YQRBNLARLKHSPC-UHFFFAOYSA-N -1 3 324.811 4.397 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc2sccc2c([O-])c1 ZINC001583269098 1056049690 /nfs/dbraw/zinc/04/96/90/1056049690.db2.gz VLYAJAPSMFCDJV-MRXNPFEDSA-N -1 3 323.417 4.333 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc2sccc2c([O-])c1 ZINC001583269096 1056050137 /nfs/dbraw/zinc/05/01/37/1056050137.db2.gz VLYAJAPSMFCDJV-INIZCTEOSA-N -1 3 323.417 4.333 20 0 DIADHM CC(C)CCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC001610906287 1056078169 /nfs/dbraw/zinc/07/81/69/1056078169.db2.gz UQYYWYMHXARZLN-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(CC)c1[O-] ZINC001540702834 1056064995 /nfs/dbraw/zinc/06/49/95/1056064995.db2.gz YTYSNQXIXUJPPB-UHFFFAOYSA-N -1 3 311.425 4.315 20 0 DIADHM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001540715564 1056066708 /nfs/dbraw/zinc/06/67/08/1056066708.db2.gz WOGCENNQUHECSX-UHFFFAOYSA-N -1 3 311.425 4.486 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782993 1056070752 /nfs/dbraw/zinc/07/07/52/1056070752.db2.gz NKQYMSAGJXRWHF-MEBBXXQBSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])c(C)c1 ZINC001610900167 1056075941 /nfs/dbraw/zinc/07/59/41/1056075941.db2.gz PKFSAXLXLIJNNU-UHFFFAOYSA-N -1 3 303.789 4.234 20 0 DIADHM Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(C)c1 ZINC001540794245 1056078045 /nfs/dbraw/zinc/07/80/45/1056078045.db2.gz OICCEIIZEXVSMJ-UHFFFAOYSA-N -1 3 305.377 4.092 20 0 DIADHM O=C(NC1CC2(CCC2)C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001583431115 1056080417 /nfs/dbraw/zinc/08/04/17/1056080417.db2.gz ZTVNTXGRBPFWQO-UHFFFAOYSA-N -1 3 323.392 4.247 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1 ZINC001540830345 1056082219 /nfs/dbraw/zinc/08/22/19/1056082219.db2.gz ADOSWPRPOOPVPJ-DUVNUKRYSA-N -1 3 319.470 4.155 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCCC3)c1 ZINC001583513050 1056097957 /nfs/dbraw/zinc/09/79/57/1056097957.db2.gz HYYCCCFQACVIRE-UHFFFAOYSA-N -1 3 309.409 4.476 20 0 DIADHM CC(C)(C)O[N-]C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001611059629 1056102828 /nfs/dbraw/zinc/10/28/28/1056102828.db2.gz UBESHFGYQMWVER-UHFFFAOYSA-N -1 3 316.184 4.128 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(OCCC(C)C)c2)c([O-])c1 ZINC001542342153 1056119275 /nfs/dbraw/zinc/11/92/75/1056119275.db2.gz KAZSQPXAEVUFSV-UHFFFAOYSA-N -1 3 313.397 4.378 20 0 DIADHM O=C(Nc1cc(C(F)F)ccc1F)c1cc([O-])ccc1Cl ZINC001583678063 1056137585 /nfs/dbraw/zinc/13/75/85/1056137585.db2.gz MMQYYNIGNRMIQO-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2ncccc2[O-])CC1 ZINC001611466897 1056163974 /nfs/dbraw/zinc/16/39/74/1056163974.db2.gz DLJYCBGCUFOWQK-BIWSTMPVSA-N -1 3 316.445 4.358 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCc2cccc3ccccc32)c1 ZINC001543133093 1056179857 /nfs/dbraw/zinc/17/98/57/1056179857.db2.gz KRNQPIACBYNVIX-UHFFFAOYSA-N -1 3 323.417 4.197 20 0 DIADHM CCc1cccc2c1N(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001543322679 1056202245 /nfs/dbraw/zinc/20/22/45/1056202245.db2.gz QWJOHUBVINXWBH-UHFFFAOYSA-N -1 3 323.417 4.372 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(C)c2C)c1 ZINC001543320803 1056202357 /nfs/dbraw/zinc/20/23/57/1056202357.db2.gz ZBMJWILWZOMOQS-CYBMUJFWSA-N -1 3 315.438 4.222 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c1 ZINC001583943298 1056211395 /nfs/dbraw/zinc/21/13/95/1056211395.db2.gz WQCXNSROLMSIQH-UHFFFAOYSA-N -1 3 323.396 4.127 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)c1cc(C)cc(C)c1 ZINC001543429690 1056219091 /nfs/dbraw/zinc/21/90/91/1056219091.db2.gz FWZDZIBNPPTRND-UHFFFAOYSA-N -1 3 303.789 4.329 20 0 DIADHM CCCCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C ZINC001543441851 1056221879 /nfs/dbraw/zinc/22/18/79/1056221879.db2.gz LVQSYZONJWCMOA-KRWDZBQOSA-N -1 3 319.445 4.320 20 0 DIADHM CCCCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(C)(C)C ZINC001543441850 1056223380 /nfs/dbraw/zinc/22/33/80/1056223380.db2.gz LVPZJAATLWZUEO-MRXNPFEDSA-N -1 3 307.434 4.126 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3coc(C4CC4)n3)no2)c([O-])c1 ZINC000624713877 1056225421 /nfs/dbraw/zinc/22/54/21/1056225421.db2.gz KBTGQZSTMBFDEW-UHFFFAOYSA-N -1 3 311.341 4.098 20 0 DIADHM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000765873799 1056349416 /nfs/dbraw/zinc/34/94/16/1056349416.db2.gz INHPCILVCFJUGT-KXFIGUGUSA-N -1 3 312.756 4.179 20 0 DIADHM CC[C@H]1CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001544057218 1056352800 /nfs/dbraw/zinc/35/28/00/1056352800.db2.gz KBIHBOORNXDQNK-AAEUAGOBSA-N -1 3 303.427 4.306 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2c3ccccc3C(C)(C)[C@H]2C)c1 ZINC001584556683 1056365938 /nfs/dbraw/zinc/36/59/38/1056365938.db2.gz HHSNQHJSECTIBD-CYBMUJFWSA-N -1 3 309.409 4.281 20 0 DIADHM COc1ccc([C@H](C)S[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC001613501778 1056385765 /nfs/dbraw/zinc/38/57/65/1056385765.db2.gz PYEWBYXRLNRNDE-NWDGAFQWSA-N -1 3 304.415 4.055 20 0 DIADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000303662250 1056398193 /nfs/dbraw/zinc/39/81/93/1056398193.db2.gz NEBLHJLRHJZWMY-JTQLQIEISA-N -1 3 307.752 4.317 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC001544350098 1056412369 /nfs/dbraw/zinc/41/23/69/1056412369.db2.gz NJGURHFRYJAOAM-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc3c(c2)CCCC3)n1 ZINC001613875907 1056414814 /nfs/dbraw/zinc/41/48/14/1056414814.db2.gz RUTNXNUFIBSWRA-LBPRGKRZSA-N -1 3 300.427 4.223 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1[O-] ZINC001544444566 1056432265 /nfs/dbraw/zinc/43/22/65/1056432265.db2.gz WYZJHEBDUKUNDW-UHFFFAOYSA-N -1 3 321.380 4.097 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1 ZINC001544444708 1056432301 /nfs/dbraw/zinc/43/23/01/1056432301.db2.gz CLLFRZXHYQAUMU-UHFFFAOYSA-N -1 3 313.401 4.114 20 0 DIADHM Cc1cccc(C(=O)N(Cc2ccco2)c2ccccc2)c1[O-] ZINC001584859270 1056433165 /nfs/dbraw/zinc/43/31/65/1056433165.db2.gz XNRIHQHSAZPSNS-UHFFFAOYSA-N -1 3 307.349 4.141 20 0 DIADHM Cc1ccc2sc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)nc2c1 ZINC001614980768 1056461083 /nfs/dbraw/zinc/46/10/83/1056461083.db2.gz FFGDVVIXFWGHMR-JTQLQIEISA-N -1 3 317.439 4.262 20 0 DIADHM Cc1occc1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001544594765 1056463464 /nfs/dbraw/zinc/46/34/64/1056463464.db2.gz 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/nfs/dbraw/zinc/60/64/95/1056606495.db2.gz ZWJFWQWLTJDNPG-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c([O-])c1 ZINC001585775324 1056620203 /nfs/dbraw/zinc/62/02/03/1056620203.db2.gz PMJWQKYICWPMPB-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM Cc1cccc2c1OCC[C@H]2OC(=O)c1cccc(Cl)c1[O-] ZINC001128196338 1056659112 /nfs/dbraw/zinc/65/91/12/1056659112.db2.gz VTEGFJSYWGOELW-CQSZACIVSA-N -1 3 318.756 4.035 20 0 DIADHM COc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)C(C(C)C)=NCC2 ZINC001240736033 1056668809 /nfs/dbraw/zinc/66/88/09/1056668809.db2.gz GVVCDCDGXAHAGE-UHFFFAOYSA-N -1 3 323.392 4.062 20 0 DIADHM Cc1cc(OCc2ccccc2)ncc1-c1ccc([O-])c(F)c1 ZINC001240790502 1056702157 /nfs/dbraw/zinc/70/21/57/1056702157.db2.gz MSKQTJCHNJBXKM-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC001617057085 1056767719 /nfs/dbraw/zinc/76/77/19/1056767719.db2.gz GCNZDUDLWLBIMY-JKSUJKDBSA-N -1 3 303.446 4.289 20 0 DIADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1[O-] ZINC001586658683 1056775816 /nfs/dbraw/zinc/77/58/16/1056775816.db2.gz KKZFWLCSGQAROB-WBVHZDCISA-N -1 3 323.436 4.281 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(OC)c3ccccc23)c1[O-] ZINC001586701225 1056787014 /nfs/dbraw/zinc/78/70/14/1056787014.db2.gz HALBXLPCVWRVRQ-UHFFFAOYSA-N -1 3 321.376 4.369 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2C)C2CC2)c([O-])c1 ZINC001617225926 1056797356 /nfs/dbraw/zinc/79/73/56/1056797356.db2.gz KAZVGKPZOHCBQF-LJQANCHMSA-N -1 3 309.409 4.144 20 0 DIADHM C[C@H]1CCCCN1c1nc2ccccc2nc1-c1ccccc1[O-] ZINC001241007651 1056811518 /nfs/dbraw/zinc/81/15/18/1056811518.db2.gz GURVSWQCVUBIOB-AWEZNQCLSA-N -1 3 319.408 4.381 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)c([O-])c1 ZINC001586821774 1056813238 /nfs/dbraw/zinc/81/32/38/1056813238.db2.gz AOMOSDRUUKJSRD-UHFFFAOYSA-N -1 3 313.397 4.378 20 0 DIADHM [O-]c1ccccc1-c1ccc(-c2cccc(OC(F)F)c2)nn1 ZINC001241009475 1056814031 /nfs/dbraw/zinc/81/40/31/1056814031.db2.gz 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[O-]c1cc(F)cc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)c1 ZINC001241271075 1056990268 /nfs/dbraw/zinc/99/02/68/1056990268.db2.gz KVBKNHSQHQOFRK-UHFFFAOYSA-N -1 3 322.204 4.418 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1cc([O-])cc(F)c1 ZINC001241272006 1056990400 /nfs/dbraw/zinc/99/04/00/1056990400.db2.gz XXJPTYAMYRCLNK-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3cc([O-])cc(F)c3)cc12 ZINC001241272045 1056990529 /nfs/dbraw/zinc/99/05/29/1056990529.db2.gz MHXXLNBAGCYQND-UHFFFAOYSA-N -1 3 314.312 4.050 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1cc([O-])cc(F)c1 ZINC001241272156 1056990909 /nfs/dbraw/zinc/99/09/09/1056990909.db2.gz NPTZAMRJNUHNBX-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)c1ccc(C(C)C)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241293997 1057000916 /nfs/dbraw/zinc/00/09/16/1057000916.db2.gz HMVMVKDJWPSEIG-UHFFFAOYSA-N -1 3 306.308 4.247 20 0 DIADHM COc1ccc2nc(C)cc(-c3c(F)ccc([O-])c3F)c2c1 ZINC001241293951 1057001281 /nfs/dbraw/zinc/00/12/81/1057001281.db2.gz 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COCc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1F ZINC001242166401 1057285527 /nfs/dbraw/zinc/28/55/27/1057285527.db2.gz RAMDHTGUFVMHNC-UHFFFAOYSA-N -1 3 300.251 4.364 20 0 DIADHM COC(=O)c1cc2cc(-c3ccc(F)cc3[O-])ccc2s1 ZINC001242217893 1057297000 /nfs/dbraw/zinc/29/70/00/1057297000.db2.gz LVYQNRWAEZUGPM-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2ccc(F)cc2[O-])c1 ZINC001242218688 1057298100 /nfs/dbraw/zinc/29/81/00/1057298100.db2.gz LDQKZZDPVCCBCP-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc(OCc2ccc(F)cc2)nc1 ZINC001242219509 1057298284 /nfs/dbraw/zinc/29/82/84/1057298284.db2.gz ITCIEGQWJYITBZ-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2ccc(F)cc2[O-])cc1F ZINC001242221747 1057299204 /nfs/dbraw/zinc/29/92/04/1057299204.db2.gz WWTZAHWUMKZWDE-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc(F)c1[O-] ZINC001242351544 1057342199 /nfs/dbraw/zinc/34/21/99/1057342199.db2.gz ZEAFSWDNUCXRKF-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)c1cc2ccc(-c3cccc(F)c3[O-])cc2s1 ZINC001242351073 1057342334 /nfs/dbraw/zinc/34/23/34/1057342334.db2.gz CZWUTOCEHLHQLD-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242353382 1057342356 /nfs/dbraw/zinc/34/23/56/1057342356.db2.gz NUPRQVSMWVSKLI-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM COC(=O)c1cc(-c2cccc(F)c2[O-])cc(C(F)(F)F)c1 ZINC001242352186 1057342451 /nfs/dbraw/zinc/34/24/51/1057342451.db2.gz QASNZSLXESIAME-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)[C@@H](c1ccc(-c2cccc(F)c2[O-])cc1)C(C)C ZINC001242352025 1057342600 /nfs/dbraw/zinc/34/26/00/1057342600.db2.gz IBAAISIXOZQPML-MRXNPFEDSA-N -1 3 302.345 4.111 20 0 DIADHM COC(=O)c1cc2cccc(-c3cccc(F)c3[O-])c2s1 ZINC001242351794 1057342608 /nfs/dbraw/zinc/34/26/08/1057342608.db2.gz UCMNQVNUPNVLGE-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352348 1057342707 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[O-]c1cc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)ccc1F ZINC001243049890 1057559090 /nfs/dbraw/zinc/55/90/90/1057559090.db2.gz BPUNTJNFRYPXQY-UHFFFAOYSA-N -1 3 322.204 4.418 20 0 DIADHM [O-]c1cc(-c2ccc3nnc(-c4cccc(F)c4)n3c2)ccc1F ZINC001243062977 1057562583 /nfs/dbraw/zinc/56/25/83/1057562583.db2.gz RBGYYWNGBCWNNJ-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C(C(C)C)=NCC3)ccc1C(=O)[O-] ZINC001243218239 1057609069 /nfs/dbraw/zinc/60/90/69/1057609069.db2.gz TWXKZZCNPATPFP-UHFFFAOYSA-N -1 3 307.393 4.361 20 0 DIADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000525920855 1057657240 /nfs/dbraw/zinc/65/72/40/1057657240.db2.gz RDPBRENJLZZFMY-CYBMUJFWSA-N -1 3 323.367 4.218 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000526908362 1057659051 /nfs/dbraw/zinc/65/90/51/1057659051.db2.gz JGYRJNUAEMJMKL-AWEZNQCLSA-N -1 3 305.377 4.345 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]1Cc1ccccc1 ZINC000527177056 1057661533 /nfs/dbraw/zinc/66/15/33/1057661533.db2.gz IYKDTKDMMHXRQO-SFHVURJKSA-N -1 3 317.388 4.003 20 0 DIADHM O=C(NC1(c2ccccc2F)CC1)c1cc([O-])c2ccccc2c1 ZINC000527455828 1057663887 /nfs/dbraw/zinc/66/38/87/1057663887.db2.gz SQQMCALSKTTZQG-UHFFFAOYSA-N -1 3 321.351 4.104 20 0 DIADHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527446749 1057664026 /nfs/dbraw/zinc/66/40/26/1057664026.db2.gz MODUYYKEFZZBAU-CYBMUJFWSA-N -1 3 321.376 4.045 20 0 DIADHM O=C(NCc1cc2ccccc2o1)c1cc([O-])c2ccccc2c1 ZINC000527448519 1057664069 /nfs/dbraw/zinc/66/40/69/1057664069.db2.gz UNFYYFPBYFJHJM-UHFFFAOYSA-N -1 3 317.344 4.222 20 0 DIADHM [O-]c1cccc(-c2ccc3nnc(-c4cccc(F)c4)n3c2)c1F ZINC001243546150 1057709870 /nfs/dbraw/zinc/70/98/70/1057709870.db2.gz UKAYWFCWVRVYPI-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc([O-])c1F ZINC001243547074 1057710250 /nfs/dbraw/zinc/71/02/50/1057710250.db2.gz KUSKVBLQTCFTSL-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cc(N2CCCCC2)ccn1 ZINC001243607139 1057731122 /nfs/dbraw/zinc/73/11/22/1057731122.db2.gz NUDCAMBSNOYQQB-UHFFFAOYSA-N -1 3 322.330 4.463 20 0 DIADHM C/C=C\c1ccc(Oc2nc3ccccc3c(=O)[n-]2)c(OC)c1 ZINC000731917117 1057759042 /nfs/dbraw/zinc/75/90/42/1057759042.db2.gz XAABKOPJMUOEAZ-UTCJRWHESA-N -1 3 308.337 4.169 20 0 DIADHM CC(=O)OCc1cccc(C)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001243719849 1057761396 /nfs/dbraw/zinc/76/13/96/1057761396.db2.gz ZQTIXRFKCUNFBV-UHFFFAOYSA-N -1 3 311.406 4.021 20 0 DIADHM C/C(=C\C(=O)Nc1cc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000732276957 1057772305 /nfs/dbraw/zinc/77/23/05/1057772305.db2.gz YAFIMHLXYUCOAX-JXMROGBWSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1nc2c(s1)[C@H](OC(=O)c1cc3ccsc3[n-]1)CCC2 ZINC000733066579 1057800425 /nfs/dbraw/zinc/80/04/25/1057800425.db2.gz HAENYLXXIZETPG-GFCCVEGCSA-N -1 3 318.423 4.229 20 0 DIADHM FC(F)(F)c1cccc(Cl)c1-c1ccccc1-c1nnn[n-]1 ZINC001243957684 1057819292 /nfs/dbraw/zinc/81/92/92/1057819292.db2.gz RRHJFEQXHJFVIE-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cccc(Cl)c1-c1ccccc1-c1nn[n-]n1 ZINC001243957684 1057819297 /nfs/dbraw/zinc/81/92/97/1057819297.db2.gz RRHJFEQXHJFVIE-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001243981485 1057827911 /nfs/dbraw/zinc/82/79/11/1057827911.db2.gz DWTSIFROBHQYPB-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001243981485 1057827913 /nfs/dbraw/zinc/82/79/13/1057827913.db2.gz DWTSIFROBHQYPB-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(C)c1ccc(N)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001244207326 1057900200 /nfs/dbraw/zinc/90/02/00/1057900200.db2.gz JXTPONRFXMZRIW-UHFFFAOYSA-N -1 3 313.348 4.157 20 0 DIADHM CC(C)(C)c1nccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244454870 1057962551 /nfs/dbraw/zinc/96/25/51/1057962551.db2.gz AKIPKMIRENBEQT-UHFFFAOYSA-N -1 3 312.291 4.045 20 0 DIADHM Cc1nc2ccccc2nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244456083 1057963167 /nfs/dbraw/zinc/96/31/67/1057963167.db2.gz OZDZWJMEBCGZCS-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM Cc1ccc2c(c1)ncnc2-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244455930 1057963353 /nfs/dbraw/zinc/96/33/53/1057963353.db2.gz NAASUAKVCFOZAK-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc(C(C)C)n1 ZINC001244458538 1057963740 /nfs/dbraw/zinc/96/37/40/1057963740.db2.gz RFFGYDBIAYSKIG-UHFFFAOYSA-N -1 3 312.291 4.180 20 0 DIADHM CCCCc1cc(-c2cc(OC(F)(F)F)ccc2[O-])ncn1 ZINC001244458367 1057963972 /nfs/dbraw/zinc/96/39/72/1057963972.db2.gz JCDPJCFKXNTQAE-UHFFFAOYSA-N -1 3 312.291 4.090 20 0 DIADHM O=C(c1cccc(-c2ccc(Cl)cc2[O-])c1)N1CCCCC1 ZINC001244469487 1057968044 /nfs/dbraw/zinc/96/80/44/1057968044.db2.gz KTAQXPMCUNHSIQ-UHFFFAOYSA-N -1 3 315.800 4.339 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1cnc2nc(C(F)(F)F)oc2c1 ZINC001244469671 1057968207 /nfs/dbraw/zinc/96/82/07/1057968207.db2.gz PKNONAWQSVIQLU-UHFFFAOYSA-N -1 3 314.650 4.268 20 0 DIADHM COC(=O)c1ccc(C2CC2)c(-c2ccc(Cl)cc2[O-])c1 ZINC001244470925 1057968689 /nfs/dbraw/zinc/96/86/89/1057968689.db2.gz BZYQVEXGJCGJLT-UHFFFAOYSA-N -1 3 302.757 4.377 20 0 DIADHM CCOC(=O)CCc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244470337 1057968829 /nfs/dbraw/zinc/96/88/29/1057968829.db2.gz ZNNPULVDANZYNM-UHFFFAOYSA-N -1 3 304.773 4.208 20 0 DIADHM COC(=O)c1cc2cc(-c3ccc(Cl)cc3[O-])c(F)cc2[nH]1 ZINC001244472181 1057969256 /nfs/dbraw/zinc/96/92/56/1057969256.db2.gz MTXMNZFUKWRFID-UHFFFAOYSA-N -1 3 319.719 4.120 20 0 DIADHM O=c1ccc(-c2ccc(Cl)cc2[O-])cn1-c1cccc(F)c1 ZINC001244472523 1057969273 /nfs/dbraw/zinc/96/92/73/1057969273.db2.gz KUHPMFMBVLOIGK-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM CC(C)C(=O)NCCc1ccc(-c2ccc(Cl)cc2[O-])cc1 ZINC001244472696 1057969275 /nfs/dbraw/zinc/96/92/75/1057969275.db2.gz POLXEFPVDHUOBX-UHFFFAOYSA-N -1 3 317.816 4.027 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc(OCC(F)(F)F)nc1 ZINC001244472480 1057969375 /nfs/dbraw/zinc/96/93/75/1057969375.db2.gz NJPCJNURRAZEPO-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM COCOc1ccc(Cl)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001244479102 1057971786 /nfs/dbraw/zinc/97/17/86/1057971786.db2.gz SJCNRWYPVJQRHO-UHFFFAOYSA-N -1 3 319.813 4.285 20 0 DIADHM Cc1cc(-c2nc(C(F)(F)F)nc3ccccc32)cc([O-])c1F ZINC001244495660 1057975434 /nfs/dbraw/zinc/97/54/34/1057975434.db2.gz HDGJTSIBCSTPDK-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1ccc(-c2c(Cl)cc(F)cc2Cl)cc1-c1nnn[n-]1 ZINC001244500275 1057976376 /nfs/dbraw/zinc/97/63/76/1057976376.db2.gz NKBHATZWEXFYOI-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1ccc(-c2c(Cl)cc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC001244500275 1057976379 /nfs/dbraw/zinc/97/63/79/1057976379.db2.gz NKBHATZWEXFYOI-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1cc(-c2cncc(Oc3cccc(F)c3)n2)cc([O-])c1F ZINC001244506069 1057979714 /nfs/dbraw/zinc/97/97/14/1057979714.db2.gz BTRMFPVNWXRNNR-UHFFFAOYSA-N -1 3 314.291 4.228 20 0 DIADHM Cc1cc(-c2nccnc2C2SCCCS2)cc([O-])c1F ZINC001244506231 1057979878 /nfs/dbraw/zinc/97/98/78/1057979878.db2.gz KEQTZGIZBZUXEU-UHFFFAOYSA-N -1 3 322.430 4.165 20 0 DIADHM Cc1sc2nc(C)nc(-c3cc(C)c(F)c([O-])c3)c2c1C ZINC001244505738 1057979906 /nfs/dbraw/zinc/97/99/06/1057979906.db2.gz JDLNGNXEJPUYKO-UHFFFAOYSA-N -1 3 302.374 4.437 20 0 DIADHM Cc1cc(-c2ncnc3c2ccn3C2CCCC2)cc([O-])c1F ZINC001244507656 1057980519 /nfs/dbraw/zinc/98/05/19/1057980519.db2.gz VSAROPMTALHUPZ-UHFFFAOYSA-N -1 3 311.360 4.367 20 0 DIADHM Cc1cc(Cl)c(-c2ccc(Cc3nnn[n-]3)cc2)c(Cl)c1 ZINC001244508224 1057981038 /nfs/dbraw/zinc/98/10/38/1057981038.db2.gz YJWBWPZXUTZDPC-UHFFFAOYSA-N -1 3 319.195 4.073 20 0 DIADHM Cc1cc(Cl)c(-c2ccc(Cc3nn[n-]n3)cc2)c(Cl)c1 ZINC001244508224 1057981040 /nfs/dbraw/zinc/98/10/40/1057981040.db2.gz YJWBWPZXUTZDPC-UHFFFAOYSA-N -1 3 319.195 4.073 20 0 DIADHM Cc1noc(-c2ccc(-c3cc(C)c(F)c([O-])c3)cc2F)n1 ZINC001244515774 1057983001 /nfs/dbraw/zinc/98/30/01/1057983001.db2.gz NHNAESNPBANFJZ-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1cc(-c2ccc(C3(C(F)(F)F)CC3)cn2)cc([O-])c1F ZINC001244516689 1057983084 /nfs/dbraw/zinc/98/30/84/1057983084.db2.gz BSKICSJRGBULGY-UHFFFAOYSA-N -1 3 311.278 4.496 20 0 DIADHM Cc1cc(-c2cccc(C(=O)N3CCCCC3)c2)cc([O-])c1F ZINC001244519255 1057984038 /nfs/dbraw/zinc/98/40/38/1057984038.db2.gz FQRASGSIYBFAFX-UHFFFAOYSA-N -1 3 313.372 4.133 20 0 DIADHM Cc1cc(-c2ccc3nc4c(cc3c2)CCCO4)cc([O-])c1F ZINC001244521993 1057984471 /nfs/dbraw/zinc/98/44/71/1057984471.db2.gz ZSJHVSWKXVOCFG-UHFFFAOYSA-N -1 3 309.340 4.380 20 0 DIADHM Cc1cc(-c2ccc3nnc(-c4ccccc4)n3c2)cc([O-])c1F ZINC001244524809 1057985403 /nfs/dbraw/zinc/98/54/03/1057985403.db2.gz GLSRGSONPABOQV-UHFFFAOYSA-N -1 3 319.339 4.216 20 0 DIADHM CCOC(=O)c1c[nH]c2c1cccc2-c1cc(C)c(F)c([O-])c1 ZINC001244524726 1057985521 /nfs/dbraw/zinc/98/55/21/1057985521.db2.gz GAWLUSZKURVIQR-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM Cc1cc(-c2cccc(-c3cc[nH]c(=S)n3)c2)cc([O-])c1F ZINC001244525626 1057985652 /nfs/dbraw/zinc/98/56/52/1057985652.db2.gz PXCKKZAGUOZAFE-UHFFFAOYSA-N -1 3 312.369 4.252 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)c(C)cc1F ZINC001244537757 1057990061 /nfs/dbraw/zinc/99/00/61/1057990061.db2.gz FMXXIJQGBTXHFD-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM Cc1cc(-c2cccc3c2CN(C2CC2)C3=O)cc(Cl)c1[O-] ZINC001244546710 1057992825 /nfs/dbraw/zinc/99/28/25/1057992825.db2.gz HLRRQZPOCPJZAR-UHFFFAOYSA-N -1 3 313.784 4.139 20 0 DIADHM Cc1cc(-c2ccc(C(=O)OC(C)C)nc2C)cc(Cl)c1[O-] ZINC001244553761 1057994358 /nfs/dbraw/zinc/99/43/58/1057994358.db2.gz IUVPESUHYBIXDL-UHFFFAOYSA-N -1 3 319.788 4.290 20 0 DIADHM COC(=O)c1ccc(C)c(-c2cc(C)c([O-])c(Cl)c2)c1C ZINC001244553762 1057994468 /nfs/dbraw/zinc/99/44/68/1057994468.db2.gz IVYQSOZUCPSAOQ-UHFFFAOYSA-N -1 3 304.773 4.424 20 0 DIADHM Cc1c(CO)ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1Cl ZINC001244971414 1058083905 /nfs/dbraw/zinc/08/39/05/1058083905.db2.gz GPZQIWFOYORWJE-UHFFFAOYSA-N -1 3 303.814 4.103 20 0 DIADHM CCOc1cc(C)cc(F)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001245013789 1058092912 /nfs/dbraw/zinc/09/29/12/1058092912.db2.gz GMYYOLMKRMEBLR-UHFFFAOYSA-N -1 3 301.386 4.495 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1cnc2nc(C(F)(F)F)oc2c1 ZINC001245050740 1058103314 /nfs/dbraw/zinc/10/33/14/1058103314.db2.gz MRRIVSXMSPHKCM-UHFFFAOYSA-N -1 3 314.650 4.268 20 0 DIADHM [O-]c1ccc(-c2cc(OCc3ccccc3)cnn2)c(Cl)c1 ZINC001245077531 1058107099 /nfs/dbraw/zinc/10/70/99/1058107099.db2.gz BBKCLSKOQBQBAY-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1ccc(-c2cnc(OCc3ccccc3)cn2)c(Cl)c1 ZINC001245077911 1058107517 /nfs/dbraw/zinc/10/75/17/1058107517.db2.gz JIROLENPWUOHHH-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1ccc(-c2ncnc3[nH]c4cc(F)ccc4c32)c(Cl)c1 ZINC001245079032 1058107733 /nfs/dbraw/zinc/10/77/33/1058107733.db2.gz KGHXOJCXYUWXEQ-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM COc1ccc(C(F)(F)F)nc1-c1ccc([O-])cc1Cl ZINC001245078561 1058107790 /nfs/dbraw/zinc/10/77/90/1058107790.db2.gz PWJPSBJKMOKPPH-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM [O-]c1ccc(-c2nccc(N3Cc4ccccc4C3)n2)c(Cl)c1 ZINC001245078404 1058107840 /nfs/dbraw/zinc/10/78/40/1058107840.db2.gz IVENKBBVEJDCES-UHFFFAOYSA-N -1 3 323.783 4.023 20 0 DIADHM COC(=O)c1cc(-c2ccc([O-])cc2Cl)nc2ccccc21 ZINC001245080141 1058108510 /nfs/dbraw/zinc/10/85/10/1058108510.db2.gz ZINOIEFDTWGURS-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)nc2)c([O-])c1 ZINC001545051131 1058177094 /nfs/dbraw/zinc/17/70/94/1058177094.db2.gz ZXQRDNGAAKCZOB-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC1 ZINC001545172287 1058185799 /nfs/dbraw/zinc/18/57/99/1058185799.db2.gz WBDMXQZKFHCMIJ-UHFFFAOYSA-N -1 3 311.381 4.105 20 0 DIADHM COC(=O)c1cc(-c2c([O-])cccc2F)ccc1C(F)(F)F ZINC001245654754 1058314253 /nfs/dbraw/zinc/31/42/53/1058314253.db2.gz HJQXSHJHHHCRBW-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(OCc2ccccc2F)nc1 ZINC001245656483 1058314056 /nfs/dbraw/zinc/31/40/56/1058314056.db2.gz WIDZBLKREGUCBG-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1ncc(Cl)cc1Cl ZINC001518467100 1058347622 /nfs/dbraw/zinc/34/76/22/1058347622.db2.gz IWUJWLWCQLPMFC-UHFFFAOYSA-N -1 3 314.172 4.061 20 0 DIADHM Cc1c(F)ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1F ZINC001245692818 1058358323 /nfs/dbraw/zinc/35/83/23/1058358323.db2.gz BAPVEMANNPILKD-UHFFFAOYSA-N -1 3 306.259 4.038 20 0 DIADHM FC(F)(F)c1cccc(-c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC001245710682 1058381993 /nfs/dbraw/zinc/38/19/93/1058381993.db2.gz MBZVSTJQVBCQGX-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cccc(-c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001245710682 1058382006 /nfs/dbraw/zinc/38/20/06/1058382006.db2.gz MBZVSTJQVBCQGX-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM Cc1cc(F)c(-c2ccccc2-c2nnn[n-]2)c(Cl)c1Cl ZINC001245734346 1058416453 /nfs/dbraw/zinc/41/64/53/1058416453.db2.gz RKNWUAYCXUEVFR-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1cc(F)c(-c2ccccc2-c2nn[n-]n2)c(Cl)c1Cl ZINC001245734346 1058416457 /nfs/dbraw/zinc/41/64/57/1058416457.db2.gz RKNWUAYCXUEVFR-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM CSc1ccc(F)c(C)c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001245758102 1058440039 /nfs/dbraw/zinc/44/00/39/1058440039.db2.gz PTCLIFCQLVKAEX-UHFFFAOYSA-N -1 3 314.389 4.012 20 0 DIADHM CSc1ccc(F)c(C)c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001245758102 1058440042 /nfs/dbraw/zinc/44/00/42/1058440042.db2.gz PTCLIFCQLVKAEX-UHFFFAOYSA-N -1 3 314.389 4.012 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc2c(c1)CCC2 ZINC001556063367 1058538890 /nfs/dbraw/zinc/53/88/90/1058538890.db2.gz YYUJQOPNDCEDMF-LLVKDONJSA-N -1 3 315.800 4.025 20 0 DIADHM CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081635 1058541640 /nfs/dbraw/zinc/54/16/40/1058541640.db2.gz FTWWYXHWIXOMGZ-UHFFFAOYSA-N -1 3 319.788 4.477 20 0 DIADHM CSCCCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081725 1058542495 /nfs/dbraw/zinc/54/24/95/1058542495.db2.gz JDTJRBZXTLUQLX-UHFFFAOYSA-N -1 3 301.839 4.298 20 0 DIADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c1[O-] ZINC001556529614 1058608178 /nfs/dbraw/zinc/60/81/78/1058608178.db2.gz OUEIIDIIPJCMKB-KSSFIOAISA-N -1 3 309.409 4.178 20 0 DIADHM CCc1cccc(C(=O)N2Cc3ccccc3C3(CCC3)C2)c1[O-] ZINC001556553157 1058610875 /nfs/dbraw/zinc/61/08/75/1058610875.db2.gz XOZXZKQVQWFGFO-UHFFFAOYSA-N -1 3 321.420 4.032 20 0 DIADHM CCCCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001520548785 1058636384 /nfs/dbraw/zinc/63/63/84/1058636384.db2.gz KZUHJMVYUASUNB-LBPRGKRZSA-N -1 3 305.315 4.325 20 0 DIADHM O=C(CCCCc1ccccc1)Nc1c([O-])cccc1Cl ZINC001556784351 1058642107 /nfs/dbraw/zinc/64/21/07/1058642107.db2.gz RNLOTYJZMWDRGR-UHFFFAOYSA-N -1 3 303.789 4.397 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001556804086 1058646415 /nfs/dbraw/zinc/64/64/15/1058646415.db2.gz UBEBMKPPNWZQQB-LSDHHAIUSA-N -1 3 307.434 4.063 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c1[O-] ZINC001556830737 1058651240 /nfs/dbraw/zinc/65/12/40/1058651240.db2.gz ONEKFQABXDUWHK-LJQANCHMSA-N -1 3 321.420 4.322 20 0 DIADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC001557027847 1058687768 /nfs/dbraw/zinc/68/77/68/1058687768.db2.gz BNXWPNYYDMPGCU-CVEARBPZSA-N -1 3 303.446 4.291 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C=CCCC3)c1 ZINC001557518539 1058761891 /nfs/dbraw/zinc/76/18/91/1058761891.db2.gz SUICKXUGZRMKGY-UHFFFAOYSA-N -1 3 309.365 4.003 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc3c2OC(C)(C)CC3)c1 ZINC001557604710 1058774937 /nfs/dbraw/zinc/77/49/37/1058774937.db2.gz ZVEUGGQZZOGBLU-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM CC(C)Sc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC001521223661 1058791602 /nfs/dbraw/zinc/79/16/02/1058791602.db2.gz LADWPDGTYSKTFF-SECBINFHSA-N -1 3 323.355 4.265 20 0 DIADHM CCc1cccc(C(=O)N(CC2CC2)c2cccc(F)c2)c1[O-] ZINC001557955651 1058819680 /nfs/dbraw/zinc/81/96/80/1058819680.db2.gz ARXIHKYJPDYQRN-UHFFFAOYSA-N -1 3 313.372 4.151 20 0 DIADHM O=C(Nc1ncsc1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001558174811 1058848831 /nfs/dbraw/zinc/84/88/31/1058848831.db2.gz UZWOXLKDOARUJC-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001558342483 1058859453 /nfs/dbraw/zinc/85/94/53/1058859453.db2.gz VUCIVGCYBHEKSJ-UHFFFAOYSA-N -1 3 314.316 4.449 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1noc2c1CC(C)(C)CC2 ZINC001530243108 1058979988 /nfs/dbraw/zinc/97/99/88/1058979988.db2.gz BKHVADPYDIUITK-UHFFFAOYSA-N -1 3 316.426 4.164 20 0 DIADHM O=c1nc(Cl)cc(N2CCc3c2cccc3-c2ccccc2)[n-]1 ZINC001559160574 1059043500 /nfs/dbraw/zinc/04/35/00/1059043500.db2.gz WDHDYTFITXBEFK-UHFFFAOYSA-N -1 3 323.783 4.197 20 0 DIADHM Cc1ccc(Cl)cc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247564876 1059547044 /nfs/dbraw/zinc/54/70/44/1059547044.db2.gz PRRIZZVBEKWJJG-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2cc(F)ccc2F)cc1Cl ZINC001248589269 1059904877 /nfs/dbraw/zinc/90/48/77/1059904877.db2.gz IAENVKOHVAOBMC-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM CCc1cccc(CC)c1NC(=S)Nc1ccc([O-])c(F)c1 ZINC001248668838 1059927284 /nfs/dbraw/zinc/92/72/84/1059927284.db2.gz OSYHWRROFGQLAT-UHFFFAOYSA-N -1 3 318.417 4.465 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1scnc1C(F)F ZINC001525644817 1059970245 /nfs/dbraw/zinc/97/02/45/1059970245.db2.gz PLWKFQWDOSUNDK-UHFFFAOYSA-N -1 3 314.382 4.363 20 0 DIADHM Cc1cc(C)c(NC(=S)Nc2ccc(F)c([O-])c2)c(C)c1 ZINC001249731745 1060379573 /nfs/dbraw/zinc/37/95/73/1060379573.db2.gz QBTMZUMCMTYXBZ-UHFFFAOYSA-N -1 3 304.390 4.265 20 0 DIADHM CC(C)Oc1cc(F)c(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001249778056 1060395864 /nfs/dbraw/zinc/39/58/64/1060395864.db2.gz ATBQXMNOWYUHDG-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM CC(C)c1cncc(NCc2cccc([O-])c2Br)c1 ZINC001560607220 1060421243 /nfs/dbraw/zinc/42/12/43/1060421243.db2.gz WIASNOHEJUFJKO-UHFFFAOYSA-N -1 3 321.218 4.285 20 0 DIADHM CCn1c2cc(F)ccc2nc1NCc1cccc([O-])c1Cl ZINC001560621040 1060432847 /nfs/dbraw/zinc/43/28/47/1060432847.db2.gz BHLCYFLCRVWZLI-UHFFFAOYSA-N -1 3 319.767 4.166 20 0 DIADHM O=C1CCCCc2ccc(Nc3cc(F)cc(F)c3[O-])cc21 ZINC001249895622 1060461736 /nfs/dbraw/zinc/46/17/36/1060461736.db2.gz JNQSTFXQHLLAOF-UHFFFAOYSA-N -1 3 303.308 4.323 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(Cl)c3nccn3c2)cc1Cl ZINC001250023582 1060548627 /nfs/dbraw/zinc/54/86/27/1060548627.db2.gz QAUQBZDLOGJBMN-UHFFFAOYSA-N -1 3 312.131 4.229 20 0 DIADHM Nc1cc(Cl)cc2ccn(-c3cc(Cl)c([O-])cc3F)c21 ZINC001250026542 1060553718 /nfs/dbraw/zinc/55/37/18/1060553718.db2.gz QHGZIDZMGJNWNG-UHFFFAOYSA-N -1 3 311.143 4.364 20 0 DIADHM O=c1cc(Nc2c(F)ccc(Cl)c2F)[n-]n1-c1ccccc1 ZINC001250090092 1060597836 /nfs/dbraw/zinc/59/78/36/1060597836.db2.gz FOTOZNKBZWBOIA-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Fc1ccc(Cl)c(F)c1[N-]c1cc(-c2ccccn2)no1 ZINC001250090610 1060599083 /nfs/dbraw/zinc/59/90/83/1060599083.db2.gz QRNAKMVGLHNCQR-UHFFFAOYSA-N -1 3 307.687 4.412 20 0 DIADHM CCOc1nccc([N-]c2nc3ccc(F)cc3o2)c1Cl ZINC001250247180 1060726091 /nfs/dbraw/zinc/72/60/91/1060726091.db2.gz WYGJTPAGFMGIAG-UHFFFAOYSA-N -1 3 307.712 4.158 20 0 DIADHM COc1cc(Nc2ccc([O-])c(F)c2F)c(F)c(F)c1Cl ZINC001250266196 1060743041 /nfs/dbraw/zinc/74/30/41/1060743041.db2.gz AJJAYUHDUWRVBH-UHFFFAOYSA-N -1 3 321.657 4.354 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(Cc2ccc(F)c([O-])c2)c1 ZINC001250300033 1060767425 /nfs/dbraw/zinc/76/74/25/1060767425.db2.gz KCHVAETYBBFIHY-UHFFFAOYSA-N -1 3 302.345 4.077 20 0 DIADHM Cc1cccc2c1nc(-c1cc(Br)ccc1[O-])n2C ZINC001250457885 1060817049 /nfs/dbraw/zinc/81/70/49/1060817049.db2.gz GJXLQXWIGSICHI-UHFFFAOYSA-N -1 3 317.186 4.017 20 0 DIADHM Cc1ccc2[nH]c(-c3cc(Br)ccc3[O-])nc2c1F ZINC001250457763 1060817643 /nfs/dbraw/zinc/81/76/43/1060817643.db2.gz BUYGJGSTYOWXGU-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM CCSc1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC001560985014 1060849316 /nfs/dbraw/zinc/84/93/16/1060849316.db2.gz OPXFSKPQMIRVPX-UHFFFAOYSA-N -1 3 309.381 4.072 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3n[nH]c4ccc(Cl)cc43)[n-]c21 ZINC001250629831 1060963911 /nfs/dbraw/zinc/96/39/11/1060963911.db2.gz SZCUNGPLNLRTSF-UHFFFAOYSA-N -1 3 322.677 4.177 20 0 DIADHM CC[C@@H](C)[C@@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462235067 1061046191 /nfs/dbraw/zinc/04/61/91/1061046191.db2.gz NJQSFXXLRRYLIZ-VXGBXAGGSA-N -1 3 316.367 4.020 20 0 DIADHM C[C@@H](NCc1ccc([O-])c(F)c1F)c1cccc(C2CC2)c1 ZINC001462278078 1061072295 /nfs/dbraw/zinc/07/22/95/1061072295.db2.gz KRDNOWHDMUNLCT-LLVKDONJSA-N -1 3 303.352 4.399 20 0 DIADHM [O-]c1ccc(F)cc1-c1nc2c(ccc3ncccc23)n1C1CC1 ZINC001250837953 1061088662 /nfs/dbraw/zinc/08/86/62/1061088662.db2.gz RMLJHDHFIPBAKE-UHFFFAOYSA-N -1 3 319.339 4.431 20 0 DIADHM CC(C)n1c2ccc(C(F)(F)F)cc2nc1-c1ccncc1[O-] ZINC001250858256 1061096883 /nfs/dbraw/zinc/09/68/83/1061096883.db2.gz SEACZNKHQBYHGF-UHFFFAOYSA-N -1 3 321.302 4.404 20 0 DIADHM CCOc1ccc2nc(-c3c([O-])cccc3Cl)n(CC)c2c1 ZINC001250863477 1061099658 /nfs/dbraw/zinc/09/96/58/1061099658.db2.gz FLENPFIVHYMIKZ-UHFFFAOYSA-N -1 3 316.788 4.481 20 0 DIADHM Cc1ccc2nc(-c3cccc([O-])c3Br)[nH]c2c1C ZINC001250880037 1061107693 /nfs/dbraw/zinc/10/76/93/1061107693.db2.gz DOVNXSAHEXPGLH-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM CN(C)c1ccc2[nH]c(-c3c(Cl)cc([O-])cc3Cl)nc2c1 ZINC001250958004 1061146016 /nfs/dbraw/zinc/14/60/16/1061146016.db2.gz ZCNVZEBHQMTLRS-UHFFFAOYSA-N -1 3 322.195 4.308 20 0 DIADHM [O-]c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1C(F)(F)F ZINC001251019664 1061184776 /nfs/dbraw/zinc/18/47/76/1061184776.db2.gz APZVNZRMSQXJPX-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cn1c(-c2ccc([O-])c(C(F)(F)F)c2)nc2cccc(F)c21 ZINC001251020071 1061186052 /nfs/dbraw/zinc/18/60/52/1061186052.db2.gz JDIWYXJBEVAVSC-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM [O-]c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)cc1C(F)(F)F ZINC001251020701 1061187879 /nfs/dbraw/zinc/18/78/79/1061187879.db2.gz RKZFCWGDKUJOFN-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3coc(-c4ccccc4)n3)[n-]c21 ZINC001251029142 1061191529 /nfs/dbraw/zinc/19/15/29/1061191529.db2.gz CJLWUJXUHVKEFL-UHFFFAOYSA-N -1 3 315.254 4.302 20 0 DIADHM COc1cc([O-])c(-c2nc3c(ccc(F)c3C)[nH]2)cc1Cl ZINC001251082011 1061225334 /nfs/dbraw/zinc/22/53/34/1061225334.db2.gz BEGDTGXOPQQURH-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]Oc1ccccc1F ZINC001455482524 1061226468 /nfs/dbraw/zinc/22/64/68/1061226468.db2.gz RWIRTANKEXFZRT-KGLIPLIRSA-N -1 3 313.372 4.225 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3ccc(C(F)(F)F)o3)[n-]c21 ZINC001251107393 1061239472 /nfs/dbraw/zinc/23/94/72/1061239472.db2.gz HHVLHRASHKWQGF-UHFFFAOYSA-N -1 3 306.165 4.259 20 0 DIADHM FC(F)(F)c1cccc2[n-]c(-c3nc4ccccc4o3)nc21 ZINC001251154989 1061252735 /nfs/dbraw/zinc/25/27/35/1061252735.db2.gz QHAXPLPAOHWDBT-UHFFFAOYSA-N -1 3 303.243 4.390 20 0 DIADHM Cc1ccc2nc(-c3c(Cl)c4ccccc4n(C)c3=O)[n-]c2c1 ZINC001251168343 1061257981 /nfs/dbraw/zinc/25/79/81/1061257981.db2.gz DZLWXWHZRYCWHW-UHFFFAOYSA-N -1 3 323.783 4.044 20 0 DIADHM Cc1ccc2[n-]c(-c3c(Cl)c4ccccc4n(C)c3=O)nc2c1 ZINC001251168343 1061258002 /nfs/dbraw/zinc/25/80/02/1061258002.db2.gz DZLWXWHZRYCWHW-UHFFFAOYSA-N -1 3 323.783 4.044 20 0 DIADHM COc1cc(NC(=O)c2cccc(C)c2[O-])cc2ccccc21 ZINC001456177542 1061280929 /nfs/dbraw/zinc/28/09/29/1061280929.db2.gz KKNSLHNELJCUTP-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM Cc1cc(F)cc2nc(-c3cc([O-])cc(Br)c3)[nH]c21 ZINC001251244439 1061287157 /nfs/dbraw/zinc/28/71/57/1061287157.db2.gz DXKLGTSKIWPLIY-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM Cc1c2nc(-c3cc([O-])cc(Br)c3)[nH]c2ccc1F ZINC001251244523 1061287740 /nfs/dbraw/zinc/28/77/40/1061287740.db2.gz JVZGKPHWQGKWKD-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM [O-]c1cccc(-c2nc3cc(-c4ccncc4)ccc3[nH]2)c1F ZINC001251255799 1061290756 /nfs/dbraw/zinc/29/07/56/1061290756.db2.gz ZUDAEBZLMTVPPI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cccc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)c1F ZINC001251255799 1061290773 /nfs/dbraw/zinc/29/07/73/1061290773.db2.gz ZUDAEBZLMTVPPI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CCn1c2ccc(F)cc2nc1-c1ccc(OC)c([O-])c1Cl ZINC001251338396 1061321585 /nfs/dbraw/zinc/32/15/85/1061321585.db2.gz FPYWDAVBHWDYDF-UHFFFAOYSA-N -1 3 320.751 4.230 20 0 DIADHM COc1cc2[nH]c(-c3cccc(C(F)(F)F)c3[O-])nc2cc1C ZINC001251341204 1061325087 /nfs/dbraw/zinc/32/50/87/1061325087.db2.gz RFMFRFVGUJJVID-UHFFFAOYSA-N -1 3 322.286 4.271 20 0 DIADHM COc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)c([O-])c1Cl ZINC001251491287 1061379676 /nfs/dbraw/zinc/37/96/76/1061379676.db2.gz NBVZQFZDVBDWKU-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM O=C(NCC[C@@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC001456974031 1061394598 /nfs/dbraw/zinc/39/45/98/1061394598.db2.gz KITJWLHCFJAKGX-LBPRGKRZSA-N -1 3 319.351 4.101 20 0 DIADHM CC(C)(C)n1c2cc(F)ccc2nc1-c1cc([O-])cc(F)c1 ZINC001251569432 1061404180 /nfs/dbraw/zinc/40/41/80/1061404180.db2.gz FEKXEIKBDHSLLV-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1 ZINC001251569336 1061404900 /nfs/dbraw/zinc/40/49/00/1061404900.db2.gz ASYFNBUAOLJMHK-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Cc1cccc2[n-]c(-c3c(Cl)c4ccccc4[nH]c3=O)nc21 ZINC001251610350 1061416668 /nfs/dbraw/zinc/41/66/68/1061416668.db2.gz WDUSBQBTYLQQJP-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM Cc1cc([O-])c(-c2nc3ccccc3n2C)cc1Br ZINC001251644663 1061430272 /nfs/dbraw/zinc/43/02/72/1061430272.db2.gz ZQYBPDFUBFVAKZ-UHFFFAOYSA-N -1 3 317.186 4.017 20 0 DIADHM [O-]c1c(Cl)cc(F)cc1-c1nc2c([nH]1)c(F)c(F)cc2F ZINC001251658827 1061434262 /nfs/dbraw/zinc/43/42/62/1061434262.db2.gz FCNHUJUYGFOHOE-UHFFFAOYSA-N -1 3 316.641 4.145 20 0 DIADHM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc([O-])ccc1Cl ZINC001457371021 1061445569 /nfs/dbraw/zinc/44/55/69/1061445569.db2.gz VDRQCLYTPAIIAG-SECBINFHSA-N -1 3 322.191 4.290 20 0 DIADHM Cc1ccc(C(=O)N2CCc3cc(C(C)C)ccc3C2)c([O-])c1 ZINC001457373361 1061445818 /nfs/dbraw/zinc/44/58/18/1061445818.db2.gz LXUKGYKSYFSMGO-UHFFFAOYSA-N -1 3 309.409 4.023 20 0 DIADHM CCCCOc1ccc(C(=O)N(C)CC2CCCCC2)c([O-])c1 ZINC001457512458 1061465768 /nfs/dbraw/zinc/46/57/68/1061465768.db2.gz QYPWVWWPCCELAC-UHFFFAOYSA-N -1 3 319.445 4.223 20 0 DIADHM Cc1cccc2[nH]c(-c3cc(C)c(Br)cc3[O-])nc21 ZINC001251859770 1061510691 /nfs/dbraw/zinc/51/06/91/1061510691.db2.gz NXKKGDPZVGODGQ-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCCCC2CCCCC2)c1 ZINC001464141010 1061559570 /nfs/dbraw/zinc/55/95/70/1061559570.db2.gz OPVFQUJFMSTFPW-UHFFFAOYSA-N -1 3 307.459 4.204 20 0 DIADHM CCC(CC)[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccs1 ZINC001464398899 1061589844 /nfs/dbraw/zinc/58/98/44/1061589844.db2.gz BAKRIJMMJYQHAW-MRXNPFEDSA-N -1 3 319.426 4.067 20 0 DIADHM CC[C@H](C)N(CCc1ccccc1F)C(=O)c1ccccc1[O-] ZINC001464539387 1061605672 /nfs/dbraw/zinc/60/56/72/1061605672.db2.gz ZBFHVWQRFWWLOA-AWEZNQCLSA-N -1 3 315.388 4.015 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)C2CCCCCCC2)c1 ZINC001464753149 1061629712 /nfs/dbraw/zinc/62/97/12/1061629712.db2.gz NXLQRHOYPSLUIP-UHFFFAOYSA-N -1 3 307.459 4.299 20 0 DIADHM CCc1ccc(C(=O)NC2(c3cccc(C)c3)CCCC2)c([O-])c1 ZINC001464779984 1061631250 /nfs/dbraw/zinc/63/12/50/1061631250.db2.gz ZVPMUXUMRLZRAW-UHFFFAOYSA-N -1 3 323.436 4.462 20 0 DIADHM C[C@@H]1CCC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464987653 1061660189 /nfs/dbraw/zinc/66/01/89/1061660189.db2.gz UHBDLKWWHONADW-DYVFJYSZSA-N -1 3 311.381 4.103 20 0 DIADHM Clc1cc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)[n-]n1 ZINC001252580473 1061670057 /nfs/dbraw/zinc/67/00/57/1061670057.db2.gz FDCAAJMMNUNPRR-UHFFFAOYSA-N -1 3 322.755 4.447 20 0 DIADHM Cc1c([O-])cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1F ZINC001252786915 1061719447 /nfs/dbraw/zinc/71/94/47/1061719447.db2.gz JITRLSVNGXMJKC-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccccc2[O-])o1 ZINC001465281925 1061726280 /nfs/dbraw/zinc/72/62/80/1061726280.db2.gz KMIPMCITZIBCFN-MRXNPFEDSA-N -1 3 313.397 4.305 20 0 DIADHM CCc1cccc(C(=O)N2CCCCCc3ccccc32)c1[O-] ZINC001465331898 1061736002 /nfs/dbraw/zinc/73/60/02/1061736002.db2.gz CVHIWONWMOVBLN-UHFFFAOYSA-N -1 3 309.409 4.328 20 0 DIADHM Cc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c([O-])c1 ZINC001252859344 1061745833 /nfs/dbraw/zinc/74/58/33/1061745833.db2.gz BUOFCKNMQXIZSB-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465528653 1061772866 /nfs/dbraw/zinc/77/28/66/1061772866.db2.gz WQYCQZQCFIDNSG-YJBOKZPZSA-N -1 3 323.436 4.244 20 0 DIADHM CCc1ccc(-c2nnc(-c3cc([O-])cc(Cl)c3)o2)cc1 ZINC001253021520 1061787966 /nfs/dbraw/zinc/78/79/66/1061787966.db2.gz UKGQPDFQHXAPKP-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM CCOc1cccc(-c2nnc(-c3ccc(CC)cc3)o2)c1[O-] ZINC001253027095 1061788302 /nfs/dbraw/zinc/78/83/02/1061788302.db2.gz PRNHJBRTJSRHLV-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)c([O-])c1 ZINC001465637738 1061790453 /nfs/dbraw/zinc/79/04/53/1061790453.db2.gz FWJCQYBFUOCVAE-CYBMUJFWSA-N -1 3 317.454 4.280 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC001465671064 1061792990 /nfs/dbraw/zinc/79/29/90/1061792990.db2.gz XBTJXXLLBXALDL-FZMZJTMJSA-N -1 3 307.459 4.059 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1cccc(C)c1[O-] ZINC001465965756 1061852106 /nfs/dbraw/zinc/85/21/06/1061852106.db2.gz RMKBCNACJCJHBI-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCC(F)(F)C(=O)[N-]C1(c2c(Cl)cccc2Cl)CC1 ZINC001465993340 1061855706 /nfs/dbraw/zinc/85/57/06/1061855706.db2.gz ZQKBDDIHHPOMJT-UHFFFAOYSA-N -1 3 308.155 4.144 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nnc(Cc2ccccc2)o1 ZINC001253503178 1061906034 /nfs/dbraw/zinc/90/60/34/1061906034.db2.gz CRVGHVQYIHJPFO-UHFFFAOYSA-N -1 3 302.333 4.186 20 0 DIADHM CC(C)(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001466258736 1061907154 /nfs/dbraw/zinc/90/71/54/1061907154.db2.gz YLFQQEUFGIHCMX-UHFFFAOYSA-N -1 3 321.779 4.491 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC001466416823 1061935547 /nfs/dbraw/zinc/93/55/47/1061935547.db2.gz WWDSDWSSHPFUGW-SECBINFHSA-N -1 3 309.818 4.161 20 0 DIADHM Cc1cccc(-c2nnc(-c3cc4cccc(O)c4cc3[O-])o2)c1 ZINC001253622014 1061941472 /nfs/dbraw/zinc/94/14/72/1061941472.db2.gz YSPAZZUXNCALCP-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM C[C@]1(c2ccccc2)CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001474357150 1061974184 /nfs/dbraw/zinc/97/41/84/1061974184.db2.gz BDUNCYQSLWFHGS-IBGZPJMESA-N -1 3 317.379 4.224 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCC=CCCC1 ZINC001466632155 1061976035 /nfs/dbraw/zinc/97/60/35/1061976035.db2.gz FWQFHLDXSDHQNA-NSHDSACASA-N -1 3 324.218 4.230 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001466630816 1061976784 /nfs/dbraw/zinc/97/67/84/1061976784.db2.gz AUSMCOQIEIXDFN-UONOGXRCSA-N -1 3 301.773 4.096 20 0 DIADHM CC1(C(=O)Nc2cc(Br)ccc2[O-])CCCCC1 ZINC001466632344 1061977443 /nfs/dbraw/zinc/97/74/43/1061977443.db2.gz KEHZNCZPZNAPAZ-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CCc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001466629507 1061977774 /nfs/dbraw/zinc/97/77/74/1061977774.db2.gz KLTKYADTMFXLLN-LLVKDONJSA-N -1 3 303.789 4.350 20 0 DIADHM CCc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001466629508 1061978299 /nfs/dbraw/zinc/97/82/99/1061978299.db2.gz KLTKYADTMFXLLN-NSHDSACASA-N -1 3 303.789 4.350 20 0 DIADHM Cc1cc(C)nc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001459033058 1061982515 /nfs/dbraw/zinc/98/25/15/1061982515.db2.gz BBRWBPSWANFNDM-UHFFFAOYSA-N -1 3 323.421 4.153 20 0 DIADHM CCc1cc2c(CSC/C(C)=C\Cl)cc(=O)oc2cc1[O-] ZINC001459057184 1061990615 /nfs/dbraw/zinc/99/06/15/1061990615.db2.gz UASUJZUFJKTCND-YFHOEESVSA-N -1 3 324.829 4.437 20 0 DIADHM CCCCS(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001253843588 1061992027 /nfs/dbraw/zinc/99/20/27/1061992027.db2.gz SFPWIMSLMCPVAD-UHFFFAOYSA-N -1 3 319.426 4.329 20 0 DIADHM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001466735754 1061993340 /nfs/dbraw/zinc/99/33/40/1061993340.db2.gz BKLBFEDLPCHBFP-ZDUSSCGKSA-N -1 3 313.372 4.004 20 0 DIADHM CCc1cc2c(CSCC(C)(C)C)cc(=O)oc2cc1[O-] ZINC001459082154 1062004360 /nfs/dbraw/zinc/00/43/60/1062004360.db2.gz QEVQIBGSQYPMDX-UHFFFAOYSA-N -1 3 306.427 4.340 20 0 DIADHM [O-]c1cc2c(O)cccc2cc1-c1nnc(-c2cccc(F)c2)o1 ZINC001254141101 1062032062 /nfs/dbraw/zinc/03/20/62/1062032062.db2.gz VBPURSOWEDRUNG-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM CSc1cccc(-c2cn(-c3ccc(Cl)cc3[O-])nn2)c1 ZINC001254165141 1062037982 /nfs/dbraw/zinc/03/79/82/1062037982.db2.gz NAODZPDKCDSVQQ-UHFFFAOYSA-N -1 3 317.801 4.015 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc3oc(C)c(C)c3c2)cc1[O-] ZINC001467272602 1062099824 /nfs/dbraw/zinc/09/98/24/1062099824.db2.gz KQTTYYVRSKBLPK-UHFFFAOYSA-N -1 3 323.348 4.210 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)CC12CCCCC2 ZINC001467323733 1062108031 /nfs/dbraw/zinc/10/80/31/1062108031.db2.gz MDTOYMCLYOEYDZ-ZDUSSCGKSA-N -1 3 321.848 4.478 20 0 DIADHM Cc1cc2c(cc1C)N(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC001467915506 1062232807 /nfs/dbraw/zinc/23/28/07/1062232807.db2.gz MHYXZKCYUFXURA-UHFFFAOYSA-N -1 3 321.420 4.091 20 0 DIADHM Cc1c([O-])cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1F ZINC001254697935 1062235261 /nfs/dbraw/zinc/23/52/61/1062235261.db2.gz QDBZMBWMVRXKAJ-UONOGXRCSA-N -1 3 310.328 4.161 20 0 DIADHM COc1cccc(-c2nnc(-c3ccc(C(C)C)cc3)o2)c1[O-] ZINC001254823405 1062254454 /nfs/dbraw/zinc/25/44/54/1062254454.db2.gz BJNGADXSKGQCLD-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM CC(C)[C@@H]1N(Cc2c(F)ccc([O-])c2F)CC12CCCCC2 ZINC001474573235 1062278036 /nfs/dbraw/zinc/27/80/36/1062278036.db2.gz WANPODUTQZIGJX-KRWDZBQOSA-N -1 3 309.400 4.461 20 0 DIADHM CCCC[C@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001468427896 1062313901 /nfs/dbraw/zinc/31/39/01/1062313901.db2.gz DVVIYLFSXFPMPM-VIFPVBQESA-N -1 3 314.223 4.228 20 0 DIADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)[N-]OCCC1CC1 ZINC001468412779 1062315905 /nfs/dbraw/zinc/31/59/05/1062315905.db2.gz DMTPUBOKVHLNGQ-FQEVSTJZSA-N -1 3 323.436 4.251 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3ncco3)cc2C)c1 ZINC001468404184 1062316477 /nfs/dbraw/zinc/31/64/77/1062316477.db2.gz BGXVYUULVSYOKM-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC001468455173 1062328713 /nfs/dbraw/zinc/32/87/13/1062328713.db2.gz KTOADPRHLCOSMF-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1[O-] ZINC001468516096 1062338515 /nfs/dbraw/zinc/33/85/15/1062338515.db2.gz QHUZGBOTKPVPFZ-UHFFFAOYSA-N -1 3 309.365 4.115 20 0 DIADHM [O-]c1ccc(CNCc2cc(Cl)cc(Cl)c2)c(F)c1F ZINC001474623535 1062347030 /nfs/dbraw/zinc/34/70/30/1062347030.db2.gz UQAJWNFXOQIXTB-UHFFFAOYSA-N -1 3 318.150 4.267 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H]2CCCCC2(C)C)c1[O-] ZINC001468602044 1062361036 /nfs/dbraw/zinc/36/10/36/1062361036.db2.gz SNFMLBSIGQUFNT-ZDUSSCGKSA-N -1 3 303.402 4.140 20 0 DIADHM C[C@H]1[C@@H](C)N(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC001469177773 1062494544 /nfs/dbraw/zinc/49/45/44/1062494544.db2.gz OCRZXRNHNXTQNP-BZUAXINKSA-N -1 3 323.436 4.100 20 0 DIADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001469177775 1062494872 /nfs/dbraw/zinc/49/48/72/1062494872.db2.gz OCRZXRNHNXTQNP-OWCLPIDISA-N -1 3 323.436 4.100 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nnc(Cc2ccccc2F)o1 ZINC001255786040 1062610017 /nfs/dbraw/zinc/61/00/17/1062610017.db2.gz VWNSYADRYMQIKX-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCC2(CCCC2)CC1 ZINC001470062369 1062694704 /nfs/dbraw/zinc/69/47/04/1062694704.db2.gz KPKOUAOHDSFTGI-UHFFFAOYSA-N -1 3 307.821 4.232 20 0 DIADHM CCC(NC(=O)c1ccc(C(C)C)cc1[O-])(C1CC1)C1CC1 ZINC001470132868 1062709231 /nfs/dbraw/zinc/70/92/31/1062709231.db2.gz RJRTYAQJTIXROC-UHFFFAOYSA-N -1 3 301.430 4.214 20 0 DIADHM CC(C)COc1ccc(-c2nnc(-c3ccccc3[O-])o2)cc1 ZINC001256164682 1062737212 /nfs/dbraw/zinc/73/72/12/1062737212.db2.gz GBIGARVIANJMNX-UHFFFAOYSA-N -1 3 310.353 4.144 20 0 DIADHM CCc1ccc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)c([O-])c1 ZINC001470491973 1062797280 /nfs/dbraw/zinc/79/72/80/1062797280.db2.gz RFZNWNSAWOFPAL-FQEVSTJZSA-N -1 3 309.409 4.010 20 0 DIADHM C[C@H]1C[C@H]1c1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001256770382 1062969939 /nfs/dbraw/zinc/96/99/39/1062969939.db2.gz AOOGBGUTZAXJAV-SWLSCSKDSA-N -1 3 322.364 4.145 20 0 DIADHM C[C@@H]1CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001471892624 1063029994 /nfs/dbraw/zinc/02/99/94/1063029994.db2.gz VDVOZNCJGNTONI-KGLIPLIRSA-N -1 3 311.381 4.103 20 0 DIADHM [O-]c1c(-c2nnc(CC3CCCCC3)o2)cc(O)c2ccccc12 ZINC001257004037 1063075699 /nfs/dbraw/zinc/07/56/99/1063075699.db2.gz CAELNVIAEVRSKM-UHFFFAOYSA-N -1 3 324.380 4.424 20 0 DIADHM [O-]c1cnc2ccccc2c1-c1nnc(CC2CCCCC2)o1 ZINC001257007611 1063076066 /nfs/dbraw/zinc/07/60/66/1063076066.db2.gz CFGNVPKZANEDFV-UHFFFAOYSA-N -1 3 309.369 4.113 20 0 DIADHM COc1ccc([O-])c(-c2nnc([C@H]3C[C@H]3c3ccc(C)cc3)o2)c1 ZINC001257209551 1063140365 /nfs/dbraw/zinc/14/03/65/1063140365.db2.gz LRMUVLYUMFUZCW-GJZGRUSLSA-N -1 3 322.364 4.030 20 0 DIADHM Clc1cc(-c2nnc([C@H]3C[C@@H]3c3ccc(Cl)cc3)o2)[n-]n1 ZINC001257703527 1063374511 /nfs/dbraw/zinc/37/45/11/1063374511.db2.gz WDPZZQRXBHIKIV-ZJUUUORDSA-N -1 3 321.167 4.038 20 0 DIADHM CCC(CC)CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001461502920 1063541303 /nfs/dbraw/zinc/54/13/03/1063541303.db2.gz IPGWGOBGOZXQRG-UHFFFAOYSA-N -1 3 316.367 4.022 20 0 DIADHM Cc1ccc(-c2nnc(-c3c([O-])cnc4ccccc43)o2)cc1F ZINC001258737735 1063787315 /nfs/dbraw/zinc/78/73/15/1063787315.db2.gz SVPHCYDKFXKMID-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)c(C)c1 ZINC001259100684 1063882039 /nfs/dbraw/zinc/88/20/39/1063882039.db2.gz GIABVJANEYGNTJ-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM O=S(=O)([N-]c1ccccc1OC1CCCC1)C1CCCCC1 ZINC001259813642 1063893497 /nfs/dbraw/zinc/89/34/97/1063893497.db2.gz FQGKAAPDYVQJKQ-UHFFFAOYSA-N -1 3 323.458 4.082 20 0 DIADHM O=S(=O)([N-]c1ccccc1OC1CCCCC1)C1CCCC1 ZINC001259802034 1063894381 /nfs/dbraw/zinc/89/43/81/1063894381.db2.gz VLBUJKLCSDIRHS-UHFFFAOYSA-N -1 3 323.458 4.082 20 0 DIADHM C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc([O-])c(F)c1F ZINC001462054730 1063907420 /nfs/dbraw/zinc/90/74/20/1063907420.db2.gz OQIUBFKXCALPRZ-BUXKBTBVSA-N -1 3 317.379 4.474 20 0 DIADHM CCOc1ccc(NC(=O)c2c(C)cccc2[O-])cc1Cl ZINC001291674319 1064739857 /nfs/dbraw/zinc/73/98/57/1064739857.db2.gz LJBYJUBBNBFDFK-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM Cc1ccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c([O-])c1 ZINC001291694137 1064739949 /nfs/dbraw/zinc/73/99/49/1064739949.db2.gz ZQINKXUFFWMNRY-UHFFFAOYSA-N -1 3 309.409 4.417 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c1[O-] ZINC001291957091 1064750852 /nfs/dbraw/zinc/75/08/52/1064750852.db2.gz ZACVYUZAXDFVBG-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM CCCN(CC1CCCCC1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001291973593 1064752840 /nfs/dbraw/zinc/75/28/40/1064752840.db2.gz PWXMHIZOGHRVQM-UHFFFAOYSA-N -1 3 317.429 4.027 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC001292258235 1064765738 /nfs/dbraw/zinc/76/57/38/1064765738.db2.gz KUSUJXVOWMVWND-MRXNPFEDSA-N -1 3 309.409 4.243 20 0 DIADHM Cc1cccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)c1[O-] ZINC001292632567 1064782340 /nfs/dbraw/zinc/78/23/40/1064782340.db2.gz PWBMGUNBCQRJDB-UHFFFAOYSA-N -1 3 323.396 4.058 20 0 DIADHM CCCCN(Cc1ccccc1Cl)C(=O)c1ccccc1[O-] ZINC001292643806 1064782542 /nfs/dbraw/zinc/78/25/42/1064782542.db2.gz RKHYHLKVCOJOJG-UHFFFAOYSA-N -1 3 317.816 4.488 20 0 DIADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c(C)cccc2[O-])C1 ZINC001293841864 1064833970 /nfs/dbraw/zinc/83/39/70/1064833970.db2.gz ZXLMBJFCDKZWAH-CVEARBPZSA-N -1 3 309.409 4.027 20 0 DIADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001294134910 1064849416 /nfs/dbraw/zinc/84/94/16/1064849416.db2.gz QJBKEQZZASEICU-IEBWSBKVSA-N -1 3 323.417 4.067 20 0 DIADHM CCCC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001294931107 1064890058 /nfs/dbraw/zinc/89/00/58/1064890058.db2.gz BFESLAXVIVQDEQ-UHFFFAOYSA-N -1 3 323.436 4.293 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)c([O-])c1 ZINC001295051486 1064896312 /nfs/dbraw/zinc/89/63/12/1064896312.db2.gz NVXZAXJIAINWQS-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM CC(C)(C)[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295515572 1064914760 /nfs/dbraw/zinc/91/47/60/1064914760.db2.gz XRNNOTCRTVWADQ-LBPRGKRZSA-N -1 3 303.427 4.115 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC=C(c2ccccc2)C1 ZINC001295535405 1064916172 /nfs/dbraw/zinc/91/61/72/1064916172.db2.gz DJXKXMJLFBMMAE-UHFFFAOYSA-N -1 3 321.401 4.146 20 0 DIADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295673472 1064921721 /nfs/dbraw/zinc/92/17/21/1064921721.db2.gz GCWXNAHTQMVGND-CRAIPNDOSA-N -1 3 323.436 4.386 20 0 DIADHM Cc1cccc(CSCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001295971882 1064933283 /nfs/dbraw/zinc/93/32/83/1064933283.db2.gz JBDJTRJNFGRZAU-UHFFFAOYSA-N -1 3 321.829 4.226 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c2c1CCC2 ZINC001295972064 1064933719 /nfs/dbraw/zinc/93/37/19/1064933719.db2.gz LYXXFWPMYAECEO-UHFFFAOYSA-N -1 3 301.773 4.095 20 0 DIADHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971639 1064933772 /nfs/dbraw/zinc/93/37/72/1064933772.db2.gz GURQDLJMZPQJOO-HNNXBMFYSA-N -1 3 317.816 4.499 20 0 DIADHM CS[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC001296303238 1064942499 /nfs/dbraw/zinc/94/24/99/1064942499.db2.gz IJNLIUDGKAEWFW-AWEZNQCLSA-N -1 3 323.483 4.114 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001296516400 1064949948 /nfs/dbraw/zinc/94/99/48/1064949948.db2.gz XXWHYZMNBSGHLM-KGLIPLIRSA-N -1 3 319.445 4.126 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c([O-])c1 ZINC001296727879 1064957227 /nfs/dbraw/zinc/95/72/27/1064957227.db2.gz LWMIXEPCTWNHPI-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c([O-])c1 ZINC001296777392 1064961918 /nfs/dbraw/zinc/96/19/18/1064961918.db2.gz GJVHXPAHABZHGG-GOSISDBHSA-N -1 3 309.409 4.241 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)c1[O-] ZINC001297465125 1064981354 /nfs/dbraw/zinc/98/13/54/1064981354.db2.gz BBXOXPVDSHUGOS-KRWDZBQOSA-N -1 3 323.436 4.201 20 0 DIADHM CC1(C)CC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001297583750 1064985416 /nfs/dbraw/zinc/98/54/16/1064985416.db2.gz DLBIQJYDCRZDLH-IBGZPJMESA-N -1 3 323.436 4.096 20 0 DIADHM CC[C@@H](C)c1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC001298745020 1065019424 /nfs/dbraw/zinc/01/94/24/1065019424.db2.gz ZAZUEVYQHCMPNL-GFCCVEGCSA-N -1 3 311.381 4.361 20 0 DIADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001298749182 1065019565 /nfs/dbraw/zinc/01/95/65/1065019565.db2.gz RKNNZWROGILSGN-CYBMUJFWSA-N -1 3 303.402 4.306 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(OC)[C@@H](C)c2ccccc2C)c1 ZINC001298779940 1065021332 /nfs/dbraw/zinc/02/13/32/1065021332.db2.gz ILAOSLIVRXUDLV-AWEZNQCLSA-N -1 3 313.397 4.028 20 0 DIADHM CCc1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC001298823968 1065021974 /nfs/dbraw/zinc/02/19/74/1065021974.db2.gz JOAUQNPKJOOAGY-VCBZYWHSSA-N -1 3 323.436 4.361 20 0 DIADHM CCc1ccc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC001298823969 1065022899 /nfs/dbraw/zinc/02/28/99/1065022899.db2.gz JOAUQNPKJOOAGY-ZRGWGRIASA-N -1 3 323.436 4.361 20 0 DIADHM CCC(NC(=O)c1cc2sccc2c([O-])c1)(C1CC1)C1CC1 ZINC001300831868 1065043655 /nfs/dbraw/zinc/04/36/55/1065043655.db2.gz LJPYKRUNHZLQPO-UHFFFAOYSA-N -1 3 315.438 4.306 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@]2(C)C2CCCCC2)c1 ZINC001302917582 1065102697 /nfs/dbraw/zinc/10/26/97/1065102697.db2.gz XZVHYGWQMFBKKX-IBGZPJMESA-N -1 3 301.430 4.140 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3nc(C)cc(C)c3c2)c1 ZINC001303646369 1065119714 /nfs/dbraw/zinc/11/97/14/1065119714.db2.gz MJVWGLVXXGVQSZ-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CCCCOc1ccc(C(=O)NCCCCC(C)C)c([O-])c1 ZINC001306633171 1065186539 /nfs/dbraw/zinc/18/65/39/1065186539.db2.gz JRFZLNJMDMWZMP-UHFFFAOYSA-N -1 3 307.434 4.127 20 0 DIADHM CCc1ccc(CN(Cc2c(F)ccc([O-])c2F)C2CC2)cc1 ZINC001308664418 1066144641 /nfs/dbraw/zinc/14/46/41/1066144641.db2.gz YVJSGYFTYSWIFN-UHFFFAOYSA-N -1 3 317.379 4.397 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000190400842 334927050 /nfs/dbraw/zinc/92/70/50/334927050.db2.gz YHVBIIVGTRBLME-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(Cl)c1 ZINC000005126660 181206532 /nfs/dbraw/zinc/20/65/32/181206532.db2.gz AVNKRILEQHMHGE-UHFFFAOYSA-N 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/nfs/dbraw/zinc/01/30/20/335013020.db2.gz KFOIGAAIVNKXGN-RTBURBONSA-N -1 3 309.409 4.015 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc([O-])cc1F ZINC000183258263 335015296 /nfs/dbraw/zinc/01/52/96/335015296.db2.gz PTVHICWNXZNJIJ-UHFFFAOYSA-N -1 3 320.389 4.206 20 0 DIADHM Cc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624867 335015411 /nfs/dbraw/zinc/01/54/11/335015411.db2.gz LHSWJOWMONZXBT-DOTOQJQBSA-N -1 3 315.800 4.051 20 0 DIADHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000417627117 335016446 /nfs/dbraw/zinc/01/64/46/335016446.db2.gz NUIZNFHLMNGHDW-VQTJNVASSA-N -1 3 321.420 4.357 20 0 DIADHM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1[O-] ZINC000016483009 182046606 /nfs/dbraw/zinc/04/66/06/182046606.db2.gz WHSCVQFXVOBKKK-UHFFFAOYSA-N -1 3 303.361 4.240 20 0 DIADHM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3[O-])cs2)cc1 ZINC000016483084 182046870 /nfs/dbraw/zinc/04/68/70/182046870.db2.gz WKBJTACFMDOZSI-UHFFFAOYSA-N -1 3 324.405 4.005 20 0 DIADHM O=c1nc(-c2ccc([O-])cc2)[nH]c2sc(-c3ccccc3)cc21 ZINC000017309219 182082112 /nfs/dbraw/zinc/08/21/12/182082112.db2.gz SDOSBDDILBEJOV-UHFFFAOYSA-N -1 3 320.373 4.024 20 0 DIADHM COc1cccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c1 ZINC000391602182 335021586 /nfs/dbraw/zinc/02/15/86/335021586.db2.gz QGHGFUQIAHDSCK-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCC[C@H](CCCCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417638512 335022403 /nfs/dbraw/zinc/02/24/03/335022403.db2.gz JXSMUVGVUVAKHS-GFCCVEGCSA-N -1 3 315.816 4.240 20 0 DIADHM C[C@@H](CC(C)(C)NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417639228 335022619 /nfs/dbraw/zinc/02/26/19/335022619.db2.gz RQHRQLUPIPNZQW-ZETCQYMHSA-N -1 3 310.246 4.034 20 0 DIADHM C[C@H](CC(C)(C)NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000417636833 335021465 /nfs/dbraw/zinc/02/14/65/335021465.db2.gz MNPLWRJEMSBERX-CYBMUJFWSA-N -1 3 317.385 4.051 20 0 DIADHM CCC[C@@H](CCCCNCc1ccsc1Cl)C(=O)[O-] ZINC000417642185 335026178 /nfs/dbraw/zinc/02/61/78/335026178.db2.gz ULLZDKWCSFFEPL-NSHDSACASA-N -1 3 303.855 4.162 20 0 DIADHM Cc1cc2[nH]c(CNCc3ccc(C(=O)[O-])c(C)c3)cc2c(C)c1 ZINC000417672156 335037008 /nfs/dbraw/zinc/03/70/08/335037008.db2.gz SDESCMMJJKKLOG-UHFFFAOYSA-N -1 3 322.408 4.081 20 0 DIADHM CC[C@@H](CCNCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000417672480 335037333 /nfs/dbraw/zinc/03/73/33/335037333.db2.gz TYEIMWMJULONRT-AWEZNQCLSA-N -1 3 315.388 4.083 20 0 DIADHM CCC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CCCC1 ZINC000442935543 338439775 /nfs/dbraw/zinc/43/97/75/338439775.db2.gz TTZYREDFMBVGCD-UHFFFAOYSA-N -1 3 317.307 4.200 20 0 DIADHM COC(=O)c1ccc(F)c(-c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000065344356 184326163 /nfs/dbraw/zinc/32/61/63/184326163.db2.gz YYXJYWKEFPXISK-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc([O-])c(OC)c1 ZINC000442940855 338439872 /nfs/dbraw/zinc/43/98/72/338439872.db2.gz DAYYAZKKMYVJCU-MRXNPFEDSA-N -1 3 313.397 4.014 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1sccc1OC(F)F ZINC000408512844 257256091 /nfs/dbraw/zinc/25/60/91/257256091.db2.gz IMDGHXHUEQVKDZ-UHFFFAOYSA-N -1 3 323.242 4.019 20 0 DIADHM CCOc1cc(-c2noc([C@H]3CCCC(F)(F)C3)n2)ccc1[O-] ZINC000289173304 131363501 /nfs/dbraw/zinc/36/35/01/131363501.db2.gz PCNCJYGKXRMETO-NSHDSACASA-N -1 3 324.327 4.134 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3cccc4ccccc43)no2)c1 ZINC000391665404 335068642 /nfs/dbraw/zinc/06/86/42/335068642.db2.gz QUYFCQVDSGNVIR-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCc1nc([C@H](C)[N-]c2nc(-c3ccc(F)cc3)no2)cs1 ZINC000623962413 435381231 /nfs/dbraw/zinc/38/12/31/435381231.db2.gz GFOBPUKXRNQHKN-VIFPVBQESA-N -1 3 318.377 4.068 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc3sccc3c2)c1[O-] ZINC000570599630 332778409 /nfs/dbraw/zinc/77/84/09/332778409.db2.gz OFNFVPJYBHPUHY-UHFFFAOYSA-N -1 3 311.362 4.062 20 0 DIADHM CC[C@@H](SCC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000180713935 331576149 /nfs/dbraw/zinc/57/61/49/331576149.db2.gz MSISWOWGFSXAMY-MRXNPFEDSA-N -1 3 301.411 4.215 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c2ccccc2n1 ZINC000533618290 331608019 /nfs/dbraw/zinc/60/80/19/331608019.db2.gz BBZVXBJQBVMEBG-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@H](C(=O)NCc1ccc([O-])c(F)c1)c1ccc2ccccc2c1 ZINC000084632341 332004765 /nfs/dbraw/zinc/00/47/65/332004765.db2.gz WFOFSYVXDNNCEO-ZDUSSCGKSA-N -1 3 323.367 4.104 20 0 DIADHM Cc1ccccc1[C@H](CC(=O)[O-])NCc1cc(F)cc(Cl)c1 ZINC000426785794 332153225 /nfs/dbraw/zinc/15/32/25/332153225.db2.gz ZAJGDGAXGRVITP-INIZCTEOSA-N -1 3 321.779 4.093 20 0 DIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000426788618 332153606 /nfs/dbraw/zinc/15/36/06/332153606.db2.gz OFNXVTVHUPOHHX-MRXNPFEDSA-N -1 3 321.779 4.093 20 0 DIADHM CCC[C@H](C)C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426795154 332154529 /nfs/dbraw/zinc/15/45/29/332154529.db2.gz VVJZKUUXZUQEBM-GXFFZTMASA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])ccc1Cl ZINC000426828414 332156002 /nfs/dbraw/zinc/15/60/02/332156002.db2.gz YWYLMUGDZHJUKC-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM CCc1cc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)ccc1[O-] ZINC000426881810 332159677 /nfs/dbraw/zinc/15/96/77/332159677.db2.gz GGWRTWCSLCULTF-ZDUSSCGKSA-N -1 3 315.417 4.011 20 0 DIADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000426951326 332163044 /nfs/dbraw/zinc/16/30/44/332163044.db2.gz MSIZJAQJNKPHSL-ZDUSSCGKSA-N -1 3 308.381 4.314 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)C2(c3ccc(F)cc3)CC2)c1[O-] ZINC000531113053 332310710 /nfs/dbraw/zinc/31/07/10/332310710.db2.gz JYQSNCFMJFMWNV-UHFFFAOYSA-N -1 3 319.763 4.163 20 0 DIADHM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531113033 332310763 /nfs/dbraw/zinc/31/07/63/332310763.db2.gz CHFUSQQZEIIMAX-AWEZNQCLSA-N -1 3 318.804 4.183 20 0 DIADHM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000560613973 332368717 /nfs/dbraw/zinc/36/87/17/332368717.db2.gz WGXGCFHSJYXXRL-ZDUSSCGKSA-N -1 3 315.388 4.472 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc2c(s1)CCCC2 ZINC000560820768 332388623 /nfs/dbraw/zinc/38/86/23/332388623.db2.gz PIEWGGUITPLNST-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/22/51/333382251.db2.gz LPMNLQKPUJJCEY-UHFFFAOYSA-N -1 3 317.801 4.352 20 0 DIADHM [O-]c1ccccc1-c1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000390872155 333401385 /nfs/dbraw/zinc/40/13/85/333401385.db2.gz QJDQBWWGIVJUOQ-UHFFFAOYSA-N -1 3 320.270 4.052 20 0 DIADHM CC(C)(CCCNCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000426642496 333511072 /nfs/dbraw/zinc/51/10/72/333511072.db2.gz JBYNGYWOSFJJJG-UHFFFAOYSA-N -1 3 317.385 4.053 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cccc3cnccc32)c1[O-] ZINC000533970491 333552483 /nfs/dbraw/zinc/55/24/83/333552483.db2.gz WAIVNZQTYJGLNL-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])o1 ZINC000531754703 333553516 /nfs/dbraw/zinc/55/35/16/333553516.db2.gz PUATXDRHTCKJDI-UHFFFAOYSA-N -1 3 313.275 4.127 20 0 DIADHM Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)o1 ZINC000110380442 333581498 /nfs/dbraw/zinc/58/14/98/333581498.db2.gz NKJHVTHCMZHQBW-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM C[C@@H](CC(F)F)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] 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Cc1nc(C2CC2)oc1C(=O)[N-]c1ccccc1SC(F)F ZINC000273463705 334047625 /nfs/dbraw/zinc/04/76/25/334047625.db2.gz IUTBVJCWTSYRIF-UHFFFAOYSA-N -1 3 324.352 4.427 20 0 DIADHM CC(C)(C)CC[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000414654802 334055533 /nfs/dbraw/zinc/05/55/33/334055533.db2.gz IYTGGHNCGMCPPR-VIFPVBQESA-N -1 3 324.273 4.424 20 0 DIADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1F ZINC000414671837 334065390 /nfs/dbraw/zinc/06/53/90/334065390.db2.gz BMVNBLLUSJMWIY-AWEZNQCLSA-N -1 3 315.388 4.178 20 0 DIADHM Cc1ccc2cc(C(=O)Nc3cc(Cl)ccc3[O-])ccc2n1 ZINC000340241304 334154677 /nfs/dbraw/zinc/15/46/77/334154677.db2.gz OJWDLCAURFFWEN-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc(SCCC(=O)Nc2ccccc2[O-])cc1C ZINC000302918755 334297286 /nfs/dbraw/zinc/29/72/86/334297286.db2.gz VRSFBHGMIRZOPK-UHFFFAOYSA-N -1 3 301.411 4.130 20 0 DIADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])c1cccc(Cl)c1 ZINC000534700349 334328264 /nfs/dbraw/zinc/32/82/64/334328264.db2.gz LRFAIRWRSQZGPJ-UHFFFAOYSA-N -1 3 307.752 4.101 20 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318.142 4.041 20 0 DIADHM CC(C)(C)c1nc(C(=O)[N-]c2c(F)cc(F)cc2F)cs1 ZINC000443913782 338463417 /nfs/dbraw/zinc/46/34/17/338463417.db2.gz CHIRJCHAERCTEA-UHFFFAOYSA-N -1 3 314.332 4.110 20 0 DIADHM Cc1c(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccn1C(C)C ZINC000343923138 335202182 /nfs/dbraw/zinc/20/21/82/335202182.db2.gz FAVZUFNUSNABQC-UHFFFAOYSA-N -1 3 306.793 4.297 20 0 DIADHM Cc1cc2cc[nH]c2cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000444444576 338472834 /nfs/dbraw/zinc/47/28/34/338472834.db2.gz FLCJCUKQRQRCFY-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1cc2cccnc2c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000344774411 335276466 /nfs/dbraw/zinc/27/64/66/335276466.db2.gz MLURIROJKHNAAS-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)c1cccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000345140504 335300926 /nfs/dbraw/zinc/30/09/26/335300926.db2.gz OLISRMZNWKCXLE-ZDUSSCGKSA-N -1 3 310.397 4.065 20 0 DIADHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccsc1 ZINC000345174343 335304848 /nfs/dbraw/zinc/30/48/48/335304848.db2.gz 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/nfs/dbraw/zinc/16/61/44/336166144.db2.gz AVKPRFFQCJKMDO-KRWDZBQOSA-N -1 3 324.424 4.025 20 0 DIADHM [O-]c1cc2c(cc1-c1nc([C@H]3CCC(F)(F)C3)no1)CCCC2 ZINC000333029198 336196954 /nfs/dbraw/zinc/19/69/54/336196954.db2.gz HCJVYYCOXIGYDD-LBPRGKRZSA-N -1 3 320.339 4.224 20 0 DIADHM Cc1cc2sc([N-]C(=O)c3cc(C4CC4)no3)nc2c(C)c1 ZINC000333082951 336197767 /nfs/dbraw/zinc/19/77/67/336197767.db2.gz QWOZTEGDGWFNBH-UHFFFAOYSA-N -1 3 313.382 4.031 20 0 DIADHM Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000352607746 336226703 /nfs/dbraw/zinc/22/67/03/336226703.db2.gz ZGFKHRVTHYJXHB-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM CCCC1(C(=O)Nc2cc(Br)ccc2[O-])CCC1 ZINC000532348054 336243678 /nfs/dbraw/zinc/24/36/78/336243678.db2.gz KKHMENLYMDGOAI-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(Cc2ccccc2Cl)CC1 ZINC000190350361 336263400 /nfs/dbraw/zinc/26/34/00/336263400.db2.gz GYQGEFHQORNDLW-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM CC[C@H]([N-]c1nc(C(C)C)no1)c1ccccc1OC(F)F ZINC000301337053 336301274 /nfs/dbraw/zinc/30/12/74/336301274.db2.gz OKEIOMVVOZVYJK-NSHDSACASA-N -1 3 311.332 4.358 20 0 DIADHM Clc1cc(Cl)cc(-c2noc([N-]Cc3ccccn3)n2)c1 ZINC000301526603 336312523 /nfs/dbraw/zinc/31/25/23/336312523.db2.gz JGHRMBZUBMOOBH-UHFFFAOYSA-N -1 3 321.167 4.051 20 0 DIADHM C[C@H](c1ccccc1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000354294737 336465922 /nfs/dbraw/zinc/46/59/22/336465922.db2.gz DBIAMJFHBOFDNB-GFCCVEGCSA-N -1 3 315.800 4.411 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000357189422 336576500 /nfs/dbraw/zinc/57/65/00/336576500.db2.gz OISKSIQBPOOSBA-INIZCTEOSA-N -1 3 301.773 4.023 20 0 DIADHM Cc1csc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)n1 ZINC000357429741 336584904 /nfs/dbraw/zinc/58/49/04/336584904.db2.gz JFTXXGKAXNZUTC-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(c1cccc([O-])c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000357437093 336585103 /nfs/dbraw/zinc/58/51/03/336585103.db2.gz XTFYFLYCOYSORJ-IBGZPJMESA-N -1 3 307.393 4.074 20 0 DIADHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1c(F)cccc1F ZINC000361281312 336748365 /nfs/dbraw/zinc/74/83/65/336748365.db2.gz NWJDXRZOFHSEKV-UHFFFAOYSA-N -1 3 322.258 4.001 20 0 DIADHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Cl ZINC000426750401 337013146 /nfs/dbraw/zinc/01/31/46/337013146.db2.gz MZZAMODUJDRSME-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2sccc2Cl)CC)n1 ZINC000193619142 337078709 /nfs/dbraw/zinc/07/87/09/337078709.db2.gz NQUQDKFYEQGYIK-NTMALXAHSA-N -1 3 308.834 4.388 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC)c2)CC)n1 ZINC000193618428 337078713 /nfs/dbraw/zinc/07/87/13/337078713.db2.gz CBXAFDWJACTFGS-RVDMUPIBSA-N -1 3 312.413 4.072 20 0 DIADHM CC(C)CC[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469056152 337081858 /nfs/dbraw/zinc/08/18/58/337081858.db2.gz STNOWBABCNWIRF-MRXNPFEDSA-N -1 3 321.436 4.281 20 0 DIADHM CC[C@](C)(NCc1ccc([O-])c2nc(C)ccc12)C(F)(F)F ZINC000582713694 337124047 /nfs/dbraw/zinc/12/40/47/337124047.db2.gz LYKNWRRSQKHJLY-HNNXBMFYSA-N -1 3 312.335 4.069 20 0 DIADHM O=C([N-]c1ncccc1Cl)c1nc(-c2ccccc2)cs1 ZINC000179914006 337172551 /nfs/dbraw/zinc/17/25/51/337172551.db2.gz NGOKLUIIFRCRJQ-UHFFFAOYSA-N -1 3 315.785 4.111 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1cc2cc(F)ccc2s1 ZINC000180851361 337178102 /nfs/dbraw/zinc/17/81/02/337178102.db2.gz SOHZPMQTOAYNOW-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM C[C@H](NC(=O)c1cccc([O-])c1)c1nc(-c2ccccc2)cs1 ZINC000182400452 337188221 /nfs/dbraw/zinc/18/82/21/337188221.db2.gz SBVBBYLECJFIFK-LBPRGKRZSA-N -1 3 324.405 4.007 20 0 DIADHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1ccoc1 ZINC000183675526 337194239 /nfs/dbraw/zinc/19/42/39/337194239.db2.gz OMRFFHPJMOGHTL-UHFFFAOYSA-N -1 3 321.288 4.102 20 0 DIADHM O=[S@@](Cc1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000184071304 337195874 /nfs/dbraw/zinc/19/58/74/337195874.db2.gz KIAMUBHDJFUPJR-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM O=[S@](Cc1ccc(Cl)cc1Cl)c1cccc([O-])c1 ZINC000184056241 337196962 /nfs/dbraw/zinc/19/69/62/337196962.db2.gz DSYKQPIUXPVTGS-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(-c2ccncc2)cc1 ZINC000185562520 337249041 /nfs/dbraw/zinc/24/90/41/337249041.db2.gz HFUXNGNSWATNNV-CQSZACIVSA-N -1 3 322.383 4.444 20 0 DIADHM CC(C)(C)C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000572249644 337598656 /nfs/dbraw/zinc/59/86/56/337598656.db2.gz SKXXTVYTNJAPLE-UHFFFAOYSA-N -1 3 309.837 4.296 20 0 DIADHM Cc1ccccc1C1CCN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263436894 337629035 /nfs/dbraw/zinc/62/90/35/337629035.db2.gz CQIGNCMIZHKODZ-UHFFFAOYSA-N -1 3 309.409 4.073 20 0 DIADHM CCOc1cc(-c2noc(C(C)(C)c3ccccc3)n2)ccc1[O-] ZINC000445428860 337728633 /nfs/dbraw/zinc/72/86/33/337728633.db2.gz XTERJTNHVGXFMR-UHFFFAOYSA-N -1 3 324.380 4.167 20 0 DIADHM CCOc1cc(-c2noc(/C=C\c3ccsc3)n2)ccc1[O-] ZINC000445430325 337730674 /nfs/dbraw/zinc/73/06/74/337730674.db2.gz JDAIRWMAWRSYBK-UTCJRWHESA-N -1 3 314.366 4.073 20 0 DIADHM [O-]c1cccc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1Cl ZINC000527750155 337761415 /nfs/dbraw/zinc/76/14/15/337761415.db2.gz UZAIVNYSMLZRSC-UKPHBRMFSA-N -1 3 320.219 4.127 20 0 DIADHM CCc1cccc(-c2nc(C(C)(C)c3cc(C)ccn3)no2)c1[O-] ZINC000528267483 337799149 /nfs/dbraw/zinc/79/91/49/337799149.db2.gz SZVLKKGHZFEVID-UHFFFAOYSA-N -1 3 323.396 4.034 20 0 DIADHM CC(C)c1cc(C(=O)Nc2ccc([O-])cc2F)c2ccccc2n1 ZINC000119393357 337857933 /nfs/dbraw/zinc/85/79/33/337857933.db2.gz SCHUWGYXPSKFRK-UHFFFAOYSA-N -1 3 324.355 4.455 20 0 DIADHM Cc1ccc(NC(=O)c2cccc(C)c2Br)c([O-])c1 ZINC000123033050 337940987 /nfs/dbraw/zinc/94/09/87/337940987.db2.gz KOQSJBZLSAPFKY-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM O=C(c1cc2cc(Cl)sc2[n-]1)N1CCc2ccc(F)cc21 ZINC000515629382 337994059 /nfs/dbraw/zinc/99/40/59/337994059.db2.gz STXDNMGGDYOYRV-UHFFFAOYSA-N -1 3 320.776 4.225 20 0 DIADHM CCCN(C)c1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000516217241 338007748 /nfs/dbraw/zinc/00/77/48/338007748.db2.gz FMBTWNOCTXTQKF-UHFFFAOYSA-N -1 3 318.804 4.144 20 0 DIADHM CC(C)c1ccccc1N(C)C(=O)c1cc(-c2ccco2)[n-]n1 ZINC000426366494 338029104 /nfs/dbraw/zinc/02/91/04/338029104.db2.gz RDASIKPREIXNGO-UHFFFAOYSA-N -1 3 309.369 4.070 20 0 DIADHM CC(C)c1ccccc1N(C)C(=O)c1cc(-c2ccco2)n[n-]1 ZINC000426366494 338029105 /nfs/dbraw/zinc/02/91/05/338029105.db2.gz RDASIKPREIXNGO-UHFFFAOYSA-N -1 3 309.369 4.070 20 0 DIADHM CCc1cc(C(=O)N[C@@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426562492 338034678 /nfs/dbraw/zinc/03/46/78/338034678.db2.gz SRRGHEDKNRZOLJ-GFCCVEGCSA-N -1 3 321.829 4.087 20 0 DIADHM O=C(Nc1ccccc1[O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000426643922 338036732 /nfs/dbraw/zinc/03/67/32/338036732.db2.gz AGBRPGUKMUZHJE-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM CC(C)C[C@@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426649114 338036971 /nfs/dbraw/zinc/03/69/71/338036971.db2.gz WEBKTWBKOMLCJL-GOSISDBHSA-N -1 3 315.388 4.082 20 0 DIADHM CCc1cccc(Cl)c1CN[C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000426684647 338038125 /nfs/dbraw/zinc/03/81/25/338038125.db2.gz ALYCXRVQOGFKPV-STQMWFEESA-N -1 3 311.853 4.272 20 0 DIADHM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3)s2)cc1 ZINC000426696284 338038317 /nfs/dbraw/zinc/03/83/17/338038317.db2.gz RIRVNYPVWGSZKX-UHFFFAOYSA-N -1 3 323.417 4.403 20 0 DIADHM O=C([O-])[C@@H](CC1CCCC1)NCc1cc(Cl)ccc1Cl ZINC000426718673 338039095 /nfs/dbraw/zinc/03/90/95/338039095.db2.gz XVJUBZMXLDQQIA-CQSZACIVSA-N -1 3 316.228 4.117 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426735209 338039863 /nfs/dbraw/zinc/03/98/63/338039863.db2.gz DKTYAHXJACCTHM-GFCCVEGCSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426736004 338040035 /nfs/dbraw/zinc/04/00/35/338040035.db2.gz HJMMPCWWVWYGDH-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM O=C([O-])[C@H](NCC1CCCCC1)c1c(Cl)cccc1Cl ZINC000426757364 338041049 /nfs/dbraw/zinc/04/10/49/338041049.db2.gz CPQIWKMUNPEOCU-CQSZACIVSA-N -1 3 316.228 4.289 20 0 DIADHM O=C([O-])[C@@H](NC[C@@H]1CC=CCC1)c1c(Cl)cccc1Cl ZINC000426763993 338041268 /nfs/dbraw/zinc/04/12/68/338041268.db2.gz VCGCSEQLJINYIL-YGRLFVJLSA-N -1 3 314.212 4.065 20 0 DIADHM CC(C)(c1ccc(NC(=O)c2cccc([O-])c2)cc1)C(F)(F)F ZINC000430351733 338105614 /nfs/dbraw/zinc/10/56/14/338105614.db2.gz KVOOWOJFQXFPFP-UHFFFAOYSA-N -1 3 323.314 4.484 20 0 DIADHM CCOc1cc(C)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000431334655 338128418 /nfs/dbraw/zinc/12/84/18/338128418.db2.gz QYVAUIDNPLATFN-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM O=C(Nc1ccccc1[O-])c1c(Cl)cc(F)cc1Cl ZINC000431487936 338131961 /nfs/dbraw/zinc/13/19/61/338131961.db2.gz YFWAHPCXSWDNTR-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2s1 ZINC000431922883 338141927 /nfs/dbraw/zinc/14/19/27/338141927.db2.gz BPSGTIOXBKGQLX-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM COc1ccsc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432709290 338163725 /nfs/dbraw/zinc/16/37/25/338163725.db2.gz JNADLHYYUYVIMB-OWBHPGMISA-N -1 3 324.405 4.036 20 0 DIADHM C[C@@H](c1ccco1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000433122752 338182379 /nfs/dbraw/zinc/18/23/79/338182379.db2.gz RXPBNSOTQGTBPW-JTQLQIEISA-N -1 3 305.761 4.004 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(CC1CC1)C1CCCCC1 ZINC000433344511 338193592 /nfs/dbraw/zinc/19/35/92/338193592.db2.gz SEEQYGPEWZWHTM-UHFFFAOYSA-N -1 3 307.821 4.231 20 0 DIADHM O=C(Nc1ccccc1OCC1CC1)c1cc([O-])ccc1Cl ZINC000433480578 338195511 /nfs/dbraw/zinc/19/55/11/338195511.db2.gz NPPLKKFSMKXZHE-UHFFFAOYSA-N -1 3 317.772 4.087 20 0 DIADHM CSc1cccc(C)c1[N-]C(=O)c1noc2c1C[C@@H](C)CC2 ZINC000433858240 338203562 /nfs/dbraw/zinc/20/35/62/338203562.db2.gz IRHGPHXUMYXTTK-JTQLQIEISA-N -1 3 316.426 4.082 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC)cc2)CC)n1 ZINC000435340024 338237492 /nfs/dbraw/zinc/23/74/92/338237492.db2.gz ATMINOSBOJAZFV-NTCAYCPXSA-N -1 3 312.413 4.072 20 0 DIADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC000436481851 338273658 /nfs/dbraw/zinc/27/36/58/338273658.db2.gz BJXBHOTTXNSFDV-CYBMUJFWSA-N -1 3 301.361 4.063 20 0 DIADHM CCc1nc2ccccc2c(C(=O)Nc2ccc(C)cc2[O-])c1C ZINC000436510095 338274721 /nfs/dbraw/zinc/27/47/21/338274721.db2.gz FESPDJZHEVGSBK-UHFFFAOYSA-N -1 3 320.392 4.372 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c([O-])c1 ZINC000436527319 338275147 /nfs/dbraw/zinc/27/51/47/338275147.db2.gz HWZBPHXRJWNXIU-HZPDHXFCSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436526154 338275244 /nfs/dbraw/zinc/27/52/44/338275244.db2.gz DYNGTRNOXLFDCN-CYBMUJFWSA-N -1 3 317.816 4.057 20 0 DIADHM CC(C)c1ccc(C(=O)N(Cc2ccco2)C(C)C)c([O-])c1 ZINC000436530205 338275303 /nfs/dbraw/zinc/27/53/03/338275303.db2.gz DGZHUOVCJIUWFL-UHFFFAOYSA-N -1 3 301.386 4.159 20 0 DIADHM COc1ccc(/C(C)=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436530704 338275351 /nfs/dbraw/zinc/27/53/51/338275351.db2.gz FDBCPEUJNLWJKM-QXMHVHEDSA-N -1 3 308.337 4.011 20 0 DIADHM [O-]c1ccc(-c2noc(C3(c4cccc(F)c4)CCC3)n2)cc1 ZINC000436533733 338275503 /nfs/dbraw/zinc/27/55/03/338275503.db2.gz NGHUYOZHTVMGHB-UHFFFAOYSA-N -1 3 310.328 4.051 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)c([O-])c1 ZINC000436537518 338275849 /nfs/dbraw/zinc/27/58/49/338275849.db2.gz XSNASNZVQCKWGN-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cccc(-c4cscn4)c3)n2)cc1 ZINC000436536923 338275879 /nfs/dbraw/zinc/27/58/79/338275879.db2.gz WHUKQPRSQVMRRL-UHFFFAOYSA-N -1 3 321.361 4.233 20 0 DIADHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c([O-])c1C ZINC000436540489 338276133 /nfs/dbraw/zinc/27/61/33/338276133.db2.gz XLJSJVLXPMRVFF-INIZCTEOSA-N -1 3 313.397 4.360 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2[O-])s1 ZINC000436542185 338276257 /nfs/dbraw/zinc/27/62/57/338276257.db2.gz ACFKRFQZEGMERL-OAHLLOKOSA-N -1 3 315.438 4.356 20 0 DIADHM CCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000436562281 338276990 /nfs/dbraw/zinc/27/69/90/338276990.db2.gz ADCJCPBMPUOWMV-UHFFFAOYSA-N -1 3 311.381 4.199 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1[O-] ZINC000436558408 338277041 /nfs/dbraw/zinc/27/70/41/338277041.db2.gz XQCIZKIMGYDPDC-QXAKKESOSA-N -1 3 321.420 4.109 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(C)c2[O-])o1 ZINC000436571076 338277610 /nfs/dbraw/zinc/27/76/10/338277610.db2.gz BZYQPENVQPKEHO-WBMJQRKESA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c1 ZINC000436571171 338277638 /nfs/dbraw/zinc/27/76/38/338277638.db2.gz BWNVQTMECCJYEP-DYVFJYSZSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c1[O-] ZINC000436574465 338277783 /nfs/dbraw/zinc/27/77/83/338277783.db2.gz LZUAGFXQWXNJFB-PXAZEXFGSA-N -1 3 313.372 4.063 20 0 DIADHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436573442 338277852 /nfs/dbraw/zinc/27/78/52/338277852.db2.gz HSIZNTDWJSYXMX-CYBMUJFWSA-N -1 3 309.475 4.119 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c1[O-] ZINC000436574471 338277896 /nfs/dbraw/zinc/27/78/96/338277896.db2.gz LZUAGFXQWXNJFB-YVEFUNNKSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436580140 338278136 /nfs/dbraw/zinc/27/81/36/338278136.db2.gz AGASERYSOXFKRB-SUMWQHHRSA-N -1 3 313.372 4.063 20 0 DIADHM CSCCN(C)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436583044 338278329 /nfs/dbraw/zinc/27/83/29/338278329.db2.gz JMLMKNJNBQSVBI-UHFFFAOYSA-N -1 3 309.475 4.074 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC2(CCC2)C1 ZINC000436582476 338278385 /nfs/dbraw/zinc/27/83/85/338278385.db2.gz LLZNLXYANLEKBI-UHFFFAOYSA-N -1 3 323.392 4.201 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000436582336 338278459 /nfs/dbraw/zinc/27/84/59/338278459.db2.gz HHLRDMCPQWSOHJ-WBVHZDCISA-N -1 3 319.470 4.016 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccccc2[O-])cc1 ZINC000436586045 338278494 /nfs/dbraw/zinc/27/84/94/338278494.db2.gz AKWFDFJVYHBGAL-WMZOPIPTSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([O-])c1C ZINC000436589851 338278800 /nfs/dbraw/zinc/27/88/00/338278800.db2.gz QACIVRVGCVRYQJ-NVXWUHKLSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c([O-])c1C ZINC000436589200 338278819 /nfs/dbraw/zinc/27/88/19/338278819.db2.gz PBNDTQUUHHCLTE-CRAIPNDOSA-N -1 3 323.436 4.275 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c([O-])c1C ZINC000436591285 338278933 /nfs/dbraw/zinc/27/89/33/338278933.db2.gz VVCWXDKNUXJFDX-MRXNPFEDSA-N -1 3 315.800 4.250 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c([O-])c1C ZINC000436605657 338279652 /nfs/dbraw/zinc/27/96/52/338279652.db2.gz PQPPQOMTKNPFKK-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000436609713 338279850 /nfs/dbraw/zinc/27/98/50/338279850.db2.gz WBFPYFBXRDDGPJ-KRWDZBQOSA-N -1 3 323.436 4.220 20 0 DIADHM Cc1nscc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613708 338279922 /nfs/dbraw/zinc/27/99/22/338279922.db2.gz SADHCSIPFXMFQF-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM CC(C)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)no1 ZINC000436614062 338279944 /nfs/dbraw/zinc/27/99/44/338279944.db2.gz UVERDPXVOMPFOX-UHFFFAOYSA-N -1 3 321.336 4.374 20 0 DIADHM Cc1nc(C)c(-c2nc(-c3ccc([O-])c4ccccc34)no2)s1 ZINC000436613878 338279984 /nfs/dbraw/zinc/27/99/84/338279984.db2.gz SWAKDPIQAMGXAC-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3cncs3)n2)c2ccccc12 ZINC000436619498 338280340 /nfs/dbraw/zinc/28/03/40/338280340.db2.gz RKRUKBVXPDCAFX-VMPITWQZSA-N -1 3 321.361 4.222 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1[O-] ZINC000436683091 338282568 /nfs/dbraw/zinc/28/25/68/338282568.db2.gz SMCFDINCQRSCPJ-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CCc1cc(C(=O)N(C)[C@H](CC)Cc2ccccc2)ccc1[O-] ZINC000436699991 338283381 /nfs/dbraw/zinc/28/33/81/338283381.db2.gz SOZBKIAIDWRHMT-GOSISDBHSA-N -1 3 311.425 4.048 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1ccc([O-])c(CC)c1 ZINC000436707430 338283606 /nfs/dbraw/zinc/28/36/06/338283606.db2.gz RRMYQUOJVLHHIQ-UHFFFAOYSA-N -1 3 317.454 4.111 20 0 DIADHM O=C(NC(c1cccs1)c1cccs1)c1ccccc1[O-] ZINC000436719755 338284038 /nfs/dbraw/zinc/28/40/38/338284038.db2.gz PYRFZOXQUWWMLA-UHFFFAOYSA-N -1 3 315.419 4.035 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436732254 338284688 /nfs/dbraw/zinc/28/46/88/338284688.db2.gz SYVUELYQUWPZDI-DOTOQJQBSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436732258 338284695 /nfs/dbraw/zinc/28/46/95/338284695.db2.gz SYVUELYQUWPZDI-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(C)c1[O-] ZINC000436738514 338284856 /nfs/dbraw/zinc/28/48/56/338284856.db2.gz LXCHATXWGRPGHF-UHFFFAOYSA-N -1 3 323.392 4.281 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436743640 338285254 /nfs/dbraw/zinc/28/52/54/338285254.db2.gz YATYHLCDLRLJFH-QRTARXTBSA-N -1 3 301.430 4.166 20 0 DIADHM CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCCC1 ZINC000436753375 338285555 /nfs/dbraw/zinc/28/55/55/338285555.db2.gz CZNQHIZTSAVRHM-UHFFFAOYSA-N -1 3 323.436 4.192 20 0 DIADHM CC(C)[C@@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436753754 338285634 /nfs/dbraw/zinc/28/56/34/338285634.db2.gz GJRNMVMXVWIPKO-OAHLLOKOSA-N -1 3 311.425 4.100 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1C ZINC000436756524 338285861 /nfs/dbraw/zinc/28/58/61/338285861.db2.gz RURZMEPLXSZVNG-AWEZNQCLSA-N -1 3 301.411 4.048 20 0 DIADHM CCN(C(=O)c1cc(C)cc(OC)c1[O-])c1cccc(Cl)c1 ZINC000436759605 338285926 /nfs/dbraw/zinc/28/59/26/338285926.db2.gz CIDNZDZFBQCAIX-UHFFFAOYSA-N -1 3 319.788 4.029 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)c([O-])c1C ZINC000436761154 338286087 /nfs/dbraw/zinc/28/60/87/338286087.db2.gz WQMNKMKRSXEEEZ-GFCCVEGCSA-N -1 3 319.351 4.120 20 0 DIADHM Cc1cccc(C(=O)N(CCc2ccccc2)CC(C)C)c1[O-] ZINC000436761216 338286266 /nfs/dbraw/zinc/28/62/66/338286266.db2.gz WXZWPXQVKRBPLM-UHFFFAOYSA-N -1 3 311.425 4.042 20 0 DIADHM C[C@H](SCc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436765410 338286461 /nfs/dbraw/zinc/28/64/61/338286461.db2.gz ARHHNXLEAPPUIO-LBPRGKRZSA-N -1 3 312.394 4.437 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3nc4ccccc4s3)n2)cc1 ZINC000436765731 338286479 /nfs/dbraw/zinc/28/64/79/338286479.db2.gz BLGBOLLPSHOPDL-MDZDMXLPSA-N -1 3 321.361 4.222 20 0 DIADHM [O-]c1ccc(-c2noc(-c3[nH]c4ccccc4c3Cl)n2)cc1 ZINC000436769640 338286495 /nfs/dbraw/zinc/28/64/95/338286495.db2.gz KGQSHBQQHWSYGV-UHFFFAOYSA-N -1 3 311.728 4.244 20 0 DIADHM Cc1nc(C(C)(C)C)sc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436768407 338286625 /nfs/dbraw/zinc/28/66/25/338286625.db2.gz KJWPVCLIACCUCH-UHFFFAOYSA-N -1 3 315.398 4.172 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)cc1 ZINC000436768978 338286660 /nfs/dbraw/zinc/28/66/60/338286660.db2.gz MEICMYSTPKXIQU-UHFFFAOYSA-N -1 3 311.728 4.244 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cccc4cccnc34)n2)cc1 ZINC000436771103 338286722 /nfs/dbraw/zinc/28/67/22/338286722.db2.gz XJCFUUSDDDXJRI-FLIBITNWSA-N -1 3 315.332 4.161 20 0 DIADHM Cc1ccc2nc(C)c(-c3nc(-c4ccc([O-])cc4)no3)cc2c1 ZINC000436770305 338286819 /nfs/dbraw/zinc/28/68/19/338286819.db2.gz QLTKLEBUVZHFCN-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(SCc2noc(-c3ccccc3[O-])n2)cc1C ZINC000436777069 338286942 /nfs/dbraw/zinc/28/69/42/338286942.db2.gz XOMFQGSSQTUFFO-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3Cl)n2)cc1 ZINC000436774132 338287039 /nfs/dbraw/zinc/28/70/39/338287039.db2.gz VQBGRQOSPAAKDL-KGLIPLIRSA-N -1 3 312.756 4.367 20 0 DIADHM COc1cc(-c2noc(-c3ccc4ccccc4c3)n2)ccc1[O-] ZINC000436783192 338287094 /nfs/dbraw/zinc/28/70/94/338287094.db2.gz FXXNVWKKOQZFBM-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1[O-] ZINC000436795607 338287710 /nfs/dbraw/zinc/28/77/10/338287710.db2.gz ZKDRCTRKMYJORM-QGZVFWFLSA-N -1 3 301.361 4.001 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1cc(CC)ccc1[O-] ZINC000436805346 338287910 /nfs/dbraw/zinc/28/79/10/338287910.db2.gz RVWKAULTWLFTIK-UHFFFAOYSA-N -1 3 317.454 4.111 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436808509 338288210 /nfs/dbraw/zinc/28/82/10/338288210.db2.gz LNCNUZDLJAJMGA-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000436829532 338288970 /nfs/dbraw/zinc/28/89/70/338288970.db2.gz BHFURQAPALLCFU-KSSFIOAISA-N -1 3 323.392 4.199 20 0 DIADHM CC[C@H]1CN(C(=O)c2cc(C)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000436833112 338289137 /nfs/dbraw/zinc/28/91/37/338289137.db2.gz IUZQLRIDCWZKIF-FUHWJXTLSA-N -1 3 323.436 4.357 20 0 DIADHM C[C@H](Oc1ccc(Cl)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868907 338290572 /nfs/dbraw/zinc/29/05/72/338290572.db2.gz JCKSEWMCLUCEHN-JTQLQIEISA-N -1 3 316.744 4.236 20 0 DIADHM COc1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436884850 338291787 /nfs/dbraw/zinc/29/17/87/338291787.db2.gz FBGSPCXBKOJZEV-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM CCOc1ccccc1-c1noc(-c2cc(CC)ccc2[O-])n1 ZINC000436893968 338292274 /nfs/dbraw/zinc/29/22/74/338292274.db2.gz QWRXGASTJXCEOD-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM CCOc1ccccc1-c1noc(-c2ccc(C)c(C)c2[O-])n1 ZINC000436894054 338292300 /nfs/dbraw/zinc/29/23/00/338292300.db2.gz RQAXJIQDZKDZSR-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM Cc1ccc(SCc2nc(-c3ccc([O-])cc3)no2)c(C)c1 ZINC000436896123 338292506 /nfs/dbraw/zinc/29/25/06/338292506.db2.gz WXZPTUDZMOCEDO-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM [O-]c1c(-c2nc(Cc3ccc(F)cc3)no2)ccc2c1CCCC2 ZINC000436898544 338292539 /nfs/dbraw/zinc/29/25/39/338292539.db2.gz YOYLAMIDXBGWRD-UHFFFAOYSA-N -1 3 324.355 4.051 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c([O-])c1C ZINC000436897828 338292590 /nfs/dbraw/zinc/29/25/90/338292590.db2.gz UOOJZCIKDMXBCR-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)c([O-])c1C ZINC000436905426 338292920 /nfs/dbraw/zinc/29/29/20/338292920.db2.gz SQDTZCSEDAXHIF-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c([O-])c1C ZINC000436905956 338292928 /nfs/dbraw/zinc/29/29/28/338292928.db2.gz BUTHBSDZGJRANF-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000436914457 338293199 /nfs/dbraw/zinc/29/31/99/338293199.db2.gz JGGXAQCIXITRFV-OAHLLOKOSA-N -1 3 323.392 4.057 20 0 DIADHM Cc1ccc([O-])c(-c2nc(Cc3c[nH]c4c3cccc4C)no2)c1 ZINC000436925112 338293616 /nfs/dbraw/zinc/29/36/16/338293616.db2.gz FSPSXPSEMONKIC-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM Cc1cc(C(=O)N(CCc2ccccc2)CC(C)C)ccc1[O-] ZINC000436924572 338293661 /nfs/dbraw/zinc/29/36/61/338293661.db2.gz XBOCDZNGINYOER-UHFFFAOYSA-N -1 3 311.425 4.042 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H]3CCCC[C@@H]3C)no2)c1[O-] ZINC000436927354 338293775 /nfs/dbraw/zinc/29/37/75/338293775.db2.gz PAFOENHPRVPMTR-NWDGAFQWSA-N -1 3 302.374 4.053 20 0 DIADHM CSCc1cccc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000436931899 338294156 /nfs/dbraw/zinc/29/41/56/338294156.db2.gz LJBDDOMBSQBCTH-UHFFFAOYSA-N -1 3 312.394 4.281 20 0 DIADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436936076 338294421 /nfs/dbraw/zinc/29/44/21/338294421.db2.gz MJPVSFRAGWPCTP-UHFFFAOYSA-N -1 3 311.425 4.059 20 0 DIADHM Cc1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)c([O-])c1C ZINC000436938481 338294630 /nfs/dbraw/zinc/29/46/30/338294630.db2.gz LQPQYNMUMCOODT-OAHLLOKOSA-N -1 3 306.365 4.137 20 0 DIADHM Cc1ccc(-c2nc(C[C@@H](C)c3ccccc3)no2)c([O-])c1C ZINC000436949255 338295400 /nfs/dbraw/zinc/29/54/00/338295400.db2.gz WIMFJLMCBWZNMF-CYBMUJFWSA-N -1 3 308.381 4.405 20 0 DIADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(F)cc1 ZINC000436950879 338295593 /nfs/dbraw/zinc/29/55/93/338295593.db2.gz WVKPNEYSNLCLRG-UHFFFAOYSA-N -1 3 313.372 4.077 20 0 DIADHM CC(F)(F)c1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436955847 338295801 /nfs/dbraw/zinc/29/58/01/338295801.db2.gz JEDSRKJBGLSFCV-UHFFFAOYSA-N -1 3 302.280 4.221 20 0 DIADHM COc1cc(-c2noc(-c3ccc(C(C)C)s3)n2)ccc1[O-] ZINC000436976918 338296495 /nfs/dbraw/zinc/29/64/95/338296495.db2.gz CFIZNKUGVIFPCB-UHFFFAOYSA-N -1 3 316.382 4.303 20 0 DIADHM O=c1[n-]c(CSc2ccccc2O)nc2c3ccccc3oc21 ZINC000436984309 338296732 /nfs/dbraw/zinc/29/67/32/338296732.db2.gz ZCCBJHOABKTZLB-UHFFFAOYSA-N -1 3 324.361 4.080 20 0 DIADHM O=C(c1cc(-c2ccco2)[n-]n1)N(CC1CCC1)c1ccccc1 ZINC000438404144 338342762 /nfs/dbraw/zinc/34/27/62/338342762.db2.gz RYYLGNGYCFPRFU-UHFFFAOYSA-N -1 3 321.380 4.117 20 0 DIADHM O=C(c1cc(-c2ccco2)n[n-]1)N(CC1CCC1)c1ccccc1 ZINC000438404144 338342763 /nfs/dbraw/zinc/34/27/63/338342763.db2.gz RYYLGNGYCFPRFU-UHFFFAOYSA-N -1 3 321.380 4.117 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(-c3ccccc3)cn2)c1F ZINC000438932494 338356291 /nfs/dbraw/zinc/35/62/91/338356291.db2.gz QYFDYKMPUUZBIP-UHFFFAOYSA-N -1 3 312.319 4.345 20 0 DIADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc21 ZINC000439097791 338360858 /nfs/dbraw/zinc/36/08/58/338360858.db2.gz NFFZVRUDFGJKMM-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000439099321 338361016 /nfs/dbraw/zinc/36/10/16/338361016.db2.gz PZZZIPWWQVSGJZ-CMPLNLGQSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(Cl)cc(Cl)cc2Cl)on1 ZINC000439267079 338365424 /nfs/dbraw/zinc/36/54/24/338365424.db2.gz CHOHGMDWLWLBLE-UHFFFAOYSA-N -1 3 305.548 4.196 20 0 DIADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448904829 338579275 /nfs/dbraw/zinc/57/92/75/338579275.db2.gz UWUWCQWDTZTZIF-HUUCEWRRSA-N -1 3 311.425 4.268 20 0 DIADHM C[C@@H]1CCCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000449863655 338656246 /nfs/dbraw/zinc/65/62/46/338656246.db2.gz IGPHQIRGTZTMDB-OAHLLOKOSA-N -1 3 311.425 4.269 20 0 DIADHM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000449884521 338657156 /nfs/dbraw/zinc/65/71/56/338657156.db2.gz BDDYONQTMHAURD-MRVPVSSYSA-N -1 3 309.715 4.271 20 0 DIADHM CCc1c2ccccc2oc1C(=O)N1CCCc2cccc([O-])c21 ZINC000450509846 338688675 /nfs/dbraw/zinc/68/86/75/338688675.db2.gz COQGQTBVUNIXKZ-UHFFFAOYSA-N -1 3 321.376 4.294 20 0 DIADHM CC[C@@H]1[C@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450735803 338702350 /nfs/dbraw/zinc/70/23/50/338702350.db2.gz GOBOBZFQQWWMRI-RDTXWAMCSA-N -1 3 311.425 4.125 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)[C@H]2CC23CCSCC3)c([O-])c1 ZINC000451482990 338736414 /nfs/dbraw/zinc/73/64/14/338736414.db2.gz WVPCDTRVMBRIHU-CYBMUJFWSA-N -1 3 319.470 4.162 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1[O-] ZINC000195746205 338914890 /nfs/dbraw/zinc/91/48/90/338914890.db2.gz KGIPTQSDCZSTJK-MRXNPFEDSA-N -1 3 301.430 4.276 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])NC12CCC(CC1)CC2 ZINC000456243815 338922659 /nfs/dbraw/zinc/92/26/59/338922659.db2.gz HNXNSHYOTQBNJX-UHFFFAOYSA-N -1 3 323.436 4.317 20 0 DIADHM C[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1cccc2ccccc21 ZINC000459470978 339031290 /nfs/dbraw/zinc/03/12/90/339031290.db2.gz NMMIEUKQSRESQI-CYBMUJFWSA-N -1 3 319.408 4.064 20 0 DIADHM [O-]c1cccc(CNc2cc(C3CC3)ccn2)c1Br ZINC000459570112 339036542 /nfs/dbraw/zinc/03/65/42/339036542.db2.gz ZWOZRNOMMSNEDZ-UHFFFAOYSA-N -1 3 319.202 4.039 20 0 DIADHM CCC(CC)(CC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462489986 339079936 /nfs/dbraw/zinc/07/99/36/339079936.db2.gz MASJUUARYYEDBU-UHFFFAOYSA-N -1 3 324.273 4.241 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCCCC12CCCC2 ZINC000462962889 339099096 /nfs/dbraw/zinc/09/90/96/339099096.db2.gz DBAIBBBEYLANST-MRXNPFEDSA-N -1 3 321.848 4.207 20 0 DIADHM CCOCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000463218117 339109993 /nfs/dbraw/zinc/10/99/93/339109993.db2.gz IPUFWMFODJFALS-UHFFFAOYSA-N -1 3 320.801 4.254 20 0 DIADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000467123464 339226816 /nfs/dbraw/zinc/22/68/16/339226816.db2.gz YUUUSGYZUDTFMG-JTQLQIEISA-N -1 3 309.287 4.153 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2csc(Cl)c2)c1F ZINC000467994915 339250682 /nfs/dbraw/zinc/25/06/82/339250682.db2.gz QBGTXZJATOZCNB-UHFFFAOYSA-N -1 3 317.744 4.331 20 0 DIADHM CCCc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468337488 339260107 /nfs/dbraw/zinc/26/01/07/339260107.db2.gz FGSDJKBRORDIEJ-UHFFFAOYSA-N -1 3 315.388 4.445 20 0 DIADHM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000468514491 339265179 /nfs/dbraw/zinc/26/51/79/339265179.db2.gz HAFRIADZDXQDSV-UHFFFAOYSA-N -1 3 309.818 4.264 20 0 DIADHM CSc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468547317 339265867 /nfs/dbraw/zinc/26/58/67/339265867.db2.gz IGLCDUCQVHGVBU-UHFFFAOYSA-N -1 3 319.401 4.215 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(Cl)cc1 ZINC000468547649 339265870 /nfs/dbraw/zinc/26/58/70/339265870.db2.gz JUUKYDJUTPSZFE-UHFFFAOYSA-N -1 3 307.752 4.146 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@@H]1C ZINC000469073408 339279297 /nfs/dbraw/zinc/27/92/97/339279297.db2.gz VJPCKRBNIHHIAE-YOEHRIQHSA-N -1 3 321.436 4.281 20 0 DIADHM CCC(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000469259395 339284463 /nfs/dbraw/zinc/28/44/63/339284463.db2.gz UONHEXIXSWMFAL-ZDUSSCGKSA-N -1 3 323.392 4.139 20 0 DIADHM CCc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)oc1CC ZINC000469286968 339285216 /nfs/dbraw/zinc/28/52/16/339285216.db2.gz WWSFXXWMGZZHHL-LBPRGKRZSA-N -1 3 313.397 4.264 20 0 DIADHM CCC[C@@]1(C)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469399632 339287979 /nfs/dbraw/zinc/28/79/79/339287979.db2.gz KEOVTDWOMITRSK-IBGZPJMESA-N -1 3 321.436 4.283 20 0 DIADHM CC(C)c1ccc([C@H](NC(=O)c2csc(=O)[n-]2)C(C)C)cc1 ZINC000471394886 339344166 /nfs/dbraw/zinc/34/41/66/339344166.db2.gz UHYIBCNKFBYZLI-OAHLLOKOSA-N -1 3 318.442 4.099 20 0 DIADHM [O-]c1cc(F)cc(CN[C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000472050514 339360822 /nfs/dbraw/zinc/36/08/22/339360822.db2.gz ZVCUYGRQPOJXOM-AWEZNQCLSA-N -1 3 317.257 4.064 20 0 DIADHM CC(C)COc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)cc1 ZINC000472065975 339361966 /nfs/dbraw/zinc/36/19/66/339361966.db2.gz PBLANTZVAPVVAJ-AWEZNQCLSA-N -1 3 317.404 4.417 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cc2cccc(F)c2o1 ZINC000473987225 339396336 /nfs/dbraw/zinc/39/63/36/339396336.db2.gz CURJSBCNAHNPOD-SNVBAGLBSA-N -1 3 303.308 4.267 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C(F)(F)F)o1 ZINC000474361489 339410938 /nfs/dbraw/zinc/41/09/38/339410938.db2.gz DMRCMDLDKDSIQD-UHFFFAOYSA-N -1 3 319.666 4.218 20 0 DIADHM CCc1oc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1C ZINC000476182017 339470780 /nfs/dbraw/zinc/47/07/80/339470780.db2.gz YESGXTFJLZQBKR-UHFFFAOYSA-N -1 3 313.275 4.127 20 0 DIADHM COc1ccc(CS[C@H](C)c2nc(C)cc(=O)[n-]2)cc1Cl ZINC000478612173 339519089 /nfs/dbraw/zinc/51/90/89/339519089.db2.gz SJXTZUCYLAWVSK-SNVBAGLBSA-N -1 3 324.833 4.147 20 0 DIADHM Cc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCC2)c([O-])c1 ZINC000481335704 339601715 /nfs/dbraw/zinc/60/17/15/339601715.db2.gz IBBLHVXYFSNAFW-UHFFFAOYSA-N -1 3 313.372 4.191 20 0 DIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000481862849 339615504 /nfs/dbraw/zinc/61/55/04/339615504.db2.gz BYSFUPMRMKEGSQ-UHFFFAOYSA-N -1 3 321.417 4.060 20 0 DIADHM O=c1cc(C=Cc2csc(Br)c2)nc(C2CC2)[n-]1 ZINC000486075853 339720319 /nfs/dbraw/zinc/72/03/19/339720319.db2.gz NSKJRTZYERXGLH-RJRFIUFISA-N -1 3 323.215 4.054 20 0 DIADHM CCc1cc(C(=O)Nc2ccc(CCSC)cc2)ccc1[O-] ZINC000486095970 339720996 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O=C(Nc1cc(Cl)ccc1[O-])[C@@H](c1ccccc1)C1CC1 ZINC000498631711 340021319 /nfs/dbraw/zinc/02/13/19/340021319.db2.gz OJZOVFQPHFRHFJ-INIZCTEOSA-N -1 3 301.773 4.178 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H](c1ccccc1)C1CC1 ZINC000498645980 340021469 /nfs/dbraw/zinc/02/14/69/340021469.db2.gz DYVPHLQNVXEJHU-INIZCTEOSA-N -1 3 301.773 4.178 20 0 DIADHM CCn1c(=O)[n-]nc1S[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000499365192 340035376 /nfs/dbraw/zinc/03/53/76/340035376.db2.gz WYLCFLOYSXWGLW-LLVKDONJSA-N -1 3 305.447 4.154 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1[O-] ZINC000500120945 340050616 /nfs/dbraw/zinc/05/06/16/340050616.db2.gz JDHKPLPVTBXYFR-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccn3)cc2)ccc1[O-] ZINC000500614896 340063698 /nfs/dbraw/zinc/06/36/98/340063698.db2.gz ZTFRMAPOMCRRQU-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CSc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000501943455 340091137 /nfs/dbraw/zinc/09/11/37/340091137.db2.gz CRVUGZBYFLGXPQ-UHFFFAOYSA-N -1 3 305.399 4.257 20 0 DIADHM Cc1ccc(F)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000501976056 340091844 /nfs/dbraw/zinc/09/18/44/340091844.db2.gz KZGSTKLGAIGOOZ-UHFFFAOYSA-N -1 3 301.361 4.390 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@H]3C)o2)c([O-])c1 ZINC000502664808 340109807 /nfs/dbraw/zinc/10/98/07/340109807.db2.gz IHKWNDNSVBUYSD-ZOBORPQBSA-N -1 3 311.381 4.159 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCCC(F)(F)C1 ZINC000503720470 340134011 /nfs/dbraw/zinc/13/40/11/340134011.db2.gz YOZCHDLRLCWVPF-QMMMGPOBSA-N -1 3 323.261 4.175 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2scnc2-c2ccccc2)on1 ZINC000504923315 340156357 /nfs/dbraw/zinc/15/63/57/340156357.db2.gz HTBPFMQUFQWFOQ-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM COc1ccsc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506243636 340189196 /nfs/dbraw/zinc/18/91/96/340189196.db2.gz MGSCZACJLOZAIE-UHFFFAOYSA-N -1 3 305.399 4.012 20 0 DIADHM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506226894 340189288 /nfs/dbraw/zinc/18/92/88/340189288.db2.gz IFPUIBUHICCIMU-UHFFFAOYSA-N -1 3 305.418 4.024 20 0 DIADHM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506244167 340189873 /nfs/dbraw/zinc/18/98/73/340189873.db2.gz UPHFQHOMDKUYIA-CYBMUJFWSA-N -1 3 313.397 4.096 20 0 DIADHM [O-]c1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1Cl ZINC000507052100 340206178 /nfs/dbraw/zinc/20/61/78/340206178.db2.gz LTXKEIQKLIGKIP-UHFFFAOYSA-N -1 3 315.800 4.041 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2cccc(F)c2)c1F ZINC000507227061 340214573 /nfs/dbraw/zinc/21/45/73/340214573.db2.gz HSEZLNXRVFZXAB-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM CCN(Cc1ccc(OC)cc1)Cc1cccc([O-])c1Cl ZINC000507246528 340215495 /nfs/dbraw/zinc/21/54/95/340215495.db2.gz IZXAYSBFFBCVKJ-UHFFFAOYSA-N -1 3 305.805 4.076 20 0 DIADHM CN(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1 ZINC000507288175 340216575 /nfs/dbraw/zinc/21/65/75/340216575.db2.gz ZIUJSVDNDZUZMK-UHFFFAOYSA-N -1 3 312.413 4.008 20 0 DIADHM [O-]c1cccc(CN2CCC(OC3CCCCC3)CC2)c1Cl ZINC000507954643 340236535 /nfs/dbraw/zinc/23/65/35/340236535.db2.gz XXSLVXRGBMFHPA-UHFFFAOYSA-N -1 3 323.864 4.359 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)s1 ZINC000508234001 340241113 /nfs/dbraw/zinc/24/11/13/340241113.db2.gz FJSPJABUOXVXRN-CYBMUJFWSA-N -1 3 309.381 4.377 20 0 DIADHM CCCN(Cc1cccc([O-])c1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000508718444 340251386 /nfs/dbraw/zinc/25/13/86/340251386.db2.gz LEMLAULSOYEAEN-XYPHTWIQSA-N -1 3 323.864 4.071 20 0 DIADHM CC(C)N(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000508772781 340252735 /nfs/dbraw/zinc/25/27/35/340252735.db2.gz XRQFWPPQINFWOY-UHFFFAOYSA-N -1 3 317.816 4.025 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000508800880 340253347 /nfs/dbraw/zinc/25/33/47/340253347.db2.gz LNGRFAGWYUVEET-KCQAQPDRSA-N -1 3 321.848 4.063 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000508800879 340253421 /nfs/dbraw/zinc/25/34/21/340253421.db2.gz LNGRFAGWYUVEET-GZBFAFLISA-N -1 3 321.848 4.063 20 0 DIADHM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cccc([O-])c1 ZINC000508923862 340255842 /nfs/dbraw/zinc/25/58/42/340255842.db2.gz PEKMDXOCMIBKSU-UHFFFAOYSA-N -1 3 321.380 4.109 20 0 DIADHM CN(C(=O)Cc1ccc([O-])cc1Cl)C1CCC(C)(C)CC1 ZINC000509029369 340258717 /nfs/dbraw/zinc/25/87/17/340258717.db2.gz FQRGATISFHBQNX-UHFFFAOYSA-N -1 3 309.837 4.015 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cccc([O-])c1 ZINC000509119504 340261725 /nfs/dbraw/zinc/26/17/25/340261725.db2.gz CIEGHQGSDMTUQA-SFHVURJKSA-N -1 3 311.425 4.184 20 0 DIADHM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000509139417 340262086 /nfs/dbraw/zinc/26/20/86/340262086.db2.gz OVBKJQFYVIEWOP-LQAWEQHXSA-N -1 3 315.800 4.173 20 0 DIADHM CC(C)Sc1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000509291581 340265485 /nfs/dbraw/zinc/26/54/85/340265485.db2.gz VZWFEVGIRNJUNV-ZDUSSCGKSA-N -1 3 315.438 4.384 20 0 DIADHM CCCOc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000510145956 340290518 /nfs/dbraw/zinc/29/05/18/340290518.db2.gz VDBFFJLXOPIDCK-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CCCOc1cc(C)ccc1CNCc1c(F)ccc([O-])c1F ZINC000511666114 340334711 /nfs/dbraw/zinc/33/47/11/340334711.db2.gz LLBIRACYOPGENK-UHFFFAOYSA-N -1 3 321.367 4.057 20 0 DIADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000512929563 340384429 /nfs/dbraw/zinc/38/44/29/340384429.db2.gz CSZWMXJNKYTKOY-INIZCTEOSA-N -1 3 321.779 4.312 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1F ZINC000513401284 340405968 /nfs/dbraw/zinc/40/59/68/340405968.db2.gz KYUKKJNNOGYLTL-AULYBMBSSA-N -1 3 323.770 4.360 20 0 DIADHM [O-]c1cc(F)cc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000185449867 340501136 /nfs/dbraw/zinc/50/11/36/340501136.db2.gz XBUKSDTWMNQVEV-QGZVFWFLSA-N -1 3 305.780 4.426 20 0 DIADHM Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)ccc1[O-] ZINC000227017355 340594129 /nfs/dbraw/zinc/59/41/29/340594129.db2.gz DSRIKEUGPJVNHT-LBPRGKRZSA-N -1 3 303.789 4.187 20 0 DIADHM CC(C)Oc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000232693576 340635179 /nfs/dbraw/zinc/63/51/79/340635179.db2.gz GXEJBGRYALACKB-UHFFFAOYSA-N -1 3 305.761 4.085 20 0 DIADHM O=C(Nc1ccc(Cl)c(F)c1)c1cc([O-])ccc1Cl ZINC000236558004 340662552 /nfs/dbraw/zinc/66/25/52/340662552.db2.gz MDGOXYYXLIGSQP-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C(Nc1ccc(F)c(Cl)c1)c1cc([O-])ccc1Cl ZINC000236558153 340662635 /nfs/dbraw/zinc/66/26/35/340662635.db2.gz YVJLGRFNWVQDDT-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1ccc([O-])c(-c2nc(Cc3c(F)cccc3Cl)no2)c1 ZINC000316018039 340677846 /nfs/dbraw/zinc/67/78/46/340677846.db2.gz KSQWNEWSHURBGR-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(C)c4ccccc4n3)no2)c([O-])c1 ZINC000325965626 340710687 /nfs/dbraw/zinc/71/06/87/340710687.db2.gz STSOVIKBMJNWGK-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000069692925 340710837 /nfs/dbraw/zinc/71/08/37/340710837.db2.gz DXONAWADRQMEGY-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(CCc1cccc(Cl)c1)Nc1cc(Cl)ccc1[O-] ZINC000111210619 340711849 /nfs/dbraw/zinc/71/18/49/340711849.db2.gz YVRLHCBETBHTNO-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cccc(C(F)F)c1F ZINC000529012703 340742471 /nfs/dbraw/zinc/74/24/71/340742471.db2.gz YNYXZFSCWUYNRH-UHFFFAOYSA-N -1 3 310.275 4.189 20 0 DIADHM Cc1cccc(F)c1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000538432734 340823528 /nfs/dbraw/zinc/82/35/28/340823528.db2.gz QCRBYDCXHPRHHD-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1[O-] ZINC000538746402 340846817 /nfs/dbraw/zinc/84/68/17/340846817.db2.gz URMPYWZVKCZXRX-ZDUSSCGKSA-N -1 3 313.422 4.232 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000538748242 340846847 /nfs/dbraw/zinc/84/68/47/340846847.db2.gz ZNIHMEKUWSRFRL-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM CCc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1[O-] ZINC000538789690 340851877 /nfs/dbraw/zinc/85/18/77/340851877.db2.gz KGJXMWCCLRYGCU-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc([O-])c1F ZINC000128282262 340865029 /nfs/dbraw/zinc/86/50/29/340865029.db2.gz ZEDZJBWNUAIBAS-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM CC[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(OC)cc1 ZINC000539391239 340883568 /nfs/dbraw/zinc/88/35/68/340883568.db2.gz DQUSXESJMUZHHW-AWEZNQCLSA-N -1 3 319.788 4.187 20 0 DIADHM CC(C)c1cc(C(=O)N2CCCSCC2)c([O-])c(C(C)C)c1 ZINC000539844054 340905476 /nfs/dbraw/zinc/90/54/76/340905476.db2.gz JZNWRRUBIJFZLP-UHFFFAOYSA-N -1 3 321.486 4.218 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC000539847950 340905639 /nfs/dbraw/zinc/90/56/39/340905639.db2.gz LRLNDUBXGHFEDE-LLVKDONJSA-N -1 3 319.351 4.066 20 0 DIADHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000128701103 340908260 /nfs/dbraw/zinc/90/82/60/340908260.db2.gz GRAWYWRFBNPQTL-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM Cc1cc2occ(CC(=O)Nc3cccc([O-])c3F)c2cc1C ZINC000129259201 340952237 /nfs/dbraw/zinc/95/22/37/340952237.db2.gz CDIWOQQUEDHQSY-UHFFFAOYSA-N -1 3 313.328 4.076 20 0 DIADHM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000541169591 340960516 /nfs/dbraw/zinc/96/05/16/340960516.db2.gz JDOODLMHACKLRE-INIZCTEOSA-N -1 3 319.401 4.287 20 0 DIADHM CCc1cccc(-c2nc(-c3nccc4ccccc43)no2)c1[O-] ZINC000544616831 341089408 /nfs/dbraw/zinc/08/94/08/341089408.db2.gz IWBXZBMNWMVKJN-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3ccccc3n2C)c2c([O-])cccc21 ZINC000545246319 341117147 /nfs/dbraw/zinc/11/71/47/341117147.db2.gz RACIBYKFJPIZJR-ZDUSSCGKSA-N -1 3 320.392 4.038 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC(OCC3CCCCC3)CC2)c1 ZINC000546035366 341152249 /nfs/dbraw/zinc/15/22/49/341152249.db2.gz UZZMYCIRXIXLRE-UHFFFAOYSA-N -1 3 321.436 4.093 20 0 DIADHM Cc1cccc(CCC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000546660251 341177723 /nfs/dbraw/zinc/17/77/23/341177723.db2.gz DYHOQUJXHDEGNL-HNNXBMFYSA-N -1 3 309.409 4.174 20 0 DIADHM [O-]c1cc(F)cc(CNCc2cccc(Cl)c2Cl)c1 ZINC000546728555 341180601 /nfs/dbraw/zinc/18/06/01/341180601.db2.gz RSQIODQKZPNIKV-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1cc(F)c(Cl)cc1F ZINC000133754937 341185350 /nfs/dbraw/zinc/18/53/50/341185350.db2.gz WZHZQIJVXWLDSR-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM CC(C)C[C@@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000077364602 341223781 /nfs/dbraw/zinc/22/37/81/341223781.db2.gz PFVTZRMQWUPNSX-ZDUSSCGKSA-N -1 3 319.474 4.188 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1occc1Br ZINC000080938338 341276971 /nfs/dbraw/zinc/27/69/71/341276971.db2.gz KJKZVXIUPYCBBD-UHFFFAOYSA-N -1 3 312.188 4.016 20 0 DIADHM O=C(CCC(F)(F)F)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000081459946 341291701 /nfs/dbraw/zinc/29/17/01/341291701.db2.gz JFYLDCPKCZNVDN-UHFFFAOYSA-N -1 3 323.314 4.264 20 0 DIADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1c(F)cccc1F ZINC000552433181 341393576 /nfs/dbraw/zinc/39/35/76/341393576.db2.gz BIABWAPWPBVUGH-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000552438133 341393758 /nfs/dbraw/zinc/39/37/58/341393758.db2.gz LMUYWFIHYJPFAA-INIZCTEOSA-N -1 3 315.800 4.195 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-c2ccccc2)[nH]1 ZINC000552782262 341404298 /nfs/dbraw/zinc/40/42/98/341404298.db2.gz BXDYHBIHLWCZHU-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM O=C(CCSc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000553225808 341420715 /nfs/dbraw/zinc/42/07/15/341420715.db2.gz LAAFELWCZGLUTH-UHFFFAOYSA-N -1 3 307.802 4.167 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCc2cc(Cl)ccc21 ZINC000553296898 341423739 /nfs/dbraw/zinc/42/37/39/341423739.db2.gz VSXQPIPVVCCSRB-UHFFFAOYSA-N -1 3 323.779 4.402 20 0 DIADHM CCc1cccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)c1[O-] ZINC000553733592 341435081 /nfs/dbraw/zinc/43/50/81/341435081.db2.gz DDOKMTNHCWLQGG-UHFFFAOYSA-N -1 3 313.397 4.141 20 0 DIADHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000556189862 341496713 /nfs/dbraw/zinc/49/67/13/341496713.db2.gz MFXSDUOAHWMYOX-OCCSQVGLSA-N -1 3 315.800 4.064 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)cc(Cl)c1 ZINC000565332045 341524087 /nfs/dbraw/zinc/52/40/87/341524087.db2.gz MKFXZDLBCHUCFG-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1ccsc1CCCC(=O)Nc1c([O-])cccc1Cl ZINC000565374661 341525468 /nfs/dbraw/zinc/52/54/68/341525468.db2.gz VROQKFAIJVAHIA-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM C[C@@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccc(F)cc1 ZINC000155648715 341610669 /nfs/dbraw/zinc/61/06/69/341610669.db2.gz AWMSFXYHCVBVFB-ZDUSSCGKSA-N -1 3 313.372 4.004 20 0 DIADHM C[C@@H]1C[C@@H](c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)CCO1 ZINC000577990381 341964301 /nfs/dbraw/zinc/96/43/01/341964301.db2.gz MRTYXWAGWPURDV-SFYZADRCSA-N -1 3 323.805 4.215 20 0 DIADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1ncoc1C1CC1 ZINC000297845370 534525814 /nfs/dbraw/zinc/52/58/14/534525814.db2.gz UUVXRZGCHZYMEY-UHFFFAOYSA-N -1 3 318.398 4.095 20 0 DIADHM CC(C)(C)C[C@H](CC(=O)[O-])NCc1cccc(Cl)c1Cl ZINC000284248659 534634866 /nfs/dbraw/zinc/63/48/66/534634866.db2.gz OFGKKWCLENHYLV-NSHDSACASA-N -1 3 318.244 4.363 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCCCC(=O)[O-] ZINC000181544216 526046450 /nfs/dbraw/zinc/04/64/50/526046450.db2.gz UJGREJWXYOJARF-JTQLQIEISA-N -1 3 304.217 4.241 20 0 DIADHM [O-]c1cccc(Nc2cc(F)c(F)cc2F)c1Br ZINC001175091169 1048139214 /nfs/dbraw/zinc/13/92/14/1048139214.db2.gz KVELSYQXEDGTFE-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM O=C(C[C@@H]1CCc2ccccc21)Nc1cc(Cl)ccc1[O-] ZINC000261408411 1035517778 /nfs/dbraw/zinc/51/77/78/1035517778.db2.gz BXYGMOCODARUAQ-LBPRGKRZSA-N -1 3 301.773 4.104 20 0 DIADHM CC/C(C)=C(\C)C(=O)Nc1c([O-])ccc(Br)c1C ZINC000833833573 1035586381 /nfs/dbraw/zinc/58/63/81/1035586381.db2.gz MZIUMPNAFXDWGG-CMDGGOBGSA-N -1 3 312.207 4.148 20 0 DIADHM Cc1ccc(CC2CN(C(=O)c3ccc(C(C)C)cc3[O-])C2)cc1 ZINC001167097955 1036019749 /nfs/dbraw/zinc/01/97/49/1036019749.db2.gz WVRFCWVKZZDLJO-UHFFFAOYSA-N -1 3 323.436 4.139 20 0 DIADHM CC(C)c1ocnc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000091208614 1036198860 /nfs/dbraw/zinc/19/88/60/1036198860.db2.gz NLBHVZUOAHMPPY-UHFFFAOYSA-N -1 3 317.414 4.281 20 0 DIADHM Cc1ccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)cc1C ZINC001167261932 1036343613 /nfs/dbraw/zinc/34/36/13/1036343613.db2.gz PWWCAZSQHYTNBZ-UHFFFAOYSA-N -1 3 319.408 4.102 20 0 DIADHM [O-]c1c(F)cc(Br)cc1NC1=CCC(F)(F)CC1 ZINC001210035737 1036358972 /nfs/dbraw/zinc/35/89/72/1036358972.db2.gz JHIBZGZLNBUTHL-UHFFFAOYSA-N -1 3 322.124 4.409 20 0 DIADHM Cc1c(Br)nccc1Nc1cccc(Cl)c1[O-] ZINC001210220025 1036536307 /nfs/dbraw/zinc/53/63/07/1036536307.db2.gz JTVMXLNPJKZZHE-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COc1cc(Nc2cccc(Cl)c2[O-])c(OC)cc1Cl ZINC001210218785 1036537901 /nfs/dbraw/zinc/53/79/01/1036537901.db2.gz FZYRZHGVOMKKMP-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM COc1ccc(Nc2cccc(Cl)c2[O-])c2ncccc12 ZINC001210223558 1036543742 /nfs/dbraw/zinc/54/37/42/1036543742.db2.gz ZRMDHYPWGHOSJY-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1cc(Cl)c(Nc2cnn(C(F)(F)F)c2)cc1Cl ZINC001210361733 1036645126 /nfs/dbraw/zinc/64/51/26/1036645126.db2.gz CBJGUKLREXOONM-UHFFFAOYSA-N -1 3 312.078 4.115 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccn(CC(C)C)n1 ZINC000891043171 1036658168 /nfs/dbraw/zinc/65/81/68/1036658168.db2.gz LPCYVFRURSZHES-UHFFFAOYSA-N -1 3 321.421 4.043 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc3ccccc3o2)c(F)c1 ZINC000340528257 1036788697 /nfs/dbraw/zinc/78/86/97/1036788697.db2.gz BHCGUJGAERFBMF-UHFFFAOYSA-N -1 3 315.275 4.166 20 0 DIADHM [O-]c1cc(F)cc(CNCc2cc(Cl)sc2Cl)c1 ZINC000312747961 1037008607 /nfs/dbraw/zinc/00/86/07/1037008607.db2.gz RGWXCAYNAPIVSG-UHFFFAOYSA-N -1 3 306.189 4.189 20 0 DIADHM [O-]c1cccc(Nc2ccnn2Cc2ccccc2F)c1Cl ZINC001210851545 1037013057 /nfs/dbraw/zinc/01/30/57/1037013057.db2.gz BNVCYJNXJITBJD-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM O=C([O-])[C@H]1CN(CCC2CCCCCC2)Cc2ccccc21 ZINC000394583482 1037169710 /nfs/dbraw/zinc/16/97/10/1037169710.db2.gz UEKDAKAVWWCBBV-SFHVURJKSA-N -1 3 301.430 4.031 20 0 DIADHM COc1ccc(C(C)=O)c(Nc2ccc(F)c([O-])c2)c1Cl ZINC001211221004 1037213826 /nfs/dbraw/zinc/21/38/26/1037213826.db2.gz XSLBAQMNZDWQEJ-UHFFFAOYSA-N -1 3 309.724 4.140 20 0 DIADHM CCCc1nnc([N-]C(=O)c2occc2-c2ccccc2)s1 ZINC000026840703 1037347450 /nfs/dbraw/zinc/34/74/50/1037347450.db2.gz NMDSOSBLUIPOHJ-UHFFFAOYSA-N -1 3 313.382 4.003 20 0 DIADHM [O-]c1cc(F)c(Nc2ncc(C(F)(F)F)cc2Cl)cc1F ZINC001215570586 1037382813 /nfs/dbraw/zinc/38/28/13/1037382813.db2.gz UYEMPRYYIYGHGX-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM CCCN(CCC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000581197063 1037465219 /nfs/dbraw/zinc/46/52/19/1037465219.db2.gz UXKLXVBNTFCJJH-UHFFFAOYSA-N -1 3 318.442 4.130 20 0 DIADHM Cc1cc([C@H](C)N2CCC[C@@H]2c2cccs2)oc1C(=O)[O-] ZINC000581612859 1037781614 /nfs/dbraw/zinc/78/16/14/1037781614.db2.gz HMCXTBMBHHKEQP-NWDGAFQWSA-N -1 3 305.399 4.246 20 0 DIADHM CC[C@@H](C)N(CC)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000656757991 1037840015 /nfs/dbraw/zinc/84/00/15/1037840015.db2.gz XTWPIVIPSRXZOU-GFCCVEGCSA-N -1 3 318.442 4.129 20 0 DIADHM O=c1cc(C(F)(F)F)nc(CNc2cccc(C3CCC3)c2)[n-]1 ZINC000581858077 1038036351 /nfs/dbraw/zinc/03/63/51/1038036351.db2.gz YBEUHUQDLFUGBT-UHFFFAOYSA-N -1 3 323.318 4.081 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/CCSCc1ccccc1 ZINC000061002244 1038160704 /nfs/dbraw/zinc/16/07/04/1038160704.db2.gz DEOBBSJTRRCINZ-WOJGMQOQSA-N -1 3 305.830 4.398 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000061142315 1038240621 /nfs/dbraw/zinc/24/06/21/1038240621.db2.gz RSGNMADFIOFHRA-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000061142315 1038240630 /nfs/dbraw/zinc/24/06/30/1038240630.db2.gz RSGNMADFIOFHRA-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000276990128 1038346840 /nfs/dbraw/zinc/34/68/40/1038346840.db2.gz JSPPRKZPJKKWPR-CQSZACIVSA-N -1 3 309.818 4.016 20 0 DIADHM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000606530872 1038611851 /nfs/dbraw/zinc/61/18/51/1038611851.db2.gz DQFRIQLDIAUEGF-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM 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Cc1nc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)cs1 ZINC000614434635 1042523020 /nfs/dbraw/zinc/52/30/20/1042523020.db2.gz IAOWIDTZNMYGJJ-UHFFFAOYSA-N -1 3 317.439 4.098 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1Cl ZINC000421359227 1042632455 /nfs/dbraw/zinc/63/24/55/1042632455.db2.gz FLEOAQYBEDHYDR-JTQLQIEISA-N -1 3 307.743 4.210 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1cccc([O-])c1F ZINC000519516336 1042952787 /nfs/dbraw/zinc/95/27/87/1042952787.db2.gz OMAWHOKJGKGPMI-QWHCGFSZSA-N -1 3 313.372 4.459 20 0 DIADHM CC1(C)CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000567055072 1043098592 /nfs/dbraw/zinc/09/85/92/1043098592.db2.gz MHZKPLAGAKRBBT-ZDUSSCGKSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000623172030 1043186899 /nfs/dbraw/zinc/18/68/99/1043186899.db2.gz QKSJTVZMPQSEQP-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CCCC(=O)Nc1cccc(NCc2cc([O-])cc(F)c2)c1C ZINC000185490406 1043203060 /nfs/dbraw/zinc/20/30/60/1043203060.db2.gz 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CC[C@@H]1CCCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])CC1 ZINC000903894522 1046337711 /nfs/dbraw/zinc/33/77/11/1046337711.db2.gz YMUKTPZRRVNDPI-SNVBAGLBSA-N -1 3 319.323 4.009 20 0 DIADHM CC[C@H]1CCCCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903894245 1046338388 /nfs/dbraw/zinc/33/83/88/1046338388.db2.gz RLDOHSLBTFQZSJ-JTQLQIEISA-N -1 3 319.323 4.151 20 0 DIADHM O=C(/C=C\c1ccc2ccccc2n1)Nc1ccc(Cl)cc1[O-] ZINC000759698958 1046374188 /nfs/dbraw/zinc/37/41/88/1046374188.db2.gz WFENJHSSCMLRTN-NTMALXAHSA-N -1 3 324.767 4.246 20 0 DIADHM O=C(/C=C/c1ccc2ccccc2n1)Nc1ccc(Cl)cc1[O-] ZINC000759698955 1046374332 /nfs/dbraw/zinc/37/43/32/1046374332.db2.gz WFENJHSSCMLRTN-CSKARUKUSA-N -1 3 324.767 4.246 20 0 DIADHM CCc1cc2c(CSc3ccoc3C)cc(=O)oc2cc1[O-] ZINC000780809078 1046406901 /nfs/dbraw/zinc/40/69/01/1046406901.db2.gz BCIIXXWGEZMCRS-UHFFFAOYSA-N -1 3 316.378 4.255 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)n1 ZINC001139457634 1046452847 /nfs/dbraw/zinc/45/28/47/1046452847.db2.gz 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3 319.229 4.441 20 0 DIADHM COc1cc(F)c(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001212016510 1046825371 /nfs/dbraw/zinc/82/53/71/1046825371.db2.gz TVUCKNXHMHUDAK-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H]2c2ccc(O)cc2)c1Cl ZINC000646065654 1046851511 /nfs/dbraw/zinc/85/15/11/1046851511.db2.gz PLUGMIJHRZMLGW-HNNXBMFYSA-N -1 3 303.789 4.088 20 0 DIADHM [O-]c1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1Cl ZINC000646072086 1046854061 /nfs/dbraw/zinc/85/40/61/1046854061.db2.gz FLVRTOBENSCKFK-QGZVFWFLSA-N -1 3 317.816 4.009 20 0 DIADHM Cc1cc(F)ccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646625983 1046915295 /nfs/dbraw/zinc/91/52/95/1046915295.db2.gz CGXPKCYFSHSVJL-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM [O-]c1c(Cl)cc(CN2CC[C@H]3CCC[C@H]3C2)cc1Cl ZINC001140832664 1046921571 /nfs/dbraw/zinc/92/15/71/1046921571.db2.gz BEZAVWLGENRKJU-NEPJUHHUSA-N -1 3 300.229 4.321 20 0 DIADHM [O-]c1c(Cl)cc(CN2CCC3(CCCC3)C2)cc1Cl ZINC001140834716 1046924321 /nfs/dbraw/zinc/92/43/21/1046924321.db2.gz 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CCc1ccc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c([O-])c1 ZINC001141525890 1047162898 /nfs/dbraw/zinc/16/28/98/1047162898.db2.gz RGCQCXAGNHKEKP-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(Cl)s2)c(F)c1 ZINC000537439334 1047183048 /nfs/dbraw/zinc/18/30/48/1047183048.db2.gz IVSKKVOSYRTKHO-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCCC23CCCC3)c([O-])c1 ZINC001141558816 1047185883 /nfs/dbraw/zinc/18/58/83/1047185883.db2.gz ZJIMGVWHLULOBF-KRWDZBQOSA-N -1 3 301.430 4.187 20 0 DIADHM [O-]c1ccc(Br)cc1C=Nc1cc(F)ccc1F ZINC000254445017 1047210700 /nfs/dbraw/zinc/21/07/00/1047210700.db2.gz NYGZHXIFHDGETP-UHFFFAOYSA-N -1 3 312.113 4.184 20 0 DIADHM CCc1cccc(C(=O)N2CCc3sccc3[C@H]2CC)c1[O-] ZINC001141597047 1047211006 /nfs/dbraw/zinc/21/10/06/1047211006.db2.gz GWEKPDIHVFKOKE-OAHLLOKOSA-N -1 3 315.438 4.166 20 0 DIADHM CCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCCC1 ZINC000476163061 1047247286 /nfs/dbraw/zinc/24/72/86/1047247286.db2.gz PAQARZDEAIJIJD-UHFFFAOYSA-N -1 3 301.308 4.320 20 0 DIADHM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC000476166259 1047247320 /nfs/dbraw/zinc/24/73/20/1047247320.db2.gz RAUJCFLGJQLXKO-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc(C)c(Cl)cc2C)c1[O-] ZINC001141649398 1047247870 /nfs/dbraw/zinc/24/78/70/1047247870.db2.gz MTWBTJKILWDDPK-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM CC(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000254826552 1047248323 /nfs/dbraw/zinc/24/83/23/1047248323.db2.gz SHMSVERALQKSFA-UHFFFAOYSA-N -1 3 318.170 4.108 20 0 DIADHM Cc1ccccc1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476180086 1047251345 /nfs/dbraw/zinc/25/13/45/1047251345.db2.gz YSDYEFDDZRIEEO-UHFFFAOYSA-N -1 3 323.314 4.291 20 0 DIADHM CCc1cccc(C(=O)N2CCCC[C@H]2CCC(C)C)c1[O-] ZINC001137513469 1047267125 /nfs/dbraw/zinc/26/71/25/1047267125.db2.gz IUWSZJYELJMBEB-INIZCTEOSA-N -1 3 303.446 4.386 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001142513236 1047280378 /nfs/dbraw/zinc/28/03/78/1047280378.db2.gz BKAGAVFQZIEGBJ-JKSUJKDBSA-N -1 3 303.446 4.241 20 0 DIADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000650807606 1047282206 /nfs/dbraw/zinc/28/22/06/1047282206.db2.gz CKBWNWNFMLGMCF-AWEZNQCLSA-N -1 3 323.845 4.364 20 0 DIADHM CC(C)n1ncc2c1[C@@H](N[C@@H](C)c1cccc([O-])c1F)CCC2 ZINC001119002345 1047320609 /nfs/dbraw/zinc/32/06/09/1047320609.db2.gz MIHRQELCIKTHFG-WFASDCNBSA-N -1 3 317.408 4.037 20 0 DIADHM O=C([O-])[C@@H]1CN(CCCC2CCCCC2)Cc2ccccc21 ZINC000395177256 1047323940 /nfs/dbraw/zinc/32/39/40/1047323940.db2.gz OAZAVOJHSVTFGS-GOSISDBHSA-N -1 3 301.430 4.031 20 0 DIADHM CN(Cc1c(Cl)cc([O-])cc1Cl)CC1CC(F)(F)C1 ZINC001142115075 1047383354 /nfs/dbraw/zinc/38/33/54/1047383354.db2.gz WCNHUKNTWQXSAY-UHFFFAOYSA-N -1 3 310.171 4.176 20 0 DIADHM [O-]c1cc(Cl)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c(Cl)c1 ZINC001142105494 1047380323 /nfs/dbraw/zinc/38/03/23/1047380323.db2.gz BWQQISWNEOKUKO-DTORHVGOSA-N -1 3 322.182 4.176 20 0 DIADHM CN(Cc1cccc(O)c1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142106086 1047381478 /nfs/dbraw/zinc/38/14/78/1047381478.db2.gz YPMWMDPNTUZEFA-UHFFFAOYSA-N -1 3 312.196 4.037 20 0 DIADHM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001142149171 1047390297 /nfs/dbraw/zinc/39/02/97/1047390297.db2.gz GEZAAVZZGQYZEP-UAGQMJEPSA-N -1 3 309.409 4.094 20 0 DIADHM COc1cccc(C(=O)Nc2ccc(Cl)c(SC)c2)c1[O-] ZINC001142246200 1047415545 /nfs/dbraw/zinc/41/55/45/1047415545.db2.gz ANRYAFWPKMVWSU-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM CC(C)CO[N-]C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000750006235 1047453358 /nfs/dbraw/zinc/45/33/58/1047453358.db2.gz ONXLGCSLGOGWTA-UHFFFAOYSA-N -1 3 304.217 4.020 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccccc2)CC(C)C)c([O-])c1 ZINC001142544246 1047466877 /nfs/dbraw/zinc/46/68/77/1047466877.db2.gz XBYLCWVXMWLIJI-UHFFFAOYSA-N -1 3 311.425 4.253 20 0 DIADHM CCN(Cc1cccc(F)c1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142663070 1047477116 /nfs/dbraw/zinc/47/71/16/1047477116.db2.gz HXLNMKBSRNHVNH-UHFFFAOYSA-N -1 3 321.779 4.199 20 0 DIADHM CCN(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142660248 1047477147 /nfs/dbraw/zinc/47/71/47/1047477147.db2.gz LLHXTXSIALJBCN-UHFFFAOYSA-N -1 3 321.779 4.199 20 0 DIADHM O=C(Nc1ccccc1C(F)F)c1cc2c(cc1[O-])CCCC2 ZINC001142758148 1047490618 /nfs/dbraw/zinc/49/06/18/1047490618.db2.gz FZBJNZCGAMXFAN-UHFFFAOYSA-N -1 3 317.335 4.461 20 0 DIADHM Cc1ccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC001142787636 1047496129 /nfs/dbraw/zinc/49/61/29/1047496129.db2.gz STNQBBRUQCKISI-IBGZPJMESA-N -1 3 321.420 4.383 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3C2(C)C)c([O-])c1 ZINC001142821457 1047499687 /nfs/dbraw/zinc/49/96/87/1047499687.db2.gz IKZZMVMMHNTLEQ-UHFFFAOYSA-N -1 3 323.436 4.449 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c([O-])c1 ZINC001142963032 1047519557 /nfs/dbraw/zinc/51/95/57/1047519557.db2.gz DUTQWZXHALSREQ-RDJZCZTQSA-N -1 3 315.457 4.243 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[O-] ZINC001142962707 1047520239 /nfs/dbraw/zinc/52/02/39/1047520239.db2.gz BNBRNDYBEJHNRD-NVXWUHKLSA-N -1 3 315.457 4.243 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000060244991 1047536889 /nfs/dbraw/zinc/53/68/89/1047536889.db2.gz BSIDGLSDUCIPAX-OLZOCXBDSA-N -1 3 322.191 4.441 20 0 DIADHM CC(C)(C)C1CCC(CC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001150368026 1047576825 /nfs/dbraw/zinc/57/68/25/1047576825.db2.gz QBNBGOVISSICKL-UHFFFAOYSA-N -1 3 321.436 4.390 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1[O-] ZINC001150501771 1047577898 /nfs/dbraw/zinc/57/78/98/1047577898.db2.gz JKUANTRWBJRPML-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM CCc1oc2ccccc2c1CC(=O)Nc1cccc([O-])c1F ZINC001151093478 1047592218 /nfs/dbraw/zinc/59/22/18/1047592218.db2.gz XNHGJDGHQFBSDY-UHFFFAOYSA-N -1 3 313.328 4.021 20 0 DIADHM CCc1cccc(C(=O)N[C@](C)(CC)c2ccc(F)cc2)c1[O-] ZINC001151161102 1047592792 /nfs/dbraw/zinc/59/27/92/1047592792.db2.gz NXKQIFYGXYPQHK-LJQANCHMSA-N -1 3 315.388 4.149 20 0 DIADHM Cc1cccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001152122492 1047608025 /nfs/dbraw/zinc/60/80/25/1047608025.db2.gz GYHHURDVBHTDJN-AWEZNQCLSA-N -1 3 305.377 4.345 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(F)cc2F)n1 ZINC000477348067 1047615343 /nfs/dbraw/zinc/61/53/43/1047615343.db2.gz HEFJXRXKYCHUDX-SECBINFHSA-N -1 3 310.369 4.017 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2OC(C)C)c1 ZINC001152752478 1047615677 /nfs/dbraw/zinc/61/56/77/1047615677.db2.gz CETMMQXVQRCFPX-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM CC(C)c1cccnc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154023132 1047637802 /nfs/dbraw/zinc/63/78/02/1047637802.db2.gz OCMFBPIRNVVQQO-UHFFFAOYSA-N -1 3 322.364 4.022 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc3c(C)nccc23)c([O-])c1 ZINC001154606264 1047651375 /nfs/dbraw/zinc/65/13/75/1047651375.db2.gz VCFYDTCUOFGOPC-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM CSc1ccc([O-])c(C(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC000667049126 1047658555 /nfs/dbraw/zinc/65/85/55/1047658555.db2.gz UCCFJALWEOTAEG-LLVKDONJSA-N -1 3 317.410 4.073 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001154894020 1047661385 /nfs/dbraw/zinc/66/13/85/1047661385.db2.gz JFEXOPWPLMNKIU-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OC1CCCCC1 ZINC001155056501 1047666140 /nfs/dbraw/zinc/66/61/40/1047666140.db2.gz SFROCAIVAUGXDU-GJZGRUSLSA-N -1 3 301.430 4.356 20 0 DIADHM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CCC2)c([O-])c1 ZINC001155930065 1047691879 /nfs/dbraw/zinc/69/18/79/1047691879.db2.gz LFYPAAVJLYKEQC-UHFFFAOYSA-N -1 3 313.372 4.035 20 0 DIADHM O=C(Nc1c[nH]c2ccccc12)c1cc2sccc2c([O-])c1 ZINC001157072869 1047734566 /nfs/dbraw/zinc/73/45/66/1047734566.db2.gz UIAHRNBWXIFBRK-UHFFFAOYSA-N -1 3 308.362 4.341 20 0 DIADHM [O-]c1cccc(Nc2cc(F)nc(C(F)(F)F)c2)c1Cl ZINC001213010117 1047747489 /nfs/dbraw/zinc/74/74/89/1047747489.db2.gz VAROOQRABXTXOF-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM Cc1cc2ccccc2c(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001158562300 1047789956 /nfs/dbraw/zinc/78/99/56/1047789956.db2.gz JYGLKDKFLBPSGI-UHFFFAOYSA-N -1 3 309.340 4.174 20 0 DIADHM [O-]c1cccnc1CNc1nc(Cl)ccc1-c1ccccc1 ZINC001158774858 1047798051 /nfs/dbraw/zinc/79/80/51/1047798051.db2.gz SMGQWIZOSLRTLN-UHFFFAOYSA-N -1 3 311.772 4.115 20 0 DIADHM Cc1ccc2sc(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)cc2c1 ZINC001159063722 1047809701 /nfs/dbraw/zinc/80/97/01/1047809701.db2.gz SMMAUTGMHQDZCA-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM CC[C@@H](CC1CCCCC1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063308 1047810588 /nfs/dbraw/zinc/81/05/88/1047810588.db2.gz JKOGNFWHRRKQPB-ZDUSSCGKSA-N -1 3 315.417 4.204 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)n2)c([O-])c1 ZINC001159244744 1047823733 /nfs/dbraw/zinc/82/37/33/1047823733.db2.gz NTIVNDXGANOJGD-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM [O-]c1cc(F)cnc1Nc1ccc(NCc2ccccc2)cc1 ZINC001159274503 1047825576 /nfs/dbraw/zinc/82/55/76/1047825576.db2.gz LSPFIBQPNPORKF-UHFFFAOYSA-N -1 3 309.344 4.282 20 0 DIADHM Fc1cccc2oc([N-]c3cc([C@@H]4CCCCN4)no3)cc21 ZINC001159311652 1047830406 /nfs/dbraw/zinc/83/04/06/1047830406.db2.gz NHIWXCPFINVNOC-LBPRGKRZSA-N -1 3 301.321 4.118 20 0 DIADHM Cc1ccccc1CCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001159557938 1047867387 /nfs/dbraw/zinc/86/73/87/1047867387.db2.gz VQKMAZQBNHDFRU-UHFFFAOYSA-N -1 3 311.425 4.139 20 0 DIADHM Nc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cc1Cl ZINC001159596923 1047876502 /nfs/dbraw/zinc/87/65/02/1047876502.db2.gz NAMQDONAEZQTGU-UHFFFAOYSA-N -1 3 304.564 4.073 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(N4CCCC4)cc3)nc21 ZINC001174524670 1047887250 /nfs/dbraw/zinc/88/72/50/1047887250.db2.gz NSBVNWKPWHADRP-UHFFFAOYSA-N -1 3 311.410 4.346 20 0 DIADHM CCCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1C ZINC001183155028 1047895181 /nfs/dbraw/zinc/89/51/81/1047895181.db2.gz AVFAQGOIPWRYPQ-UHFFFAOYSA-N -1 3 307.340 4.380 20 0 DIADHM CC(C)O[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001159690358 1047902829 /nfs/dbraw/zinc/90/28/29/1047902829.db2.gz DKGCSOXJIJQZJB-UHFFFAOYSA-N -1 3 309.409 4.037 20 0 DIADHM CCc1ccc(C(C)(C)C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001183511301 1047940668 /nfs/dbraw/zinc/94/06/68/1047940668.db2.gz YVQBVBAVNKBBHY-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM Cc1cccc(C)c1NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001198357242 1047952170 /nfs/dbraw/zinc/95/21/70/1047952170.db2.gz HSDPLFQXUSTUHC-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM Nc1ccc(Br)c(Nc2cccc([O-])c2Cl)c1 ZINC001159926508 1047952854 /nfs/dbraw/zinc/95/28/54/1047952854.db2.gz VUHHYSUGELUKTD-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM CC(C)(CC(=O)Nc1ccc(F)c([O-])c1)c1ccccc1Cl ZINC001183880679 1047974024 /nfs/dbraw/zinc/97/40/24/1047974024.db2.gz AORQVOIXPHOAMZ-UHFFFAOYSA-N -1 3 321.779 4.491 20 0 DIADHM [O-]c1cccc(Nc2ccc3cc[nH]c3c2)c1Br ZINC001174751176 1047977243 /nfs/dbraw/zinc/97/72/43/1047977243.db2.gz CAKROJMXXQTRGI-UHFFFAOYSA-N -1 3 303.159 4.380 20 0 DIADHM CC(C)c1ccc(NC(=S)Nc2c([O-])cccc2F)cc1 ZINC001198618171 1047992120 /nfs/dbraw/zinc/99/21/20/1047992120.db2.gz GGSHXPAJUUMQSP-UHFFFAOYSA-N -1 3 304.390 4.464 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)CCCC1CCCCC1 ZINC001184225120 1048014702 /nfs/dbraw/zinc/01/47/02/1048014702.db2.gz WUNFZOJIIFXLTM-UHFFFAOYSA-N -1 3 303.402 4.284 20 0 DIADHM CC[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C1CCC(C)CC1 ZINC001160321159 1048033005 /nfs/dbraw/zinc/03/30/05/1048033005.db2.gz JJSLXAUINOSQEK-ZALBZXLWSA-N -1 3 317.429 4.386 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001199075295 1048034344 /nfs/dbraw/zinc/03/43/44/1048034344.db2.gz VFPKORZDZPEYQK-UHFFFAOYSA-N -1 3 306.312 4.009 20 0 DIADHM C[C@]12C[C@@H]3C[C@](C(=O)Nc4ccc(F)c([O-])c4)(C1)C[C@@](C)(C3)C2 ZINC001184497983 1048041135 /nfs/dbraw/zinc/04/11/35/1048041135.db2.gz HOYYQXIXJKFISQ-BWEKPBJLSA-N -1 3 317.404 4.466 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2c(C)cccc2Cl)c1[O-] ZINC001184537683 1048050488 /nfs/dbraw/zinc/05/04/88/1048050488.db2.gz RYWLCWZMUKKQCT-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c([O-])c1 ZINC001160548157 1048064985 /nfs/dbraw/zinc/06/49/85/1048064985.db2.gz OZBAFYDMJWVWKX-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)(C)c1nc([N-]c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001175060392 1048088784 /nfs/dbraw/zinc/08/87/84/1048088784.db2.gz MCWSSVJQQCEKQW-UHFFFAOYSA-N -1 3 303.259 4.269 20 0 DIADHM O=C1CCCCc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175099528 1048113536 /nfs/dbraw/zinc/11/35/36/1048113536.db2.gz LCTVTLWFRWTZIY-UHFFFAOYSA-N -1 3 303.308 4.323 20 0 DIADHM Cc1ccc(NC(=O)N[C@H](C)c2ccccc2)c(Cl)c1[O-] ZINC001185023972 1048114586 /nfs/dbraw/zinc/11/45/86/1048114586.db2.gz XMAQHAOYMIWREX-LLVKDONJSA-N -1 3 304.777 4.237 20 0 DIADHM C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC001185024062 1048114961 /nfs/dbraw/zinc/11/49/61/1048114961.db2.gz ZFCRXIHILWSKFF-SNVBAGLBSA-N -1 3 324.302 4.294 20 0 DIADHM CC1(C)CC(=O)Nc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175100178 1048115911 /nfs/dbraw/zinc/11/59/11/1048115911.db2.gz XQECBHQBAJILTQ-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1c(F)cc([O-])cc1F ZINC001175100467 1048116690 /nfs/dbraw/zinc/11/66/90/1048116690.db2.gz UZTKZLOZOZJLCN-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC001161704440 1048157348 /nfs/dbraw/zinc/15/73/48/1048157348.db2.gz HNBLIIKKZMIFSO-JCGIZDLHSA-N -1 3 323.436 4.403 20 0 DIADHM Cc1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185392295 1048170397 /nfs/dbraw/zinc/17/03/97/1048170397.db2.gz NCOLCGFNXBFWAC-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM CCCCCCNC(=S)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001200955321 1048170351 /nfs/dbraw/zinc/17/03/51/1048170351.db2.gz ZEFFHRGDWMKLLE-UHFFFAOYSA-N -1 3 320.380 4.278 20 0 DIADHM C[C@H]1CCC[C@H](OCCCCCC(=O)[N-]OC2CCCC2)C1 ZINC000774870805 1048173877 /nfs/dbraw/zinc/17/38/77/1048173877.db2.gz ZMGPKVMDWXRWMJ-RDJZCZTQSA-N -1 3 311.466 4.133 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(F)cc(Br)c2)c1F ZINC001175266287 1048246036 /nfs/dbraw/zinc/24/60/36/1048246036.db2.gz WLHFORBFGSPPEQ-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CC(=O)c1ccc(F)c(Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001175276245 1048224796 /nfs/dbraw/zinc/22/47/96/1048224796.db2.gz SYZSMQVRJWEJOQ-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM CCOc1ccc(F)c(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001175282850 1048229040 /nfs/dbraw/zinc/22/90/40/1048229040.db2.gz VVSLOGRBXNQAGO-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM CSc1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001175283777 1048230745 /nfs/dbraw/zinc/23/07/45/1048230745.db2.gz OKMKQUFGHLMKMK-UHFFFAOYSA-N -1 3 311.204 4.015 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CCCc2ccccc21 ZINC000554956798 1048238058 /nfs/dbraw/zinc/23/80/58/1048238058.db2.gz OCOZAROXLVELHR-ZDUSSCGKSA-N -1 3 301.773 4.104 20 0 DIADHM COc1ccc(-c2cc(Nc3c(F)ccc([O-])c3F)on2)cc1 ZINC001175260814 1048243675 /nfs/dbraw/zinc/24/36/75/1048243675.db2.gz BQFWLPBETVAJFF-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(-c2cccc(F)c2)n1 ZINC001175264094 1048244680 /nfs/dbraw/zinc/24/46/80/1048244680.db2.gz RUPZBOSQPLTZSI-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccsc2Br)c1F ZINC001175266740 1048245413 /nfs/dbraw/zinc/24/54/13/1048245413.db2.gz YTIGZPZSPMKCJL-UHFFFAOYSA-N -1 3 306.131 4.238 20 0 DIADHM Cc1cccc(Br)c1Nc1c(F)ccc([O-])c1F ZINC001175265803 1048246422 /nfs/dbraw/zinc/24/64/22/1048246422.db2.gz PJPJKINKDHTQBS-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC001175316480 1048260944 /nfs/dbraw/zinc/26/09/44/1048260944.db2.gz PIHWSJOWHAZVQR-UHFFFAOYSA-N -1 3 304.777 4.474 20 0 DIADHM Cc1ccc(NC(=O)N[C@H](C)C2CCCCC2)c(Cl)c1[O-] ZINC001186344532 1048292031 /nfs/dbraw/zinc/29/20/31/1048292031.db2.gz KFWONMNHUZBMTF-LLVKDONJSA-N -1 3 310.825 4.444 20 0 DIADHM Cc1ccc(NC(=O)N[C@@H](C)C2CCCCC2)c(Cl)c1[O-] ZINC001186394641 1048293424 /nfs/dbraw/zinc/29/34/24/1048293424.db2.gz KFWONMNHUZBMTF-NSHDSACASA-N -1 3 310.825 4.444 20 0 DIADHM C/C(=C/C(C)(C)C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000773494804 1048294541 /nfs/dbraw/zinc/29/45/41/1048294541.db2.gz AAPOIDFWZVGISX-HJWRWDBZSA-N -1 3 312.207 4.086 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC001186686533 1048330768 /nfs/dbraw/zinc/33/07/68/1048330768.db2.gz CESOQKSJDZDZMN-UHFFFAOYSA-N -1 3 320.820 4.136 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc(F)c(Cl)c1 ZINC001187671913 1048422608 /nfs/dbraw/zinc/42/26/08/1048422608.db2.gz CGOYNEMFMNLBBF-UHFFFAOYSA-N -1 3 321.695 4.371 20 0 DIADHM Cc1ccc(Nc2ccnc(Br)c2)c(Cl)c1[O-] ZINC001175750548 1048435014 /nfs/dbraw/zinc/43/50/14/1048435014.db2.gz WZPWHEBXNHDNGN-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Clc1ccc2oc([N-]c3cnn(-c4ccccc4)c3)nc2c1 ZINC001175790728 1048453930 /nfs/dbraw/zinc/45/39/30/1048453930.db2.gz FZARTDQFYFGICW-UHFFFAOYSA-N -1 3 310.744 4.411 20 0 DIADHM COc1ccccc1NC(=O)Nc1ccc(C)c([O-])c1Cl ZINC001202127223 1048457200 /nfs/dbraw/zinc/45/72/00/1048457200.db2.gz LYZLIPIPFGRGHH-UHFFFAOYSA-N -1 3 306.749 4.007 20 0 DIADHM CCOc1ccccc1NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001202148098 1048463479 /nfs/dbraw/zinc/46/34/79/1048463479.db2.gz TYLNOCCTBPISQN-UHFFFAOYSA-N -1 3 306.749 4.088 20 0 DIADHM CC(=O)OCc1cccc(C)c1Nc1ccc(C)c([O-])c1Cl ZINC001212771847 1048477410 /nfs/dbraw/zinc/47/74/10/1048477410.db2.gz FPWDQNPQGBNQOW-UHFFFAOYSA-N -1 3 319.788 4.469 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1cccc(F)c1 ZINC001202220826 1048487214 /nfs/dbraw/zinc/48/72/14/1048487214.db2.gz KFLJNLLSOROURS-UHFFFAOYSA-N -1 3 303.318 4.186 20 0 DIADHM Brc1ccc2nc([N-]c3cscn3)sc2c1 ZINC001175937019 1048490401 /nfs/dbraw/zinc/49/04/01/1048490401.db2.gz AGNCSFUUGSKONA-UHFFFAOYSA-N -1 3 312.217 4.259 20 0 DIADHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([O-])c1 ZINC001202297856 1048516465 /nfs/dbraw/zinc/51/64/65/1048516465.db2.gz AOWLZSGPPSVZBV-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccoc2)c(Cl)c1 ZINC001188610501 1048525822 /nfs/dbraw/zinc/52/58/22/1048525822.db2.gz OFYUQNBVCOYPTK-UHFFFAOYSA-N -1 3 313.806 4.031 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccc(Cl)cc1 ZINC001202367147 1048533664 /nfs/dbraw/zinc/53/36/64/1048533664.db2.gz VGFZBECTCSSRJT-UHFFFAOYSA-N -1 3 303.705 4.232 20 0 DIADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccc(Cl)cc1 ZINC001202366976 1048534625 /nfs/dbraw/zinc/53/46/25/1048534625.db2.gz PYOBJOKDHALHFV-UHFFFAOYSA-N -1 3 314.732 4.034 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc2c(Cl)ccnc12 ZINC001188654967 1048535847 /nfs/dbraw/zinc/53/58/47/1048535847.db2.gz KXIPZSXCTLXWIQ-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1c(NC(=O)c2c(C)cccc2[O-])snc1-c1ccccc1 ZINC001188640031 1048539894 /nfs/dbraw/zinc/53/98/94/1048539894.db2.gz BWXATSGZRBYCJE-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cn1c(CNc2ccc3c(c2)[N-]C(=S)C3)cc2ccccc21 ZINC001163951057 1048556730 /nfs/dbraw/zinc/55/67/30/1048556730.db2.gz UZTGLRDSBVMAFT-UHFFFAOYSA-N -1 3 307.422 4.086 20 0 DIADHM Cc1ccc(NC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC001202431950 1048559075 /nfs/dbraw/zinc/55/90/75/1048559075.db2.gz MBTFDMUPOFRGLX-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cccc2ccccc21 ZINC001188909223 1048566033 /nfs/dbraw/zinc/56/60/33/1048566033.db2.gz AKPFWKQULIBXBU-UHFFFAOYSA-N -1 3 321.258 4.491 20 0 DIADHM COc1cc(Nc2nc3c(cccc3[O-])s2)c(F)cc1F ZINC001176107707 1048566106 /nfs/dbraw/zinc/56/61/06/1048566106.db2.gz SDHXQOXQDMQOTJ-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cncc(C2CC2)c1 ZINC001176285080 1048618751 /nfs/dbraw/zinc/61/87/51/1048618751.db2.gz QKQOMUCWXAPDIX-UHFFFAOYSA-N -1 3 323.165 4.310 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000171425929 1048668429 /nfs/dbraw/zinc/66/84/29/1048668429.db2.gz NDIPOFDOYQDJLS-UHFFFAOYSA-N -1 3 316.407 4.377 20 0 DIADHM CCN(C)C(=O)c1cccc(Nc2ccc(C)c([O-])c2Cl)c1 ZINC001176467379 1048692989 /nfs/dbraw/zinc/69/29/89/1048692989.db2.gz YTHCHTZXTQMYEF-UHFFFAOYSA-N -1 3 318.804 4.190 20 0 DIADHM C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1F ZINC001165593162 1048699933 /nfs/dbraw/zinc/69/99/33/1048699933.db2.gz 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O=C(Nc1cc2ccccc2cc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192996048 1049159921 /nfs/dbraw/zinc/15/99/21/1049159921.db2.gz ZQTIMKPALPMRMD-QGZVFWFLSA-N -1 3 318.376 4.354 20 0 DIADHM CCc1ccc([C@@H](C)CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000857484791 1049160479 /nfs/dbraw/zinc/16/04/79/1049160479.db2.gz KWCVRMBMMPIDHU-AWEZNQCLSA-N -1 3 315.388 4.130 20 0 DIADHM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)c([O-])c1 ZINC001179527032 1049174711 /nfs/dbraw/zinc/17/47/11/1049174711.db2.gz NNOBJQMDKNIADU-KRWDZBQOSA-N -1 3 323.436 4.363 20 0 DIADHM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC000505703710 1049198812 /nfs/dbraw/zinc/19/88/12/1049198812.db2.gz UUHCJDMWBLLMLJ-LBPRGKRZSA-N -1 3 319.351 4.101 20 0 DIADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1(C)CC1 ZINC001179836924 1049212871 /nfs/dbraw/zinc/21/28/71/1049212871.db2.gz PEKVYWSYRFNXEN-ZDUSSCGKSA-N -1 3 311.381 4.103 20 0 DIADHM CC(C)c1csc(C(=O)[N-]c2cc(Cl)cc3ncoc32)n1 ZINC001193518517 1049222074 /nfs/dbraw/zinc/22/20/74/1049222074.db2.gz WRSPAMJMYHEPKK-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM C[C@H](CC(=O)[O-])NCc1c(Cl)cccc1Oc1ccccc1 ZINC000485380618 1049232433 /nfs/dbraw/zinc/23/24/33/1049232433.db2.gz IPZSVSYOVMPGMQ-GFCCVEGCSA-N -1 3 319.788 4.085 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1[O-])OC1CCCCC1 ZINC001193633023 1049235164 /nfs/dbraw/zinc/23/51/64/1049235164.db2.gz XRFZAAWBEKAPCQ-UHFFFAOYSA-N -1 3 303.280 4.292 20 0 DIADHM CCC(CC)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccs1 ZINC000905724874 1049243034 /nfs/dbraw/zinc/24/30/34/1049243034.db2.gz ODWFBPNHKOKHEP-MRXNPFEDSA-N -1 3 318.442 4.108 20 0 DIADHM C[C@H](CCCC(C)(C)C(=O)[O-])N[C@H](C)c1c(F)cccc1F ZINC000905726885 1049245644 /nfs/dbraw/zinc/24/56/44/1049245644.db2.gz JDYPXPRWEDGWAX-VXGBXAGGSA-N -1 3 313.388 4.285 20 0 DIADHM Cc1cc(F)c(CN[C@@H](C)CCCC(C)(C)C(=O)[O-])c(F)c1 ZINC000905758421 1049248552 /nfs/dbraw/zinc/24/85/52/1049248552.db2.gz ZEIGZFQLOXNJQI-LBPRGKRZSA-N -1 3 313.388 4.032 20 0 DIADHM Cc1cc(F)c(CN[C@H](C)CCCC(C)(C)C(=O)[O-])c(F)c1 ZINC000905758420 1049249521 /nfs/dbraw/zinc/24/95/21/1049249521.db2.gz ZEIGZFQLOXNJQI-GFCCVEGCSA-N -1 3 313.388 4.032 20 0 DIADHM CC(C)c1cccnc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735174 1049250028 /nfs/dbraw/zinc/25/00/28/1049250028.db2.gz LAERGSNODDNCTK-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM CCCCCOC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001193774761 1049254875 /nfs/dbraw/zinc/25/48/75/1049254875.db2.gz DMSPVQBPBYACMB-UHFFFAOYSA-N -1 3 323.389 4.086 20 0 DIADHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c([O-])c3)c[nH]2)cc1 ZINC001193778912 1049258080 /nfs/dbraw/zinc/25/80/80/1049258080.db2.gz BEVTWMNBOXYIDT-UHFFFAOYSA-N -1 3 310.328 4.087 20 0 DIADHM Cc1nn(C)c2ccc(Nc3ccc(C)c([O-])c3Cl)cc12 ZINC001204878323 1049295130 /nfs/dbraw/zinc/29/51/30/1049295130.db2.gz PZTKIXBMWYRMBV-UHFFFAOYSA-N -1 3 301.777 4.293 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cscc1C(F)(F)F ZINC000906279015 1049319550 /nfs/dbraw/zinc/31/95/50/1049319550.db2.gz RLCHFFHGFCFECO-UHFFFAOYSA-N -1 3 318.320 4.439 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCC(F)(F)C2)c([O-])c1 ZINC001180256590 1049322672 /nfs/dbraw/zinc/32/26/72/1049322672.db2.gz DMRLWOJAVPYTGB-GFCCVEGCSA-N -1 3 311.372 4.071 20 0 DIADHM COc1ccc2nc(-c3ccc([O-])cc3C(F)(F)F)ncc2c1 ZINC001205073005 1049361655 /nfs/dbraw/zinc/36/16/55/1049361655.db2.gz DLNHDSXRRZMYDV-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM CCOc1cc(CN2CCc3c2cccc3F)cc(Cl)c1[O-] ZINC001180613020 1049384895 /nfs/dbraw/zinc/38/48/95/1049384895.db2.gz MKMKKAGPEMHFOP-UHFFFAOYSA-N -1 3 321.779 4.146 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c(C)c(C)c1 ZINC001194637538 1049400902 /nfs/dbraw/zinc/40/09/02/1049400902.db2.gz ARBKAPPNVAMUBL-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(C)C ZINC001194644311 1049402983 /nfs/dbraw/zinc/40/29/83/1049402983.db2.gz QSUUKGOAFZYFGJ-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC001194642674 1049403396 /nfs/dbraw/zinc/40/33/96/1049403396.db2.gz 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/nfs/dbraw/zinc/52/70/70/1049527070.db2.gz CHKNQDUKTVFJFL-SNVBAGLBSA-N -1 3 314.223 4.166 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC12CCCCC2 ZINC001181908107 1049544324 /nfs/dbraw/zinc/54/43/24/1049544324.db2.gz KAAYKJNMIUVWPD-LLVKDONJSA-N -1 3 324.218 4.064 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC12CCCCC2 ZINC001181908108 1049544452 /nfs/dbraw/zinc/54/44/52/1049544452.db2.gz KAAYKJNMIUVWPD-NSHDSACASA-N -1 3 324.218 4.064 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)C1c2ccccc2-c2ccccc21 ZINC001181916212 1049545873 /nfs/dbraw/zinc/54/58/73/1049545873.db2.gz WYYQMVNRGPWVHT-UHFFFAOYSA-N -1 3 319.335 4.282 20 0 DIADHM COc1cc(CNc2cccc(C(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000080192247 1049579032 /nfs/dbraw/zinc/57/90/32/1049579032.db2.gz LYKQSQRERROZKW-UHFFFAOYSA-N -1 3 316.357 4.045 20 0 DIADHM [O-]c1cccc(CN2CC(Cc3ccc(Cl)cc3)C2)c1Cl ZINC001182216473 1049591543 /nfs/dbraw/zinc/59/15/43/1049591543.db2.gz QMLMABLYWIHIJX-UHFFFAOYSA-N -1 3 322.235 4.374 20 0 DIADHM C=Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001182352874 1049635336 /nfs/dbraw/zinc/63/53/36/1049635336.db2.gz DMNGYAMRCPBPBF-UHFFFAOYSA-N -1 3 318.170 4.050 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cn2)c(F)c1 ZINC001206038012 1049636408 /nfs/dbraw/zinc/63/64/08/1049636408.db2.gz PDVUGNDRGROTRQ-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cccc(C)c1C ZINC001196420529 1049655874 /nfs/dbraw/zinc/65/58/74/1049655874.db2.gz LDLCHEFGYABNEY-UHFFFAOYSA-N -1 3 314.410 4.021 20 0 DIADHM CCOc1ccc(C)c(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001197141240 1049722501 /nfs/dbraw/zinc/72/25/01/1049722501.db2.gz MWMMTSXJMZKFCH-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CC(=O)c1cc(Cl)nc(Cl)c1Nc1cc([O-])cc(F)c1 ZINC001206766533 1049795052 /nfs/dbraw/zinc/79/50/52/1049795052.db2.gz JLWBEHNSPZLMGV-UHFFFAOYSA-N -1 3 315.131 4.179 20 0 DIADHM CC(C)O[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000490647201 1049849349 /nfs/dbraw/zinc/84/93/49/1049849349.db2.gz IHRWLDFRICMHEO-INIZCTEOSA-N -1 3 319.788 4.150 20 0 DIADHM Cc1ccc(C)c(SCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000490697500 1049856903 /nfs/dbraw/zinc/85/69/03/1049856903.db2.gz SKOIRDOKGOXVSS-UHFFFAOYSA-N -1 3 321.829 4.393 20 0 DIADHM Cc1csc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)n1 ZINC000588057006 1049959405 /nfs/dbraw/zinc/95/94/05/1049959405.db2.gz XQDPLBDUUDMBOO-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001208291598 1049989577 /nfs/dbraw/zinc/98/95/77/1049989577.db2.gz POZNHWBWGKSHAS-NSHDSACASA-N -1 3 323.911 4.205 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000572206091 1049998518 /nfs/dbraw/zinc/99/85/18/1049998518.db2.gz FJEFFBRBWGLKRX-DOTOQJQBSA-N -1 3 323.436 4.281 20 0 DIADHM CO[C@H](C)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001209947507 1050109804 /nfs/dbraw/zinc/10/98/04/1050109804.db2.gz WQXYGYKSYCIAKK-SNVBAGLBSA-N -1 3 300.383 4.453 20 0 DIADHM CC(C)CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001209960106 1050112571 /nfs/dbraw/zinc/11/25/71/1050112571.db2.gz 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/nfs/dbraw/zinc/16/33/28/1050163328.db2.gz HHPHHRFXFFBWFX-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM Cc1ccccc1-c1cc(Nc2cccc(Cl)c2[O-])n(C)n1 ZINC001210218622 1050163457 /nfs/dbraw/zinc/16/34/57/1050163457.db2.gz AQHQUAFCIDHTRK-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM Cc1ccc(Br)nc1Nc1cccc(Cl)c1[O-] ZINC001210221167 1050163896 /nfs/dbraw/zinc/16/38/96/1050163896.db2.gz VOFLRFQXLMXMNG-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1cc(=O)c2ccc(Nc3cccc(Cl)c3[O-])cc2o1 ZINC001210223301 1050165553 /nfs/dbraw/zinc/16/55/53/1050165553.db2.gz MWACBHYOWZJUFX-UHFFFAOYSA-N -1 3 301.729 4.204 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc2ncnc(Cl)c2c1 ZINC001210222574 1050166131 /nfs/dbraw/zinc/16/61/31/1050166131.db2.gz OWVNPEZHPTVYDP-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001136909644 1050233214 /nfs/dbraw/zinc/23/32/14/1050233214.db2.gz XDKJKFNGGWMPCA-DOMZBBRYSA-N -1 3 307.459 4.155 20 0 DIADHM CC[C@]1(C)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000573734704 1050248452 /nfs/dbraw/zinc/24/84/52/1050248452.db2.gz YZYPIEXYJKKFRW-UKRRQHHQSA-N -1 3 316.228 4.241 20 0 DIADHM CC[C@@]1(C)CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000573734703 1050249376 /nfs/dbraw/zinc/24/93/76/1050249376.db2.gz YZYPIEXYJKKFRW-HIFRSBDPSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)c([O-])c1 ZINC000771510662 1050261210 /nfs/dbraw/zinc/26/12/10/1050261210.db2.gz XVVWBOROYUGRKD-UHFFFAOYSA-N -1 3 302.280 4.355 20 0 DIADHM C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])c1ccc[nH]1 ZINC000760962137 1050287250 /nfs/dbraw/zinc/28/72/50/1050287250.db2.gz UGMIAFGBZSPIDN-ZDUSSCGKSA-N -1 3 322.364 4.004 20 0 DIADHM NC(=O)c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1[O-] ZINC001210640584 1050325846 /nfs/dbraw/zinc/32/58/46/1050325846.db2.gz OOGLKMQYYIAYTI-UHFFFAOYSA-N -1 3 318.332 4.134 20 0 DIADHM O=C(Nc1cncc([O-])c1)[C@H](c1ccccc1)C1CCCCC1 ZINC001143625203 1050326058 /nfs/dbraw/zinc/32/60/58/1050326058.db2.gz JODMLQRQERDBOG-GOSISDBHSA-N -1 3 310.397 4.090 20 0 DIADHM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000772161663 1050333398 /nfs/dbraw/zinc/33/33/98/1050333398.db2.gz VXMIDVSIGUSXGX-CMDGGOBGSA-N -1 3 312.207 4.086 20 0 DIADHM Cc1ccc([N-]c2nnc(-c3ccco3)o2)cc1C(F)(F)F ZINC001210684835 1050336992 /nfs/dbraw/zinc/33/69/92/1050336992.db2.gz VLOCLIUTLJPBTG-UHFFFAOYSA-N -1 3 309.247 4.400 20 0 DIADHM CC(C)(C)c1cc(Nc2cccc([O-])c2Cl)c(C(N)=O)s1 ZINC001210852001 1050389952 /nfs/dbraw/zinc/38/99/52/1050389952.db2.gz QXFRAKXYSFAKAL-UHFFFAOYSA-N -1 3 324.833 4.247 20 0 DIADHM Cc1ncc(Br)cc1Nc1cccc([O-])c1Cl ZINC001210851865 1050390534 /nfs/dbraw/zinc/39/05/34/1050390534.db2.gz OSTPOKDNMVFCQX-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc(Nc2nc3ccccc3nc2Cl)c1Cl ZINC001210845590 1050391020 /nfs/dbraw/zinc/39/10/20/1050391020.db2.gz ZLJJSOIMCYFPMQ-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM Cc1nc(Nc2cccc([O-])c2Cl)ccc1Br ZINC001210844835 1050391113 /nfs/dbraw/zinc/39/11/13/1050391113.db2.gz MRCPKVBENIUAFA-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1c(Br)cncc1Nc1cccc([O-])c1Cl ZINC001210852236 1050391146 /nfs/dbraw/zinc/39/11/46/1050391146.db2.gz XZHZFHPIZRPZOF-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1ccc(Nc2cccc([O-])c2Cl)c(Br)n1 ZINC001210844232 1050391237 /nfs/dbraw/zinc/39/12/37/1050391237.db2.gz AVXDUWNPKPNPGJ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc(Nc2c(O)cccc2Br)c1Cl ZINC001210854473 1050393305 /nfs/dbraw/zinc/39/33/05/1050393305.db2.gz YGRLZBASHJQNQN-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CCOC(=O)c1ccc(NC)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854324 1050393595 /nfs/dbraw/zinc/39/35/95/1050393595.db2.gz PDQSDJLEZIGFHT-UHFFFAOYSA-N -1 3 320.776 4.008 20 0 DIADHM [O-]c1cccc(Nc2cnc3cc(C4CCC4)nn3c2)c1Cl ZINC001210855142 1050393701 /nfs/dbraw/zinc/39/37/01/1050393701.db2.gz JGYUJFBRAFUKRV-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)cc2cccnc21 ZINC001210859916 1050395565 /nfs/dbraw/zinc/39/55/65/1050395565.db2.gz MBVACHUQQZJAKH-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1ccc(Nc2ccccc2N2CCCCC2)c(F)c1F ZINC001210963141 1050434990 /nfs/dbraw/zinc/43/49/90/1050434990.db2.gz UYSRVWCTJXDHHT-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM FC(F)(F)c1ccnc([N-]c2nccs2)c1Br ZINC001210990215 1050439366 /nfs/dbraw/zinc/43/93/66/1050439366.db2.gz NOMKYCHKBJYWKA-UHFFFAOYSA-N -1 3 324.125 4.063 20 0 DIADHM Cc1nnc([N-]c2ccc3ccc(-c4ccccc4)nc3c2)o1 ZINC001211099428 1050474675 /nfs/dbraw/zinc/47/46/75/1050474675.db2.gz ALICJOFSPJXRLC-UHFFFAOYSA-N -1 3 302.337 4.337 20 0 DIADHM COc1cc(C)ccc1Nc1cccc([O-])c1Br ZINC001211119974 1050484553 /nfs/dbraw/zinc/48/45/53/1050484553.db2.gz VGYKEHDLHAFTGL-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM O=c1nc(-c2cccc(Cl)n2)[n-]c2sc3ccccc3c21 ZINC000736724935 1050488632 /nfs/dbraw/zinc/48/86/32/1050488632.db2.gz FUYJGEOPESAVOW-UHFFFAOYSA-N -1 3 313.769 4.266 20 0 DIADHM COC(=O)c1ccc(Nc2ccc(C)c([O-])c2Cl)cc1C ZINC001211172395 1050505495 /nfs/dbraw/zinc/50/54/95/1050505495.db2.gz LLXZDJVFVDEKMN-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000786820684 1050522248 /nfs/dbraw/zinc/52/22/48/1050522248.db2.gz VIEBVBRTKFMQRA-LBPRGKRZSA-N -1 3 321.417 4.101 20 0 DIADHM [O-]c1cccc(Nc2cc3ccccc3[nH]2)c1Br ZINC001211310664 1050544320 /nfs/dbraw/zinc/54/43/20/1050544320.db2.gz WNRSGDVWIHDYHZ-UHFFFAOYSA-N -1 3 303.159 4.380 20 0 DIADHM CC(C)C[C@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000787296434 1050583564 /nfs/dbraw/zinc/58/35/64/1050583564.db2.gz LSMVJANGGJSCFM-NSHDSACASA-N -1 3 309.278 4.174 20 0 DIADHM O=c1cc(Nc2ccc(F)c(Cl)c2F)[n-]n1-c1ccccc1 ZINC001213203564 1050609967 /nfs/dbraw/zinc/60/99/67/1050609967.db2.gz VDBUFHJBSHLRIE-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001144567452 1050618849 /nfs/dbraw/zinc/61/88/49/1050618849.db2.gz LCQJKJKQELVLLM-AWEZNQCLSA-N -1 3 321.342 4.017 20 0 DIADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787842580 1050626181 /nfs/dbraw/zinc/62/61/81/1050626181.db2.gz 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[O-]c1cc(F)c(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1F ZINC001144658482 1050649632 /nfs/dbraw/zinc/64/96/32/1050649632.db2.gz YDPZQYIVKFXQBU-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM O=C([O-])c1ccsc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC001144677788 1050651018 /nfs/dbraw/zinc/65/10/18/1050651018.db2.gz CSLVGZCSEUHZPI-AWEZNQCLSA-N -1 3 321.829 4.437 20 0 DIADHM CCN(Cc1sccc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001144677094 1050651223 /nfs/dbraw/zinc/65/12/23/1050651223.db2.gz AXBHAOMSDZEFBQ-UHFFFAOYSA-N -1 3 309.818 4.122 20 0 DIADHM O=C([O-])c1ccsc1CN1CCCC[C@H]1c1ccccc1F ZINC001144677954 1050651288 /nfs/dbraw/zinc/65/12/88/1050651288.db2.gz JAKRTIMLNIWQSJ-HNNXBMFYSA-N -1 3 319.401 4.313 20 0 DIADHM O=C([O-])c1ccsc1CN1CCCC[C@@H]1c1ccccc1F ZINC001144677955 1050651456 /nfs/dbraw/zinc/65/14/56/1050651456.db2.gz JAKRTIMLNIWQSJ-OAHLLOKOSA-N -1 3 319.401 4.313 20 0 DIADHM O=c1cc(Nc2c(F)cccc2C2CC2)[n-]n1-c1ccccc1 ZINC001213449098 1050658873 /nfs/dbraw/zinc/65/88/73/1050658873.db2.gz CTJBIDXAIPVOCS-UHFFFAOYSA-N -1 3 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316.163 4.495 20 0 DIADHM O=c1cc(C(F)(F)F)[nH]cc1Nc1c(Cl)ccc([O-])c1F ZINC001214556414 1050941471 /nfs/dbraw/zinc/94/14/71/1050941471.db2.gz RPTVLQQRNDPJQI-UHFFFAOYSA-N -1 3 322.645 4.048 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnccc2Br)c1F ZINC001214556412 1050941687 /nfs/dbraw/zinc/94/16/87/1050941687.db2.gz ROHYVJXRCIJKMG-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnc3cccc(O)c3c2)c1F ZINC001214558458 1050941788 /nfs/dbraw/zinc/94/17/88/1050941788.db2.gz WJXHWULBIMSGHV-UHFFFAOYSA-N -1 3 304.708 4.182 20 0 DIADHM COC(=O)c1c(C)scc1Nc1c(Cl)ccc([O-])c1F ZINC001214557574 1050941984 /nfs/dbraw/zinc/94/19/84/1050941984.db2.gz BZFLIDCLBXAWPK-UHFFFAOYSA-N -1 3 315.753 4.085 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(C(F)(F)F)cnc2F)c1F ZINC001214559651 1050942248 /nfs/dbraw/zinc/94/22/48/1050942248.db2.gz RVHXRSIZKBUAAE-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM Nc1cc(Cl)nc(Cl)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556573 1050942961 /nfs/dbraw/zinc/94/29/61/1050942961.db2.gz 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/nfs/dbraw/zinc/15/96/53/1051159653.db2.gz HUTLHKKVOCFOIN-UHFFFAOYSA-N -1 3 323.135 4.122 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nc(-c3cncc4ccccc43)no2)c1 ZINC001215345704 1051171852 /nfs/dbraw/zinc/17/18/52/1051171852.db2.gz FAWUCTPWNSBGRA-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM CCc1cccc(-c2noc(-c3cc([O-])ccc3Cl)n2)c1 ZINC001215345658 1051172799 /nfs/dbraw/zinc/17/27/99/1051172799.db2.gz CATSZWKXKDMYPV-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM Cc1nc(-c2ccc(Nc3c(Cl)ccc([O-])c3F)cc2)no1 ZINC001214563813 1051176936 /nfs/dbraw/zinc/17/69/36/1051176936.db2.gz UOOPXCPOHWUZBV-UHFFFAOYSA-N -1 3 319.723 4.287 20 0 DIADHM CC1(C)CC(Nc2[n-]c(=O)c(Cl)cc2Cl)CC(C)(C)O1 ZINC001170358664 1051189904 /nfs/dbraw/zinc/18/99/04/1051189904.db2.gz JYWRSFDWBAIHIZ-UHFFFAOYSA-N -1 3 319.232 4.242 20 0 DIADHM CCC(CC)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000744768364 1051200387 /nfs/dbraw/zinc/20/03/87/1051200387.db2.gz FLCTXXNNIMIWKQ-VIFPVBQESA-N -1 3 322.430 4.054 20 0 DIADHM 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ZINC001169731395 1051687900 /nfs/dbraw/zinc/68/79/00/1051687900.db2.gz PZUCTLYMNZLFRV-UHFFFAOYSA-N -1 3 317.751 4.048 20 0 DIADHM CCc1ccc2c(cc(Cl)nc2NCc2ncccc2[O-])c1 ZINC001169733011 1051688511 /nfs/dbraw/zinc/68/85/11/1051688511.db2.gz LIGUOYBCPIYQCW-UHFFFAOYSA-N -1 3 313.788 4.163 20 0 DIADHM COC(=O)c1ccc(C)c(Nc2ccc(Cl)c([O-])c2)c1C ZINC001212594441 1051690487 /nfs/dbraw/zinc/69/04/87/1051690487.db2.gz ZKXITNMOKFQFGG-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM [O-]c1cccnc1CNc1cc(F)cc(F)c1-c1ccccc1 ZINC001169736963 1051690831 /nfs/dbraw/zinc/69/08/31/1051690831.db2.gz MQMPTRLKRDIMRU-UHFFFAOYSA-N -1 3 312.319 4.345 20 0 DIADHM [O-]c1cccnc1CNc1ccc(OCc2ccccc2F)cc1 ZINC001169732778 1051691131 /nfs/dbraw/zinc/69/11/31/1051691131.db2.gz KXEZQBKBZLVODI-UHFFFAOYSA-N -1 3 324.355 4.117 20 0 DIADHM CC1(C)COC(c2ccccc2Nc2ccc(Cl)c([O-])c2)=N1 ZINC001212595100 1051703915 /nfs/dbraw/zinc/70/39/15/1051703915.db2.gz HLYUTTHDAOKPBD-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM Cc1cc(F)cc(Cl)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001216402480 1051747522 /nfs/dbraw/zinc/74/75/22/1051747522.db2.gz HFXKAPIVWYFXFL-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(=O)c1cccc(Nc2ccc([O-])c(Br)c2)c1F ZINC001216500490 1051791029 /nfs/dbraw/zinc/79/10/29/1051791029.db2.gz SOZIHXAWRWYCKY-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM Cc1cc(F)c(-c2noc(-c3c(C)cccc3[O-])n2)cc1F ZINC001216537314 1051811660 /nfs/dbraw/zinc/81/16/60/1051811660.db2.gz ZAITUMBCZTWOAN-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2nc3ccccc3cc2C)no1 ZINC001216540248 1051811701 /nfs/dbraw/zinc/81/17/01/1051811701.db2.gz IBOHCEFYWULLCE-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM [O-]c1cc(Nc2cncn2Cc2ccccc2)c(F)cc1Cl ZINC001216553631 1051816843 /nfs/dbraw/zinc/81/68/43/1051816843.db2.gz JEWKMBIVWVYXGE-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM CCCOc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001216588102 1051827794 /nfs/dbraw/zinc/82/77/94/1051827794.db2.gz NRXWDQHKEDEHPL-UHFFFAOYSA-N -1 3 323.190 4.082 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1052008333 /nfs/dbraw/zinc/00/83/33/1052008333.db2.gz WOCGJQJVKLXSEX-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Fc1cccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)c1 ZINC001217257510 1052008342 /nfs/dbraw/zinc/00/83/42/1052008342.db2.gz WOCGJQJVKLXSEX-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1noc2c1CCCC2 ZINC000056258833 1052039025 /nfs/dbraw/zinc/03/90/25/1052039025.db2.gz XAOFUZZORWTUKO-UHFFFAOYSA-N -1 3 324.352 4.120 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nc(-c2ccccc2F)no1 ZINC001217412122 1052047616 /nfs/dbraw/zinc/04/76/16/1052047616.db2.gz KURDXIOVROPDJE-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nc(-c2cccc(F)c2)no1 ZINC001217411448 1052048377 /nfs/dbraw/zinc/04/83/77/1052048377.db2.gz AUBXVKSQZDVULF-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM [O-]c1cnc2ccccc2c1-c1nc(-c2ccccc2Cl)no1 ZINC001217441888 1052057528 /nfs/dbraw/zinc/05/75/28/1052057528.db2.gz QADZWUFULZIITO-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccc3Cl)no2)c2cccnc12 ZINC001217493444 1052074577 /nfs/dbraw/zinc/07/45/77/1052074577.db2.gz UEUOAVKJNFEIMP-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1cc(-c2noc(-c3ccc([O-])c4ncccc34)n2)ccc1F ZINC001217493417 1052074674 /nfs/dbraw/zinc/07/46/74/1052074674.db2.gz SDDFXPCLASSJIA-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM C/C=C/C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000770078936 1052148805 /nfs/dbraw/zinc/14/88/05/1052148805.db2.gz HXRQXJOCCYDYBS-GORDUTHDSA-N -1 3 310.378 4.184 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1ccc2occc2c1 ZINC001174416309 1052168320 /nfs/dbraw/zinc/16/83/20/1052168320.db2.gz GTGXQYQLFVZWOC-UHFFFAOYSA-N -1 3 305.131 4.040 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(Br)c2C)c1[O-] ZINC000227868815 1052187017 /nfs/dbraw/zinc/18/70/17/1052187017.db2.gz JLNYPXNIWSVNCV-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232493431 1052313838 /nfs/dbraw/zinc/31/38/38/1052313838.db2.gz YUIDVVGSLKBGPP-GFCCVEGCSA-N -1 3 309.837 4.334 20 0 DIADHM C[C@H]1C[C@@H](CC(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000303749448 1052341447 /nfs/dbraw/zinc/34/14/47/1052341447.db2.gz BJNIXNGPFAZMDH-JSGCOSHPSA-N -1 3 307.409 4.000 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)-c1ccccc1C2 ZINC000762316867 1052365881 /nfs/dbraw/zinc/36/58/81/1052365881.db2.gz HCDSUIHZERKDJB-UHFFFAOYSA-N -1 3 319.335 4.355 20 0 DIADHM COc1ccc([O-])c(-c2nc(C3CCCCCCC3)no2)c1 ZINC000316422820 1052367700 /nfs/dbraw/zinc/36/77/00/1052367700.db2.gz YEYFNZJCIQXSCT-UHFFFAOYSA-N -1 3 302.374 4.279 20 0 DIADHM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000915385059 1052405970 /nfs/dbraw/zinc/40/59/70/1052405970.db2.gz ROZRFUSFFAYSAQ-BXKDBHETSA-N -1 3 320.216 4.074 20 0 DIADHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000236558622 1052426052 /nfs/dbraw/zinc/42/60/52/1052426052.db2.gz HMGYUNCUVMFPBG-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM O=C(Nc1ccc(Cl)cc1F)c1cc([O-])ccc1Cl ZINC000236558071 1052426179 /nfs/dbraw/zinc/42/61/79/1052426179.db2.gz GJTNUYKIPSXRRN-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000010860301 1052432121 /nfs/dbraw/zinc/43/21/21/1052432121.db2.gz DEGXHXIOLZJQNN-UHFFFAOYSA-N -1 3 305.805 4.201 20 0 DIADHM Cc1nc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc2[nH]ccc21 ZINC001222597120 1052515208 /nfs/dbraw/zinc/51/52/08/1052515208.db2.gz JIRKARUJPUKNSW-UHFFFAOYSA-N -1 3 320.270 4.255 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1(c2ccccc2)CC1 ZINC000125269464 1052646659 /nfs/dbraw/zinc/64/66/59/1052646659.db2.gz MNOJLAGABUASEJ-UHFFFAOYSA-N -1 3 321.298 4.081 20 0 DIADHM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000350361327 1052654337 /nfs/dbraw/zinc/65/43/37/1052654337.db2.gz CJQFRAOHVGDZBA-CYBMUJFWSA-N -1 3 321.376 4.084 20 0 DIADHM Cc1ccc(CCCCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128188032 1052712168 /nfs/dbraw/zinc/71/21/68/1052712168.db2.gz JTKFBLZHXLBBBM-UHFFFAOYSA-N -1 3 301.361 4.191 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(-c2ccccc2F)o1 ZINC000128475853 1052728741 /nfs/dbraw/zinc/72/87/41/1052728741.db2.gz WLNOENSQDMBXNH-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1cccc([O-])c1F ZINC000128588024 1052736875 /nfs/dbraw/zinc/73/68/75/1052736875.db2.gz PLPSHQHOBOZJLY-UHFFFAOYSA-N -1 3 323.751 4.224 20 0 DIADHM CC[C@H](C)[C@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128650813 1052740448 /nfs/dbraw/zinc/74/04/48/1052740448.db2.gz RFNVPTDKTJMTRH-LRDDRELGSA-N -1 3 301.361 4.300 20 0 DIADHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000128700893 1052745202 /nfs/dbraw/zinc/74/52/02/1052745202.db2.gz GRAWYWRFBNPQTL-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128800033 1052753128 /nfs/dbraw/zinc/75/31/28/1052753128.db2.gz BOKAXSPCPBUGIV-LBPRGKRZSA-N -1 3 317.360 4.061 20 0 DIADHM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc([O-])c2F)c1 ZINC000128800241 1052753646 /nfs/dbraw/zinc/75/36/46/1052753646.db2.gz BOKAXSPCPBUGIV-GFCCVEGCSA-N -1 3 317.360 4.061 20 0 DIADHM COc1ccc([C@H](Oc2ccc3c([O-])coc3c2)C(C)C)cc1 ZINC001225341647 1052776143 /nfs/dbraw/zinc/77/61/43/1052776143.db2.gz CJLLDLNTWQAIKO-LJQANCHMSA-N -1 3 312.365 4.046 20 0 DIADHM O=C(CCCCCc1cccs1)Nc1cccc([O-])c1F ZINC000129563584 1052796423 /nfs/dbraw/zinc/79/64/23/1052796423.db2.gz DVXGYEDPXFEUQP-UHFFFAOYSA-N -1 3 307.390 4.334 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1c(Cl)cccc1Cl ZINC000129592289 1052797130 /nfs/dbraw/zinc/79/71/30/1052797130.db2.gz HGJWCIVUSQLFKU-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM O=C1CCc2c1cccc2OC(=C([O-])c1ccco1)c1ccco1 ZINC001225619024 1052809246 /nfs/dbraw/zinc/80/92/46/1052809246.db2.gz XIKAMLXSFTYOGL-IBGZPJMESA-N -1 3 322.316 4.005 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000129743055 1052810383 /nfs/dbraw/zinc/81/03/83/1052810383.db2.gz YUTPYQIDWQAFBB-CVEARBPZSA-N -1 3 321.351 4.427 20 0 DIADHM CC(=O)c1cccc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001225812014 1052833920 /nfs/dbraw/zinc/83/39/20/1052833920.db2.gz KHJHJGDAYCSSCC-SFHVURJKSA-N -1 3 310.305 4.078 20 0 DIADHM CC[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1 ZINC001225853291 1052839061 /nfs/dbraw/zinc/83/90/61/1052839061.db2.gz OSRPEQIIWPVJRU-SNVBAGLBSA-N -1 3 314.332 4.314 20 0 DIADHM COCc1cc(O[C@@H](C)c2cc(Cl)ccc2C)[n-]c(=S)n1 ZINC001225936239 1052850039 /nfs/dbraw/zinc/85/00/39/1052850039.db2.gz XWFFSNQHKYUBBQ-JTQLQIEISA-N -1 3 324.833 4.014 20 0 DIADHM CCCCC(=O)[C@H](CCCC)Oc1cc(C(C)=O)ccc1[O-] ZINC001225993963 1052856870 /nfs/dbraw/zinc/85/68/70/1052856870.db2.gz KFHXJGOABQIQQD-KRWDZBQOSA-N -1 3 306.402 4.292 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001225996920 1052857793 /nfs/dbraw/zinc/85/77/93/1052857793.db2.gz ZJPDZHUOCGHRQB-INIZCTEOSA-N -1 3 302.757 4.315 20 0 DIADHM C[C@H](CCc1ccccc1)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226120918 1052870741 /nfs/dbraw/zinc/87/07/41/1052870741.db2.gz WNUXDUSNIINMSS-GFCCVEGCSA-N -1 3 300.427 4.043 20 0 DIADHM CC[C@H]1CCc2c(sc3[n-]c(-c4ccc(C)o4)nc(=O)c23)C1 ZINC000514541357 1052879182 /nfs/dbraw/zinc/87/91/82/1052879182.db2.gz MSXMZIQJXQOWBY-JTQLQIEISA-N -1 3 314.410 4.480 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2cccc(Cl)c2)c1O ZINC001226483560 1052901021 /nfs/dbraw/zinc/90/10/21/1052901021.db2.gz WFHMNBMOPHKNLU-JTQLQIEISA-N -1 3 306.745 4.094 20 0 DIADHM CC[C@H](C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226488065 1052902036 /nfs/dbraw/zinc/90/20/36/1052902036.db2.gz BNFRODMQCIWVEV-LBPRGKRZSA-N -1 3 310.349 4.343 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000556974820 1052905891 /nfs/dbraw/zinc/90/58/91/1052905891.db2.gz LENQPIDDGPXWDK-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC=CCCC3)cc12 ZINC001226531908 1052907463 /nfs/dbraw/zinc/90/74/63/1052907463.db2.gz JMVVHUWHPXDPHT-CYBMUJFWSA-N -1 3 300.354 4.075 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@H](C)[C@@H](C)C3)cc12 ZINC001226531719 1052907699 /nfs/dbraw/zinc/90/76/99/1052907699.db2.gz FVZJIIAQSMFNRU-GMXVVIOVSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cccc2c1CC[C@H]2Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533731 1052908403 /nfs/dbraw/zinc/90/84/03/1052908403.db2.gz HOMIGXQQMWTUGU-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3ccc(F)cc3)cc12 ZINC001226536726 1052908974 /nfs/dbraw/zinc/90/89/74/1052908974.db2.gz ZJHIJRGWMVOHHQ-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2o1 ZINC001226594800 1052914394 /nfs/dbraw/zinc/91/43/94/1052914394.db2.gz BTFCRVWCGBDRHL-BPLDGKMQSA-N -1 3 314.381 4.236 20 0 DIADHM CC[C@H](Oc1c([O-])ccc2ccc(=O)oc21)C1CCCCC1 ZINC001226600224 1052915200 /nfs/dbraw/zinc/91/52/00/1052915200.db2.gz VPAHEBWVCXHAGN-HNNXBMFYSA-N -1 3 302.370 4.236 20 0 DIADHM COc1ccc(OC)c([C@@H](C)Oc2cccc([O-])c2Cl)c1 ZINC001226709565 1052923456 /nfs/dbraw/zinc/92/34/56/1052923456.db2.gz OQMUMZJLFYAGAN-SNVBAGLBSA-N -1 3 308.761 4.203 20 0 DIADHM [O-]c1cccc(OC2CCN(c3ccccc3)CC2)c1Cl ZINC001226708355 1052923635 /nfs/dbraw/zinc/92/36/35/1052923635.db2.gz DIMXGCXSQICCCJ-UHFFFAOYSA-N -1 3 303.789 4.093 20 0 DIADHM COc1ccc([C@@H](C)OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000920171045 1052926048 /nfs/dbraw/zinc/92/60/48/1052926048.db2.gz UURCPSWZTHMQEG-SNVBAGLBSA-N -1 3 301.367 4.156 20 0 DIADHM Cc1ccc([C@@H](Oc2cc(C)nc(=S)[n-]2)C(F)(F)F)cc1 ZINC001226797479 1052932381 /nfs/dbraw/zinc/93/23/81/1052932381.db2.gz BWAMTPMILPVIPI-GFCCVEGCSA-N -1 3 314.332 4.065 20 0 DIADHM Cc1cc(O[C@H](C)c2ccc(C(F)(F)F)cc2)[n-]c(=S)n1 ZINC001226800380 1052932551 /nfs/dbraw/zinc/93/25/51/1052932551.db2.gz GTVSFCZMFMUOBR-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM Cc1ccc([C@H](Oc2ccnc(=S)[n-]2)c2ccccc2)cc1 ZINC001226940811 1052946875 /nfs/dbraw/zinc/94/68/75/1052946875.db2.gz VVXJKUGILVOJOJ-QGZVFWFLSA-N -1 3 308.406 4.242 20 0 DIADHM Cc1cccc(SCc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000921265023 1052967264 /nfs/dbraw/zinc/96/72/64/1052967264.db2.gz JVZLWDCGRSYXTE-UHFFFAOYSA-N -1 3 312.390 4.408 20 0 DIADHM O=[S@](Cc1ccccc1Oc1ccccc1)c1ccc([O-])cc1 ZINC000609364883 1052974758 /nfs/dbraw/zinc/97/47/58/1052974758.db2.gz DYQZXCPPSXOCHY-HSZRJFAPSA-N -1 3 324.401 4.492 20 0 DIADHM CC1CCC(Oc2c([O-])cc(Br)cc2F)CC1 ZINC001227588720 1053001995 /nfs/dbraw/zinc/00/19/95/1053001995.db2.gz URTCIJZVXYJWBF-UHFFFAOYSA-N -1 3 303.171 4.251 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccc(F)cc1 ZINC001227586698 1053002526 /nfs/dbraw/zinc/00/25/26/1053002526.db2.gz NCYCRPXFZRHNLW-QMMMGPOBSA-N -1 3 301.239 4.085 20 0 DIADHM C[C@H]1CCC[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227586987 1053002540 /nfs/dbraw/zinc/00/25/40/1053002540.db2.gz DNWMMLSQBDSCKS-WCBMZHEXSA-N -1 3 303.171 4.251 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)COC(C)(C)C ZINC001228134359 1053046133 /nfs/dbraw/zinc/04/61/33/1053046133.db2.gz NYDAGKCLZZBDMR-LBPRGKRZSA-N -1 3 308.418 4.130 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)c1ccc(C)nc1 ZINC001228135082 1053046355 /nfs/dbraw/zinc/04/63/55/1053046355.db2.gz UTOCDRKSZOCPEY-AWEZNQCLSA-N -1 3 313.397 4.391 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCC(=O)C1(C)C ZINC001228130477 1053046374 /nfs/dbraw/zinc/04/63/74/1053046374.db2.gz BNTAXFIZTGPMIG-KRWDZBQOSA-N -1 3 318.413 4.074 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)c1nccs1 ZINC001228135154 1053046518 /nfs/dbraw/zinc/04/65/18/1053046518.db2.gz WQNYHDLSLUPTSG-NSHDSACASA-N -1 3 305.399 4.144 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCc2cccnc21 ZINC001228135379 1053046536 /nfs/dbraw/zinc/04/65/36/1053046536.db2.gz ZTUMXWBTYYLQHY-KRWDZBQOSA-N -1 3 311.381 4.009 20 0 DIADHM CCCCOC[C@H](C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135130 1053046623 /nfs/dbraw/zinc/04/66/23/1053046623.db2.gz WEUKWXCDGUBNKL-ZDUSSCGKSA-N -1 3 308.418 4.131 20 0 DIADHM COC1=CC[C@@H](Oc2cc(C(=O)c3ccccc3)ccc2[O-])CC1 ZINC001228153947 1053047957 /nfs/dbraw/zinc/04/79/57/1053047957.db2.gz IDJNPLKPDZUROC-QGZVFWFLSA-N -1 3 324.376 4.085 20 0 DIADHM COC1=CC[C@H](Oc2cc(C(=O)c3ccccc3)ccc2[O-])CC1 ZINC001228153946 1053048123 /nfs/dbraw/zinc/04/81/23/1053048123.db2.gz IDJNPLKPDZUROC-KRWDZBQOSA-N -1 3 324.376 4.085 20 0 DIADHM Cc1cc2sc([N-]C(=O)c3ocnc3C(F)F)nc2c(C)c1 ZINC001350449516 1053062893 /nfs/dbraw/zinc/06/28/93/1053062893.db2.gz ZKWXSVSIVNITHM-UHFFFAOYSA-N -1 3 323.324 4.091 20 0 DIADHM Fc1ccccc1[N-]c1nnc(S[C@@H]2CCSC2)s1 ZINC000849857038 1053111103 /nfs/dbraw/zinc/11/11/03/1053111103.db2.gz GCIFGIGTRSIYRN-MRVPVSSYSA-N -1 3 313.448 4.018 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1noc2c1CCCC2 ZINC000617252162 1053115577 /nfs/dbraw/zinc/11/55/77/1053115577.db2.gz KZMLSKMCHVONAF-UHFFFAOYSA-N -1 3 322.817 4.181 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000617252454 1053117687 /nfs/dbraw/zinc/11/76/87/1053117687.db2.gz WJZHLIYCUDZLAP-UHFFFAOYSA-N -1 3 308.790 4.180 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000617275040 1053118831 /nfs/dbraw/zinc/11/88/31/1053118831.db2.gz RCPHRAJVXXHVDO-UHFFFAOYSA-N -1 3 308.378 4.220 20 0 DIADHM CN(Cc1cc(F)c(F)c(F)c1)Cc1cccc(Cl)c1[O-] ZINC000181011428 1053121368 /nfs/dbraw/zinc/12/13/68/1053121368.db2.gz PJWHFNSZBXEFOE-UHFFFAOYSA-N -1 3 315.722 4.095 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001228622028 1053147972 /nfs/dbraw/zinc/14/79/72/1053147972.db2.gz GUTBXYCWEDSHQQ-FIXISWKDSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001228622960 1053148115 /nfs/dbraw/zinc/14/81/15/1053148115.db2.gz NLRSMZDUMMQPLH-CDMJZVDBSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCC(C)(C)C1 ZINC001228623339 1053148460 /nfs/dbraw/zinc/14/84/60/1053148460.db2.gz RLRZPXPKZMDVNN-LBPRGKRZSA-N -1 3 302.370 4.155 20 0 DIADHM CC[C@H]1CCCC[C@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628035 1053149818 /nfs/dbraw/zinc/14/98/18/1053149818.db2.gz HTLHJPOQXFJCCC-SWLSCSKDSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1CCC(C)(C)CC1 ZINC001228628347 1053149931 /nfs/dbraw/zinc/14/99/31/1053149931.db2.gz JWUXQPPKGLZSHB-UHFFFAOYSA-N -1 3 302.370 4.155 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](c1ccccc1)C1CC1 ZINC001228627348 1053150030 /nfs/dbraw/zinc/15/00/30/1053150030.db2.gz DNAIXPOTUMRPAN-SFHVURJKSA-N -1 3 322.360 4.337 20 0 DIADHM CC/C=C(\C)[C@H](CC)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623903 1053150089 /nfs/dbraw/zinc/15/00/89/1053150089.db2.gz VMQFVSIIZMYCPZ-USYSOWRXSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](c1ccccc1)C1CC1 ZINC001228627335 1053150240 /nfs/dbraw/zinc/15/02/40/1053150240.db2.gz DNAIXPOTUMRPAN-GOSISDBHSA-N -1 3 322.360 4.337 20 0 DIADHM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C2 ZINC001318342835 1053163767 /nfs/dbraw/zinc/16/37/67/1053163767.db2.gz LKXBDHBWUDFBHW-OAHLLOKOSA-N -1 3 319.813 4.010 20 0 DIADHM CC[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1cccc(F)c1C ZINC001228853359 1053192200 /nfs/dbraw/zinc/19/22/00/1053192200.db2.gz IAJHBYCJCYZHPV-SFHVURJKSA-N -1 3 314.356 4.499 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CC[C@H]4CCCC[C@@H]4C3)cc21 ZINC001228854268 1053193945 /nfs/dbraw/zinc/19/39/45/1053193945.db2.gz PXVLFJMXFVJXCG-UMVBOHGHSA-N -1 3 300.398 4.259 20 0 DIADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCC(F)(F)CC1 ZINC000089506041 1053206173 /nfs/dbraw/zinc/20/61/73/1053206173.db2.gz AYDDSKMPAGFJKX-UHFFFAOYSA-N -1 3 323.261 4.175 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)COC(C)(C)C ZINC001228958095 1053212904 /nfs/dbraw/zinc/21/29/04/1053212904.db2.gz HYFCZXCTIPEMOQ-GFCCVEGCSA-N -1 3 308.418 4.301 20 0 DIADHM COC(C)(C)C[C@@H](C)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959527 1053212917 /nfs/dbraw/zinc/21/29/17/1053212917.db2.gz CQRVMCAWSFYEKP-GFCCVEGCSA-N -1 3 308.418 4.301 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)c1ncccc1F ZINC001228959204 1053213485 /nfs/dbraw/zinc/21/34/85/1053213485.db2.gz VHMSNAUJQAVPIX-LBPRGKRZSA-N -1 3 317.360 4.392 20 0 DIADHM CO[C@H]1CCCC[C@@H]1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228959618 1053213692 /nfs/dbraw/zinc/21/36/92/1053213692.db2.gz GMEDYPBDVAQQJZ-IRXDYDNUSA-N -1 3 306.402 4.055 20 0 DIADHM CCC[C@H](C)[C@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229096512 1053245916 /nfs/dbraw/zinc/24/59/16/1053245916.db2.gz DYXDALKRUZIFCF-CABZTGNLSA-N -1 3 317.223 4.454 20 0 DIADHM CC(C)C[C@@H](Oc1cc(O)cc([O-])c1Br)C(C)C ZINC001229098137 1053246620 /nfs/dbraw/zinc/24/66/20/1053246620.db2.gz BWGCZBAHOBSXGC-GFCCVEGCSA-N -1 3 317.223 4.310 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099592 1053247087 /nfs/dbraw/zinc/24/70/87/1053247087.db2.gz MEMHPRNEUKDPPA-JTQLQIEISA-N -1 3 323.186 4.309 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3cc(F)ccc32)c1Br ZINC001229141850 1053256788 /nfs/dbraw/zinc/25/67/88/1053256788.db2.gz NATRQDINBOZQLR-CYBMUJFWSA-N -1 3 323.161 4.360 20 0 DIADHM [O-]c1cccc(O[C@@H](c2cccnc2)C2CC2)c1Br ZINC001229140837 1053257393 /nfs/dbraw/zinc/25/73/93/1053257393.db2.gz GKRJLEIFBNCJAZ-OAHLLOKOSA-N -1 3 320.186 4.080 20 0 DIADHM C[C@H](Oc1cccc([O-])c1Br)c1ccccc1F ZINC001229139690 1053257931 /nfs/dbraw/zinc/25/79/31/1053257931.db2.gz KHICLPKDVDIBJD-VIFPVBQESA-N -1 3 311.150 4.434 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1nsc2ccccc21 ZINC001127642406 1053272793 /nfs/dbraw/zinc/27/27/93/1053272793.db2.gz BSHCNZKRYAFYNC-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM C[C@H](Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1)C1CC1 ZINC001229266983 1053287036 /nfs/dbraw/zinc/28/70/36/1053287036.db2.gz BOTJWKIQDPPBND-LBPRGKRZSA-N -1 3 322.360 4.343 20 0 DIADHM CC[C@@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229267906 1053287616 /nfs/dbraw/zinc/28/76/16/1053287616.db2.gz WEGOVOYKIOPKGM-GFCCVEGCSA-N -1 3 310.349 4.343 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3cccc(C)c3[O-])cc2)oc1C ZINC000618825190 1053368991 /nfs/dbraw/zinc/36/89/91/1053368991.db2.gz MWMXTHQDZIFLAJ-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM COc1ccc2cc([C@@H](C)Oc3nc(C)[n-]c(=O)c3C)ccc2c1 ZINC001229684987 1053384546 /nfs/dbraw/zinc/38/45/46/1053384546.db2.gz HVDFQXAKMBMTEY-GFCCVEGCSA-N -1 3 324.380 4.101 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@H]2C=CCC2)c1 ZINC001229811681 1053409610 /nfs/dbraw/zinc/40/96/10/1053409610.db2.gz TUMJQWZOULJULH-AWEZNQCLSA-N -1 3 312.365 4.162 20 0 DIADHM O=C([N-]c1cc(Cl)cc2cccnc21)c1ocnc1C(F)F ZINC001352866578 1053421728 /nfs/dbraw/zinc/42/17/28/1053421728.db2.gz XIWJHBYBVVCXBA-UHFFFAOYSA-N -1 3 323.686 4.066 20 0 DIADHM CCCC[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001229954562 1053439014 /nfs/dbraw/zinc/43/90/14/1053439014.db2.gz MHPQZJBMCGPSLU-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001229954562 1053439026 /nfs/dbraw/zinc/43/90/26/1053439026.db2.gz MHPQZJBMCGPSLU-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM O=C(NC1(C2CCC2)CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001300226009 1053509219 /nfs/dbraw/zinc/50/92/19/1053509219.db2.gz LXDSMTMUPIKGIO-UHFFFAOYSA-N -1 3 321.420 4.046 20 0 DIADHM CC(C)(C)Sc1cc(C(=O)Nc2cccc([O-])c2F)ccn1 ZINC000182841117 1053526540 /nfs/dbraw/zinc/52/65/40/1053526540.db2.gz GLGXNLPUAUHOKY-UHFFFAOYSA-N -1 3 320.389 4.069 20 0 DIADHM C[C@H](Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC001230454209 1053540813 /nfs/dbraw/zinc/54/08/13/1053540813.db2.gz SFODFDJVRLOIAG-NSHDSACASA-N -1 3 316.784 4.454 20 0 DIADHM CC(C)N(CCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC001324459461 1053654846 /nfs/dbraw/zinc/65/48/46/1053654846.db2.gz ISXVWORCMXGVFT-UHFFFAOYSA-N -1 3 317.816 4.139 20 0 DIADHM CC[C@H](OC(=O)c1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC001435744038 1053661103 /nfs/dbraw/zinc/66/11/03/1053661103.db2.gz PILJACNQLWTOSU-HNNXBMFYSA-N -1 3 320.772 4.362 20 0 DIADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1csc(Cl)c1 ZINC001231072985 1053667542 /nfs/dbraw/zinc/66/75/42/1053667542.db2.gz DNVSHVGPCFTLCI-ZETCQYMHSA-N -1 3 324.764 4.329 20 0 DIADHM O=C(Oc1cc(F)ccc1Cl)c1cccc(Cl)c1[O-] ZINC001436010475 1053752178 /nfs/dbraw/zinc/75/21/78/1053752178.db2.gz YGFGMYYOFOCBTE-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM Cc1cccc(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)c1C ZINC001231465081 1053758242 /nfs/dbraw/zinc/75/82/42/1053758242.db2.gz BIDZDPLWPKUXCO-UHFFFAOYSA-N -1 3 315.438 4.228 20 0 DIADHM [O-]c1ccc(CN2CCC[C@H]2c2cccnc2)cc1C(F)(F)F ZINC001231522459 1053777913 /nfs/dbraw/zinc/77/79/13/1053777913.db2.gz GEYBKEJQZPBVJC-HNNXBMFYSA-N -1 3 322.330 4.143 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2c2cccnc2)cc1C(F)(F)F ZINC001231521977 1053778339 /nfs/dbraw/zinc/77/83/39/1053778339.db2.gz GEYBKEJQZPBVJC-OAHLLOKOSA-N -1 3 322.330 4.143 20 0 DIADHM C[C@@]1(F)CCCCN(Cc2ccc([O-])c(C(F)(F)F)c2)C1 ZINC001231523884 1053780027 /nfs/dbraw/zinc/78/00/27/1053780027.db2.gz IDJHAQVJYZJWPI-CQSZACIVSA-N -1 3 305.315 4.125 20 0 DIADHM [O-]c1ccc(CN2CCCCC(F)(F)C2)cc1C(F)(F)F ZINC001231524882 1053780559 /nfs/dbraw/zinc/78/05/59/1053780559.db2.gz XNMRTALDOXSMNZ-UHFFFAOYSA-N -1 3 309.278 4.032 20 0 DIADHM COc1ccccc1[C@H](C)N(C)Cc1ccc(Cl)c([O-])c1 ZINC001231737630 1053843330 /nfs/dbraw/zinc/84/33/30/1053843330.db2.gz UVTHCLGOKYFUTM-LBPRGKRZSA-N -1 3 305.805 4.247 20 0 DIADHM Cc1cccc2nc([N-][C@@H](C[C@H]3CCCO3)C(F)(F)F)oc21 ZINC001327723272 1053875233 /nfs/dbraw/zinc/87/52/33/1053875233.db2.gz ZODUMKGJHWMBIP-PWSUYJOCSA-N -1 3 314.307 4.048 20 0 DIADHM CCCc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000621246763 1053922886 /nfs/dbraw/zinc/92/28/86/1053922886.db2.gz REMGRXWJYRQOIM-CQSZACIVSA-N -1 3 309.456 4.068 20 0 DIADHM CC(C)N(CCCCCO)Cc1ccc(Cl)c([O-])c1Cl ZINC001232628485 1054088982 /nfs/dbraw/zinc/08/89/82/1054088982.db2.gz GITUZOUAIKOWDW-UHFFFAOYSA-N -1 3 320.260 4.072 20 0 DIADHM Cc1cc(C)cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000622275625 1054141007 /nfs/dbraw/zinc/14/10/07/1054141007.db2.gz MMQORAHKAPGPHE-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622293686 1054143065 /nfs/dbraw/zinc/14/30/65/1054143065.db2.gz SZUUOWDFORPNEX-UHFFFAOYSA-N -1 3 317.351 4.356 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@@H](Cc3ccccc3)C2)c1F ZINC001232935810 1054150406 /nfs/dbraw/zinc/15/04/06/1054150406.db2.gz MYFDYLKCIORDEE-HNNXBMFYSA-N -1 3 317.379 4.125 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@@H](c3ccccc3)CC2)c1F ZINC001232936642 1054152243 /nfs/dbraw/zinc/15/22/43/1054152243.db2.gz FLOZKSOWNPULDP-OAHLLOKOSA-N -1 3 317.379 4.440 20 0 DIADHM [O-]c1c(F)ccc(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1F ZINC001232938008 1054152642 /nfs/dbraw/zinc/15/26/42/1054152642.db2.gz XTFUTQWNZNHJBZ-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM CCN(Cc1ccc(C)c(C)c1)Cc1ccc(F)c([O-])c1F ZINC001232940367 1054153841 /nfs/dbraw/zinc/15/38/41/1054153841.db2.gz OSSXXDQRSHRRCZ-UHFFFAOYSA-N -1 3 305.368 4.309 20 0 DIADHM CC(C)CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000622297145 1054156104 /nfs/dbraw/zinc/15/61/04/1054156104.db2.gz OXLYGXQKTDHDBC-UHFFFAOYSA-N -1 3 315.335 4.062 20 0 DIADHM Cc1cccc([C@@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)c1 ZINC001232968271 1054161488 /nfs/dbraw/zinc/16/14/88/1054161488.db2.gz GNPFHUMIYHKXRU-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H](Cc3ccccc3)C2)cc(F)c1F ZINC001232972163 1054162097 /nfs/dbraw/zinc/16/20/97/1054162097.db2.gz UYYWGBKKMMVWSR-HNNXBMFYSA-N -1 3 317.379 4.125 20 0 DIADHM Cc1cccc(CN(Cc2cc([O-])c(F)c(F)c2)C2CC2)c1C ZINC001232973848 1054162590 /nfs/dbraw/zinc/16/25/90/1054162590.db2.gz MNSHKANPAHJTSQ-UHFFFAOYSA-N -1 3 317.379 4.452 20 0 DIADHM CCN(Cc1cccc(Cl)c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232972730 1054162838 /nfs/dbraw/zinc/16/28/38/1054162838.db2.gz ACOJOYRJPSPVHP-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM [O-]c1cc(CN2CCC(c3ccccc3)CC2)cc(F)c1F ZINC001232971363 1054163303 /nfs/dbraw/zinc/16/33/03/1054163303.db2.gz BTLHUQDGQOLZII-UHFFFAOYSA-N -1 3 303.352 4.050 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CCC(C)C)C2CCCC2)c1 ZINC000622334664 1054176048 /nfs/dbraw/zinc/17/60/48/1054176048.db2.gz XZDUIIAZKPBHOZ-UHFFFAOYSA-N -1 3 303.446 4.386 20 0 DIADHM [O-]c1cccc(CN(Cc2ccccn2)C2CCCCC2)c1F ZINC001233056175 1054176478 /nfs/dbraw/zinc/17/64/78/1054176478.db2.gz DGCLKHRAJLHUDY-UHFFFAOYSA-N -1 3 314.404 4.261 20 0 DIADHM [O-]c1cccc(CN(Cc2ccccc2)Cc2cccnc2)c1F ZINC001233052296 1054177009 /nfs/dbraw/zinc/17/70/09/1054177009.db2.gz KIDQZZSSXFJSBY-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM CN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc([O-])c1F ZINC001233050097 1054178145 /nfs/dbraw/zinc/17/81/45/1054178145.db2.gz FUVJOVSMGVMYFA-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CC(C)c1nc(CNC[C@@H](C(=O)[O-])C2CCCCCC2)cs1 ZINC001334406822 1054190573 /nfs/dbraw/zinc/19/05/73/1054190573.db2.gz IJZSPWOXYYSJKJ-OAHLLOKOSA-N -1 3 324.490 4.027 20 0 DIADHM CCc1cccc(C(=O)N2CCCC3(CCCCC3)C2)c1[O-] ZINC000622367379 1054192665 /nfs/dbraw/zinc/19/26/65/1054192665.db2.gz JNDOMDLLKIFSER-UHFFFAOYSA-N -1 3 301.430 4.141 20 0 DIADHM CC(C)CN(CC(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622369290 1054194169 /nfs/dbraw/zinc/19/41/69/1054194169.db2.gz FRJZAKWOUZTGFF-UHFFFAOYSA-N -1 3 317.351 4.165 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1[O-] ZINC000622413660 1054208047 /nfs/dbraw/zinc/20/80/47/1054208047.db2.gz XVOJYNGOEVVJQO-UHFFFAOYSA-N -1 3 315.344 4.023 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccccc2F)c1F ZINC001233395805 1054259866 /nfs/dbraw/zinc/25/98/66/1054259866.db2.gz RLBNTBWFZHXBHR-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(Cc3ccccc3)CC2)c1F ZINC001233393097 1054260878 /nfs/dbraw/zinc/26/08/78/1054260878.db2.gz APCUZMSDBCOKJK-UHFFFAOYSA-N -1 3 317.379 4.125 20 0 DIADHM C[C@H]1CCCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622521041 1054271910 /nfs/dbraw/zinc/27/19/10/1054271910.db2.gz JIQBKYZSMNNJIK-INIZCTEOSA-N -1 3 323.436 4.245 20 0 DIADHM CCC(C)(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC001439509061 1054276780 /nfs/dbraw/zinc/27/67/80/1054276780.db2.gz HXONUIJJSYMVPQ-UHFFFAOYSA-N -1 3 324.384 4.005 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)c([O-])c1C ZINC000622541113 1054277215 /nfs/dbraw/zinc/27/72/15/1054277215.db2.gz BRXXMZHWUDWLFL-UHFFFAOYSA-N -1 3 305.324 4.373 20 0 DIADHM CCc1cccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1[O-] ZINC000622562772 1054281799 /nfs/dbraw/zinc/28/17/99/1054281799.db2.gz OVMODEWBIQBTSI-QGZVFWFLSA-N -1 3 309.409 4.355 20 0 DIADHM CC(C)[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000622562904 1054282390 /nfs/dbraw/zinc/28/23/90/1054282390.db2.gz SNSKLQKLNAUKOG-HNNXBMFYSA-N -1 3 315.800 4.446 20 0 DIADHM CC(C)N(C)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000622579795 1054290983 /nfs/dbraw/zinc/29/09/83/1054290983.db2.gz SYIGADVZMSDCPS-UHFFFAOYSA-N -1 3 318.804 4.143 20 0 DIADHM COc1ccccc1OC[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592218 1054303898 /nfs/dbraw/zinc/30/38/98/1054303898.db2.gz KLRLPBDTSLTEDL-GFCCVEGCSA-N -1 3 322.788 4.209 20 0 DIADHM COc1ccc(OC[C@@H](C)Oc2cc(Cl)c([O-])cc2C)cc1 ZINC001233593326 1054306007 /nfs/dbraw/zinc/30/60/07/1054306007.db2.gz VVYZQDNVNPXXPH-GFCCVEGCSA-N -1 3 322.788 4.209 20 0 DIADHM CCOC(=O)[C@H](Oc1cc(Cl)c([O-])cc1C)c1ccccc1 ZINC001233592457 1054306418 /nfs/dbraw/zinc/30/64/18/1054306418.db2.gz NBOVASVKFTXLSK-MRXNPFEDSA-N -1 3 320.772 4.037 20 0 DIADHM Cc1cc(-c2ncccc2NC(=O)c2cccc(C)c2[O-])cs1 ZINC001339092574 1054323123 /nfs/dbraw/zinc/32/31/23/1054323123.db2.gz GEYOIJMXTIZLJB-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cccc(C(F)(F)F)c1 ZINC001233677214 1054329566 /nfs/dbraw/zinc/32/95/66/1054329566.db2.gz HHDWHBJHZGYJAQ-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM CCC[C@H](Oc1ccc2occ([O-])c2c1)c1ccc(OC)cc1 ZINC001233680736 1054331562 /nfs/dbraw/zinc/33/15/62/1054331562.db2.gz MZDOPKQSULUQMF-SFHVURJKSA-N -1 3 312.365 4.191 20 0 DIADHM CC(C)(C)C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1(C)C ZINC000622710785 1054343940 /nfs/dbraw/zinc/34/39/40/1054343940.db2.gz UENBZGBSIJOPEB-CQSZACIVSA-N -1 3 321.436 4.137 20 0 DIADHM O=C([N-]c1cccc(F)c1F)c1cc(-c2ccc(F)cc2)no1 ZINC001356537758 1054351441 /nfs/dbraw/zinc/35/14/41/1054351441.db2.gz OVGZHKJJCXQCGY-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM O=C(Nc1ccccc1Cl)c1cc2c(cc1[O-])CCCC2 ZINC001440569461 1054356927 /nfs/dbraw/zinc/35/69/27/1054356927.db2.gz QNONWQVIAZLSBU-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC001440618208 1054359065 /nfs/dbraw/zinc/35/90/65/1054359065.db2.gz NLXSKHYDGGVQOQ-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCCCCC[C@@](C)(CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001340812844 1054367901 /nfs/dbraw/zinc/36/79/01/1054367901.db2.gz RPNXOISWLDSKFR-CYBMUJFWSA-N -1 3 320.359 4.149 20 0 DIADHM CCCCCC[C@@](C)(CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001340812844 1054367915 /nfs/dbraw/zinc/36/79/15/1054367915.db2.gz RPNXOISWLDSKFR-CYBMUJFWSA-N -1 3 320.359 4.149 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C)c3ncccc23)c1[O-] ZINC001440879859 1054373438 /nfs/dbraw/zinc/37/34/38/1054373438.db2.gz IFAWAQAUPHIHRD-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM CC(C)Oc1cc(F)c(COc2cccc([O-])c2F)c(F)c1 ZINC001233869513 1054377029 /nfs/dbraw/zinc/37/70/29/1054377029.db2.gz HGYDPSMPVCUWFX-UHFFFAOYSA-N -1 3 312.287 4.176 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)c([O-])c1C ZINC001441059742 1054378673 /nfs/dbraw/zinc/37/86/73/1054378673.db2.gz TXGPCSCDCFQSEZ-UHFFFAOYSA-N -1 3 306.365 4.052 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1F)c1ncc(C(F)(F)F)cc1F ZINC001233870697 1054378971 /nfs/dbraw/zinc/37/89/71/1054378971.db2.gz HNARRXGDQWBSHT-SSDOTTSWSA-N -1 3 319.229 4.224 20 0 DIADHM CCCN(C(=O)c1cccc(CC)c1[O-])[C@@H]1CCc2ccccc21 ZINC001442390348 1054419301 /nfs/dbraw/zinc/41/93/01/1054419301.db2.gz FIRKNAFFDYDJGE-LJQANCHMSA-N -1 3 323.436 4.494 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001444027588 1054466124 /nfs/dbraw/zinc/46/61/24/1054466124.db2.gz FCOHVFQYOOEPIQ-NUEKZKHPSA-N -1 3 301.430 4.214 20 0 DIADHM Cc1ccc([C@H](C)CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001444443608 1054477684 /nfs/dbraw/zinc/47/76/84/1054477684.db2.gz NRBXHIFIUWZIKV-OAHLLOKOSA-N -1 3 319.404 4.387 20 0 DIADHM O=C1CC[C@H](Oc2c(Cl)ccc([O-])c2F)c2ccccc21 ZINC001234263611 1054479862 /nfs/dbraw/zinc/47/98/62/1054479862.db2.gz DEMNMQWMSJDNDO-AWEZNQCLSA-N -1 3 306.720 4.281 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCc2ccc3ccccc3c2)c1 ZINC001444998265 1054495486 /nfs/dbraw/zinc/49/54/86/1054495486.db2.gz KCAJINZRJMVSAT-UHFFFAOYSA-N -1 3 323.417 4.197 20 0 DIADHM CC1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1 ZINC001445165172 1054499489 /nfs/dbraw/zinc/49/94/89/1054499489.db2.gz YBZPUCHWPKNDEP-UHFFFAOYSA-N -1 3 323.436 4.097 20 0 DIADHM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001445430413 1054508203 /nfs/dbraw/zinc/50/82/03/1054508203.db2.gz NBYHHVGKNMXTDW-JKSUJKDBSA-N -1 3 323.436 4.048 20 0 DIADHM CCCCc1nc2cc(NC(=O)c3cccc(C)c3[O-])ccc2[nH]1 ZINC001445535306 1054510202 /nfs/dbraw/zinc/51/02/02/1054510202.db2.gz HOMIDSGPKQSJPO-UHFFFAOYSA-N -1 3 323.396 4.172 20 0 DIADHM CCOc1cc(Cl)ccc1NC(=O)c1cccc(CC)c1[O-] ZINC001445942840 1054522440 /nfs/dbraw/zinc/52/24/40/1054522440.db2.gz YBLLFSHOJDNSTK-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM COC(=O)c1ccc([C@@H](C)Oc2c([O-])cc(Cl)cc2F)cc1 ZINC001234445916 1054523296 /nfs/dbraw/zinc/52/32/96/1054523296.db2.gz CKBGSJBWRVMEOM-SECBINFHSA-N -1 3 324.735 4.111 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@H](c1cccnc1)C(F)(F)F ZINC001234448114 1054524505 /nfs/dbraw/zinc/52/45/05/1054524505.db2.gz OZVAPPDVHQKTHG-GFCCVEGCSA-N -1 3 321.657 4.262 20 0 DIADHM COC(=O)c1ccc([C@H](C)Oc2c([O-])cc(Cl)cc2F)cc1 ZINC001234445917 1054524977 /nfs/dbraw/zinc/52/49/77/1054524977.db2.gz CKBGSJBWRVMEOM-VIFPVBQESA-N -1 3 324.735 4.111 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1CCCN(c2ccccc2)C1 ZINC001234448351 1054525807 /nfs/dbraw/zinc/52/58/07/1054525807.db2.gz RDKOXVOAWAZMAE-AWEZNQCLSA-N -1 3 321.779 4.233 20 0 DIADHM Cc1cc(C)cc(C2=CCN(C(=O)c3c(C)cccc3[O-])CC2)c1 ZINC001446241140 1054532130 /nfs/dbraw/zinc/53/21/30/1054532130.db2.gz VVAFNDGSYRHCEF-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM Cc1ccccc1C(F)(F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446531721 1054539874 /nfs/dbraw/zinc/53/98/74/1054539874.db2.gz ZCKNEZRFDCHTJA-UHFFFAOYSA-N -1 3 311.715 4.085 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1-c1ccncc1 ZINC001446530272 1054540540 /nfs/dbraw/zinc/54/05/40/1054540540.db2.gz WKBCFRUOLRDTFK-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCC[C@H](C(=O)Nc1cc(Br)ccc1[O-])C(C)C ZINC001447278541 1054558329 /nfs/dbraw/zinc/55/83/29/1054558329.db2.gz PQJIDXDLEFNTKX-NSHDSACASA-N -1 3 314.223 4.166 20 0 DIADHM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000372 1054574235 /nfs/dbraw/zinc/57/42/35/1054574235.db2.gz LXQCBIWGAFBOPT-HNNXBMFYSA-N -1 3 319.788 4.150 20 0 DIADHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001546000593 1054576018 /nfs/dbraw/zinc/57/60/18/1054576018.db2.gz UUCVOIBRBVJSCF-UONOGXRCSA-N -1 3 301.773 4.096 20 0 DIADHM Cc1ccc(C)c(OCCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001546000696 1054577785 /nfs/dbraw/zinc/57/77/85/1054577785.db2.gz YKJDTJISADWNQZ-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1F ZINC001234689872 1054577973 /nfs/dbraw/zinc/57/79/73/1054577973.db2.gz WDKNTWLIULRYQS-GFCCVEGCSA-N -1 3 310.328 4.128 20 0 DIADHM Cc1oc2ccc(NC(=O)c3[n-]cnc3C(F)(F)F)cc2c1C ZINC001447987670 1054581843 /nfs/dbraw/zinc/58/18/43/1054581843.db2.gz BRAMPQXGYBSNJT-UHFFFAOYSA-N -1 3 323.274 4.044 20 0 DIADHM Cc1oc2ccc(NC(=O)c3nc[n-]c3C(F)(F)F)cc2c1C ZINC001447987670 1054581855 /nfs/dbraw/zinc/58/18/55/1054581855.db2.gz BRAMPQXGYBSNJT-UHFFFAOYSA-N -1 3 323.274 4.044 20 0 DIADHM COc1cccc([C@H](C)CCCC(=O)[N-]OC2CCCCC2)c1 ZINC001448117839 1054589374 /nfs/dbraw/zinc/58/93/74/1054589374.db2.gz ZBIJUPFAZFYSRG-OAHLLOKOSA-N -1 3 319.445 4.350 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2ccc(F)cc2)c1C(C)=O ZINC001234792169 1054592684 /nfs/dbraw/zinc/59/26/84/1054592684.db2.gz XMKDVDLMBMWHLV-LBPRGKRZSA-N -1 3 318.344 4.191 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c([O-])c1 ZINC001448588035 1054600722 /nfs/dbraw/zinc/60/07/22/1054600722.db2.gz UTZGJAVRLBJXEI-DLBZAZTESA-N -1 3 301.430 4.214 20 0 DIADHM Clc1ccnc2c1CCC[C@@H]2Oc1nc2ccsc2[n-]1 ZINC001234856142 1054605541 /nfs/dbraw/zinc/60/55/41/1054605541.db2.gz WJKDSSDCWLVILD-NSHDSACASA-N -1 3 305.790 4.129 20 0 DIADHM Cc1ccc(SCCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001450263380 1054642904 /nfs/dbraw/zinc/64/29/04/1054642904.db2.gz RVSJLFXSEFBSNQ-UHFFFAOYSA-N -1 3 321.829 4.475 20 0 DIADHM C[C@@H](C1CC1)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179420005 1054680623 /nfs/dbraw/zinc/68/06/23/1054680623.db2.gz OMLOXAKENDEVHP-ZDUSSCGKSA-N -1 3 311.381 4.055 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001451737168 1054685499 /nfs/dbraw/zinc/68/54/99/1054685499.db2.gz HCHJXMHQVCQBFB-GJZGRUSLSA-N -1 3 321.486 4.401 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1 ZINC001452152697 1054695724 /nfs/dbraw/zinc/69/57/24/1054695724.db2.gz RMIINDKRDYYXLO-RDJZCZTQSA-N -1 3 315.457 4.243 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@H](C)C2)c([O-])c1 ZINC001452864621 1054719599 /nfs/dbraw/zinc/71/95/99/1054719599.db2.gz MRNAXNJPJSKGOT-OAHLLOKOSA-N -1 3 323.436 4.318 20 0 DIADHM COc1cccc(C(=O)Nc2ccc(Cl)cc2SC)c1[O-] ZINC001453210207 1054730363 /nfs/dbraw/zinc/73/03/63/1054730363.db2.gz GXBLXTVVUAFRPP-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM CC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC001453556450 1054739617 /nfs/dbraw/zinc/73/96/17/1054739617.db2.gz RWNLRXWWPNNKFU-QGZVFWFLSA-N -1 3 311.381 4.103 20 0 DIADHM CCCC[C@@H](CC)CCCN(C)C(=O)c1c([O-])cccc1OC ZINC001453703465 1054744933 /nfs/dbraw/zinc/74/49/33/1054744933.db2.gz VASFDZDEPLVWCN-OAHLLOKOSA-N -1 3 321.461 4.469 20 0 DIADHM O=C(CCCc1cc(Cl)sc1Cl)[N-]OCC1CCC1 ZINC001453745244 1054745513 /nfs/dbraw/zinc/74/55/13/1054745513.db2.gz YMGJOPGCCZIFSF-UHFFFAOYSA-N -1 3 322.257 4.226 20 0 DIADHM Cc1cccc(C[C@]2(C)CCCN2C(=O)c2ccc(C)cc2[O-])c1 ZINC001454341543 1054764594 /nfs/dbraw/zinc/76/45/94/1054764594.db2.gz YTUVXFOANFJMBC-NRFANRHFSA-N -1 3 323.436 4.246 20 0 DIADHM CCc1cccc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c1[O-] ZINC001454736077 1054782068 /nfs/dbraw/zinc/78/20/68/1054782068.db2.gz VBFKXUFQUUAWLD-CQSZACIVSA-N -1 3 309.409 4.400 20 0 DIADHM CC(C)(C)C(=O)Nc1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899717 1054837254 /nfs/dbraw/zinc/83/72/54/1054837254.db2.gz NHVDAZVAGZZFJS-UHFFFAOYSA-N -1 3 304.777 4.092 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc(-c3ccc(F)cc3)ncn2)c1 ZINC001235901726 1054839599 /nfs/dbraw/zinc/83/95/99/1054839599.db2.gz XRJAYTQCJSRAFB-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM COc1ccc(-c2cnc(-c3cc([O-])cc(Cl)c3)nc2)cc1 ZINC001235899798 1054840338 /nfs/dbraw/zinc/84/03/38/1054840338.db2.gz ORGLYAXMDHDTKM-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM CC(C)(C)OC(=O)c1cccnc1-c1cc([O-])cc(Cl)c1 ZINC001235901823 1054840427 /nfs/dbraw/zinc/84/04/27/1054840427.db2.gz YGSGFUQLFRZGGD-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM Cc1nc(C)c(-c2ccc(-c3cc([O-])cc(Cl)c3)nn2)s1 ZINC001235901638 1054840879 /nfs/dbraw/zinc/84/08/79/1054840879.db2.gz XANDFNDAFQMMGK-UHFFFAOYSA-N -1 3 317.801 4.243 20 0 DIADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1ccc(F)cc1 ZINC001235904342 1054842171 /nfs/dbraw/zinc/84/21/71/1054842171.db2.gz NTGUFWWJUYDFJJ-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM [O-]c1c(F)cc(F)c(-c2ccccc2CN2CCCCC2)c1F ZINC001235996847 1054886147 /nfs/dbraw/zinc/88/61/47/1054886147.db2.gz AJFABRGMQWHHJQ-UHFFFAOYSA-N -1 3 321.342 4.462 20 0 DIADHM O=C([O-])c1ccc(-c2ccc(F)c(CN3CCCCC3)c2)cc1 ZINC001236063106 1054921603 /nfs/dbraw/zinc/92/16/03/1054921603.db2.gz BPOWOWWXSUFLSC-UHFFFAOYSA-N -1 3 313.372 4.177 20 0 DIADHM C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000181726587 1054932369 /nfs/dbraw/zinc/93/23/69/1054932369.db2.gz FNZRLBOPHSDTPZ-ZDUSSCGKSA-N -1 3 301.361 4.129 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001236105947 1054948434 /nfs/dbraw/zinc/94/84/34/1054948434.db2.gz ANWZMCQRTKJVHJ-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001236105947 1054948446 /nfs/dbraw/zinc/94/84/46/1054948446.db2.gz ANWZMCQRTKJVHJ-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cscc2Cl)c(F)c1 ZINC001535479826 1054957053 /nfs/dbraw/zinc/95/70/53/1054957053.db2.gz CGSSXUBZDZNPMV-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(C)o1 ZINC000182765121 1055007794 /nfs/dbraw/zinc/00/77/94/1055007794.db2.gz RCRPZDDJVCVADG-UHFFFAOYSA-N -1 3 320.197 4.004 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(F)cc(F)c1 ZINC000183368662 1055041900 /nfs/dbraw/zinc/04/19/00/1055041900.db2.gz XODFCXCRXVGLQL-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM CC(C)C(=O)Nc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001236272213 1055047616 /nfs/dbraw/zinc/04/76/16/1055047616.db2.gz RTEWAYDQEPUMRF-UHFFFAOYSA-N -1 3 310.422 4.244 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)c(Cl)c1F ZINC000184569037 1055079723 /nfs/dbraw/zinc/07/97/23/1055079723.db2.gz YZDCTEDOTJLKET-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc([O-])c1Cl ZINC000380975167 1055140375 /nfs/dbraw/zinc/14/03/75/1055140375.db2.gz YXXCAVRXLNGIFR-LLVKDONJSA-N -1 3 307.743 4.208 20 0 DIADHM COc1ccc(-c2ccccc2)cc1C=Cc1nccc(=O)[n-]1 ZINC000764434355 1055185197 /nfs/dbraw/zinc/18/51/97/1055185197.db2.gz JLGAZORJUVBZOQ-CSKARUKUSA-N -1 3 304.349 4.028 20 0 DIADHM O=C(Oc1cc(F)cc(Cl)c1)c1cccc(Cl)c1[O-] ZINC001587124369 1055221241 /nfs/dbraw/zinc/22/12/41/1055221241.db2.gz PCACPYSMKSKPOY-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM [O-]c1cc(CN2CCC[C@H]2c2c(F)cccc2F)ccc1F ZINC001236707556 1055235907 /nfs/dbraw/zinc/23/59/07/1055235907.db2.gz HXVFLHSEAYOSMJ-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001587245836 1055250227 /nfs/dbraw/zinc/25/02/27/1055250227.db2.gz ACROMVVYLZEJJX-IUODEOHRSA-N -1 3 307.459 4.155 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1sc(Cl)nc1C ZINC001537378848 1055299065 /nfs/dbraw/zinc/29/90/65/1055299065.db2.gz WZQZGZCFYRWETA-UHFFFAOYSA-N -1 3 316.810 4.218 20 0 DIADHM CCc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c([O-])c1 ZINC001587745631 1055357097 /nfs/dbraw/zinc/35/70/97/1055357097.db2.gz RUYALXRVQADNLA-GOSISDBHSA-N -1 3 311.425 4.472 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc(Cl)s2)c([O-])c1 ZINC001587750314 1055358420 /nfs/dbraw/zinc/35/84/20/1055358420.db2.gz MBZSAPLYZHEUCZ-UHFFFAOYSA-N -1 3 309.818 4.161 20 0 DIADHM FC1(F)CN(Cc2occc2[S-])CC[C@H]1Cc1ccccc1 ZINC001237188856 1055397579 /nfs/dbraw/zinc/39/75/79/1055397579.db2.gz XXYKZBDIJLSENK-AWEZNQCLSA-N -1 3 323.408 4.268 20 0 DIADHM [O-]c1cc(F)cc(CN(Cc2ccccc2)Cc2ccncc2)c1 ZINC001237285213 1055416075 /nfs/dbraw/zinc/41/60/75/1055416075.db2.gz OXTZGAUERSTFLH-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM C[C@H](CCc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471558530 1055426648 /nfs/dbraw/zinc/42/66/48/1055426648.db2.gz KRBMYKWAVOFWRI-OAHLLOKOSA-N -1 3 319.404 4.297 20 0 DIADHM CCN(c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1)C(C)C ZINC001588088287 1055427947 /nfs/dbraw/zinc/42/79/47/1055427947.db2.gz OESQTNGQEMZADM-UHFFFAOYSA-N -1 3 312.413 4.188 20 0 DIADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)c1cccc(OC)c1 ZINC000471694764 1055460568 /nfs/dbraw/zinc/46/05/68/1055460568.db2.gz WDNKBEVTWWSRMK-UHFFFAOYSA-N -1 3 321.376 4.221 20 0 DIADHM [O-]c1c(CN2CCCC3(CCCC3)C2)cc(Cl)nc1Cl ZINC001237520751 1055467686 /nfs/dbraw/zinc/46/76/86/1055467686.db2.gz WWULPIAXNMMYAB-UHFFFAOYSA-N -1 3 315.244 4.250 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCc2cc(F)ccc21 ZINC000471796850 1055537723 /nfs/dbraw/zinc/53/77/23/1055537723.db2.gz FCZAVJSQOURESS-UHFFFAOYSA-N -1 3 321.351 4.278 20 0 DIADHM COc1cc(C(=O)/C=C\c2c(F)cccc2Cl)ccc1[O-] ZINC000213712201 1055556250 /nfs/dbraw/zinc/55/62/50/1055556250.db2.gz ATBAESFVZPWOGV-VURMDHGXSA-N -1 3 306.720 4.089 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c([O-])c1 ZINC000387425079 1055584566 /nfs/dbraw/zinc/58/45/66/1055584566.db2.gz HCRCVDMEITXCQZ-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1cc2c(cncc2Cl)s1 ZINC001595923409 1055649169 /nfs/dbraw/zinc/64/91/69/1055649169.db2.gz JKEYXNJMGSBAGP-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000472145920 1055690704 /nfs/dbraw/zinc/69/07/04/1055690704.db2.gz OGERBOVLGDXSNI-QIIPPGSGSA-N -1 3 309.409 4.339 20 0 DIADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]1c1ccccc1 ZINC000472198598 1055699824 /nfs/dbraw/zinc/69/98/24/1055699824.db2.gz RDTHZRYPUGNEKN-XOBRGWDASA-N -1 3 317.388 4.379 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001565659178 1055716498 /nfs/dbraw/zinc/71/64/98/1055716498.db2.gz JWCGTAVKYOFYEW-HOCLYGCPSA-N -1 3 303.446 4.460 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c1[O-] ZINC001566017513 1055739214 /nfs/dbraw/zinc/73/92/14/1055739214.db2.gz FMVSBYKQVNOBHW-BBRMVZONSA-N -1 3 313.397 4.161 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c([O-])c1 ZINC001566219398 1055752565 /nfs/dbraw/zinc/75/25/65/1055752565.db2.gz ZUIMHHSJTJLUGG-XJKSGUPXSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1ccc(C(=O)NC2CCC(C)(c3ccccc3)CC2)c([O-])c1 ZINC001566377477 1055766829 /nfs/dbraw/zinc/76/68/29/1055766829.db2.gz DDHAOMZCPYJQTI-UHFFFAOYSA-N -1 3 323.436 4.331 20 0 DIADHM CC1(C)C[C@]1(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001596973912 1055767571 /nfs/dbraw/zinc/76/75/71/1055767571.db2.gz MDFCAXRVBXOQJV-GOSISDBHSA-N -1 3 315.800 4.352 20 0 DIADHM CCCCN1CCc2ccc(NC(=O)c3cccc(C)c3[O-])cc21 ZINC001566403735 1055768300 /nfs/dbraw/zinc/76/83/00/1055768300.db2.gz IKMFNUWEPSFLET-UHFFFAOYSA-N -1 3 324.424 4.116 20 0 DIADHM Cc1ccccc1C1(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC001596967606 1055768460 /nfs/dbraw/zinc/76/84/60/1055768460.db2.gz MLFXMGRUGZUPRZ-UHFFFAOYSA-N -1 3 315.800 4.414 20 0 DIADHM Cc1cc(C)cc(OCCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001596967385 1055768511 /nfs/dbraw/zinc/76/85/11/1055768511.db2.gz IDBWKAHLHWZXMU-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CCCCCC(CCCCC)NC(=O)c1cccc2n[n-]nc21 ZINC001566856722 1055784660 /nfs/dbraw/zinc/78/46/60/1055784660.db2.gz XCJXLFVBHFVFOV-UHFFFAOYSA-N -1 3 316.449 4.217 20 0 DIADHM O=C(CC[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC001567234519 1055795504 /nfs/dbraw/zinc/79/55/04/1055795504.db2.gz JXTZSXOZAGHKLP-ZDUSSCGKSA-N -1 3 315.800 4.494 20 0 DIADHM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC001567224083 1055796500 /nfs/dbraw/zinc/79/65/00/1055796500.db2.gz MSIZXVIZCLPHGJ-SFHVURJKSA-N -1 3 309.409 4.493 20 0 DIADHM O=C(CC[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC001567234517 1055796719 /nfs/dbraw/zinc/79/67/19/1055796719.db2.gz JXTZSXOZAGHKLP-CYBMUJFWSA-N -1 3 315.800 4.494 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC001597290434 1055811425 /nfs/dbraw/zinc/81/14/25/1055811425.db2.gz SIDCLYGJPUREQL-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CC(C)[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001567710548 1055813910 /nfs/dbraw/zinc/81/39/10/1055813910.db2.gz QVASCRGIIWCSNF-GFCCVEGCSA-N -1 3 303.427 4.115 20 0 DIADHM Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(C)ccc1[O-] ZINC001597313431 1055814233 /nfs/dbraw/zinc/81/42/33/1055814233.db2.gz VHAMPBXMBDOEFE-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)c([O-])c1 ZINC001567721863 1055815674 /nfs/dbraw/zinc/81/56/74/1055815674.db2.gz WNAPQDKPRDIRNG-MRXNPFEDSA-N -1 3 323.436 4.331 20 0 DIADHM CC(C)COc1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001539279513 1055816881 /nfs/dbraw/zinc/81/68/81/1055816881.db2.gz JYZMRPNJECPVLC-UHFFFAOYSA-N -1 3 320.772 4.300 20 0 DIADHM CCc1cc2c(CC(=O)[N-]OC3CCCCC3)csc2s1 ZINC001567889968 1055824408 /nfs/dbraw/zinc/82/44/08/1055824408.db2.gz UEDIESDDGQNTLW-UHFFFAOYSA-N -1 3 323.483 4.448 20 0 DIADHM O=C(CCc1ccc(F)c2ccccc12)[N-]OC1CCCCC1 ZINC001567889802 1055825009 /nfs/dbraw/zinc/82/50/09/1055825009.db2.gz NXZNVIUIOOAAHZ-UHFFFAOYSA-N -1 3 315.388 4.292 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccccc2SC)c([O-])c1 ZINC001568055538 1055825987 /nfs/dbraw/zinc/82/59/87/1055825987.db2.gz AHPAGMZUIMLCMZ-GFCCVEGCSA-N -1 3 315.438 4.168 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1sccc1Cl ZINC001597821671 1055880297 /nfs/dbraw/zinc/88/02/97/1055880297.db2.gz WESJOXYKOAYHAZ-UHFFFAOYSA-N -1 3 313.831 4.384 20 0 DIADHM CCCCCCOc1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC001597626305 1055855824 /nfs/dbraw/zinc/85/58/24/1055855824.db2.gz GPYONKFIUMFOLN-UHFFFAOYSA-N -1 3 319.445 4.179 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1F ZINC001239275344 1055857014 /nfs/dbraw/zinc/85/70/14/1055857014.db2.gz QHSBYHKQGHNAQD-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2cc(C)cc3ccccc32)c1 ZINC001569275759 1055858575 /nfs/dbraw/zinc/85/85/75/1055858575.db2.gz XLKDHKPJSBXOJI-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM C/C=C(/C=C/C(=O)Nc1c(C)c(Br)ccc1[O-])CC ZINC001569634103 1055867072 /nfs/dbraw/zinc/86/70/72/1055867072.db2.gz LKLVQNTVZYWJQD-WEKRPSOOSA-N -1 3 324.218 4.314 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CCc2c1cccc2Cl ZINC001569682381 1055869606 /nfs/dbraw/zinc/86/96/06/1055869606.db2.gz LYIKNUXHJPKGGO-LLVKDONJSA-N -1 3 322.191 4.368 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(C2CC2)cnc1Cl ZINC001569681995 1055870080 /nfs/dbraw/zinc/87/00/80/1055870080.db2.gz FVYWGHPTXVTNHD-UHFFFAOYSA-N -1 3 323.179 4.224 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001569750103 1055871690 /nfs/dbraw/zinc/87/16/90/1055871690.db2.gz NBQOLHYVRNQAFP-OAHLLOKOSA-N -1 3 303.446 4.371 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(CC(C)(C)C)cs2)c([O-])c1C ZINC001597824332 1055879781 /nfs/dbraw/zinc/87/97/81/1055879781.db2.gz XZVFYFMHTNJFMC-UHFFFAOYSA-N -1 3 318.442 4.306 20 0 DIADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(F)c2ccccc21 ZINC001569964144 1055880368 /nfs/dbraw/zinc/88/03/68/1055880368.db2.gz CURSADDZYUXYEL-LBPRGKRZSA-N -1 3 309.340 4.176 20 0 DIADHM CC(C)c1ccc(C(=O)NCC(C)(C)C2=CCCC2)c([O-])c1 ZINC001570131425 1055887338 /nfs/dbraw/zinc/88/73/38/1055887338.db2.gz SNVCMLBDPSHDAF-UHFFFAOYSA-N -1 3 301.430 4.382 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1nccc(Cl)c1F ZINC001570403207 1055900961 /nfs/dbraw/zinc/90/09/61/1055900961.db2.gz GRXJNHCOWOJLAA-UHFFFAOYSA-N -1 3 310.781 4.157 20 0 DIADHM Cc1ccccc1C1(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001570629429 1055911228 /nfs/dbraw/zinc/91/12/28/1055911228.db2.gz KZYOMKUDQMDZGV-UHFFFAOYSA-N -1 3 323.417 4.334 20 0 DIADHM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC001598077829 1055912206 /nfs/dbraw/zinc/91/22/06/1055912206.db2.gz UPZWRPVDXWBWJR-BHEGOAEISA-N -1 3 323.477 4.194 20 0 DIADHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc([O-])c2ccccc2c1 ZINC001570696804 1055912857 /nfs/dbraw/zinc/91/28/57/1055912857.db2.gz KKWYTIVIPRGBEA-IEBWSBKVSA-N -1 3 317.388 4.079 20 0 DIADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccccc2-c2ccccc2)c1 ZINC001239508043 1055917529 /nfs/dbraw/zinc/91/75/29/1055917529.db2.gz QFCSMTBWFGHKNW-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccccc2-c2ccccc2)c1 ZINC001239508043 1055917543 /nfs/dbraw/zinc/91/75/43/1055917543.db2.gz QFCSMTBWFGHKNW-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC001598261455 1055931919 /nfs/dbraw/zinc/93/19/19/1055931919.db2.gz HOZQLPQXNLDYLB-HNNXBMFYSA-N -1 3 311.425 4.187 20 0 DIADHM Cc1ccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000066863020 1055984410 /nfs/dbraw/zinc/98/44/10/1055984410.db2.gz MXZDDFGNLTUFFW-UHFFFAOYSA-N -1 3 322.389 4.270 20 0 DIADHM Cc1ccc(C(=O)Nc2ncc(-c3ccccc3C)s2)c([O-])c1 ZINC001621037832 1055998915 /nfs/dbraw/zinc/99/89/15/1055998915.db2.gz CDZRXMCVBXCVBU-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001540315879 1056013991 /nfs/dbraw/zinc/01/39/91/1056013991.db2.gz ZIIUWLCJAVHLMR-UHFFFAOYSA-N -1 3 320.242 4.052 20 0 DIADHM O=C(CCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1[O-] ZINC000069693176 1056022867 /nfs/dbraw/zinc/02/28/67/1056022867.db2.gz DYTCKHQFHXVKFO-UHFFFAOYSA-N -1 3 314.772 4.098 20 0 DIADHM O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1[O-])CCCC2 ZINC001540438411 1056031343 /nfs/dbraw/zinc/03/13/43/1056031343.db2.gz HNOSTWRLQXLMIQ-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM O=C(Nc1cnc2ccccc2c1)c1cc2c(cc1[O-])CCCC2 ZINC001540624371 1056052069 /nfs/dbraw/zinc/05/20/69/1056052069.db2.gz YWKXMQORYDWWDD-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM CC(C)[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001540635218 1056054758 /nfs/dbraw/zinc/05/47/58/1056054758.db2.gz LIGUZLJEGCDRAD-INIZCTEOSA-N -1 3 303.789 4.173 20 0 DIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783228 1056069777 /nfs/dbraw/zinc/06/97/77/1056069777.db2.gz XHXSQMUDDQBSBP-MEBBXXQBSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC001540763344 1056074241 /nfs/dbraw/zinc/07/42/41/1056074241.db2.gz GFEVWNASLXYERM-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CCC[C@@](C)(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC001540786264 1056075973 /nfs/dbraw/zinc/07/59/73/1056075973.db2.gz TYLZRXQNJQNEDL-CQSZACIVSA-N -1 3 314.223 4.310 20 0 DIADHM CC1(C)CCC(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC001610971254 1056088329 /nfs/dbraw/zinc/08/83/29/1056088329.db2.gz HELRXLPDLPWFKI-UHFFFAOYSA-N -1 3 321.436 4.187 20 0 DIADHM COc1ccc2cc(-c3ccc(C)c(-c4nnn[n-]4)c3)ccc2c1 ZINC001239843192 1056104100 /nfs/dbraw/zinc/10/41/00/1056104100.db2.gz KPWPWRLYURYXKA-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc2cc(-c3ccc(C)c(-c4nn[n-]n4)c3)ccc2c1 ZINC001239843192 1056104107 /nfs/dbraw/zinc/10/41/07/1056104107.db2.gz KPWPWRLYURYXKA-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM CCc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001542375353 1056119433 /nfs/dbraw/zinc/11/94/33/1056119433.db2.gz UCXQATUGVRRSPR-IBGZPJMESA-N -1 3 321.420 4.247 20 0 DIADHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001542505406 1056128770 /nfs/dbraw/zinc/12/87/70/1056128770.db2.gz VBDJCAZNFQNEPT-NFAWXSAZSA-N -1 3 323.864 4.484 20 0 DIADHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001542505408 1056128818 /nfs/dbraw/zinc/12/88/18/1056128818.db2.gz VBDJCAZNFQNEPT-VNHYZAJKSA-N -1 3 323.864 4.484 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)c([O-])c1C ZINC001542682956 1056150646 /nfs/dbraw/zinc/15/06/46/1056150646.db2.gz ZFOAHBRTKASEIO-UHFFFAOYSA-N -1 3 324.355 4.191 20 0 DIADHM CCCCN(Cc1ccccc1F)C(=O)c1ccc(C)cc1[O-] ZINC001542731507 1056152354 /nfs/dbraw/zinc/15/23/54/1056152354.db2.gz GLGUXKCHNZLWRY-UHFFFAOYSA-N -1 3 315.388 4.282 20 0 DIADHM CSCCCCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001611538562 1056171606 /nfs/dbraw/zinc/17/16/06/1056171606.db2.gz XNJPTVGVXBDBQI-UHFFFAOYSA-N -1 3 309.475 4.169 20 0 DIADHM Cc1cccc2c1CCN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC001543128138 1056179821 /nfs/dbraw/zinc/17/98/21/1056179821.db2.gz GLHVQRZZLFJECT-UHFFFAOYSA-N -1 3 317.388 4.052 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c([O-])c1 ZINC001543180581 1056185179 /nfs/dbraw/zinc/18/51/79/1056185179.db2.gz GCNVWFMGBQRKSZ-LBPRGKRZSA-N -1 3 315.438 4.337 20 0 DIADHM CCCN(Cc1ccc(F)cc1F)C(=O)c1c(C)cccc1[O-] ZINC001543460524 1056228447 /nfs/dbraw/zinc/22/84/47/1056228447.db2.gz LAZPLPBTLJDCLG-UHFFFAOYSA-N -1 3 319.351 4.031 20 0 DIADHM C[C@H]1C[C@H](CNC(=O)CCCc2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC001584053389 1056248364 /nfs/dbraw/zinc/24/83/64/1056248364.db2.gz YAYUKHUPAUFQBO-FOLVSLTJSA-N -1 3 321.436 4.043 20 0 DIADHM Fc1ccc2[nH]ccc2c1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001240206225 1056365430 /nfs/dbraw/zinc/36/54/30/1056365430.db2.gz UPNBXCYFARGRTL-UHFFFAOYSA-N -1 3 313.279 4.072 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(F)cc2NC(C)C)c([O-])c1C ZINC001544133402 1056368286 /nfs/dbraw/zinc/36/82/86/1056368286.db2.gz LAGCVXSWNKSXTG-UHFFFAOYSA-N -1 3 316.376 4.221 20 0 DIADHM CCCc1sc(C(=O)NCc2ccc([O-])c(F)c2)cc1CC ZINC000303814017 1056422602 /nfs/dbraw/zinc/42/26/02/1056422602.db2.gz ODRMFRPSCNRHCS-UHFFFAOYSA-N -1 3 321.417 4.038 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c([O-])c1 ZINC001544562967 1056456419 /nfs/dbraw/zinc/45/64/19/1056456419.db2.gz VOHZHJUQYSRRGP-INIZCTEOSA-N -1 3 315.800 4.331 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1Cl ZINC000060372601 1056458200 /nfs/dbraw/zinc/45/82/00/1056458200.db2.gz LQGBDDDJZOPROB-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)c([O-])c1 ZINC001544793261 1056498740 /nfs/dbraw/zinc/49/87/40/1056498740.db2.gz FJCGCWSTWUQDDB-CYBMUJFWSA-N -1 3 315.388 4.188 20 0 DIADHM CCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC001585423540 1056551792 /nfs/dbraw/zinc/55/17/92/1056551792.db2.gz STAQDNSQBUXUHM-LJQANCHMSA-N -1 3 309.409 4.226 20 0 DIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000007052174 1056566345 /nfs/dbraw/zinc/56/63/45/1056566345.db2.gz IMNCHHXRWCKVOG-UHFFFAOYSA-N -1 3 317.454 4.338 20 0 DIADHM CCOc1c(Cl)cc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001240603443 1056610065 /nfs/dbraw/zinc/61/00/65/1056610065.db2.gz GSIGDFNBYINWQG-UHFFFAOYSA-N -1 3 301.198 4.138 20 0 DIADHM CC(C)N(Cc1ccco1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000355347892 1056617822 /nfs/dbraw/zinc/61/78/22/1056617822.db2.gz NUJFUWDHWSZYML-UHFFFAOYSA-N -1 3 309.365 4.189 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N(CC(F)F)CC1CCC1 ZINC000355395522 1056618135 /nfs/dbraw/zinc/61/81/35/1056618135.db2.gz QHYKUFQWCQCLEI-UHFFFAOYSA-N -1 3 319.351 4.053 20 0 DIADHM C[C@H]1c2ccccc2CN1C(=O)c1cc2sccc2c([O-])c1 ZINC001585805666 1056623731 /nfs/dbraw/zinc/62/37/31/1056623731.db2.gz YEWVKLODCZWQCH-NSHDSACASA-N -1 3 309.390 4.324 20 0 DIADHM O=C(Nc1scnc1C1CC1)c1cc([O-])c2ccccc2c1 ZINC000355587259 1056627703 /nfs/dbraw/zinc/62/77/03/1056627703.db2.gz LABKDEKRSSRFOS-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2CC)c([O-])c1 ZINC001586204686 1056692282 /nfs/dbraw/zinc/69/22/82/1056692282.db2.gz IKBRRCLITWUEPJ-GOSISDBHSA-N -1 3 309.409 4.104 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786762 1056697686 /nfs/dbraw/zinc/69/76/86/1056697686.db2.gz TWRXQDPRVUNBSA-HNNXBMFYSA-N -1 3 302.345 4.255 20 0 DIADHM COc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc([O-])c(F)c1 ZINC001240790476 1056701775 /nfs/dbraw/zinc/70/17/75/1056701775.db2.gz LZKWFGITPBPFEP-UHFFFAOYSA-N -1 3 318.344 4.162 20 0 DIADHM COc1cccc(-c2cc(Nc3cc(F)cc(F)c3[O-])on2)c1 ZINC001212477519 1056775506 /nfs/dbraw/zinc/77/55/06/1056775506.db2.gz HJGLZHVZZVSXBA-UHFFFAOYSA-N -1 3 318.279 4.078 20 0 DIADHM [O-]c1c(F)cc(F)cc1Nc1nc2ccccc2nc1Cl ZINC001212478149 1056778258 /nfs/dbraw/zinc/77/82/58/1056778258.db2.gz XPZFWRHCPKPVAT-UHFFFAOYSA-N -1 3 307.687 4.011 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001617132600 1056780138 /nfs/dbraw/zinc/78/01/38/1056780138.db2.gz RCGSCEJZCPZLEW-UHFFFAOYSA-N -1 3 309.409 4.201 20 0 DIADHM [O-]c1ccccc1-c1nc(C(F)(F)F)nc2ccc(F)cc21 ZINC001241003724 1056806066 /nfs/dbraw/zinc/80/60/66/1056806066.db2.gz SZZNKMIPAYQZCB-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM C[C@@H]1CCCCN1c1nc2ccccc2nc1-c1ccccc1[O-] ZINC001241007652 1056812097 /nfs/dbraw/zinc/81/20/97/1056812097.db2.gz GURVSWQCVUBIOB-CQSZACIVSA-N -1 3 319.408 4.381 20 0 DIADHM Fc1ccc(-c2ccc(=S)[n-]n2)cc1OCc1ccccc1 ZINC001241006973 1056812419 /nfs/dbraw/zinc/81/24/19/1056812419.db2.gz SPEMKLISFWDUJK-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM Cc1nc2c(s1)c(-c1ccccc1)nnc2-c1ccccc1[O-] ZINC001241008422 1056813641 /nfs/dbraw/zinc/81/36/41/1056813641.db2.gz GWFVLFOGQIPQLW-UHFFFAOYSA-N -1 3 319.389 4.434 20 0 DIADHM CCOC(=O)c1c(C)c2ccccc2nc1-c1ccccc1[O-] ZINC001241008592 1056813682 /nfs/dbraw/zinc/81/36/82/1056813682.db2.gz MGCALVRXZSSOFJ-UHFFFAOYSA-N -1 3 307.349 4.093 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccccn2)nc2sccc21 ZINC001241009468 1056814493 /nfs/dbraw/zinc/81/44/93/1056814493.db2.gz QTPGWKXILNNERK-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM Cc1ccc(-c2ncnc3sc4c(c32)CC[C@@H](C)C4)c([O-])c1 ZINC001241030638 1056830613 /nfs/dbraw/zinc/83/06/13/1056830613.db2.gz QEBVMHOQPCFBFF-LLVKDONJSA-N -1 3 310.422 4.497 20 0 DIADHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc2sccc2c([O-])c1 ZINC001617425183 1056831339 /nfs/dbraw/zinc/83/13/39/1056831339.db2.gz GDVDEFCTLIEQGP-YRGRVCCFSA-N -1 3 315.438 4.306 20 0 DIADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(Cl)s1 ZINC001617608700 1056857402 /nfs/dbraw/zinc/85/74/02/1056857402.db2.gz VLFTUCKVAIHLIY-LLVKDONJSA-N -1 3 309.818 4.297 20 0 DIADHM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001617681387 1056868264 /nfs/dbraw/zinc/86/82/64/1056868264.db2.gz TWOLJLBEAGCMCM-HNNXBMFYSA-N -1 3 311.425 4.444 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(F)cc(C(F)(F)F)c1 ZINC001241083414 1056875760 /nfs/dbraw/zinc/87/57/60/1056875760.db2.gz BVIILJYNEXOUAY-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(F)cc(C(F)(F)F)c1 ZINC001241083414 1056875764 /nfs/dbraw/zinc/87/57/64/1056875764.db2.gz BVIILJYNEXOUAY-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001618122067 1056925843 /nfs/dbraw/zinc/92/58/43/1056925843.db2.gz KEVCTOJDFXFBIT-NSHDSACASA-N -1 3 323.314 4.210 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3ccncc3)nc3ccccc32)c1 ZINC001241262778 1056985959 /nfs/dbraw/zinc/98/59/59/1056985959.db2.gz UIBCCZMMYSJRDV-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM COC(=O)c1cc2c(cccc2-c2cc([O-])cc(F)c2)s1 ZINC001241267473 1056988541 /nfs/dbraw/zinc/98/85/41/1056988541.db2.gz WEUNDNBXOROVBY-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241271232 1056989991 /nfs/dbraw/zinc/98/99/91/1056989991.db2.gz NMUKXMUZJOJYPD-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1ccc(-c2cc([O-])cc(F)c2)c(OC(F)(F)F)c1 ZINC001241272119 1056991181 /nfs/dbraw/zinc/99/11/81/1056991181.db2.gz ZJBNATKVFQMSGO-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241280928 1056994651 /nfs/dbraw/zinc/99/46/51/1056994651.db2.gz ZGNMPKRFMPNHFT-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COc1c(F)cc(-c2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC001241280942 1056994908 /nfs/dbraw/zinc/99/49/08/1056994908.db2.gz ZVFKVHFKKZUXOL-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1ccc(F)c(-c2cnc3[nH]cc(C(F)(F)F)c3c2)c1F ZINC001241294208 1057000798 /nfs/dbraw/zinc/00/07/98/1057000798.db2.gz XPDPIQDFSSDYFV-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM COc1ccc(C(F)(F)F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241293781 1057001394 /nfs/dbraw/zinc/00/13/94/1057001394.db2.gz BBHWDXPIWLEPQO-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1ccc(F)c(-c2ccc(O[C@@H]3CCCCO3)cc2F)c1F ZINC001241295140 1057002062 /nfs/dbraw/zinc/00/20/62/1057002062.db2.gz FPUCCNXXPUJVOJ-OAHLLOKOSA-N -1 3 324.298 4.382 20 0 DIADHM c1ccc2c(c1)[nH]c1ccc(-c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC001241443796 1057050434 /nfs/dbraw/zinc/05/04/34/1057050434.db2.gz ZYHMKXBWYBYKDM-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1ccc(-c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC001241443796 1057050443 /nfs/dbraw/zinc/05/04/43/1057050443.db2.gz ZYHMKXBWYBYKDM-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM CO[C@H](C)c1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242024089 1057241194 /nfs/dbraw/zinc/24/11/94/1057241194.db2.gz WNCVBHRNHVWMLK-MRVPVSSYSA-N -1 3 314.332 4.159 20 0 DIADHM COC(=O)c1cc(F)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157545 1057283192 /nfs/dbraw/zinc/28/31/92/1057283192.db2.gz IQEHZDXAOYESPO-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001242158104 1057283862 /nfs/dbraw/zinc/28/38/62/1057283862.db2.gz SHSODESQIYHSKZ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM O=C1Nc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2C12CC2 ZINC001242162002 1057284414 /nfs/dbraw/zinc/28/44/14/1057284414.db2.gz ISXJDPAFJNHWEJ-UHFFFAOYSA-N -1 3 319.282 4.062 20 0 DIADHM COCCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242158374 1057284422 /nfs/dbraw/zinc/28/44/22/1057284422.db2.gz VONOOYMXEOGFIX-UHFFFAOYSA-N -1 3 312.287 4.103 20 0 DIADHM COc1c(F)ccc(-c2ccc([O-])c(C(F)(F)F)c2)c1OC ZINC001242167729 1057285567 /nfs/dbraw/zinc/28/55/67/1057285567.db2.gz CJDJFDYOJLDACH-UHFFFAOYSA-N -1 3 316.250 4.234 20 0 DIADHM CC(=O)Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1C ZINC001242163090 1057285593 /nfs/dbraw/zinc/28/55/93/1057285593.db2.gz WYSGSXJOYXPQQJ-UHFFFAOYSA-N -1 3 309.287 4.345 20 0 DIADHM Cn1cncc1-c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242166317 1057285718 /nfs/dbraw/zinc/28/57/18/1057285718.db2.gz ORGMRDIWWRAJBF-UHFFFAOYSA-N -1 3 318.298 4.479 20 0 DIADHM 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ZINC001244471048 1057968841 /nfs/dbraw/zinc/96/88/41/1057968841.db2.gz BHSJSNVNTBDXGS-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM Cc1noc(-c2ccc(-c3ccc(Cl)cc3[O-])cc2)c1N ZINC001244472535 1057969309 /nfs/dbraw/zinc/96/93/09/1057969309.db2.gz PLAYKDMXGWASEQ-UHFFFAOYSA-N -1 3 300.745 4.258 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1cccnc1OCC(F)(F)F ZINC001244472546 1057969366 /nfs/dbraw/zinc/96/93/66/1057969366.db2.gz LGYLDSXBUGKBKZ-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM CCOC(=O)c1noc2cccc(-c3ccc(Cl)cc3[O-])c21 ZINC001244472000 1057969427 /nfs/dbraw/zinc/96/94/27/1057969427.db2.gz JNZKWJAFEHNUMG-UHFFFAOYSA-N -1 3 317.728 4.031 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc2nnc(-c3ccccc3)n2c1 ZINC001244472588 1057969449 /nfs/dbraw/zinc/96/94/49/1057969449.db2.gz MXKALNHFFDGUHL-UHFFFAOYSA-N -1 3 321.767 4.422 20 0 DIADHM CC1(C)C(=O)Nc2cc(F)c(-c3ccc(Cl)cc3[O-])cc21 ZINC001244471920 1057969465 /nfs/dbraw/zinc/96/94/65/1057969465.db2.gz GXAFKGMXALYJCW-UHFFFAOYSA-N -1 3 305.736 4.081 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1cccc(-c2cc[nH]c(=S)n2)c1 ZINC001244473090 1057969548 /nfs/dbraw/zinc/96/95/48/1057969548.db2.gz RKAZKCOGAAUPLF-UHFFFAOYSA-N -1 3 314.797 4.458 20 0 DIADHM CCOC(=O)CCc1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244474210 1057970072 /nfs/dbraw/zinc/97/00/72/1057970072.db2.gz YFMCDRLJNZJHEW-UHFFFAOYSA-N -1 3 304.773 4.208 20 0 DIADHM [O-]c1c(F)cc(-c2cc(N3CCCCC3)ccn2)cc1Cl ZINC001244501041 1057977347 /nfs/dbraw/zinc/97/73/47/1057977347.db2.gz PXBIRXKVIWDPCN-UHFFFAOYSA-N -1 3 306.768 4.237 20 0 DIADHM Cc1cc(-c2ccnc(CCc3ccccc3)n2)cc([O-])c1F ZINC001244505851 1057979836 /nfs/dbraw/zinc/97/98/36/1057979836.db2.gz CYHSZQSFXHFQED-UHFFFAOYSA-N -1 3 308.356 4.082 20 0 DIADHM Cc1cc(-c2ncnc3sc4c(c32)CCCC4)cc([O-])c1F ZINC001244507901 1057980370 /nfs/dbraw/zinc/98/03/70/1057980370.db2.gz ZVDRTAMRVYUDNP-UHFFFAOYSA-N -1 3 314.385 4.390 20 0 DIADHM CSc1ccc2ncnc(-c3cc(C)c(F)c([O-])c3)c2c1 ZINC001244506536 1057980388 /nfs/dbraw/zinc/98/03/88/1057980388.db2.gz GIOKVWQHFLNKBP-UHFFFAOYSA-N -1 3 300.358 4.172 20 0 DIADHM Cc1csc(-c2cc(C)nnc2-c2cc(C)c(F)c([O-])c2)n1 ZINC001244506742 1057980525 /nfs/dbraw/zinc/98/05/25/1057980525.db2.gz ITTQAQQSYWUOMM-UHFFFAOYSA-N -1 3 315.373 4.037 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)ccc(Cl)c1Cl ZINC001244510315 1057981730 /nfs/dbraw/zinc/98/17/30/1057981730.db2.gz JHUNZEAOTKIETN-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)ccc(Cl)c1Cl ZINC001244510315 1057981732 /nfs/dbraw/zinc/98/17/32/1057981732.db2.gz JHUNZEAOTKIETN-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM O=C([O-])c1cc(Cl)c(-c2c[nH]cc3ccnc2-3)c(Cl)c1 ZINC001244513206 1057982641 /nfs/dbraw/zinc/98/26/41/1057982641.db2.gz AYVUXDXPOPWXMM-UHFFFAOYSA-N -1 3 307.136 4.235 20 0 DIADHM Cc1cc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc([O-])c1F ZINC001244515753 1057983247 /nfs/dbraw/zinc/98/32/47/1057983247.db2.gz MJXANYHRAGBWLU-UHFFFAOYSA-N -1 3 318.348 4.249 20 0 DIADHM CCOC(=O)/C=C/c1cccc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244520936 1057984490 /nfs/dbraw/zinc/98/44/90/1057984490.db2.gz OTQAXIOYXKIBDZ-BQYQJAHWSA-N -1 3 300.329 4.083 20 0 DIADHM COc1cc(-c2cc(C)c(F)c([O-])c2)ccc1OC(F)(F)F ZINC001244530338 1057987300 /nfs/dbraw/zinc/98/73/00/1057987300.db2.gz LHOPJSBAXYNCDW-UHFFFAOYSA-N -1 3 316.250 4.414 20 0 DIADHM COC(=O)c1cc2c(cccc2-c2cc(C)c([O-])c(Cl)c2)[nH]1 ZINC001244537610 1057989001 /nfs/dbraw/zinc/98/90/01/1057989001.db2.gz NTTWYGPLLCCDQJ-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM CC(=O)N1CCCc2ccc(-c3cc(C)c([O-])c(Cl)c3)cc21 ZINC001244538707 1057989743 /nfs/dbraw/zinc/98/97/43/1057989743.db2.gz OUJXXPZIHBJETM-UHFFFAOYSA-N -1 3 315.800 4.320 20 0 DIADHM Cc1cc(-c2cncc(C(=O)OC(C)(C)C)c2)cc(Cl)c1[O-] ZINC001244538213 1057990007 /nfs/dbraw/zinc/99/00/07/1057990007.db2.gz SFZBFWGPTRAGLF-UHFFFAOYSA-N -1 3 319.788 4.371 20 0 DIADHM CCOC(=O)Cc1ccccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244538043 1057990030 /nfs/dbraw/zinc/99/00/30/1057990030.db2.gz IYGHDBXBULYKPZ-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM Cc1cc(-c2cccc(C(=O)N3CCCC3)c2)cc(Cl)c1[O-] ZINC001244548229 1057992719 /nfs/dbraw/zinc/99/27/19/1057992719.db2.gz YNUCYJSLSWMZKC-UHFFFAOYSA-N -1 3 315.800 4.257 20 0 DIADHM Cc1cc(-c2ccc(C3OCCO3)c(F)c2)cc(Cl)c1[O-] ZINC001244548212 1057992752 /nfs/dbraw/zinc/99/27/52/1057992752.db2.gz XXPTZCBODNYJBE-UHFFFAOYSA-N -1 3 308.736 4.206 20 0 DIADHM COC(=O)c1cc(F)cc(-c2cc(C)c([O-])c(Cl)c2)c1C ZINC001244550966 1057993786 /nfs/dbraw/zinc/99/37/86/1057993786.db2.gz PRMMCGJODDECMQ-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM COc1cc(-n2ccnc2)ccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244554726 1057994250 /nfs/dbraw/zinc/99/42/50/1057994250.db2.gz MYOWNEFRSDGUHR-UHFFFAOYSA-N -1 3 314.772 4.215 20 0 DIADHM CCOC(=O)c1c(OC)cccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244553061 1057994454 /nfs/dbraw/zinc/99/44/54/1057994454.db2.gz BVFAHUMPIODAQA-UHFFFAOYSA-N -1 3 320.772 4.206 20 0 DIADHM Cc1cc(-c2cccc3c2NC(=O)NC3(C)C)cc(Cl)c1[O-] ZINC001244555697 1057994785 /nfs/dbraw/zinc/99/47/85/1057994785.db2.gz REDVEVKSEUZSBS-UHFFFAOYSA-N -1 3 316.788 4.391 20 0 DIADHM Cc1cc(-c2cc(N3CCCCC3)ccn2)cc(C)c1C(=O)[O-] ZINC001244944003 1058077543 /nfs/dbraw/zinc/07/75/43/1058077543.db2.gz CLFDGQUTBPENKG-UHFFFAOYSA-N -1 3 310.397 4.054 20 0 DIADHM O=C([O-])c1cc(-c2c[nH]cc3ccnc2-3)c(Cl)cc1Cl ZINC001245000691 1058089316 /nfs/dbraw/zinc/08/93/16/1058089316.db2.gz KFZBJHCIIOLVSP-UHFFFAOYSA-N -1 3 307.136 4.235 20 0 DIADHM COC(=O)c1ccc(-c2cc(Cl)ccc2[O-])c2ncccc12 ZINC001245051306 1058103281 /nfs/dbraw/zinc/10/32/81/1058103281.db2.gz XNJQGJKMXQOQQY-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM COC(=O)c1nc2c(cccc2-c2cc(Cl)ccc2[O-])s1 ZINC001245053254 1058103964 /nfs/dbraw/zinc/10/39/64/1058103964.db2.gz ZZXZRXBUSJVHFU-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM CC[C@@H](C)c1nc2[nH]ccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245078804 1058107470 /nfs/dbraw/zinc/10/74/70/1058107470.db2.gz HPADBRSPCDYYKH-SECBINFHSA-N -1 3 301.777 4.449 20 0 DIADHM COC(=O)c1cccc2cnc(-c3ccc([O-])cc3Cl)cc21 ZINC001245077839 1058107979 /nfs/dbraw/zinc/10/79/79/1058107979.db2.gz FXPPAFNJAFZVNC-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM [O-]c1ccc(-c2cc(-c3ccc(F)cc3)ncn2)c(Cl)c1 ZINC001245080308 1058108432 /nfs/dbraw/zinc/10/84/32/1058108432.db2.gz ZAJSLVBPTUESHK-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM [O-]c1ccc(-c2ncncc2OCc2ccccc2)c(Cl)c1 ZINC001245082044 1058108484 /nfs/dbraw/zinc/10/84/84/1058108484.db2.gz QHGQIAGQTOFJFS-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM Cc1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)c1Cl ZINC001245094162 1058111601 /nfs/dbraw/zinc/11/16/01/1058111601.db2.gz YXHJIQVEAFNROR-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1ccc(-c2ccccc2-c2nn[n-]n2)c(Cl)c1Cl ZINC001245094162 1058111603 /nfs/dbraw/zinc/11/16/03/1058111603.db2.gz YXHJIQVEAFNROR-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cccc2[nH]c(-c3cc(C(F)(F)F)[n-]c(=S)n3)cc21 ZINC001245343592 1058147934 /nfs/dbraw/zinc/14/79/34/1058147934.db2.gz REAFYTQWLCNJIV-UHFFFAOYSA-N -1 3 309.316 4.241 20 0 DIADHM COC(=O)c1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(C)cc1C ZINC001245556447 1058231465 /nfs/dbraw/zinc/23/14/65/1058231465.db2.gz WDCYKLGCOJOSGY-UHFFFAOYSA-N -1 3 311.406 4.052 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(O[C@H]2CCCCO2)cc1F ZINC001245658051 1058312882 /nfs/dbraw/zinc/31/28/82/1058312882.db2.gz YCOPPYLQTYBCPN-INIZCTEOSA-N -1 3 306.308 4.243 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3c([O-])cccc3F)cc2)CCC1 ZINC001245657053 1058313376 /nfs/dbraw/zinc/31/33/76/1058313376.db2.gz PDYXDFLFZDDMGL-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM CC(C)(C)OC(=O)Cc1cccc(-c2c([O-])cccc2F)c1 ZINC001245657969 1058313511 /nfs/dbraw/zinc/31/35/11/1058313511.db2.gz VWFWEGMGYXBRKB-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM CCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCCC1 ZINC001566696527 1058501325 /nfs/dbraw/zinc/50/13/25/1058501325.db2.gz XCLQHEROKBJTLA-UHFFFAOYSA-N -1 3 315.335 4.224 20 0 DIADHM CC(C)(CC(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001556081558 1058538553 /nfs/dbraw/zinc/53/85/53/1058538553.db2.gz CEGRZTHZIVYVLQ-UHFFFAOYSA-N -1 3 303.789 4.352 20 0 DIADHM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081535 1058539590 /nfs/dbraw/zinc/53/95/90/1058539590.db2.gz BHTGWRGFDWMZSP-UHFFFAOYSA-N -1 3 307.777 4.497 20 0 DIADHM CC(C)c1ccc(CCC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC001556153363 1058551270 /nfs/dbraw/zinc/55/12/70/1058551270.db2.gz VFXOOQNTOHTSJR-UHFFFAOYSA-N -1 3 315.388 4.130 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)c1[O-] ZINC001556415927 1058589218 /nfs/dbraw/zinc/58/92/18/1058589218.db2.gz HPLTXNGWQMQGKT-MRXNPFEDSA-N -1 3 309.409 4.491 20 0 DIADHM CC1CCC(C)(CNC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001556479326 1058600256 /nfs/dbraw/zinc/60/02/56/1058600256.db2.gz BRSZDGBXNSVBNO-UHFFFAOYSA-N -1 3 311.425 4.492 20 0 DIADHM CCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(C)(C)C ZINC001556658786 1058623790 /nfs/dbraw/zinc/62/37/90/1058623790.db2.gz JZLDMSHMJJHGRN-MRXNPFEDSA-N -1 3 309.425 4.185 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC001556803624 1058644396 /nfs/dbraw/zinc/64/43/96/1058644396.db2.gz HBTIMRLDUOWDAU-AWEZNQCLSA-N -1 3 307.459 4.043 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)C2CCCCC2)c1[O-] ZINC001556853682 1058655786 /nfs/dbraw/zinc/65/57/86/1058655786.db2.gz QHCTWTNZRKWKNP-GFCCVEGCSA-N -1 3 303.402 4.140 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC001556866210 1058661561 /nfs/dbraw/zinc/66/15/61/1058661561.db2.gz ZIBAOCKUDJCVHX-ZDUSSCGKSA-N -1 3 323.367 4.484 20 0 DIADHM CCc1ccc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c([O-])c1 ZINC001556954186 1058675185 /nfs/dbraw/zinc/67/51/85/1058675185.db2.gz CBYPRHXOAVFRFN-SFHVURJKSA-N -1 3 315.457 4.386 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001557081544 1058694832 /nfs/dbraw/zinc/69/48/32/1058694832.db2.gz GJWZQMKMDUUXBL-HOTGVXAUSA-N -1 3 303.446 4.241 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCCC[C@H]1C1CCC1 ZINC001557366685 1058739636 /nfs/dbraw/zinc/73/96/36/1058739636.db2.gz GROFPNAVOKALFP-SFHVURJKSA-N -1 3 309.409 4.340 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC(C3CCCCC3)CC2)c1 ZINC001557383848 1058740598 /nfs/dbraw/zinc/74/05/98/1058740598.db2.gz YKSLDCQGKVRSOL-UHFFFAOYSA-N -1 3 315.457 4.387 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC001557559094 1058768399 /nfs/dbraw/zinc/76/83/99/1058768399.db2.gz SFKDEIUCHNCQSP-CYBMUJFWSA-N -1 3 315.438 4.259 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)ccc(F)c1Cl ZINC001521170864 1058772953 /nfs/dbraw/zinc/77/29/53/1058772953.db2.gz FSLQJASLUJDMEF-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC001557872648 1058802405 /nfs/dbraw/zinc/80/24/05/1058802405.db2.gz HIEUREQMLSXFNO-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM O=C(O[C@@H]1CCSc2ccccc21)c1cccc(Cl)c1[O-] ZINC001521455579 1058876353 /nfs/dbraw/zinc/87/63/53/1058876353.db2.gz OORIJSXSPWJYKT-CYBMUJFWSA-N -1 3 320.797 4.440 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001558599586 1058890078 /nfs/dbraw/zinc/89/00/78/1058890078.db2.gz FVSFQLFSZMKGGU-QGZVFWFLSA-N -1 3 323.436 4.357 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001558722775 1058903892 /nfs/dbraw/zinc/90/38/92/1058903892.db2.gz FJQQSIGIYCZIBS-CYBMUJFWSA-N -1 3 321.376 4.045 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@](C)(CC)C2)c([O-])c1 ZINC001558940579 1058923963 /nfs/dbraw/zinc/92/39/63/1058923963.db2.gz AOWAASVSZBHXFR-IBGZPJMESA-N -1 3 319.445 4.223 20 0 DIADHM CCCCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001558976608 1058932087 /nfs/dbraw/zinc/93/20/87/1058932087.db2.gz MCUSDODSRGEHAD-UHFFFAOYSA-N -1 3 312.373 4.127 20 0 DIADHM O=C([N-]c1nsc2ccccc12)c1ocnc1-c1ccccc1 ZINC001530330581 1059015368 /nfs/dbraw/zinc/01/53/68/1059015368.db2.gz GCGASNROXFRRMD-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)ccc(F)c1Cl ZINC001522145503 1059054348 /nfs/dbraw/zinc/05/43/48/1059054348.db2.gz PRHHGCBETDEHPF-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM Cc1ccc(SCc2nnc(-c3ccccc3[O-])o2)s1 ZINC001559426204 1059223024 /nfs/dbraw/zinc/22/30/24/1059223024.db2.gz IXTGXJGJLJWMAR-UHFFFAOYSA-N -1 3 304.396 4.104 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1Cl)c1ocnc1C(F)F ZINC001523522627 1059272464 /nfs/dbraw/zinc/27/24/64/1059272464.db2.gz FANLBZVBYFKGPN-UHFFFAOYSA-N -1 3 307.083 4.171 20 0 DIADHM Cc1cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)ccc1Cl ZINC001247564786 1059546640 /nfs/dbraw/zinc/54/66/40/1059546640.db2.gz LJCCTAIAYWIOBX-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1ccc(Cl)c(-c2noc(Cc3ccc([O-])cc3F)n2)c1 ZINC001248142759 1059738598 /nfs/dbraw/zinc/73/85/98/1059738598.db2.gz YIHJGEJOMKVULM-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM COc1ccc(C)cc1NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001249669337 1060341806 /nfs/dbraw/zinc/34/18/06/1060341806.db2.gz VDEAEJLDIMKVBJ-UHFFFAOYSA-N -1 3 322.817 4.172 20 0 DIADHM Cc1cc(C)c(NC(=S)Nc2ccc([O-])c(F)c2)c(C)c1 ZINC001249732664 1060377927 /nfs/dbraw/zinc/37/79/27/1060377927.db2.gz ALIGQJDDTWGLCY-UHFFFAOYSA-N -1 3 304.390 4.265 20 0 DIADHM O=c1cc(Nc2cc3c(cccc3Cl)[nH]2)[n-]n1-c1ccccc1 ZINC001249859233 1060424885 /nfs/dbraw/zinc/42/48/85/1060424885.db2.gz BHHLKHGKBDPLBP-UHFFFAOYSA-N -1 3 324.771 4.456 20 0 DIADHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cccc2ccoc21 ZINC001249915243 1060477269 /nfs/dbraw/zinc/47/72/69/1060477269.db2.gz WGJCECWZEBRWOF-UHFFFAOYSA-N -1 3 312.325 4.219 20 0 DIADHM O=c1[nH]cc(Nc2cc(Cl)c([O-])cc2F)cc1C(F)(F)F ZINC001250023733 1060547381 /nfs/dbraw/zinc/54/73/81/1060547381.db2.gz YKNSNYLGKWKORA-UHFFFAOYSA-N -1 3 322.645 4.048 20 0 DIADHM Cc1c(C)n(-c2cc(Cl)c([O-])cc2F)c2c1cccc2N ZINC001250026617 1060554054 /nfs/dbraw/zinc/55/40/54/1060554054.db2.gz QVTVYAPOCBSBAJ-UHFFFAOYSA-N -1 3 304.752 4.328 20 0 DIADHM Nc1cc(Cl)cc2c1ccn2-c1cc(Cl)c([O-])cc1F ZINC001250026411 1060554468 /nfs/dbraw/zinc/55/44/68/1060554468.db2.gz MNCJNGMVMOPQHT-UHFFFAOYSA-N -1 3 311.143 4.364 20 0 DIADHM COc1cc(OC)c(Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001250097607 1060604658 /nfs/dbraw/zinc/60/46/58/1060604658.db2.gz QTIUGLZDEVFAJP-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM Cc1cc(CCCn2c(=O)[nH]c3ccccc32)cc(Cl)c1[O-] ZINC001250179309 1060659266 /nfs/dbraw/zinc/65/92/66/1060659266.db2.gz BNHLDWCOJSJRAA-UHFFFAOYSA-N -1 3 316.788 4.042 20 0 DIADHM COc1c(F)c(Cl)ccc1Nc1ccc([O-])c(F)c1F ZINC001250190755 1060668721 /nfs/dbraw/zinc/66/87/21/1060668721.db2.gz BRJKKRGBQWYRIU-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(Cn3ccnc3)c2)c1Cl ZINC001250233370 1060714837 /nfs/dbraw/zinc/71/48/37/1060714837.db2.gz OAYFVMLHDFIWPU-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM [O-]c1ccc(Cl)c(Cc2cccc(OC(F)F)c2)c1F ZINC001250268834 1060744949 /nfs/dbraw/zinc/74/49/49/1060744949.db2.gz HKVIXIUJNLUMGQ-UHFFFAOYSA-N -1 3 302.679 4.377 20 0 DIADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1CC ZINC001250284603 1060755287 /nfs/dbraw/zinc/75/52/87/1060755287.db2.gz PDDATKFGJSDQHN-UHFFFAOYSA-N -1 3 323.396 4.283 20 0 DIADHM Cc1ccc(Nc2ccc(CO)c(F)c2Cl)c(Cl)c1[O-] ZINC001250301783 1060769216 /nfs/dbraw/zinc/76/92/16/1060769216.db2.gz HTALQLZSWJDNNP-UHFFFAOYSA-N -1 3 316.159 4.382 20 0 DIADHM CCCOc1c(F)cc(F)c(C=C([O-])c2cccs2)c1F ZINC001250307195 1060771184 /nfs/dbraw/zinc/77/11/84/1060771184.db2.gz RPRAZWILFNDMEF-UHFFFAOYSA-N -1 3 314.328 4.380 20 0 DIADHM COc1ccc(F)c(Nc2cc([O-])c(F)cc2F)c1Cl ZINC001250306804 1060771971 /nfs/dbraw/zinc/77/19/71/1060771971.db2.gz ZEOOZBDUYMEPCG-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM Cc1ccc(Cl)c2[n-]c(-c3cc4ccccc4[nH]c3=O)nc21 ZINC001250645463 1060985415 /nfs/dbraw/zinc/98/54/15/1060985415.db2.gz PNTZQTOZCDTVEZ-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM Cc1ccc(Cl)c2nc(-c3cc4ccccc4[nH]c3=O)[n-]c21 ZINC001250645463 1060985440 /nfs/dbraw/zinc/98/54/40/1060985440.db2.gz PNTZQTOZCDTVEZ-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM CC[C@H](C)[C@@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001462235063 1061046238 /nfs/dbraw/zinc/04/62/38/1061046238.db2.gz NJQSFXXLRRYLIZ-NWDGAFQWSA-N -1 3 316.367 4.020 20 0 DIADHM [O-]c1ccc(F)cc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC001250837028 1061088361 /nfs/dbraw/zinc/08/83/61/1061088361.db2.gz ASZFDEPBVMYGLE-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CC(C)(C)n1c2ccc(F)cc2nc1-c1cc(F)ccc1[O-] ZINC001250837818 1061089664 /nfs/dbraw/zinc/08/96/64/1061089664.db2.gz MTPUMSCHLTZCJN-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM CCCn1c(-c2ccc([O-])cc2F)nc2ccc(F)c(F)c21 ZINC001250846388 1061093516 /nfs/dbraw/zinc/09/35/16/1061093516.db2.gz WMEGYSUVAKJCSS-UHFFFAOYSA-N -1 3 306.287 4.236 20 0 DIADHM COc1cc(Cl)cc2[nH]c(-c3c([O-])cccc3Cl)nc21 ZINC001250863918 1061100782 /nfs/dbraw/zinc/10/07/82/1061100782.db2.gz PIOJGGLWTJCCRD-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001250871972 1061102451 /nfs/dbraw/zinc/10/24/51/1061102451.db2.gz IJLJDUQBLCOPII-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM COc1cccc2c1nc(-c1c(Cl)cc([O-])cc1Cl)n2C ZINC001250956661 1061145232 /nfs/dbraw/zinc/14/52/32/1061145232.db2.gz IDHVVYLBCNUAED-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM [O-]c1cc(F)c(F)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001250967655 1061153632 /nfs/dbraw/zinc/15/36/32/1061153632.db2.gz YVZDAMOQICQGPP-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3occc3Br)[n-]c21 ZINC001250979745 1061157839 /nfs/dbraw/zinc/15/78/39/1061157839.db2.gz QWXVHBBEESZHOX-UHFFFAOYSA-N -1 3 317.064 4.003 20 0 DIADHM Fc1cc(F)c(F)c2[n-]c(-c3occc3Br)nc21 ZINC001250979745 1061157851 /nfs/dbraw/zinc/15/78/51/1061157851.db2.gz QWXVHBBEESZHOX-UHFFFAOYSA-N -1 3 317.064 4.003 20 0 DIADHM CC(=O)c1ccc2c(c1)nc(-c1cc(Cl)c(C)cc1[O-])n2C ZINC001251047488 1061199912 /nfs/dbraw/zinc/19/99/12/1061199912.db2.gz FFVALRYANQPTKO-UHFFFAOYSA-N -1 3 314.772 4.110 20 0 DIADHM [O-]c1c(Cl)cccc1-c1nc2ccc(N3CCCC3)cc2[nH]1 ZINC001251051354 1061203907 /nfs/dbraw/zinc/20/39/07/1061203907.db2.gz GJTYZLDTMJKEEX-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM O=C(CCCc1ccccc1Cl)[N-]OCCCC(F)(F)F ZINC001455075839 1061205124 /nfs/dbraw/zinc/20/51/24/1061205124.db2.gz BGKDMUPWTMSRQL-UHFFFAOYSA-N -1 3 323.742 4.053 20 0 DIADHM O=C(Nc1ccc(C2CC2)cc1F)c1cc([O-])ccc1Cl ZINC001455086346 1061205170 /nfs/dbraw/zinc/20/51/70/1061205170.db2.gz QWLOTAOFOYDWTI-UHFFFAOYSA-N -1 3 305.736 4.314 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(Cl)ccc3[nH]2)cc1Cl ZINC001251082365 1061225586 /nfs/dbraw/zinc/22/55/86/1061225586.db2.gz GFRKRUWJIKXEIV-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc([O-])c(-c2nc3c(cccc3Cl)[nH]2)cc1Cl ZINC001251081978 1061226464 /nfs/dbraw/zinc/22/64/64/1061226464.db2.gz ARTIPMZLODQEDF-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(F)c(C)cc3[nH]2)cc1Cl ZINC001251083203 1061227154 /nfs/dbraw/zinc/22/71/54/1061227154.db2.gz RGAIEYARRPNWNL-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(F)cc(C)c3[nH]2)cc1Cl ZINC001251083025 1061227791 /nfs/dbraw/zinc/22/77/91/1061227791.db2.gz MTWVHJGEHMHJIF-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3sc(C)nc3c2)c1 ZINC001456100855 1061269918 /nfs/dbraw/zinc/26/99/18/1061269918.db2.gz HKBONEPOGFNYQJ-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM [O-]c1cccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1F ZINC001251255678 1061290938 /nfs/dbraw/zinc/29/09/38/1061290938.db2.gz UAKMIXQOKUCDKJ-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(F)c(Cl)cc2OC)c([O-])c1 ZINC001456284474 1061293154 /nfs/dbraw/zinc/29/31/54/1061293154.db2.gz YNANZLRZRZFBLR-UHFFFAOYSA-N -1 3 323.751 4.008 20 0 DIADHM COc1ccc(-c2nc3c(ccc(C)c3F)[nH]2)c(Cl)c1[O-] ZINC001251335357 1061318026 /nfs/dbraw/zinc/31/80/26/1061318026.db2.gz CXGQDOBCFNOPFP-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC(CC2CCCCC2)CC1 ZINC001456493738 1061323209 /nfs/dbraw/zinc/32/32/09/1061323209.db2.gz KVWDFRLHUASBRE-UHFFFAOYSA-N -1 3 301.430 4.215 20 0 DIADHM CC[C@@H]1CCCc2sc(NC(=O)c3cccc(C)c3[O-])nc21 ZINC001456725199 1061363588 /nfs/dbraw/zinc/36/35/88/1061363588.db2.gz RQTKZEYVPYGBJL-LLVKDONJSA-N -1 3 316.426 4.239 20 0 DIADHM [O-]c1cc(Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251491295 1061378958 /nfs/dbraw/zinc/37/89/58/1061378958.db2.gz NLDPKUJWAUVBEW-UHFFFAOYSA-N -1 3 321.163 4.177 20 0 DIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c(C)c1 ZINC001251496185 1061380952 /nfs/dbraw/zinc/38/09/52/1061380952.db2.gz AFVDKFFTYMITDR-UHFFFAOYSA-N -1 3 317.454 4.338 20 0 DIADHM CCC[C@@](C)(NC(=O)c1cccc(CC)c1[O-])c1ccccc1 ZINC001457121775 1061410477 /nfs/dbraw/zinc/41/04/77/1061410477.db2.gz FYGVKVRMNCPCHD-HXUWFJFHSA-N -1 3 311.425 4.400 20 0 DIADHM Cc1ccc2nc(-c3c(Cl)c4ccccc4[nH]c3=O)[n-]c2c1 ZINC001251609962 1061416158 /nfs/dbraw/zinc/41/61/58/1061416158.db2.gz HTVZOPCWEYZMDP-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM Cc1ccc2[n-]c(-c3c(Cl)c4ccccc4[nH]c3=O)nc2c1 ZINC001251609962 1061416174 /nfs/dbraw/zinc/41/61/74/1061416174.db2.gz HTVZOPCWEYZMDP-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM CCCCC[C@@H](C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1)C(C)C ZINC001457682026 1061483796 /nfs/dbraw/zinc/48/37/96/1061483796.db2.gz BGBUCVLOILEJDU-CYBMUJFWSA-N -1 3 318.421 4.164 20 0 DIADHM CC(C)(Cc1ccc(Cl)cc1)C(=O)[N-]OCc1ccccc1 ZINC001463934851 1061538024 /nfs/dbraw/zinc/53/80/24/1061538024.db2.gz LUQGPRNONFMCPD-UHFFFAOYSA-N -1 3 317.816 4.157 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c([O-])c1 ZINC001463971517 1061539400 /nfs/dbraw/zinc/53/94/00/1061539400.db2.gz QLRGQQOTAJOKGO-GOSISDBHSA-N -1 3 309.409 4.275 20 0 DIADHM Cc1c(Cl)cc(NC[C@@H](O)c2ccccc2)c([O-])c1Cl ZINC001251999905 1061551419 /nfs/dbraw/zinc/55/14/19/1061551419.db2.gz XPPCFKSCUZUBAF-CYBMUJFWSA-N -1 3 312.196 4.153 20 0 DIADHM O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccccc1[O-] ZINC001464159322 1061561249 /nfs/dbraw/zinc/56/12/49/1061561249.db2.gz RLVCIZFCQWJKCB-IBGZPJMESA-N -1 3 321.351 4.051 20 0 DIADHM CCCCC1CCC(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001464453131 1061597272 /nfs/dbraw/zinc/59/72/72/1061597272.db2.gz SHVWYOYTVRYGMT-UHFFFAOYSA-N -1 3 321.436 4.187 20 0 DIADHM Cc1ccc(C(=O)Nc2cnccc2Oc2ccccc2)c([O-])c1 ZINC001464556051 1061604106 /nfs/dbraw/zinc/60/41/06/1061604106.db2.gz ZRLCVEXCAFZPOR-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1ccccc1[O-] ZINC001464539398 1061604448 /nfs/dbraw/zinc/60/44/48/1061604448.db2.gz ZBFHVWQRFWWLOA-CQSZACIVSA-N -1 3 315.388 4.015 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)nc1 ZINC001252524598 1061657726 /nfs/dbraw/zinc/65/77/26/1061657726.db2.gz YURLGHXQXDNAJA-UHFFFAOYSA-N -1 3 315.332 4.171 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc4cc(O)ccc4cc3[O-])o2)cc1 ZINC001252625221 1061682330 /nfs/dbraw/zinc/68/23/30/1061682330.db2.gz VFTHYHRDXOLRJQ-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2CC(C)C)cc1[O-] ZINC001465275545 1061725245 /nfs/dbraw/zinc/72/52/45/1061725245.db2.gz PONDANIHQQCTLW-MRXNPFEDSA-N -1 3 317.429 4.026 20 0 DIADHM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccccc2[O-])c1 ZINC001465299043 1061727371 /nfs/dbraw/zinc/72/73/71/1061727371.db2.gz AOCOXWYJYFMKDA-SFHVURJKSA-N -1 3 309.409 4.458 20 0 DIADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465528651 1061769342 /nfs/dbraw/zinc/76/93/42/1061769342.db2.gz WQYCQZQCFIDNSG-MAUKXSAKSA-N -1 3 323.436 4.244 20 0 DIADHM C[C@H](c1ccccc1)n1cc([N-]c2nc3ccccc3o2)cn1 ZINC001458452983 1061770948 /nfs/dbraw/zinc/77/09/48/1061770948.db2.gz MUWXKADDIWWBBG-CYBMUJFWSA-N -1 3 304.353 4.377 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1 ZINC001465671065 1061792395 /nfs/dbraw/zinc/79/23/95/1061792395.db2.gz XBTJXXLLBXALDL-RISCZKNCSA-N -1 3 307.459 4.059 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1 ZINC001465671063 1061792851 /nfs/dbraw/zinc/79/28/51/1061792851.db2.gz XBTJXXLLBXALDL-BXUZGUMPSA-N -1 3 307.459 4.059 20 0 DIADHM CCSc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC001474247981 1061817169 /nfs/dbraw/zinc/81/71/69/1061817169.db2.gz LUBOJLOXVAHYPE-UHFFFAOYSA-N -1 3 307.846 4.447 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001465818020 1061817706 /nfs/dbraw/zinc/81/77/06/1061817706.db2.gz QVRNQZBKRWMTLK-UHFFFAOYSA-N -1 3 303.446 4.283 20 0 DIADHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001465949570 1061849041 /nfs/dbraw/zinc/84/90/41/1061849041.db2.gz PDRYMCRVYSYWLD-SWLSCSKDSA-N -1 3 307.459 4.155 20 0 DIADHM CCCCC[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001466009217 1061860313 /nfs/dbraw/zinc/86/03/13/1061860313.db2.gz LSEPKRCANPFRIX-ZDUSSCGKSA-N -1 3 307.459 4.299 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1[O-] ZINC001466225841 1061900318 /nfs/dbraw/zinc/90/03/18/1061900318.db2.gz XBFBGRTYTRXIPR-UHFFFAOYSA-N -1 3 313.397 4.344 20 0 DIADHM O=C(Cc1ccc(C2CCC2)cc1)Nc1cc(Cl)ccc1[O-] ZINC001466261759 1061905518 /nfs/dbraw/zinc/90/55/18/1061905518.db2.gz NYEFLIUUROPEPK-UHFFFAOYSA-N -1 3 315.800 4.494 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cscc1C(F)F ZINC001466261407 1061907429 /nfs/dbraw/zinc/90/74/29/1061907429.db2.gz JQIOTHLEOPBAFW-UHFFFAOYSA-N -1 3 303.717 4.297 20 0 DIADHM O=c1cc(CSc2ccccc2F)nc(-c2ccccc2)[n-]1 ZINC001458887530 1061931343 /nfs/dbraw/zinc/93/13/43/1061931343.db2.gz LBMVFRBIFCXWSJ-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM CCCCC[C@@H](C)CC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466542626 1061960550 /nfs/dbraw/zinc/96/05/50/1061960550.db2.gz ZIAJKPJOOSCESJ-CYBMUJFWSA-N -1 3 321.417 4.114 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(C(F)F)c1F ZINC001466631861 1061976463 /nfs/dbraw/zinc/97/64/63/1061976463.db2.gz ZGFZVRHXCSOGTM-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM CCc1cc2c(CSC/C(C)=C/Cl)cc(=O)oc2cc1[O-] ZINC001459057180 1061991754 /nfs/dbraw/zinc/99/17/54/1061991754.db2.gz UASUJZUFJKTCND-JXMROGBWSA-N -1 3 324.829 4.437 20 0 DIADHM CC(C)=CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001466860876 1062014353 /nfs/dbraw/zinc/01/43/53/1062014353.db2.gz QNAUYVSJACAVOY-UHFFFAOYSA-N -1 3 311.381 4.271 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3s2)c([O-])c1 ZINC001466922721 1062027157 /nfs/dbraw/zinc/02/71/57/1062027157.db2.gz BXXQKBZXRCCIFW-LBPRGKRZSA-N -1 3 311.406 4.406 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCCC3(CCCC3)C2)c([O-])c1 ZINC001466970525 1062039139 /nfs/dbraw/zinc/03/91/39/1062039139.db2.gz WCDWJAIBUNXSMT-UHFFFAOYSA-N -1 3 301.430 4.312 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254684683 1062232201 /nfs/dbraw/zinc/23/22/01/1062232201.db2.gz UXDOQEGRKXBTGY-GJZGRUSLSA-N -1 3 312.756 4.367 20 0 DIADHM CC(C)c1ccc(-c2nnc(Cc3ccc([O-])c(F)c3)o2)cc1 ZINC001254817012 1062254752 /nfs/dbraw/zinc/25/47/52/1062254752.db2.gz DCYRXEKFLXKLEY-UHFFFAOYSA-N -1 3 312.344 4.296 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)ccc2C)cc1 ZINC001255080946 1062306429 /nfs/dbraw/zinc/30/64/29/1062306429.db2.gz HWOCAJGCQNRKEP-UHFFFAOYSA-N -1 3 317.454 4.482 20 0 DIADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC001468455171 1062327043 /nfs/dbraw/zinc/32/70/43/1062327043.db2.gz KTOADPRHLCOSMF-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM CC(C)O[N-]C(=O)CCc1c2ccccc2[nH]c1-c1ccccc1 ZINC001468460773 1062327494 /nfs/dbraw/zinc/32/74/94/1062327494.db2.gz QKIYKIXIRHCNIG-UHFFFAOYSA-N -1 3 322.408 4.224 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC001468498964 1062332958 /nfs/dbraw/zinc/33/29/58/1062332958.db2.gz WMBJVJQUFVCIJN-NEPJUHHUSA-N -1 3 317.351 4.293 20 0 DIADHM [O-]c1ccc(F)c(CN(Cc2ccccc2F)CC2CC2)c1F ZINC001474632520 1062357668 /nfs/dbraw/zinc/35/76/68/1062357668.db2.gz RUUHGXUCERNANR-UHFFFAOYSA-N -1 3 321.342 4.222 20 0 DIADHM CC1(C)C=Cc2cccc(NCc3c(F)ccc([O-])c3F)c2O1 ZINC001474653045 1062383882 /nfs/dbraw/zinc/38/38/82/1062383882.db2.gz XZZBYEIYOMEUNQ-UHFFFAOYSA-N -1 3 317.335 4.467 20 0 DIADHM C=Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC001255323671 1062399603 /nfs/dbraw/zinc/39/96/03/1062399603.db2.gz VKWPWDGXADIBMS-UHFFFAOYSA-N -1 3 301.411 4.254 20 0 DIADHM CCc1cccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001468796080 1062405468 /nfs/dbraw/zinc/40/54/68/1062405468.db2.gz IVDJVZRLZHGOQK-UHFFFAOYSA-N -1 3 315.388 4.079 20 0 DIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1 ZINC001255336083 1062409509 /nfs/dbraw/zinc/40/95/09/1062409509.db2.gz YDRNSTWAEAMREW-UHFFFAOYSA-N -1 3 315.438 4.488 20 0 DIADHM CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001469070168 1062470486 /nfs/dbraw/zinc/47/04/86/1062470486.db2.gz UURJGOGEANHSAO-HNNXBMFYSA-N -1 3 311.406 4.488 20 0 DIADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC001474907783 1062481190 /nfs/dbraw/zinc/48/11/90/1062481190.db2.gz GVDPQCOTQQKMET-LLVKDONJSA-N -1 3 321.895 4.039 20 0 DIADHM CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccn1 ZINC001469179315 1062494097 /nfs/dbraw/zinc/49/40/97/1062494097.db2.gz HITBQJWWGJVUAM-CYBMUJFWSA-N -1 3 324.758 4.094 20 0 DIADHM [O-]c1ccc(Cc2nnc(-c3ccc4ccccc4c3)o2)c(F)c1 ZINC001256007803 1062682368 /nfs/dbraw/zinc/68/23/68/1062682368.db2.gz QHUFDGNARMJEBV-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1nsc2ccccc21 ZINC001278908959 1062697934 /nfs/dbraw/zinc/69/79/34/1062697934.db2.gz BMABKSSUIABPHW-UHFFFAOYSA-N -1 3 318.398 4.410 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1csc(C(C)C)n1 ZINC001278909089 1062698398 /nfs/dbraw/zinc/69/83/98/1062698398.db2.gz HKYZEAOTYGVPKO-UHFFFAOYSA-N -1 3 310.419 4.380 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1nc(Cl)sc1C ZINC001278909377 1062699048 /nfs/dbraw/zinc/69/90/48/1062699048.db2.gz RNPSXBNMAOBTEB-UHFFFAOYSA-N -1 3 316.810 4.218 20 0 DIADHM CCCCCc1nnc(-c2cc([O-])cc(C(F)(F)F)c2)o1 ZINC001256144929 1062727380 /nfs/dbraw/zinc/72/73/80/1062727380.db2.gz QEPJEDFKDKJLID-UHFFFAOYSA-N -1 3 300.280 4.194 20 0 DIADHM CCCOc1ccc(-c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001256236444 1062755688 /nfs/dbraw/zinc/75/56/88/1062755688.db2.gz ZIIIEXFEGYMMRY-UHFFFAOYSA-N -1 3 310.353 4.206 20 0 DIADHM CC(C)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001470358144 1062763947 /nfs/dbraw/zinc/76/39/47/1062763947.db2.gz ZMEWEHQRSKSRDS-HXUWFJFHSA-N -1 3 323.436 4.147 20 0 DIADHM CCCCCCc1nnc(-c2c([O-])cnc3ccc(C)cc32)o1 ZINC001256330373 1062776347 /nfs/dbraw/zinc/77/63/47/1062776347.db2.gz LKLOIRRHGAJLSW-UHFFFAOYSA-N -1 3 311.385 4.422 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)N(CC2CCCCC2)OCC(C)C)n1 ZINC001460329994 1062785933 /nfs/dbraw/zinc/78/59/33/1062785933.db2.gz VDCXSJNWABDULO-OAHLLOKOSA-N -1 3 321.465 4.022 20 0 DIADHM Cc1ccc(C(=O)N[C@@](C)(Cc2ccccc2)C(C)C)c([O-])c1 ZINC001471141833 1062928125 /nfs/dbraw/zinc/92/81/25/1062928125.db2.gz HVSTVPJQXWBERT-FQEVSTJZSA-N -1 3 311.425 4.088 20 0 DIADHM CC(=O)c1cc(-c2nnc(CCC3CCCCC3)o2)ccc1[O-] ZINC001256788468 1062980852 /nfs/dbraw/zinc/98/08/52/1062980852.db2.gz PRUZFGYHVKGZIS-UHFFFAOYSA-N -1 3 314.385 4.158 20 0 DIADHM O=C(NCCC1CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001471687480 1063013639 /nfs/dbraw/zinc/01/36/39/1063013639.db2.gz PMTGRLWIZLMWQD-UHFFFAOYSA-N -1 3 323.436 4.097 20 0 DIADHM CCc1ccc2ccccc2c1CNC(=O)c1ccc(C)cc1[O-] ZINC001471758268 1063021685 /nfs/dbraw/zinc/02/16/85/1063021685.db2.gz YESQFRQKCYMCTE-UHFFFAOYSA-N -1 3 319.404 4.346 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1cc2cccc(Cl)c2o1 ZINC001471850827 1063027301 /nfs/dbraw/zinc/02/73/01/1063027301.db2.gz URAWQOBVAUZESY-UHFFFAOYSA-N -1 3 304.733 4.450 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(-c3ocnc3C)cc2)c1 ZINC001471960110 1063038025 /nfs/dbraw/zinc/03/80/25/1063038025.db2.gz NFJFSYCWUPKMQW-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(C(F)F)cc1 ZINC001472162012 1063050962 /nfs/dbraw/zinc/05/09/62/1063050962.db2.gz NVIDGNGCPUHRMM-UHFFFAOYSA-N -1 3 323.314 4.430 20 0 DIADHM C[C@H]1Cc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2O1 ZINC001472164427 1063054656 /nfs/dbraw/zinc/05/46/56/1063054656.db2.gz LYZANFDCHANMRK-LBPRGKRZSA-N -1 3 319.360 4.121 20 0 DIADHM C[C@@H]1Cc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2O1 ZINC001472164426 1063054840 /nfs/dbraw/zinc/05/48/40/1063054840.db2.gz LYZANFDCHANMRK-GFCCVEGCSA-N -1 3 319.360 4.121 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC001472478549 1063088543 /nfs/dbraw/zinc/08/85/43/1063088543.db2.gz UJDLBXPWCDCSGG-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM CCCCOc1ccc(C(=O)N(C)C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC001472616413 1063108643 /nfs/dbraw/zinc/10/86/43/1063108643.db2.gz SJIMACFGYMTFAX-CQSZACIVSA-N -1 3 321.461 4.325 20 0 DIADHM COc1cccc(-c2nnc([C@H]3C[C@H]3c3ccc(C)cc3)o2)c1[O-] ZINC001257208708 1063137927 /nfs/dbraw/zinc/13/79/27/1063137927.db2.gz DIPWBACLLSZNOY-GJZGRUSLSA-N -1 3 322.364 4.030 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001257255480 1063162352 /nfs/dbraw/zinc/16/23/52/1063162352.db2.gz GCJGVTWSATXCJM-CVEARBPZSA-N -1 3 324.355 4.085 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001257255485 1063163742 /nfs/dbraw/zinc/16/37/42/1063163742.db2.gz GCJGVTWSATXCJM-JKSUJKDBSA-N -1 3 324.355 4.085 20 0 DIADHM COc1ccc2cc([O-])c(-c3nnc(C4CCCC4)o3)cc2c1 ZINC001257511922 1063321792 /nfs/dbraw/zinc/32/17/92/1063321792.db2.gz CYWUKNFAAWRSKN-UHFFFAOYSA-N -1 3 310.353 4.262 20 0 DIADHM CCC[C@H](C)CCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC001472975737 1063336143 /nfs/dbraw/zinc/33/61/43/1063336143.db2.gz KAVZQLAAKYYFPA-ZDUSSCGKSA-N -1 3 324.490 4.373 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C ZINC001257620777 1063352460 /nfs/dbraw/zinc/35/24/60/1063352460.db2.gz DKNOVEXWUVANNA-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM C[C@H](SCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001473073082 1063387069 /nfs/dbraw/zinc/38/70/69/1063387069.db2.gz NPVIWNFTUUOCQO-LBPRGKRZSA-N -1 3 312.394 4.437 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(CCCc3ccccc3)o2)c1 ZINC001257819277 1063394832 /nfs/dbraw/zinc/39/48/32/1063394832.db2.gz NASPKRPGWVJGDD-UHFFFAOYSA-N -1 3 314.772 4.271 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])cc1C ZINC001546343404 1063566113 /nfs/dbraw/zinc/56/61/13/1063566113.db2.gz QGFJFUFKLXACCF-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM Cc1ccccc1Cc1nnc(-c2c([O-])ccc3ccccc32)o1 ZINC001258386948 1063631283 /nfs/dbraw/zinc/63/12/83/1063631283.db2.gz XNYRSIGLBJCZPI-UHFFFAOYSA-N -1 3 316.360 4.495 20 0 DIADHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1CC(C)C ZINC001259491265 1063890425 /nfs/dbraw/zinc/89/04/25/1063890425.db2.gz QYJQHACDZRMRKF-UHFFFAOYSA-N -1 3 321.417 4.133 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1C ZINC001260999527 1063908068 /nfs/dbraw/zinc/90/80/68/1063908068.db2.gz WKFMYUKHTLDGGR-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM CCOc1ccc([C@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001265675026 1064256682 /nfs/dbraw/zinc/25/66/82/1064256682.db2.gz XHLXAXFPLIUISS-NSHDSACASA-N -1 3 320.772 4.362 20 0 DIADHM O=C(NCCCC1CCCC1)c1cc2sccc2c([O-])c1 ZINC001289949060 1064672158 /nfs/dbraw/zinc/67/21/58/1064672158.db2.gz CJEFNGOYXLFORD-UHFFFAOYSA-N -1 3 303.427 4.307 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1[O-] ZINC001290029178 1064676422 /nfs/dbraw/zinc/67/64/22/1064676422.db2.gz VYZGQEANDXOVKK-UHFFFAOYSA-N -1 3 319.788 4.177 20 0 DIADHM C[C@H]1CC(CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)C[C@H](C)C1 ZINC000652469936 1064685935 /nfs/dbraw/zinc/68/59/35/1064685935.db2.gz IPPDHLCGSAQQPD-CLCXKQKWSA-N -1 3 315.457 4.133 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(C)c3ncccc23)c1 ZINC001290534189 1064698630 /nfs/dbraw/zinc/69/86/30/1064698630.db2.gz CFLFNTRLDQYPFV-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM CC(C)[C@](C)(Cc1ccccc1)C(=O)[N-]OCc1ccccc1 ZINC001290554262 1064699797 /nfs/dbraw/zinc/69/97/97/1064699797.db2.gz JCSNLHWGWLYJKU-FQEVSTJZSA-N -1 3 311.425 4.139 20 0 DIADHM CCCOc1ccc(NC(=O)c2ccc(CC)cc2[O-])c(C)c1 ZINC001291877845 1064749673 /nfs/dbraw/zinc/74/96/73/1064749673.db2.gz VEKQKYMKQCVMFT-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM Cc1cc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])c(C)o1 ZINC001292348362 1064769021 /nfs/dbraw/zinc/76/90/21/1064769021.db2.gz NUPXHMYWRCIBFP-GFCCVEGCSA-N -1 3 301.386 4.216 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001292406391 1064773897 /nfs/dbraw/zinc/77/38/97/1064773897.db2.gz NQQSRPNIFDVPOV-KBMXLJTQSA-N -1 3 303.446 4.139 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccco2)c2ccccc2)c1[O-] ZINC001292822276 1064789304 /nfs/dbraw/zinc/78/93/04/1064789304.db2.gz JVLBOHPEQSFFIO-UHFFFAOYSA-N -1 3 321.376 4.395 20 0 DIADHM C[C@H]1C[C@H](CCN2Cc3ccc(C(=O)[O-])cc3C2)C[C@@H](C)C1 ZINC000659791161 1064802170 /nfs/dbraw/zinc/80/21/70/1064802170.db2.gz UEMRTHDGMBPOQT-FICVDOATSA-N -1 3 301.430 4.163 20 0 DIADHM Cc1ccc(NC(=O)c2cc3sccc3c([O-])c2)c(C)c1O ZINC001294779044 1064884126 /nfs/dbraw/zinc/88/41/26/1064884126.db2.gz OPPAYSBMAIFONE-UHFFFAOYSA-N -1 3 313.378 4.182 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1csc(C(F)(F)F)c1 ZINC001295350982 1064908930 /nfs/dbraw/zinc/90/89/30/1064908930.db2.gz NNJMKNPKIRQWSL-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM CC[C@H](C)CCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001295409878 1064910326 /nfs/dbraw/zinc/91/03/26/1064910326.db2.gz ARQHPXLWDGMBGV-NSHDSACASA-N -1 3 303.324 4.080 20 0 DIADHM CCCCC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC001295416112 1064910668 /nfs/dbraw/zinc/91/06/68/1064910668.db2.gz FUISEDDKVDQRIY-UHFFFAOYSA-N -1 3 315.335 4.224 20 0 DIADHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971640 1064933503 /nfs/dbraw/zinc/93/35/03/1064933503.db2.gz GURQDLJMZPQJOO-OAHLLOKOSA-N -1 3 317.816 4.499 20 0 DIADHM O=C(/C=C\CCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001295972854 1064934008 /nfs/dbraw/zinc/93/40/08/1064934008.db2.gz UKMQCSBJSQNQFD-UITAMQMPSA-N -1 3 301.773 4.173 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)c2occc21 ZINC001295978384 1064934360 /nfs/dbraw/zinc/93/43/60/1064934360.db2.gz DSHMSAWKWYKMPH-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)cc2ccoc21 ZINC001295973229 1064934627 /nfs/dbraw/zinc/93/46/27/1064934627.db2.gz XAGLYHAYIOBPOG-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM CC(C)[C@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC001296233437 1064941197 /nfs/dbraw/zinc/94/11/97/1064941197.db2.gz BNPAZWSTTVAPKV-SFHVURJKSA-N -1 3 315.388 4.203 20 0 DIADHM Cc1cc(C)cc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001297480127 1064981120 /nfs/dbraw/zinc/98/11/20/1064981120.db2.gz SZHDTILJOYVXLC-UHFFFAOYSA-N -1 3 319.404 4.434 20 0 DIADHM CC(C)[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C(C)C ZINC001297809805 1064989903 /nfs/dbraw/zinc/98/99/03/1064989903.db2.gz LMDYJKJWTYUWBE-PBHICJAKSA-N -1 3 317.454 4.360 20 0 DIADHM CC(C)=CCC[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC001298123394 1064998259 /nfs/dbraw/zinc/99/82/59/1064998259.db2.gz QSXRKRSFJKKOIP-GFCCVEGCSA-N -1 3 303.427 4.472 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1[nH]ccc1-c1ccccc1 ZINC001298551040 1065008466 /nfs/dbraw/zinc/00/84/66/1065008466.db2.gz SLTDUEMNUZBTGS-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM O=C(CCCC(=O)c1ccccc1)Nc1c([O-])cccc1Cl ZINC001298550132 1065008715 /nfs/dbraw/zinc/00/87/15/1065008715.db2.gz FRNVUADLGWWWSX-UHFFFAOYSA-N -1 3 317.772 4.037 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001298607144 1065011318 /nfs/dbraw/zinc/01/13/18/1065011318.db2.gz RBMPDSPUMKRRCW-NWDGAFQWSA-N -1 3 317.351 4.293 20 0 DIADHM CCc1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC001298823962 1065022143 /nfs/dbraw/zinc/02/21/43/1065022143.db2.gz JOAUQNPKJOOAGY-CLCXKQKWSA-N -1 3 323.436 4.361 20 0 DIADHM O=C(NCC1(C2CCC2)CCC1)c1cc([O-])c2ccccc2c1 ZINC001299038393 1065029602 /nfs/dbraw/zinc/02/96/02/1065029602.db2.gz RUEAKTJRYJJOAZ-UHFFFAOYSA-N -1 3 309.409 4.246 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(F)cc2SC)c([O-])c1 ZINC001299839687 1065035532 /nfs/dbraw/zinc/03/55/32/1065035532.db2.gz RNSNYALMRSXQQN-UHFFFAOYSA-N -1 3 305.374 4.068 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C3CCC3)C2)c([O-])c1 ZINC001301058467 1065051332 /nfs/dbraw/zinc/05/13/32/1065051332.db2.gz HITSNNQGOXWFIB-MRXNPFEDSA-N -1 3 301.430 4.168 20 0 DIADHM CN(C[C@H]1CC1(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001301432181 1065065556 /nfs/dbraw/zinc/06/55/56/1065065556.db2.gz RSYOXIVZXAFSPI-QGZVFWFLSA-N -1 3 323.436 4.101 20 0 DIADHM O=C(Nc1cc(F)ccc1NC1CC1)c1cc([O-])ccc1Cl ZINC001302087904 1065078303 /nfs/dbraw/zinc/07/83/03/1065078303.db2.gz ANPDQRAWWHYQMA-UHFFFAOYSA-N -1 3 320.751 4.011 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001302441766 1065088650 /nfs/dbraw/zinc/08/86/50/1065088650.db2.gz NXPVBGVVBOBJDE-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM CCC(F)(F)c1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC001302703547 1065096848 /nfs/dbraw/zinc/09/68/48/1065096848.db2.gz OKPTYQHSMPMEDM-UHFFFAOYSA-N -1 3 321.323 4.155 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)Cc2ccccc21 ZINC001303330978 1065112516 /nfs/dbraw/zinc/11/25/16/1065112516.db2.gz ATGKMYCCUWDYHK-CQSZACIVSA-N -1 3 317.388 4.305 20 0 DIADHM C[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)Cc2ccccc21 ZINC001303330977 1065112717 /nfs/dbraw/zinc/11/27/17/1065112717.db2.gz ATGKMYCCUWDYHK-AWEZNQCLSA-N -1 3 317.388 4.305 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c([O-])c1 ZINC001306871670 1065196938 /nfs/dbraw/zinc/19/69/38/1065196938.db2.gz DYTPWDOOUWIIMW-XJKSGUPXSA-N -1 3 319.445 4.126 20 0 DIADHM O=C(Nc1cc(-c2cccs2)on1)c1cc([O-])ccc1Cl ZINC001306871030 1065197248 /nfs/dbraw/zinc/19/72/48/1065197248.db2.gz HEEDPTIKYSRRBR-UHFFFAOYSA-N -1 3 320.757 4.014 20 0 DIADHM C[C@H](NCc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCCC2 ZINC001308669861 1066147008 /nfs/dbraw/zinc/14/70/08/1066147008.db2.gz WQDNMZTWOJTEAW-LBPRGKRZSA-N -1 3 317.379 4.400 20 0 DIADHM CC(C)[C@@H](NCc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001308722365 1066199262 /nfs/dbraw/zinc/19/92/62/1066199262.db2.gz IDTNVFMAYDMGQT-QGZVFWFLSA-N -1 3 309.331 4.296 20 0 DIADHM CCc1ccc([C@@H]2CCN(Cc3ccc([O-])c(F)c3F)C2)cc1 ZINC001308789674 1066264405 /nfs/dbraw/zinc/26/44/05/1066264405.db2.gz HDBBCEPVTSFCNF-OAHLLOKOSA-N -1 3 317.379 4.222 20 0 DIADHM CC(C)C1(c2ccccc2)CN(Cc2cccc([O-])c2Cl)C1 ZINC001308826326 1066300121 /nfs/dbraw/zinc/30/01/21/1066300121.db2.gz VBUPDZMROQBXJS-UHFFFAOYSA-N -1 3 315.844 4.455 20 0 DIADHM CCOc1cc(CNc2cccc(OC)c2C)cc(Cl)c1[O-] ZINC001308866512 1066346470 /nfs/dbraw/zinc/34/64/70/1066346470.db2.gz WNFGZWSJKMVPMS-UHFFFAOYSA-N -1 3 321.804 4.373 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(-c3ccco3)cc2F)ccc1[O-] ZINC000428095779 334932555 /nfs/dbraw/zinc/93/25/55/334932555.db2.gz KZRRXZDNQUVUEL-UHFFFAOYSA-N -1 3 311.312 4.352 20 0 DIADHM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417525728 334953191 /nfs/dbraw/zinc/95/31/91/334953191.db2.gz BKUFHDKTBFHNLW-RKDXNWHRSA-N -1 3 324.273 4.424 20 0 DIADHM C[C@H](CCC[C@H](C)NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000417525725 334953254 /nfs/dbraw/zinc/95/32/54/334953254.db2.gz BKUFHDKTBFHNLW-BDAKNGLRSA-N -1 3 324.273 4.424 20 0 DIADHM CCc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006654000 181365993 /nfs/dbraw/zinc/36/59/93/181365993.db2.gz PETOQCGJRSXNAN-UHFFFAOYSA-N -1 3 317.454 4.283 20 0 DIADHM C[C@H](CC(=O)[O-])NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000417598237 335002486 /nfs/dbraw/zinc/00/24/86/335002486.db2.gz YGIKUDMSDHANCN-CYBMUJFWSA-N -1 3 315.413 4.197 20 0 DIADHM CC(C)c1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417617466 335009591 /nfs/dbraw/zinc/00/95/91/335009591.db2.gz IIHYJTLPLKASPK-RTBURBONSA-N -1 3 309.409 4.213 20 0 DIADHM CCCc1cccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618943 335013041 /nfs/dbraw/zinc/01/30/41/335013041.db2.gz DSMMGIDIHKDYRR-RBUKOAKNSA-N -1 3 309.409 4.042 20 0 DIADHM Cc1cc(C)c(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000417618989 335013098 /nfs/dbraw/zinc/01/30/98/335013098.db2.gz KFOIGAAIVNKXGN-MOPGFXCFSA-N -1 3 309.409 4.015 20 0 DIADHM Cc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417624868 335015582 /nfs/dbraw/zinc/01/55/82/335015582.db2.gz LHSWJOWMONZXBT-NVXWUHKLSA-N -1 3 315.800 4.051 20 0 DIADHM O=C(Nc1ccccc1[O-])c1cc2c(s1)CCCCCC2 ZINC000016482989 182046465 /nfs/dbraw/zinc/04/64/65/182046465.db2.gz YKGBVSJPQBHKAW-UHFFFAOYSA-N -1 3 301.411 4.365 20 0 DIADHM CCC[C@@H](CCCCNCc1sccc1Cl)C(=O)[O-] ZINC000417641340 335025809 /nfs/dbraw/zinc/02/58/09/335025809.db2.gz PNLIYRTXMDFXOK-NSHDSACASA-N -1 3 303.855 4.162 20 0 DIADHM CC[C@H](CCNCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000417672481 335037322 /nfs/dbraw/zinc/03/73/22/335037322.db2.gz TYEIMWMJULONRT-CQSZACIVSA-N -1 3 315.388 4.083 20 0 DIADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000284172258 131056031 /nfs/dbraw/zinc/05/60/31/131056031.db2.gz JNRCHUPZEKZNMS-GFCCVEGCSA-N -1 3 318.244 4.363 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000285127519 131140120 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O=C(CS[C@H]1CCCc2ccccc21)Nc1ccccc1[O-] ZINC000180699983 331575901 /nfs/dbraw/zinc/57/59/01/331575901.db2.gz NKWFDGWTMUNUGI-KRWDZBQOSA-N -1 3 313.422 4.142 20 0 DIADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533616423 331607767 /nfs/dbraw/zinc/60/77/67/331607767.db2.gz VTTNZOPVZMBCCP-GHMZBOCLSA-N -1 3 307.802 4.158 20 0 DIADHM Cc1ccc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)c([O-])c1 ZINC000530586453 331609611 /nfs/dbraw/zinc/60/96/11/331609611.db2.gz AYWRXRKSXPTOME-ZDUSSCGKSA-N -1 3 301.361 4.047 20 0 DIADHM CCOc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1Cl ZINC000556416816 331702375 /nfs/dbraw/zinc/70/23/75/331702375.db2.gz UPBUXQHUOFALER-UHFFFAOYSA-N -1 3 318.735 4.194 20 0 DIADHM C[C@@H]1COCC[C@H]1c1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000517630881 331735690 /nfs/dbraw/zinc/73/56/90/331735690.db2.gz FOEFMBHDMTWYDO-VXNVDRBHSA-N -1 3 323.805 4.073 20 0 DIADHM O=C(/C=C\SCc1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000255589554 331776682 /nfs/dbraw/zinc/77/66/82/331776682.db2.gz GHGDMZKGIMEKQL-ALCCZGGFSA-N -1 3 309.774 4.024 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000518414330 332029154 /nfs/dbraw/zinc/02/91/54/332029154.db2.gz HEULAZXWMRCYSI-VHSXEESVSA-N -1 3 323.726 4.066 20 0 DIADHM CSc1cccc(F)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000409490874 332034326 /nfs/dbraw/zinc/03/43/26/332034326.db2.gz LBGSFUVZLCFZGM-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CC(C)(c1noc(/C=C/c2cccc([O-])c2)n1)c1ccccc1 ZINC000445484029 332143387 /nfs/dbraw/zinc/14/33/87/332143387.db2.gz RMVUMNVROZMMAT-VAWYXSNFSA-N -1 3 306.365 4.272 20 0 DIADHM CC(C)(C)[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426791030 332153991 /nfs/dbraw/zinc/15/39/91/332153991.db2.gz GVJQPAJLOWUVGJ-QGZVFWFLSA-N -1 3 315.388 4.082 20 0 DIADHM CCC[C@@H](C)C[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426795155 332154594 /nfs/dbraw/zinc/15/45/94/332154594.db2.gz VVJZKUUXZUQEBM-MFKMUULPSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)ccc1F ZINC000426798912 332155042 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ZINC000357400548 336584092 /nfs/dbraw/zinc/58/40/92/336584092.db2.gz NGNKPAYJRXMHGW-QINSGFPZSA-N -1 3 308.406 4.335 20 0 DIADHM CCCC[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(OC)cc1 ZINC000357444947 336585356 /nfs/dbraw/zinc/58/53/56/336585356.db2.gz VKLHZOOTSTUGHP-GOSISDBHSA-N -1 3 313.397 4.062 20 0 DIADHM Cc1ccc(-c2csc(NC(=O)c3cccc([O-])c3)n2)s1 ZINC000359243734 336664171 /nfs/dbraw/zinc/66/41/71/336664171.db2.gz NLYZHQFWEUNONY-UHFFFAOYSA-N -1 3 316.407 4.138 20 0 DIADHM CCc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1[O-] ZINC000362526859 336802308 /nfs/dbraw/zinc/80/23/08/336802308.db2.gz WAFKFJIWOFKGSA-GOSISDBHSA-N -1 3 324.424 4.107 20 0 DIADHM CC(C)Sc1ccccc1[N-]C(=O)c1occ2c1CCOC2 ZINC000367747230 336829051 /nfs/dbraw/zinc/82/90/51/336829051.db2.gz RRRYHTSTJDQGCF-UHFFFAOYSA-N -1 3 317.410 4.105 20 0 DIADHM CC(C)(C)SCCSCc1noc(-c2ccccc2[O-])n1 ZINC000377463238 337053057 /nfs/dbraw/zinc/05/30/57/337053057.db2.gz INXIBXZDPCIOSX-UHFFFAOYSA-N -1 3 324.471 4.207 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(F)c(F)c2)CC)n1 ZINC000193619382 337078613 /nfs/dbraw/zinc/07/86/13/337078613.db2.gz VHLLWCAVACPBAO-WDZFZDKYSA-N -1 3 322.330 4.090 20 0 DIADHM CC(C)CC[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469055873 337081786 /nfs/dbraw/zinc/08/17/86/337081786.db2.gz STNOWBABCNWIRF-INIZCTEOSA-N -1 3 321.436 4.281 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3cccc([O-])c3)cc2)cs1 ZINC000171851770 337089385 /nfs/dbraw/zinc/08/93/85/337089385.db2.gz SKAVGCLDJOTPNP-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCC[C@@H](OC)c1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000582588473 337110320 /nfs/dbraw/zinc/11/03/20/337110320.db2.gz TYFYKWXLCVOHEZ-SECBINFHSA-N -1 3 311.794 4.420 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582671688 337119027 /nfs/dbraw/zinc/11/90/27/337119027.db2.gz SXDQMPFFDMWOJQ-ISTVAULSSA-N -1 3 316.228 4.097 20 0 DIADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H]2CCC[C@H]21 ZINC000394499006 337120057 /nfs/dbraw/zinc/12/00/57/337120057.db2.gz 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/nfs/dbraw/zinc/19/46/67/337194667.db2.gz LOZLZNVXJJWZJM-SFHVURJKSA-N -1 3 301.194 4.007 20 0 DIADHM Cc1sc(CC(=O)Nc2cc(Cl)ccc2[O-])nc1C(C)C ZINC000582825170 337204869 /nfs/dbraw/zinc/20/48/69/337204869.db2.gz VGFIOQJHOHGMJR-UHFFFAOYSA-N -1 3 324.833 4.115 20 0 DIADHM CCSCC[C@@H](C)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000583031051 337231167 /nfs/dbraw/zinc/23/11/67/337231167.db2.gz WLRASRHIQVRQGL-LLVKDONJSA-N -1 3 315.866 4.002 20 0 DIADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cccc([O-])c1 ZINC000185552844 337248999 /nfs/dbraw/zinc/24/89/99/337248999.db2.gz LEYZAHJTRWSNED-CQSZACIVSA-N -1 3 319.813 4.013 20 0 DIADHM [O-]c1cc(F)cc(CN2CCCCC[C@H]2c2ccncc2)c1 ZINC000186154235 337254123 /nfs/dbraw/zinc/25/41/23/337254123.db2.gz OKYDDCOFIPKBOL-SFHVURJKSA-N -1 3 300.377 4.044 20 0 DIADHM CCc1nc(C)c([C@@H](C)N(C)Cc2cc([O-])cc(F)c2)s1 ZINC000186239449 337255027 /nfs/dbraw/zinc/25/50/27/337255027.db2.gz XXODWLVKTVZOCM-LLVKDONJSA-N -1 3 308.422 4.052 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000187897304 337268595 /nfs/dbraw/zinc/26/85/95/337268595.db2.gz PTHLTMUSDGEFSM-UHFFFAOYSA-N -1 3 318.345 4.136 20 0 DIADHM Cc1cc2n[nH]cc2cc1NCc1cc([O-])cc(C(F)(F)F)c1 ZINC000583292452 337308093 /nfs/dbraw/zinc/30/80/93/337308093.db2.gz KICFLAKFVWZNEZ-UHFFFAOYSA-N -1 3 321.302 4.208 20 0 DIADHM CCN(Cc1occc1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000584475121 337346313 /nfs/dbraw/zinc/34/63/13/337346313.db2.gz VIZBANPUVFIWLC-GFCCVEGCSA-N -1 3 313.353 4.307 20 0 DIADHM CCC(CC)(CNCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263040801 337623520 /nfs/dbraw/zinc/62/35/20/337623520.db2.gz ISODDSIFJUFXCM-UHFFFAOYSA-N -1 3 310.246 4.036 20 0 DIADHM CCOc1cc(-c2noc(C3CCCCCC3)n2)ccc1[O-] ZINC000445425469 337726217 /nfs/dbraw/zinc/72/62/17/337726217.db2.gz DGDWBXKLQXLOOV-UHFFFAOYSA-N -1 3 302.374 4.279 20 0 DIADHM CCOc1cc(-c2noc(/C=C\c3cccs3)n2)ccc1[O-] ZINC000445428880 337728068 /nfs/dbraw/zinc/72/80/68/337728068.db2.gz XVNPBRLWKSJEFV-VURMDHGXSA-N -1 3 314.366 4.073 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000533159495 337832039 /nfs/dbraw/zinc/83/20/39/337832039.db2.gz FAHFWZPIMUNKOH-UHFFFAOYSA-N -1 3 305.805 4.201 20 0 DIADHM Cc1cccc(CSCC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000059315262 337889956 /nfs/dbraw/zinc/88/99/56/337889956.db2.gz UXXXTECKWHTGCB-UHFFFAOYSA-N -1 3 321.829 4.226 20 0 DIADHM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000537113505 337890897 /nfs/dbraw/zinc/89/08/97/337890897.db2.gz SUFSWKKDUQXQLM-UHFFFAOYSA-N -1 3 324.440 4.135 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1c1cccs1 ZINC000515390530 337987666 /nfs/dbraw/zinc/98/76/66/337987666.db2.gz CZTDZASNDGSEIJ-AWEZNQCLSA-N -1 3 321.829 4.330 20 0 DIADHM CCCn1c(=O)[n-]nc1S[C@@H](C)c1c(C)cc(C)cc1C ZINC000516147261 338005366 /nfs/dbraw/zinc/00/53/66/338005366.db2.gz PSTVZJNTQHPSTJ-ZDUSSCGKSA-N -1 3 305.447 4.172 20 0 DIADHM CC(C)c1ccccc1N(C)C(=O)Cc1ccc([O-])cc1Cl ZINC000426378419 338029551 /nfs/dbraw/zinc/02/95/51/338029551.db2.gz GLGNBJRHXYAJJS-UHFFFAOYSA-N -1 3 317.816 4.375 20 0 DIADHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000426608758 338035792 /nfs/dbraw/zinc/03/57/92/338035792.db2.gz VBCVFKIJIKWVBN-UHFFFAOYSA-N -1 3 323.314 4.327 20 0 DIADHM O=C(CCCCCc1ccc(F)cc1)Nc1ccccc1[O-] ZINC000426645778 338036884 /nfs/dbraw/zinc/03/68/84/338036884.db2.gz IFSGNDKXZWGBMO-UHFFFAOYSA-N -1 3 301.361 4.273 20 0 DIADHM CCCC[C@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000426664913 338037519 /nfs/dbraw/zinc/03/75/19/338037519.db2.gz UAYPBHXRUKMMMP-SFHVURJKSA-N -1 3 315.388 4.226 20 0 DIADHM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000426704823 338038645 /nfs/dbraw/zinc/03/86/45/338038645.db2.gz SRACWUVTMVWMGH-NWDGAFQWSA-N -1 3 323.820 4.455 20 0 DIADHM O=C([O-])[C@H](CC1CCCC1)NCc1ccc(Cl)cc1Cl ZINC000426717933 338039161 /nfs/dbraw/zinc/03/91/61/338039161.db2.gz TXEFEILRKZVQNX-AWEZNQCLSA-N -1 3 316.228 4.117 20 0 DIADHM Cc1cccc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1C ZINC000426726993 338039476 /nfs/dbraw/zinc/03/94/76/338039476.db2.gz LWXQPFZCHAAMJR-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM CC(C)(C)CC[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426735210 338039826 /nfs/dbraw/zinc/03/98/26/338039826.db2.gz DKTYAHXJACCTHM-LBPRGKRZSA-N -1 3 318.244 4.363 20 0 DIADHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000426742062 338040298 /nfs/dbraw/zinc/04/02/98/338040298.db2.gz ILRDJELHBARFCR-MEDUHNTESA-N -1 3 321.779 4.031 20 0 DIADHM CCCc1cccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000426753153 338040845 /nfs/dbraw/zinc/04/08/45/338040845.db2.gz CDDJTSLVYZBUMH-HNAYVOBHSA-N -1 3 311.425 4.191 20 0 DIADHM CCCn1c(=O)[n-]nc1S[C@@H](C)CCSc1ccccc1 ZINC000431224350 338126289 /nfs/dbraw/zinc/12/62/89/338126289.db2.gz WNPYEEJXKYSPEV-LBPRGKRZSA-N -1 3 323.487 4.057 20 0 DIADHM Cc1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)C2CC2)cc1 ZINC000431509387 338132810 /nfs/dbraw/zinc/13/28/10/338132810.db2.gz OKBLQYZOFKHICZ-QGZVFWFLSA-N -1 3 315.800 4.235 20 0 DIADHM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000431780746 338138586 /nfs/dbraw/zinc/13/85/86/338138586.db2.gz GXSZZOXYTLNWJC-CQSZACIVSA-N -1 3 321.829 4.257 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2sccc2C2CC2)c(F)c1 ZINC000432993538 338175606 /nfs/dbraw/zinc/17/56/06/338175606.db2.gz CQARSGLXJPJOGO-UHFFFAOYSA-N -1 3 321.348 4.359 20 0 DIADHM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000433108434 338182018 /nfs/dbraw/zinc/18/20/18/338182018.db2.gz HDEOSGHXMFXILQ-UHFFFAOYSA-N -1 3 321.779 4.236 20 0 DIADHM [O-]c1ccc(Br)c(CN2CC[C@H]2c2ccccc2)c1 ZINC000434989073 338229213 /nfs/dbraw/zinc/22/92/13/338229213.db2.gz ZLCYFRNZNQOWFH-INIZCTEOSA-N -1 3 318.214 4.102 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)cc(Cl)c2)CC)n1 ZINC000435340131 338237543 /nfs/dbraw/zinc/23/75/43/338237543.db2.gz CQWMVSHEDOJWCC-WUXMJOGZSA-N -1 3 320.795 4.466 20 0 DIADHM CC[C@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448559329 338238792 /nfs/dbraw/zinc/23/87/92/338238792.db2.gz YWQVTIYXRUGLJU-KRWDZBQOSA-N -1 3 311.425 4.269 20 0 DIADHM C[C@@H](Cc1noc(/C=C/c2cccc([O-])c2)n1)c1ccccc1 ZINC000435944632 338253848 /nfs/dbraw/zinc/25/38/48/338253848.db2.gz DSFLIAQHVLUIIF-VNDWYCCKSA-N -1 3 306.365 4.292 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000435954622 338254108 /nfs/dbraw/zinc/25/41/08/338254108.db2.gz CDFOSYCAEKVOJO-RMKNXTFCSA-N -1 3 312.756 4.190 20 0 DIADHM CCOCc1ccccc1-c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435954912 338254118 /nfs/dbraw/zinc/25/41/18/338254118.db2.gz DQOVKRFYMMTFPH-ZHACJKMWSA-N -1 3 322.364 4.149 20 0 DIADHM [O-]c1cccc(/C=C/c2nc([C@H]3CCCc4ccccc43)no2)c1 ZINC000435957945 338254300 /nfs/dbraw/zinc/25/43/00/338254300.db2.gz VSUPLYFIHVXPIM-DXRVJIQQSA-N -1 3 318.376 4.414 20 0 DIADHM CC(C)Oc1cccc(-c2noc(/C=C/c3cccc([O-])c3)n2)c1 ZINC000435962913 338254446 /nfs/dbraw/zinc/25/44/46/338254446.db2.gz UDRZVRLJIOSXLO-MDZDMXLPSA-N -1 3 322.364 4.400 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H](c2cccnc2)C(C)C)c1[O-] ZINC000436148681 338259600 /nfs/dbraw/zinc/25/96/00/338259600.db2.gz GHAQZUDXIWFYCF-HNNXBMFYSA-N -1 3 318.804 4.127 20 0 DIADHM CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCC1 ZINC000436527935 338275408 /nfs/dbraw/zinc/27/54/08/338275408.db2.gz JMQZGBBNMIIGFA-UHFFFAOYSA-N -1 3 311.381 4.199 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3C[C@@]34CCCc3ccccc34)n2)cc1 ZINC000436531258 338275451 /nfs/dbraw/zinc/27/54/51/338275451.db2.gz GLHXJHQUPJBQQI-YLJYHZDGSA-N -1 3 318.376 4.204 20 0 DIADHM [O-]c1ccc(-c2noc(C3(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000436534773 338275686 /nfs/dbraw/zinc/27/56/86/338275686.db2.gz QDCYCRQPAXLBTN-UHFFFAOYSA-N -1 3 312.756 4.176 20 0 DIADHM C[C@@H](CCOc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436534262 338275756 /nfs/dbraw/zinc/27/57/56/338275756.db2.gz OJZXHZQRIANFSF-ZDUSSCGKSA-N -1 3 310.353 4.015 20 0 DIADHM CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CCC1 ZINC000436535375 338275827 /nfs/dbraw/zinc/27/58/27/338275827.db2.gz KEIASBHVHSDTGC-UHFFFAOYSA-N -1 3 323.436 4.192 20 0 DIADHM CSc1cccc(N(C)C(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436540980 338276060 /nfs/dbraw/zinc/27/60/60/338276060.db2.gz VDMDNRUZUAWFMH-UHFFFAOYSA-N -1 3 301.411 4.008 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000436552780 338276807 /nfs/dbraw/zinc/27/68/07/338276807.db2.gz CWTOEBOZHAYIFZ-QRQLOZEOSA-N -1 3 321.420 4.109 20 0 DIADHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1[O-] ZINC000436558406 338276998 /nfs/dbraw/zinc/27/69/98/338276998.db2.gz XQCIZKIMGYDPDC-QRQLOZEOSA-N -1 3 321.420 4.109 20 0 DIADHM CC1(C)CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436568227 338277446 /nfs/dbraw/zinc/27/74/46/338277446.db2.gz RSJARVJPPQUCJN-UHFFFAOYSA-N -1 3 311.381 4.199 20 0 DIADHM CC[C@@H](CN(CC)C(=O)c1ccc([O-])c(C)c1)c1ccccc1 ZINC000436568245 338277468 /nfs/dbraw/zinc/27/74/68/338277468.db2.gz WJXBBHVWNXBLAJ-INIZCTEOSA-N -1 3 311.425 4.357 20 0 DIADHM C[C@@H](Cn1ccc2ccccc21)c1nc(-c2ccc([O-])cc2)no1 ZINC000436566519 338277493 /nfs/dbraw/zinc/27/74/93/338277493.db2.gz QATBSNNOYUPPFP-ZDUSSCGKSA-N -1 3 319.364 4.201 20 0 DIADHM Cc1cccc(-c2nc(Cc3cc4ccccc4o3)no2)c1[O-] ZINC000436571352 338277559 /nfs/dbraw/zinc/27/75/59/338277559.db2.gz BBFBZISLJIXETJ-UHFFFAOYSA-N -1 3 306.321 4.088 20 0 DIADHM CC1(C)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436577076 338277978 /nfs/dbraw/zinc/27/79/78/338277978.db2.gz RBHVAWOGDGAWRN-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000436579391 338278169 /nfs/dbraw/zinc/27/81/69/338278169.db2.gz YYQITXPEMPAOEE-ACJLOTCBSA-N -1 3 313.372 4.063 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc(Cl)c4ncccc34)n2)cc1 ZINC000436582390 338278335 /nfs/dbraw/zinc/27/83/35/338278335.db2.gz HTHHPDLFMPNTAU-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436582483 338278451 /nfs/dbraw/zinc/27/84/51/338278451.db2.gz DMHMZUNTTAVTMH-ZIAGYGMSSA-N -1 3 311.381 4.198 20 0 DIADHM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccccc1[O-] ZINC000436590215 338278758 /nfs/dbraw/zinc/27/87/58/338278758.db2.gz SCHLDMBNCDJUTJ-KRWDZBQOSA-N -1 3 311.425 4.184 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c([O-])c1C ZINC000436589208 338278794 /nfs/dbraw/zinc/27/87/94/338278794.db2.gz PBNDTQUUHHCLTE-YJBOKZPZSA-N -1 3 323.436 4.275 20 0 DIADHM C[C@H](N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1(C)CC1 ZINC000436589891 338278841 /nfs/dbraw/zinc/27/88/41/338278841.db2.gz QLPSXVSDMOARCG-HNNXBMFYSA-N -1 3 323.436 4.244 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c([O-])c1C ZINC000436591282 338278950 /nfs/dbraw/zinc/27/89/50/338278950.db2.gz VVCWXDKNUXJFDX-INIZCTEOSA-N -1 3 315.800 4.250 20 0 DIADHM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436592426 338278961 /nfs/dbraw/zinc/27/89/61/338278961.db2.gz VEXPGMKCQDKGMY-MJGOQNOKSA-N -1 3 323.436 4.417 20 0 DIADHM CN(CCC1CC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436598861 338279373 /nfs/dbraw/zinc/27/93/73/338279373.db2.gz BTEYNOPOALSBEY-UHFFFAOYSA-N -1 3 323.436 4.050 20 0 DIADHM CC(C)[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436606670 338279694 /nfs/dbraw/zinc/27/96/94/338279694.db2.gz DQWHUALOOLFUTC-WBVHZDCISA-N -1 3 324.380 4.124 20 0 DIADHM CSC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1 ZINC000436609345 338279861 /nfs/dbraw/zinc/27/98/61/338279861.db2.gz INUULPQVRQTJDG-UHFFFAOYSA-N -1 3 312.394 4.338 20 0 DIADHM CC(C)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)n[nH]1 ZINC000436612259 338280000 /nfs/dbraw/zinc/28/00/00/338280000.db2.gz MCSRCKUPFDJVSN-UHFFFAOYSA-N -1 3 320.352 4.109 20 0 DIADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(C)o1 ZINC000436613319 338280021 /nfs/dbraw/zinc/28/00/21/338280021.db2.gz PQSGYZDCUHOEFL-UHFFFAOYSA-N -1 3 306.321 4.472 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3ccc[nH]3)n2)c2ccccc12 ZINC000436614298 338280130 /nfs/dbraw/zinc/28/01/30/338280130.db2.gz VZYOJVUABPIGNU-YFHOEESVSA-N -1 3 303.321 4.094 20 0 DIADHM Cc1cccc(C(=O)N(C)Cc2ccc3ccccc3c2)c1[O-] ZINC000436615244 338280186 /nfs/dbraw/zinc/28/01/86/338280186.db2.gz DLOGDBMREQMBDQ-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM CC(C)n1nccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436619264 338280305 /nfs/dbraw/zinc/28/03/05/338280305.db2.gz QQLRVFUDCBORMD-UHFFFAOYSA-N -1 3 320.352 4.040 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436627460 338280478 /nfs/dbraw/zinc/28/04/78/338280478.db2.gz WFFCOAFMJDNJSD-UHFFFAOYSA-N -1 3 317.816 4.441 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c([O-])c1C ZINC000436625319 338280515 /nfs/dbraw/zinc/28/05/15/338280515.db2.gz DNANJFQDBWQURU-YUIUBULTSA-N -1 3 321.420 4.327 20 0 DIADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436630920 338280693 /nfs/dbraw/zinc/28/06/93/338280693.db2.gz PWWQBQIDSDBNLI-UHFFFAOYSA-N -1 3 319.788 4.435 20 0 DIADHM CCOc1cc(-c2nc3cc(C)ccc3n2C)cc(Cl)c1[O-] ZINC000436656237 338281894 /nfs/dbraw/zinc/28/18/94/338281894.db2.gz LTBRFRAUYFFBJY-UHFFFAOYSA-N -1 3 316.788 4.306 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3ncsc3Cl)no2)c([O-])c1 ZINC000436664581 338282228 /nfs/dbraw/zinc/28/22/28/338282228.db2.gz OVSAIZZFZMWTMN-UHFFFAOYSA-N -1 3 321.789 4.343 20 0 DIADHM COc1ccc([O-])c(-c2nc([C@@H]3CCCC(C)(C)C3)no2)c1 ZINC000436685213 338282825 /nfs/dbraw/zinc/28/28/25/338282825.db2.gz AXXXSBKSOKLSFJ-LLVKDONJSA-N -1 3 302.374 4.135 20 0 DIADHM CCCCN(C(=O)c1ccc([O-])c(OC)c1)[C@H]1CCC[C@@H](C)C1 ZINC000436705000 338283579 /nfs/dbraw/zinc/28/35/79/338283579.db2.gz LXNXZYDBPMWFTR-ZBFHGGJFSA-N -1 3 319.445 4.222 20 0 DIADHM Cc1csc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000436709969 338283724 /nfs/dbraw/zinc/28/37/24/338283724.db2.gz QBYYIBPBSYJSEE-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1 ZINC000436721214 338284129 /nfs/dbraw/zinc/28/41/29/338284129.db2.gz WAGODKZQEKUMIK-HZPDHXFCSA-N -1 3 309.409 4.027 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1 ZINC000436726795 338284406 /nfs/dbraw/zinc/28/44/06/338284406.db2.gz ZIUAIWDHJFOGTC-IFXJQAMLSA-N -1 3 301.430 4.168 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c([O-])c1C ZINC000436730389 338284507 /nfs/dbraw/zinc/28/45/07/338284507.db2.gz GGYICVSTTADCIF-UHFFFAOYSA-N -1 3 321.779 4.074 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(C)c3[O-])C2)cc1 ZINC000436732260 338284582 /nfs/dbraw/zinc/28/45/82/338284582.db2.gz SYVUELYQUWPZDI-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C)ccc3[O-])C2)cc1 ZINC000436731654 338284664 /nfs/dbraw/zinc/28/46/64/338284664.db2.gz QHVWJTYIXKFZCY-NVXWUHKLSA-N -1 3 309.409 4.027 20 0 DIADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccs2)c([O-])c1 ZINC000436745821 338285221 /nfs/dbraw/zinc/28/52/21/338285221.db2.gz DMVOYZWJGNNYHQ-INIZCTEOSA-N -1 3 315.438 4.239 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000436743641 338285283 /nfs/dbraw/zinc/28/52/83/338285283.db2.gz YATYHLCDLRLJFH-YSVLISHTSA-N -1 3 301.430 4.166 20 0 DIADHM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3ccccc3[O-])c2c1 ZINC000436752279 338285319 /nfs/dbraw/zinc/28/53/19/338285319.db2.gz YGXAPVYTUXBGDQ-UHFFFAOYSA-N -1 3 318.376 4.379 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(COC(C)C)c2)c([O-])c1C ZINC000436762006 338286083 /nfs/dbraw/zinc/28/60/83/338286083.db2.gz ATWVGXVPIYQDHO-UHFFFAOYSA-N -1 3 313.397 4.186 20 0 DIADHM Cc1nc(-c2ccco2)ccc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436767794 338286573 /nfs/dbraw/zinc/28/65/73/338286573.db2.gz IJMWSHQGPIOUIY-UHFFFAOYSA-N -1 3 319.320 4.073 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cnc(-c4ccccc4)s3)n2)cc1 ZINC000436768277 338286662 /nfs/dbraw/zinc/28/66/62/338286662.db2.gz IZBUBNLTYPPYEV-UHFFFAOYSA-N -1 3 321.361 4.233 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3cccc4cccnc34)n2)cc1 ZINC000436771102 338286811 /nfs/dbraw/zinc/28/68/11/338286811.db2.gz XJCFUUSDDDXJRI-DHZHZOJOSA-N -1 3 315.332 4.161 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3Cl)n2)cc1 ZINC000436774135 338286886 /nfs/dbraw/zinc/28/68/86/338286886.db2.gz VQBGRQOSPAAKDL-ZIAGYGMSSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccccc3Cl)n2)cc1 ZINC000436774133 338286993 /nfs/dbraw/zinc/28/69/93/338286993.db2.gz VQBGRQOSPAAKDL-UONOGXRCSA-N -1 3 312.756 4.367 20 0 DIADHM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)ccc1[O-] ZINC000436785233 338287246 /nfs/dbraw/zinc/28/72/46/338287246.db2.gz SVQWHKQFCRWGSP-WBVHZDCISA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)ccc1[O-] ZINC000436785231 338287295 /nfs/dbraw/zinc/28/72/95/338287295.db2.gz SVQWHKQFCRWGSP-NVXWUHKLSA-N -1 3 309.409 4.109 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3cccc(OC)c3[O-])cc21 ZINC000436837854 338289274 /nfs/dbraw/zinc/28/92/74/338289274.db2.gz LBMACDXAXHLOKB-UHFFFAOYSA-N -1 3 324.380 4.018 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1ccc(CC)cc1[O-] ZINC000436837401 338289365 /nfs/dbraw/zinc/28/93/65/338289365.db2.gz GUDOPPVXLPTOHD-UHFFFAOYSA-N -1 3 317.454 4.111 20 0 DIADHM CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC000436840119 338289510 /nfs/dbraw/zinc/28/95/10/338289510.db2.gz WBMNTBRTFJPRHN-SJLPKXTDSA-N -1 3 323.436 4.357 20 0 DIADHM CCOc1cc(-c2noc([C@@H]3CCCC3(C)C)n2)ccc1[O-] ZINC000436870185 338290793 /nfs/dbraw/zinc/29/07/93/338290793.db2.gz GPDDIIAJRPPPKS-LBPRGKRZSA-N -1 3 302.374 4.135 20 0 DIADHM O=C(CCCCc1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000436870367 338290851 /nfs/dbraw/zinc/29/08/51/338290851.db2.gz LTKAKJABNOWMFK-UHFFFAOYSA-N -1 3 322.364 4.038 20 0 DIADHM COc1cc(-c2noc(-c3cccc(Cl)c3C)n2)ccc1[O-] ZINC000436877670 338291355 /nfs/dbraw/zinc/29/13/55/338291355.db2.gz PZBQXLSPQPGRMP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CCc1ccc(-c2nc(-c3ccc(C(C)C)nc3)no2)c([O-])c1 ZINC000436879885 338291533 /nfs/dbraw/zinc/29/15/33/338291533.db2.gz LNYGOBSUVRJDBR-UHFFFAOYSA-N -1 3 309.369 4.190 20 0 DIADHM C[C@H](CSc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436890063 338291950 /nfs/dbraw/zinc/29/19/50/338291950.db2.gz AWOBFWPKWWFTOC-GFCCVEGCSA-N -1 3 312.394 4.338 20 0 DIADHM CC(C)(c1noc(-c2ccccc2[O-])n1)c1ccc(Cl)cc1 ZINC000436887528 338292064 /nfs/dbraw/zinc/29/20/64/338292064.db2.gz QIUBPEYHYXYPPK-UHFFFAOYSA-N -1 3 314.772 4.422 20 0 DIADHM Cc1cccc(-c2nc(-c3ccccc3OC(F)F)no2)c1[O-] ZINC000436890516 338292097 /nfs/dbraw/zinc/29/20/97/338292097.db2.gz CBCYBEJJPMCALN-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3ccc(Cl)s3)n2)cc1 ZINC000436890952 338292214 /nfs/dbraw/zinc/29/22/14/338292214.db2.gz WCGVLDAVXLASKN-SOFGYWHQSA-N -1 3 304.758 4.328 20 0 DIADHM [O-]c1ccc(CCc2ccccc2)cc1-c1nc(C2CC2)no1 ZINC000436895527 338292343 /nfs/dbraw/zinc/29/23/43/338292343.db2.gz JIFJHOVQLVICIF-UHFFFAOYSA-N -1 3 306.365 4.105 20 0 DIADHM CC(C)Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436894443 338292435 /nfs/dbraw/zinc/29/24/35/338292435.db2.gz SXHKKTWRDGKGGF-UHFFFAOYSA-N -1 3 324.380 4.220 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1[O-] ZINC000436902452 338292654 /nfs/dbraw/zinc/29/26/54/338292654.db2.gz PZMYTRNVTXEDHW-MUSGIIIZSA-N -1 3 307.393 4.019 20 0 DIADHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436925682 338293761 /nfs/dbraw/zinc/29/37/61/338293761.db2.gz KGMCXOIMLJCPKM-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc([O-])c(C)c2)o1 ZINC000436926338 338293779 /nfs/dbraw/zinc/29/37/79/338293779.db2.gz MOCWSSUWPBVNOJ-WBMJQRKESA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc([O-])c(C)c2)o1 ZINC000436926335 338293815 /nfs/dbraw/zinc/29/38/15/338293815.db2.gz MOCWSSUWPBVNOJ-BLLLJJGKSA-N -1 3 313.397 4.215 20 0 DIADHM CC(C)c1ccc(C(=O)N(CC2CC2)CC2CCC2)c([O-])c1 ZINC000436930340 338294079 /nfs/dbraw/zinc/29/40/79/338294079.db2.gz HALNYFAWYUPAFQ-UHFFFAOYSA-N -1 3 301.430 4.168 20 0 DIADHM CCCNc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436933368 338294268 /nfs/dbraw/zinc/29/42/68/338294268.db2.gz SUPBNEVYQNHWNE-UHFFFAOYSA-N -1 3 318.804 4.428 20 0 DIADHM CC[C@H](C)Oc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436935844 338294365 /nfs/dbraw/zinc/29/43/65/338294365.db2.gz LZJCFEAAODKVTA-LBPRGKRZSA-N -1 3 310.353 4.287 20 0 DIADHM Cc1ccc(-c2nc(Cc3c[nH]c4c3cccc4C)no2)c([O-])c1 ZINC000436935903 338294463 /nfs/dbraw/zinc/29/44/63/338294463.db2.gz DUVPPMJGSBUDTJ-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000436935732 338294509 /nfs/dbraw/zinc/29/45/09/338294509.db2.gz LJWHHRNEZRRXPR-PXAZEXFGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cccc(-c2nc([C@H](C)c3c(F)cccc3F)no2)c1[O-] ZINC000436937481 338294583 /nfs/dbraw/zinc/29/45/83/338294583.db2.gz YROOBFSLTGBVME-SNVBAGLBSA-N -1 3 316.307 4.181 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3ccc([O-])c(C)c3)cc21 ZINC000436940379 338294822 /nfs/dbraw/zinc/29/48/22/338294822.db2.gz WGIGHAJAESBCKW-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@H](CC)c1ccccc1 ZINC000436944313 338295161 /nfs/dbraw/zinc/29/51/61/338295161.db2.gz PFHDXDKAWLZEBP-QGZVFWFLSA-N -1 3 313.397 4.101 20 0 DIADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc2c(cc1[O-])CCCC2 ZINC000436946988 338295394 /nfs/dbraw/zinc/29/53/94/338295394.db2.gz KWUHSEUDXZUBGA-UHFFFAOYSA-N -1 3 306.365 4.005 20 0 DIADHM COc1cc(C)cc(-c2nc([C@H](C)c3ccccc3C)no2)c1[O-] ZINC000436965968 338296144 /nfs/dbraw/zinc/29/61/44/338296144.db2.gz TUCLDXGJYIXCRC-CYBMUJFWSA-N -1 3 324.380 4.219 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c([O-])c1C ZINC000436979025 338296615 /nfs/dbraw/zinc/29/66/15/338296615.db2.gz JQZDUQAOHQLWGW-NVXWUHKLSA-N -1 3 323.436 4.336 20 0 DIADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)c1[O-] ZINC000436989463 338297000 /nfs/dbraw/zinc/29/70/00/338297000.db2.gz RUNVINWNDQBVAL-SFHVURJKSA-N -1 3 307.393 4.068 20 0 DIADHM CC(C)c1ccc(-c2nc(Cc3ccccc3F)no2)c([O-])c1 ZINC000437005746 338297466 /nfs/dbraw/zinc/29/74/66/338297466.db2.gz YWIFNZZVHBVTKK-UHFFFAOYSA-N -1 3 312.344 4.296 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N(CC3CC3)c3ccccc3)n[n-]2)o1 ZINC000438396161 338342716 /nfs/dbraw/zinc/34/27/16/338342716.db2.gz MSTVYOZBHITQBF-UHFFFAOYSA-N -1 3 321.380 4.035 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N(CC3CC3)c3ccccc3)[n-]n2)o1 ZINC000438396161 338342717 /nfs/dbraw/zinc/34/27/17/338342717.db2.gz MSTVYOZBHITQBF-UHFFFAOYSA-N -1 3 321.380 4.035 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ccc(OC4CCC4)cc3)n2)cc1 ZINC000438751004 338351648 /nfs/dbraw/zinc/35/16/48/338351648.db2.gz CTTSCAYPSWRFDA-UHFFFAOYSA-N -1 3 308.337 4.041 20 0 DIADHM COc1ccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)cc1 ZINC000438849324 338353791 /nfs/dbraw/zinc/35/37/91/338353791.db2.gz DRCJKADFGFGOQJ-MRXNPFEDSA-N -1 3 319.351 4.016 20 0 DIADHM CCC(CC)c1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])on1 ZINC000439399628 338368388 /nfs/dbraw/zinc/36/83/88/338368388.db2.gz UZUNXKDJLMQIJX-UHFFFAOYSA-N -1 3 322.792 4.498 20 0 DIADHM Cc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)c([O-])c1 ZINC000440328796 338385627 /nfs/dbraw/zinc/38/56/27/338385627.db2.gz PXODEHVSYFFGNC-UHFFFAOYSA-N -1 3 301.430 4.277 20 0 DIADHM O=C([N-]c1nc2ccc(Cl)cc2s1)c1cc(C2CC2)no1 ZINC000440442849 338387390 /nfs/dbraw/zinc/38/73/90/338387390.db2.gz QFPFRUAZJQVELX-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM COc1cc(-c2noc(C/C=C/c3ccc(C)cc3)n2)ccc1[O-] ZINC000440528376 338389181 /nfs/dbraw/zinc/38/91/81/338389181.db2.gz BORFVFIWWXQWRR-ONEGZZNKSA-N -1 3 322.364 4.015 20 0 DIADHM COc1ccc2occ(C(=O)Nc3cc(Cl)ccc3[O-])c2c1 ZINC000442635376 338426432 /nfs/dbraw/zinc/42/64/32/338426432.db2.gz PJORXSIBSKQSGK-UHFFFAOYSA-N -1 3 317.728 4.053 20 0 DIADHM O=C([N-]c1ccccc1SC1CCCC1)c1ccsn1 ZINC000448676418 338433607 /nfs/dbraw/zinc/43/36/07/338433607.db2.gz HVCRPFMMGOXNMN-UHFFFAOYSA-N -1 3 304.440 4.430 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2scnc2C(C)C)s1 ZINC000448760501 338574252 /nfs/dbraw/zinc/57/42/52/338574252.db2.gz MQOAHBCIPCVNII-UHFFFAOYSA-N -1 3 324.475 4.274 20 0 DIADHM Cc1cccc(C(C)C)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450092769 338666749 /nfs/dbraw/zinc/66/67/49/338666749.db2.gz RPHIQYAUZXJOIB-UHFFFAOYSA-N -1 3 301.361 4.144 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(C(C)C)n1 ZINC000450295094 338675917 /nfs/dbraw/zinc/67/59/17/338675917.db2.gz UWWACRREVIXQAM-UHFFFAOYSA-N -1 3 304.777 4.125 20 0 DIADHM CC1(C)CC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450353918 338679482 /nfs/dbraw/zinc/67/94/82/338679482.db2.gz HXPWJQLANZQTJF-MRXNPFEDSA-N -1 3 311.425 4.173 20 0 DIADHM C[C@H](C1CCC1)N(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450374600 338680568 /nfs/dbraw/zinc/68/05/68/338680568.db2.gz WHQXIYLHEWFUOL-CQSZACIVSA-N -1 3 311.425 4.125 20 0 DIADHM C[C@@H]1CCN(C(=O)CCCC(=O)C(C)(C)C)c2c([O-])cccc21 ZINC000450942531 338713742 /nfs/dbraw/zinc/71/37/42/338713742.db2.gz UXSFZNFORIXKGT-CYBMUJFWSA-N -1 3 317.429 4.018 20 0 DIADHM C[C@H]1CC[C@@H](N(C)C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451200992 338725852 /nfs/dbraw/zinc/72/58/52/338725852.db2.gz ZCZYXZWBNYSNPF-WMLDXEAASA-N -1 3 311.425 4.125 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000451796609 338744501 /nfs/dbraw/zinc/74/45/01/338744501.db2.gz HIORDQIYXXLLMD-LRDDRELGSA-N -1 3 319.836 4.192 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1[O-] ZINC000195703195 338914335 /nfs/dbraw/zinc/91/43/35/338914335.db2.gz LOKNEUHJDIXFQM-INIZCTEOSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1[O-] ZINC000195746206 338914896 /nfs/dbraw/zinc/91/48/96/338914896.db2.gz KGIPTQSDCZSTJK-INIZCTEOSA-N -1 3 301.430 4.276 20 0 DIADHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)ccc1[O-] ZINC000458027418 338986410 /nfs/dbraw/zinc/98/64/10/338986410.db2.gz MSSQMNJWJICTSY-ZWKOTPCHSA-N -1 3 309.409 4.109 20 0 DIADHM O=c1cc(CN[C@H](CC2CCC2)c2ccccc2)nc(C2CC2)[n-]1 ZINC000459389726 339026527 /nfs/dbraw/zinc/02/65/27/339026527.db2.gz AJXRWPGRDSHBRZ-GOSISDBHSA-N -1 3 323.440 4.081 20 0 DIADHM CCOc1cc(CNc2ccc(C)nc2C)cc(Cl)c1[O-] ZINC000459455759 339030195 /nfs/dbraw/zinc/03/01/95/339030195.db2.gz VSLXKVARWXZQFX-UHFFFAOYSA-N -1 3 306.793 4.068 20 0 DIADHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462720627 339084786 /nfs/dbraw/zinc/08/47/86/339084786.db2.gz QGZITZAMIWNVMZ-UWVGGRQHSA-N -1 3 324.273 4.096 20 0 DIADHM Cc1cc(C)cc(N(C)C(=O)c2c[n-]nc2-c2ccc(F)cc2)c1 ZINC000463652618 339123222 /nfs/dbraw/zinc/12/32/22/339123222.db2.gz JLKOAPXCEADZPY-UHFFFAOYSA-N -1 3 323.371 4.109 20 0 DIADHM CCCc1occc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000466328737 339199701 /nfs/dbraw/zinc/19/97/01/339199701.db2.gz VYNKYOGBHHSZAU-UHFFFAOYSA-N -1 3 310.353 4.448 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2cc(Cl)c(Cl)cc2F)no1 ZINC000466575086 339209664 /nfs/dbraw/zinc/20/96/64/339209664.db2.gz DTQPJLOMDRLDNW-UHFFFAOYSA-N -1 3 317.147 4.496 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000466948516 339222428 /nfs/dbraw/zinc/22/24/28/339222428.db2.gz HRCSHKFFOKIHQY-NSHDSACASA-N -1 3 323.314 4.462 20 0 DIADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1cc(Cl)ccc1[O-] ZINC000468408825 339262282 /nfs/dbraw/zinc/26/22/82/339262282.db2.gz PLYGSNNPWAEXFP-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468548779 339266044 /nfs/dbraw/zinc/26/60/44/339266044.db2.gz RPDTYMSENWQDTP-UHFFFAOYSA-N -1 3 301.361 4.055 20 0 DIADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC000468568567 339266585 /nfs/dbraw/zinc/26/65/85/339266585.db2.gz XVVAENIEMZPPJO-UHFFFAOYSA-N -1 3 301.361 4.110 20 0 DIADHM Cc1cc(C)cc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468650409 339268035 /nfs/dbraw/zinc/26/80/35/339268035.db2.gz GTIAQIMTLZJAAI-UHFFFAOYSA-N -1 3 315.388 4.134 20 0 DIADHM CCC[C@@H](C)[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468792234 339270946 /nfs/dbraw/zinc/27/09/46/339270946.db2.gz CFBLZWSPNBSROO-RHSMWYFYSA-N -1 3 321.436 4.281 20 0 DIADHM CCCCN(CCCC)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468852038 339272735 /nfs/dbraw/zinc/27/27/35/339272735.db2.gz DWHZKFPHVJHUDF-UHFFFAOYSA-N -1 3 309.425 4.283 20 0 DIADHM CC(C)[C@@H]1CCCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468858883 339272952 /nfs/dbraw/zinc/27/29/52/339272952.db2.gz HGTDLIPWPJUGTR-DOTOQJQBSA-N -1 3 321.436 4.185 20 0 DIADHM Cc1ccc(C)c(CC(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000468998372 339277264 /nfs/dbraw/zinc/27/72/64/339277264.db2.gz LPNGNONKPAPBRA-HNNXBMFYSA-N -1 3 309.409 4.092 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCC[C@H]1C ZINC000469073008 339279275 /nfs/dbraw/zinc/27/92/75/339279275.db2.gz VJPCKRBNIHHIAE-PBHICJAKSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)c2c([O-])cccc21 ZINC000469132855 339281083 /nfs/dbraw/zinc/28/10/83/339281083.db2.gz TVMLLZHOUHQNIL-RDTXWAMCSA-N -1 3 321.420 4.353 20 0 DIADHM CC(C)CC(C)(C)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469158775 339281671 /nfs/dbraw/zinc/28/16/71/339281671.db2.gz FOPSFSUMPVIABW-UHFFFAOYSA-N -1 3 309.425 4.043 20 0 DIADHM Cc1cccc([C@@H](C)C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000469231122 339283659 /nfs/dbraw/zinc/28/36/59/339283659.db2.gz NIGODAWXSDYPEY-LSDHHAIUSA-N -1 3 309.409 4.345 20 0 DIADHM C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2c([O-])cccc21 ZINC000469260914 339284497 /nfs/dbraw/zinc/28/44/97/339284497.db2.gz SUWAZQQRCYINDZ-GFCCVEGCSA-N -1 3 315.800 4.129 20 0 DIADHM C[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)c2c([O-])cccc21 ZINC000469260928 339284540 /nfs/dbraw/zinc/28/45/40/339284540.db2.gz SUWAZQQRCYINDZ-LBPRGKRZSA-N -1 3 315.800 4.129 20 0 DIADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1OCC(F)F ZINC000472072629 339362517 /nfs/dbraw/zinc/36/25/17/339362517.db2.gz GHFVUHCATMFOIG-UHFFFAOYSA-N -1 3 311.303 4.096 20 0 DIADHM CCN(Cc1cc([O-])cc(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000473134615 339381945 /nfs/dbraw/zinc/38/19/45/339381945.db2.gz YSOOVACQXIZHFH-ZDUSSCGKSA-N -1 3 303.377 4.123 20 0 DIADHM O=c1ccnc(C(=Cc2cccc(Cl)c2)Cc2ccccc2)[n-]1 ZINC000477415410 339494361 /nfs/dbraw/zinc/49/43/61/339494361.db2.gz IGFDYLHOKHTXJF-VBKFSLOCSA-N -1 3 322.795 4.207 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)C1(c2ccccc2F)CCCC1 ZINC000478296535 339512880 /nfs/dbraw/zinc/51/28/80/339512880.db2.gz GUPUSXFXSYLIEK-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM COc1ccc(/C=C/c2ccc3cc(C)cc([O-])c3n2)cc1O ZINC000478909576 339524364 /nfs/dbraw/zinc/52/43/64/339524364.db2.gz IOKCSWKEKDHSQP-ZZXKWVIFSA-N -1 3 307.349 4.133 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cccc(Cl)c1F ZINC000479011899 339526138 /nfs/dbraw/zinc/52/61/38/339526138.db2.gz GNJBKQYYDDNVMX-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM Cc1nc(-c2ccccc2C)sc1C(=O)Nc1ccccc1[O-] ZINC000481513173 339605627 /nfs/dbraw/zinc/60/56/27/339605627.db2.gz ZEEIVPMXLIFPFS-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM COc1cc(F)ccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000485761707 339712362 /nfs/dbraw/zinc/71/23/62/339712362.db2.gz XZWSGTIAIVPGSC-UHFFFAOYSA-N -1 3 324.764 4.283 20 0 DIADHM CCc1cc(C(=O)N(Cc2cccs2)C(C)C)ccc1[O-] ZINC000485936872 339716560 /nfs/dbraw/zinc/71/65/60/339716560.db2.gz RZIPYCCFPUOSHJ-UHFFFAOYSA-N -1 3 303.427 4.067 20 0 DIADHM O=c1cc(C=Cc2cnc(-c3ccccc3)s2)nc(C2CC2)[n-]1 ZINC000485977828 339717781 /nfs/dbraw/zinc/71/77/81/339717781.db2.gz NIBUZTRLSRDONJ-HJWRWDBZSA-N -1 3 321.405 4.354 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CCSc1cccc(Cl)c1 ZINC000486952187 339739590 /nfs/dbraw/zinc/73/95/90/339739590.db2.gz BCDVUOHYHPYAEI-UHFFFAOYSA-N -1 3 321.829 4.475 20 0 DIADHM O=C([N-]c1csc2ccccc12)c1cc(-c2ccco2)on1 ZINC000487482045 339754816 /nfs/dbraw/zinc/75/48/16/339754816.db2.gz FERQPMUSUSWRED-UHFFFAOYSA-N -1 3 310.334 4.402 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000490672711 339837170 /nfs/dbraw/zinc/83/71/70/339837170.db2.gz QBHUHOBDENUUSH-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM O=C([N-]c1ccccc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000499333190 340034992 /nfs/dbraw/zinc/03/49/92/340034992.db2.gz CLABEMJEKUMSRA-UHFFFAOYSA-N -1 3 316.719 4.386 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000499661494 340042379 /nfs/dbraw/zinc/04/23/79/340042379.db2.gz SHXJBLDLYBKCLJ-UHFFFAOYSA-N -1 3 322.364 4.226 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)ccc1[O-] ZINC000499769731 340044475 /nfs/dbraw/zinc/04/44/75/340044475.db2.gz AASXDTKRIMDNOI-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2)ccc1[O-] ZINC000499849046 340045769 /nfs/dbraw/zinc/04/57/69/340045769.db2.gz VKIFRQNQKYNUPP-UHFFFAOYSA-N -1 3 303.789 4.019 20 0 DIADHM Cc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)ccc1[O-] ZINC000500411575 340057408 /nfs/dbraw/zinc/05/74/08/340057408.db2.gz ACTAYOJRMQZDET-SFHVURJKSA-N -1 3 313.372 4.029 20 0 DIADHM CSc1cccc(C)c1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000500914281 340069815 /nfs/dbraw/zinc/06/98/15/340069815.db2.gz OGHNJKMCVJHCJH-UHFFFAOYSA-N -1 3 304.415 4.389 20 0 DIADHM Cc1coc2ccc(NC(=O)c3cc([O-])ccc3Cl)cc12 ZINC000501234195 340076768 /nfs/dbraw/zinc/07/67/68/340076768.db2.gz NUJBGFLSWURKFW-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CC(C)c1cc(C(=O)N2CC[C@@](C)(F)C2)c([O-])c(C(C)C)c1 ZINC000501844985 340089635 /nfs/dbraw/zinc/08/96/35/340089635.db2.gz HRIBCEYGTJCXBF-GOSISDBHSA-N -1 3 307.409 4.213 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)c([O-])c1 ZINC000501965368 340091652 /nfs/dbraw/zinc/09/16/52/340091652.db2.gz BVUYAXPQNUNMQO-UHFFFAOYSA-N -1 3 322.408 4.352 20 0 DIADHM Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000501971531 340091686 /nfs/dbraw/zinc/09/16/86/340091686.db2.gz DBFLVTPQWUGDCE-UHFFFAOYSA-N -1 3 303.427 4.241 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2cc(F)ccc2F)c([O-])c1 ZINC000501974038 340091744 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CC(=O)CCC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506230626 340189325 /nfs/dbraw/zinc/18/93/25/340189325.db2.gz KXYSOFQEKZDABR-UHFFFAOYSA-N -1 3 305.418 4.024 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2cccc3cccnc32)c([O-])c1 ZINC000506237415 340189616 /nfs/dbraw/zinc/18/96/16/340189616.db2.gz CYNJQMCLPDSQMB-UHFFFAOYSA-N -1 3 320.392 4.490 20 0 DIADHM O=C(NCCCc1cccc(Cl)c1)c1cc([O-])ccc1Cl ZINC000506600877 340197540 /nfs/dbraw/zinc/19/75/40/340197540.db2.gz HWVXOWKMHGLDJF-UHFFFAOYSA-N -1 3 324.207 4.062 20 0 DIADHM COc1ccc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)cc1 ZINC000506806837 340202065 /nfs/dbraw/zinc/20/20/65/340202065.db2.gz PSGZZORUJLMEBD-INIZCTEOSA-N -1 3 317.816 4.391 20 0 DIADHM COc1ccc(CN(Cc2cccc([O-])c2Cl)C2CC2)cc1 ZINC000507023912 340205666 /nfs/dbraw/zinc/20/56/66/340205666.db2.gz XYSVPFHXPYLSCQ-UHFFFAOYSA-N -1 3 317.816 4.219 20 0 DIADHM CCN(Cc1c(F)ccc([O-])c1F)[C@@H](C)c1cccc(OC)c1 ZINC000507331562 340217429 /nfs/dbraw/zinc/21/74/29/340217429.db2.gz FUDYOWOYQOHCLH-LBPRGKRZSA-N -1 3 321.367 4.262 20 0 DIADHM COCCN(Cc1cccc([O-])c1Cl)[C@H](C)c1ccccc1 ZINC000507392863 340218504 /nfs/dbraw/zinc/21/85/04/340218504.db2.gz QXCFNNYIYAMUEC-CQSZACIVSA-N -1 3 319.832 4.255 20 0 DIADHM COc1ccc(CCCN(C)Cc2cccc([O-])c2Cl)cc1 ZINC000507634721 340226959 /nfs/dbraw/zinc/22/69/59/340226959.db2.gz GLZGJVXJRHPCAD-UHFFFAOYSA-N -1 3 319.832 4.119 20 0 DIADHM COc1ccccc1[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000508187902 340240206 /nfs/dbraw/zinc/24/02/06/340240206.db2.gz RYWQWAKJFGNXAF-OAHLLOKOSA-N -1 3 319.351 4.016 20 0 DIADHM [O-]c1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1Cl ZINC000508506582 340245105 /nfs/dbraw/zinc/24/51/05/340245105.db2.gz YHAZIGGPWOIFBA-ZDUSSCGKSA-N -1 3 305.780 4.174 20 0 DIADHM CCCOc1cccc(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000508783150 340253004 /nfs/dbraw/zinc/25/30/04/340253004.db2.gz APJDFXKCLFDGLX-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM [O-]c1cccc(CN2CCC(OCC3CCCC3)CC2)c1Cl ZINC000508895982 340255535 /nfs/dbraw/zinc/25/55/35/340255535.db2.gz RKWBTLUEPFXKEP-UHFFFAOYSA-N 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DIADHM CC(F)(F)C(=O)[N-][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000815043913 1041905646 /nfs/dbraw/zinc/90/56/46/1041905646.db2.gz ZPYMHRLRTRCXTA-GFCCVEGCSA-N -1 3 315.772 4.262 20 0 DIADHM O=C([N-]c1noc2c1CCCC2)c1ccc(Oc2ccccc2)o1 ZINC001134903364 1041927980 /nfs/dbraw/zinc/92/79/80/1041927980.db2.gz GZHOXKYIGPGQOT-UHFFFAOYSA-N -1 3 324.336 4.191 20 0 DIADHM CCC[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(C(F)(F)F)c1 ZINC000815266685 1041937763 /nfs/dbraw/zinc/93/77/63/1041937763.db2.gz IJVYOJKQVRPSGS-LLVKDONJSA-N -1 3 309.278 4.318 20 0 DIADHM Cc1ccc(-c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)o1 ZINC000047681845 1041968339 /nfs/dbraw/zinc/96/83/39/1041968339.db2.gz PIIHYCVAPCEQNR-UHFFFAOYSA-N -1 3 308.362 4.220 20 0 DIADHM CC(C)(CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000815849542 1041998877 /nfs/dbraw/zinc/99/88/77/1041998877.db2.gz FEEXLHWXORLHDP-UHFFFAOYSA-N -1 3 315.335 4.080 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC001135299180 1042006249 /nfs/dbraw/zinc/00/62/49/1042006249.db2.gz AMFSZVJEQALAOO-LLVKDONJSA-N -1 3 323.314 4.210 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001135794950 1042091691 /nfs/dbraw/zinc/09/16/91/1042091691.db2.gz ZCCVCGQCYMGXSD-MGPQQGTHSA-N -1 3 319.470 4.203 20 0 DIADHM CSc1ccc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001245746124 1042100690 /nfs/dbraw/zinc/10/06/90/1042100690.db2.gz JHUWGGUGONVMQR-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccccc1C(F)(F)F ZINC000817408588 1042107025 /nfs/dbraw/zinc/10/70/25/1042107025.db2.gz YJZMZHIXMCKQIP-LLVKDONJSA-N -1 3 315.335 4.047 20 0 DIADHM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N)cc1[O-] ZINC000817904199 1042128069 /nfs/dbraw/zinc/12/80/69/1042128069.db2.gz ADLMAZBWALECGM-UHFFFAOYSA-N -1 3 312.413 4.474 20 0 DIADHM CCC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001136051086 1042128599 /nfs/dbraw/zinc/12/85/99/1042128599.db2.gz QOKIYCVQTFYAND-INIZCTEOSA-N -1 3 315.438 4.385 20 0 DIADHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)=C1CCC1 ZINC000819489571 1042185228 /nfs/dbraw/zinc/18/52/28/1042185228.db2.gz AOYFHPAOWAKISK-LBPRGKRZSA-N -1 3 323.236 4.092 20 0 DIADHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)=C1CCC1 ZINC000819489570 1042185634 /nfs/dbraw/zinc/18/56/34/1042185634.db2.gz AOYFHPAOWAKISK-GFCCVEGCSA-N -1 3 323.236 4.092 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000007745805 1042191095 /nfs/dbraw/zinc/19/10/95/1042191095.db2.gz QOKJDJGXWWSSHZ-UHFFFAOYSA-N -1 3 321.467 4.162 20 0 DIADHM Cc1cccc2c1CCC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC001167823213 1042205245 /nfs/dbraw/zinc/20/52/45/1042205245.db2.gz LPCDUVNSRRYZBY-QGZVFWFLSA-N -1 3 315.800 4.161 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c([O-])c1 ZINC001136448007 1042251666 /nfs/dbraw/zinc/25/16/66/1042251666.db2.gz PAFYGZIFGVCZOL-QGZVFWFLSA-N -1 3 309.409 4.243 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cnccc2Oc2ccccc2)c1 ZINC001136458509 1042255661 /nfs/dbraw/zinc/25/56/61/1042255661.db2.gz JLOSPKWXRHVAQN-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CC(C)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([O-])c1 ZINC001136458840 1042255815 /nfs/dbraw/zinc/25/58/15/1042255815.db2.gz WNDRQWJNOWPUMH-UHFFFAOYSA-N -1 3 321.380 4.158 20 0 DIADHM COc1cccc(C(=O)Nc2ccc(CCC(C)C)cc2)c1[O-] ZINC001136476820 1042258425 /nfs/dbraw/zinc/25/84/25/1042258425.db2.gz KVDHWVYMCQPSHN-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM COCC[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)C ZINC000810626851 1042277567 /nfs/dbraw/zinc/27/75/67/1042277567.db2.gz JAXGRTZBCVTPSM-LLVKDONJSA-N -1 3 315.822 4.101 20 0 DIADHM CCSc1ccc([C@H](C)NC(=O)c2c(C)cccc2[O-])cc1 ZINC001136716014 1042323324 /nfs/dbraw/zinc/32/33/24/1042323324.db2.gz IUQMCBYFGQLLER-ZDUSSCGKSA-N -1 3 315.438 4.304 20 0 DIADHM [O-]c1cccc(CNCc2ccc(-c3cccnc3)cc2)c1Cl ZINC000645159746 1042446075 /nfs/dbraw/zinc/44/60/75/1042446075.db2.gz JZNBFEFJTLJHEO-UHFFFAOYSA-N -1 3 324.811 4.397 20 0 DIADHM Cc1coc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c1 ZINC001126371216 1042451509 /nfs/dbraw/zinc/45/15/09/1042451509.db2.gz SRBLVENCAORDBU-UHFFFAOYSA-N 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VMAAZDYNUFCWLQ-NSHDSACASA-N -1 3 321.852 4.156 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)C/C(C)=C/c2ccccc2)c1 ZINC000427535682 1042990524 /nfs/dbraw/zinc/99/05/24/1042990524.db2.gz GAYMDQBVFSPVIE-NTCAYCPXSA-N -1 3 309.409 4.130 20 0 DIADHM CSc1cc(O)ccc1[N-]C(=O)c1conc1C1CCCC1 ZINC000867779675 1043261696 /nfs/dbraw/zinc/26/16/96/1043261696.db2.gz CLKOKJONRFTDJH-UHFFFAOYSA-N -1 3 318.398 4.012 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C)c(Cl)c(C)c2)c1[O-] ZINC001625933646 1043282881 /nfs/dbraw/zinc/28/28/81/1043282881.db2.gz SQSDPNXFLMMVIU-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM COc1ccc([C@@H](C)N[C@H](C)c2cccc([O-])c2F)cc1F ZINC000872018908 1043421935 /nfs/dbraw/zinc/42/19/35/1043421935.db2.gz QXKLSJFQZOVLDZ-GHMZBOCLSA-N -1 3 307.340 4.091 20 0 DIADHM C[C@H](N[C@H]1CSCc2ccccc21)c1cccc([O-])c1F ZINC000872027308 1043423801 /nfs/dbraw/zinc/42/38/01/1043423801.db2.gz CUAWNISXOMFFLX-NHYWBVRUSA-N -1 3 303.402 4.170 20 0 DIADHM CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc([O-])c1F ZINC000872047074 1043433575 /nfs/dbraw/zinc/43/35/75/1043433575.db2.gz PDLYHZZAZKUYNU-BLLLJJGKSA-N -1 3 315.388 4.268 20 0 DIADHM C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872059460 1043441811 /nfs/dbraw/zinc/44/18/11/1043441811.db2.gz FLPXNRNXEGUXEC-NHYWBVRUSA-N -1 3 319.351 4.235 20 0 DIADHM C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1cccc([O-])c1F ZINC000872059461 1043442274 /nfs/dbraw/zinc/44/22/74/1043442274.db2.gz FLPXNRNXEGUXEC-XHDPSFHLSA-N -1 3 319.351 4.235 20 0 DIADHM C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc([O-])c1F ZINC000872074554 1043449867 /nfs/dbraw/zinc/44/98/67/1043449867.db2.gz YFYYAQFYKZWRFL-JSGCOSHPSA-N -1 3 301.361 4.208 20 0 DIADHM COC[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000872072357 1043450144 /nfs/dbraw/zinc/45/01/44/1043450144.db2.gz CTOMWFIRBQZLJJ-XHDPSFHLSA-N -1 3 323.795 4.223 20 0 DIADHM C[C@@H](N[C@@H](c1ccccn1)C1CCC1)c1cccc([O-])c1F ZINC000872088630 1043455659 /nfs/dbraw/zinc/45/56/59/1043455659.db2.gz UIYZVUQOAJZGHD-KZULUSFZSA-N -1 3 300.377 4.118 20 0 DIADHM C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1cccc([O-])c1F ZINC000872088632 1043455933 /nfs/dbraw/zinc/45/59/33/1043455933.db2.gz UIYZVUQOAJZGHD-XIKOKIGWSA-N -1 3 300.377 4.118 20 0 DIADHM C[C@H](NCc1ccsc1C(F)(F)F)c1cccc([O-])c1F ZINC000872092095 1043458907 /nfs/dbraw/zinc/45/89/07/1043458907.db2.gz NPXJBYFCMNQRSC-QMMMGPOBSA-N -1 3 319.323 4.462 20 0 DIADHM CC(C)(C)c1cnc(CNCc2ccc([O-])c(Cl)c2)s1 ZINC000873179029 1043524082 /nfs/dbraw/zinc/52/40/82/1043524082.db2.gz JVBDRKMBDPVVCT-UHFFFAOYSA-N -1 3 310.850 4.089 20 0 DIADHM O=C(NC1(c2cccc(Cl)c2)CC1)c1cc([O-])ccc1Cl ZINC000558538525 1043534832 /nfs/dbraw/zinc/53/48/32/1043534832.db2.gz LHQNUELAFNFBNU-UHFFFAOYSA-N -1 3 322.191 4.118 20 0 DIADHM CCSCc1cc(C(=O)[N-]c2c(C)cccc2SC)no1 ZINC000350030283 1043536126 /nfs/dbraw/zinc/53/61/26/1043536126.db2.gz AAKHWIYYKROVFT-UHFFFAOYSA-N -1 3 322.455 4.210 20 0 DIADHM CC(C)n1cc2c(n1)[C@@H](N[C@@H](C)c1cc([O-])cc(F)c1)CCC2 ZINC000926181471 1043541047 /nfs/dbraw/zinc/54/10/47/1043541047.db2.gz CJEKXCSORDVVHJ-SJCJKPOMSA-N -1 3 317.408 4.037 20 0 DIADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001299439121 1043579419 /nfs/dbraw/zinc/57/94/19/1043579419.db2.gz UURJGOGEANHSAO-OAHLLOKOSA-N -1 3 311.406 4.488 20 0 DIADHM O=C(NC[C@@H]1CCCCC1(F)F)c1cc([O-])c2ccccc2c1 ZINC000452314058 1043605032 /nfs/dbraw/zinc/60/50/32/1043605032.db2.gz QMYMDBCPNAGPBN-AWEZNQCLSA-N -1 3 319.351 4.101 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000665389806 1043686534 /nfs/dbraw/zinc/68/65/34/1043686534.db2.gz PXZCNEPNJNVNGS-ZDUSSCGKSA-N -1 3 319.451 4.153 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000665389805 1043687003 /nfs/dbraw/zinc/68/70/03/1043687003.db2.gz PXZCNEPNJNVNGS-CYBMUJFWSA-N -1 3 319.451 4.153 20 0 DIADHM COc1cc(C)c(NC(=O)c2cc([O-])ccc2Cl)c(C)c1C ZINC000354558486 1043707354 /nfs/dbraw/zinc/70/73/54/1043707354.db2.gz CKZOHHZTQSLAHQ-UHFFFAOYSA-N -1 3 319.788 4.232 20 0 DIADHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(C2=CCCC2)cc1 ZINC000354727208 1043716202 /nfs/dbraw/zinc/71/62/02/1043716202.db2.gz XOVFIGPZXRKUKL-UHFFFAOYSA-N -1 3 311.356 4.029 20 0 DIADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1ccc(C)cc1C ZINC000878215062 1043856332 /nfs/dbraw/zinc/85/63/32/1043856332.db2.gz JVYNRMRCYRWWKU-UHFFFAOYSA-N -1 3 323.396 4.086 20 0 DIADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1cccc(C)c1C ZINC000878216471 1043861622 /nfs/dbraw/zinc/86/16/22/1043861622.db2.gz WTQFGRMXRWHGFJ-UHFFFAOYSA-N -1 3 323.396 4.086 20 0 DIADHM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cccc([O-])c1F ZINC000128703386 1044089328 /nfs/dbraw/zinc/08/93/28/1044089328.db2.gz CJZFCVCLIQZDHR-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSC[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000882246174 1044161028 /nfs/dbraw/zinc/16/10/28/1044161028.db2.gz PLIGYICJDWSDLU-FRRDWIJNSA-N -1 3 316.426 4.112 20 0 DIADHM CCC[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(F)cc1F ZINC000292988982 1044237496 /nfs/dbraw/zinc/23/74/96/1044237496.db2.gz IKIRQBACHTZECE-SNVBAGLBSA-N -1 3 303.259 4.239 20 0 DIADHM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@@H]1C ZINC000563280457 1044241909 /nfs/dbraw/zinc/24/19/09/1044241909.db2.gz UFCRSEUZYHCGAH-ISTVAULSSA-N -1 3 316.228 4.097 20 0 DIADHM O=C([O-])c1ccoc1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000563279551 1044241997 /nfs/dbraw/zinc/24/19/97/1044241997.db2.gz WHYCKQKAQULVAX-KRWDZBQOSA-N -1 3 311.381 4.020 20 0 DIADHM C[C@H](c1ccccc1Cl)N(Cc1ncccc1[O-])C1CC1 ZINC000563570791 1044283743 /nfs/dbraw/zinc/28/37/43/1044283743.db2.gz JUFLJAKXBYUDEC-GFCCVEGCSA-N -1 3 302.805 4.166 20 0 DIADHM Cc1cccnc1[C@@H](NCc1cccc([O-])c1Cl)C(C)C ZINC000293518240 1044293956 /nfs/dbraw/zinc/29/39/56/1044293956.db2.gz ILJFLCXQXMZDCR-INIZCTEOSA-N -1 3 304.821 4.236 20 0 DIADHM CCOc1cccc([C@H](C)NCc2cccc([O-])c2Cl)c1 ZINC000293679792 1044313190 /nfs/dbraw/zinc/31/31/90/1044313190.db2.gz VJONYXCMZQPWBU-LBPRGKRZSA-N -1 3 305.805 4.295 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(C2CC2)oc1C1CC1 ZINC000935138513 1044315465 /nfs/dbraw/zinc/31/54/65/1044315465.db2.gz ULPPVRRDYVKMDK-UHFFFAOYSA-N -1 3 301.317 4.131 20 0 DIADHM COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1C1CC1 ZINC000444335180 1044342152 /nfs/dbraw/zinc/34/21/52/1044342152.db2.gz FPPLFFIQJPJGFF-UHFFFAOYSA-N -1 3 317.772 4.184 20 0 DIADHM CC[C@@]1(C)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000564463076 1044385138 /nfs/dbraw/zinc/38/51/38/1044385138.db2.gz QEMQHLWZHIAHCY-ZFWWWQNUSA-N -1 3 316.228 4.241 20 0 DIADHM COc1ccc([C@@H](NCc2cccc([O-])c2Cl)C2CC2)cc1 ZINC000294249290 1044399498 /nfs/dbraw/zinc/39/94/98/1044399498.db2.gz UMXBERLQFUTLDP-SFHVURJKSA-N -1 3 317.816 4.295 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)c1ccc(F)cc1 ZINC000564762005 1044402540 /nfs/dbraw/zinc/40/25/40/1044402540.db2.gz UPWWVBIUYWNVNO-NSHDSACASA-N -1 3 321.779 4.408 20 0 DIADHM CC(C)OCc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000294320751 1044406231 /nfs/dbraw/zinc/40/62/31/1044406231.db2.gz QXPBOSVICYLUQZ-UHFFFAOYSA-N -1 3 307.340 4.208 20 0 DIADHM Cc1ccccc1[C@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000565355208 1044430443 /nfs/dbraw/zinc/43/04/43/1044430443.db2.gz ZPPPJQUQYNEOQT-GFCCVEGCSA-N -1 3 303.789 4.486 20 0 DIADHM O=C(Nc1cc2ccccc2cc1[O-])Nc1cc(F)ccc1F ZINC001202658037 1044444701 /nfs/dbraw/zinc/44/47/01/1044444701.db2.gz MDOGCEBJNSDAPW-UHFFFAOYSA-N -1 3 314.291 4.468 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1[O-] ZINC001137207235 1044503909 /nfs/dbraw/zinc/50/39/09/1044503909.db2.gz FZQLJHQAKYQFTR-UHFFFAOYSA-N -1 3 321.420 4.427 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(C2CC(F)(F)C2)no1 ZINC000296482844 1044623065 /nfs/dbraw/zinc/62/30/65/1044623065.db2.gz PFMMMOJFRORUAY-UHFFFAOYSA-N -1 3 302.280 4.108 20 0 DIADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cccc(Cl)c1Cl ZINC000568535178 1044631867 /nfs/dbraw/zinc/63/18/67/1044631867.db2.gz UNFMIIJLYBUXRO-SCVCMEIPSA-N -1 3 316.228 4.067 20 0 DIADHM COc1cccc(-c2nc(C(C)(C)C3CCCCC3)no2)c1[O-] ZINC000445503917 1044736919 /nfs/dbraw/zinc/73/69/19/1044736919.db2.gz NTNZOHFKGRLVCN-UHFFFAOYSA-N -1 3 316.401 4.309 20 0 DIADHM Cc1ccc(-c2nc(Cc3ccc(Cl)cc3C)no2)c([O-])c1 ZINC000445589076 1044762983 /nfs/dbraw/zinc/76/29/83/1044762983.db2.gz QANGCMVYACJSAU-UHFFFAOYSA-N -1 3 314.772 4.303 20 0 DIADHM Cc1ccc(OCCC(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000571008451 1044795563 /nfs/dbraw/zinc/79/55/63/1044795563.db2.gz ZTJFHNLNPACRGT-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ncc(C(C)(C)C)o2)n1 ZINC000125719117 1044805199 /nfs/dbraw/zinc/80/51/99/1044805199.db2.gz VMVGLIXKOFEMHF-SNVBAGLBSA-N -1 3 321.446 4.025 20 0 DIADHM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccsc1 ZINC000576234151 1045045374 /nfs/dbraw/zinc/04/53/74/1045045374.db2.gz XGTRZRRTCLOZBA-ZDUSSCGKSA-N -1 3 307.440 4.153 20 0 DIADHM CCN(Cc1cccnc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114634 1045114649 /nfs/dbraw/zinc/11/46/49/1045114649.db2.gz MBMMFQSLNRNXAP-UHFFFAOYSA-N -1 3 311.212 4.116 20 0 DIADHM [O-]c1cc(Cl)c(CN2Cc3cccc(F)c3C2)c(Cl)c1 ZINC001142115033 1045115066 /nfs/dbraw/zinc/11/50/66/1045115066.db2.gz UQWVSMGCSHSVLO-UHFFFAOYSA-N -1 3 312.171 4.354 20 0 DIADHM CSc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1F ZINC000577427091 1045123120 /nfs/dbraw/zinc/12/31/20/1045123120.db2.gz VDDHSCWSJAGIGG-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM Cc1ncccc1CN(C)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118454 1045125276 /nfs/dbraw/zinc/12/52/76/1045125276.db2.gz MDEZBZDIVOSZKQ-UHFFFAOYSA-N -1 3 311.212 4.034 20 0 DIADHM CSc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000468575745 1045137560 /nfs/dbraw/zinc/13/75/60/1045137560.db2.gz HFNBPMSGNOZIRS-UHFFFAOYSA-N -1 3 319.401 4.215 20 0 DIADHM CC[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000577618728 1045143019 /nfs/dbraw/zinc/14/30/19/1045143019.db2.gz RHAMBIXSOTYMOT-NURSFMCSSA-N -1 3 316.228 4.240 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1)N(Cc1ccoc1C(=O)[O-])C1CC1 ZINC000577617986 1045143324 /nfs/dbraw/zinc/14/33/24/1045143324.db2.gz WJNYPLCHHNPIMA-NSHDSACASA-N -1 3 319.788 4.357 20 0 DIADHM Cc1ccccc1SCC(=O)Nc1c([O-])cccc1Cl ZINC000577846857 1045177109 /nfs/dbraw/zinc/17/71/09/1045177109.db2.gz 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CC(C)=CCC[C@@H](C)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901628827 1045782019 /nfs/dbraw/zinc/78/20/19/1045782019.db2.gz TYVKREYAWCOGEU-VQIMIIECSA-N -1 3 315.457 4.443 20 0 DIADHM CC(C)c1ccc(CCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000901646619 1045782778 /nfs/dbraw/zinc/78/27/78/1045782778.db2.gz QEXNVNLSEZIITC-UHFFFAOYSA-N -1 3 309.409 4.067 20 0 DIADHM COc1cccc([C@@H](C)CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000531237634 1045806449 /nfs/dbraw/zinc/80/64/49/1045806449.db2.gz OUDBEBKZDAWLCO-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM C[C@@H](NC(=S)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000753901409 1045814758 /nfs/dbraw/zinc/81/47/58/1045814758.db2.gz FOGJSODWFJISTL-SNVBAGLBSA-N -1 3 306.818 4.093 20 0 DIADHM CC(C)C[C@@]1(C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000452506643 1045822403 /nfs/dbraw/zinc/82/24/03/1045822403.db2.gz DZRXTBDCCZVHKC-LJQANCHMSA-N -1 3 321.436 4.281 20 0 DIADHM CC(C)N(CCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000901978597 1045882081 /nfs/dbraw/zinc/88/20/81/1045882081.db2.gz 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/nfs/dbraw/zinc/94/54/32/1045945432.db2.gz MQAYYDMILFOSTL-AWEZNQCLSA-N -1 3 321.829 4.267 20 0 DIADHM O=C([O-])c1ccc(-c2ccc(CNCC3=CCCCC3)o2)cc1 ZINC000902244992 1045956111 /nfs/dbraw/zinc/95/61/11/1045956111.db2.gz DOUOTVJKIDPPRA-UHFFFAOYSA-N -1 3 311.381 4.235 20 0 DIADHM CCc1nc([C@H](C)N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cs1 ZINC000902253164 1045958090 /nfs/dbraw/zinc/95/80/90/1045958090.db2.gz QKLWYAYXTPGJLO-MJBXVCDLSA-N -1 3 324.490 4.170 20 0 DIADHM C[C@@H]1C[C@@H]1[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000902326937 1045974602 /nfs/dbraw/zinc/97/46/02/1045974602.db2.gz YCHGIAJVVHUDFG-WKPIXPDZSA-N -1 3 319.788 4.118 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c([O-])c1 ZINC001137834151 1045978040 /nfs/dbraw/zinc/97/80/40/1045978040.db2.gz XKLFGCVLKARHNX-BFUOFWGJSA-N -1 3 309.409 4.008 20 0 DIADHM CSc1ccccc1[C@H](C)NCc1csc(C(=O)[O-])c1 ZINC000902380830 1045986497 /nfs/dbraw/zinc/98/64/97/1045986497.db2.gz LPXNNLRFIIIECZ-JTQLQIEISA-N -1 3 307.440 4.019 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cscc1C(F)F ZINC001138015131 1046056705 /nfs/dbraw/zinc/05/67/05/1046056705.db2.gz RKPIXYUBXKOHHS-UHFFFAOYSA-N -1 3 303.717 4.297 20 0 DIADHM CC1=C(C)C[C@H](C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001138016206 1046058105 /nfs/dbraw/zinc/05/81/05/1046058105.db2.gz JRMGPXHKNBFZBV-LLVKDONJSA-N -1 3 324.218 4.230 20 0 DIADHM CSc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001138015143 1046058423 /nfs/dbraw/zinc/05/84/23/1046058423.db2.gz RRJUNWNAGVMILF-UHFFFAOYSA-N -1 3 321.829 4.339 20 0 DIADHM COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC001138281561 1046136326 /nfs/dbraw/zinc/13/63/26/1046136326.db2.gz NIWRWOFNRCOVSU-KGLIPLIRSA-N -1 3 319.445 4.126 20 0 DIADHM O=C([N-]c1nnc(C2CC2)s1)c1cc2cccc(Cl)c2o1 ZINC000084515573 1046144045 /nfs/dbraw/zinc/14/40/45/1046144045.db2.gz FECMQASTABMKKI-UHFFFAOYSA-N -1 3 319.773 4.067 20 0 DIADHM [O-]c1cccnc1CN1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001138394302 1046164516 /nfs/dbraw/zinc/16/45/16/1046164516.db2.gz NAQXGVBPJVIOPI-NSHDSACASA-N -1 3 323.223 4.084 20 0 DIADHM CN(Cc1ccccc1Oc1ccccc1)Cc1ncccc1[O-] ZINC001138394360 1046165520 /nfs/dbraw/zinc/16/55/20/1046165520.db2.gz QPCHEJJTFUYAJE-UHFFFAOYSA-N -1 3 320.392 4.212 20 0 DIADHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1F ZINC000635017809 1046173629 /nfs/dbraw/zinc/17/36/29/1046173629.db2.gz JTNAGROKXMZIIM-UHFFFAOYSA-N -1 3 322.207 4.065 20 0 DIADHM CC[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC001138452022 1046187007 /nfs/dbraw/zinc/18/70/07/1046187007.db2.gz LQTBBMWKKFDOSV-CRAIPNDOSA-N -1 3 323.436 4.244 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263113144 1046243074 /nfs/dbraw/zinc/24/30/74/1046243074.db2.gz BVNWUFZDVHVXNY-MXWKQRLJSA-N -1 3 316.228 4.097 20 0 DIADHM CC(C)[C@@H]1CCCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903890951 1046337191 /nfs/dbraw/zinc/33/71/91/1046337191.db2.gz GWPNZFPRWUYZQJ-NSHDSACASA-N -1 3 319.323 4.007 20 0 DIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1Cl ZINC000235858041 1046412832 /nfs/dbraw/zinc/41/28/32/1046412832.db2.gz BHUTVBHPEVVHMY-CYBMUJFWSA-N -1 3 309.818 4.016 20 0 DIADHM CC(C)CCC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229100664 1046418915 /nfs/dbraw/zinc/41/89/15/1046418915.db2.gz UOOLPJGELIOQIR-JTQLQIEISA-N -1 3 317.223 4.454 20 0 DIADHM COc1ccccc1CO[N-]C(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001139370572 1046440634 /nfs/dbraw/zinc/44/06/34/1046440634.db2.gz BRPPWXDTARJCDM-CABCVRRESA-N -1 3 319.445 4.096 20 0 DIADHM CCOc1ccccc1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212310 1046474941 /nfs/dbraw/zinc/47/49/41/1046474941.db2.gz LLYUWYYFHNQPQJ-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CC(C)Oc1ccccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211953 1046474994 /nfs/dbraw/zinc/47/49/94/1046474994.db2.gz MUGFXHOFBTZBAO-UHFFFAOYSA-N -1 3 319.788 4.014 20 0 DIADHM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212413 1046475395 /nfs/dbraw/zinc/47/53/95/1046475395.db2.gz OARRDAIKXBDAIQ-LBPRGKRZSA-N -1 3 319.788 4.089 20 0 DIADHM CCN(Cc1ccncc1[O-])Cc1ccc(Cl)cc1Cl ZINC001140281941 1046638048 /nfs/dbraw/zinc/63/80/48/1046638048.db2.gz JTWHMVLUKPQTBQ-UHFFFAOYSA-N -1 3 311.212 4.116 20 0 DIADHM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533159581 1046660609 /nfs/dbraw/zinc/66/06/09/1046660609.db2.gz KBRZDWYTHFXXNT-LLVKDONJSA-N -1 3 321.829 4.306 20 0 DIADHM CSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])cs2)cc1 ZINC000095004681 1046697149 /nfs/dbraw/zinc/69/71/49/1046697149.db2.gz WGJNYGKTFMPBBF-SNVBAGLBSA-N -1 3 307.440 4.019 20 0 DIADHM Cc1ccccc1C1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000644048928 1046697725 /nfs/dbraw/zinc/69/77/25/1046697725.db2.gz MTUGAXHXDMNDER-UHFFFAOYSA-N -1 3 313.372 4.290 20 0 DIADHM CN(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C(=O)[O-] ZINC001140506677 1046757629 /nfs/dbraw/zinc/75/76/29/1046757629.db2.gz ZRGLXUMJNQAPBC-UHFFFAOYSA-N -1 3 323.314 4.036 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000533617318 1046768056 /nfs/dbraw/zinc/76/80/56/1046768056.db2.gz OXGXOFJCUFIJOA-ZYHUDNBSSA-N -1 3 323.726 4.066 20 0 DIADHM CC(C)COc1ccccc1CNCc1cccc([O-])c1Cl ZINC000645150403 1046769714 /nfs/dbraw/zinc/76/97/14/1046769714.db2.gz LTZWZRNURIABGU-UHFFFAOYSA-N -1 3 319.832 4.370 20 0 DIADHM Cc1nc(Nc2ccc([O-])c(F)c2F)c(Cl)cc1Cl ZINC001211999990 1046795842 /nfs/dbraw/zinc/79/58/42/1046795842.db2.gz GHJSWAQBWNVKJN-UHFFFAOYSA-N -1 3 305.111 4.424 20 0 DIADHM [O-]c1ccc(Nc2ncc(Cl)cc2C(F)(F)F)c(F)c1F ZINC001212003348 1046811879 /nfs/dbraw/zinc/81/18/79/1046811879.db2.gz XWRBIFYCNNWOJU-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(Nc2ccc(Br)cc2)c(F)c1F ZINC001212007590 1046815023 /nfs/dbraw/zinc/81/50/23/1046815023.db2.gz PHQFPAYZCGECLX-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM [O-]c1ccc(Nc2ccccc2OCC(F)(F)F)c(F)c1F ZINC001212013867 1046821219 /nfs/dbraw/zinc/82/12/19/1046821219.db2.gz NJRWFAREEQEGFK-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM [O-]c1ccc(Nc2ccc(Cc3cccnc3)cc2)c(F)c1F ZINC001212013707 1046822480 /nfs/dbraw/zinc/82/24/80/1046822480.db2.gz FZHFGJRQRKERGY-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(Nc3ccc([O-])c(F)c3F)cc21 ZINC001212016156 1046824189 /nfs/dbraw/zinc/82/41/89/1046824189.db2.gz AJXGBBWTYSRKMI-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC(c2ccc(F)cc2)C1 ZINC000645859622 1046824800 /nfs/dbraw/zinc/82/48/00/1046824800.db2.gz DGQKFRFFWOTPCO-UHFFFAOYSA-N -1 3 319.763 4.317 20 0 DIADHM CCc1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)c([O-])c1 ZINC001137373206 1046841305 /nfs/dbraw/zinc/84/13/05/1046841305.db2.gz SENGUNAKSIEPEJ-UHFFFAOYSA-N -1 3 323.436 4.097 20 0 DIADHM [O-]c1cccc2sc(Nc3cccc(OC(F)F)c3)nc21 ZINC001212053814 1046847494 /nfs/dbraw/zinc/84/74/94/1046847494.db2.gz HXCSVZYHMBFKTB-UHFFFAOYSA-N -1 3 308.309 4.347 20 0 DIADHM [O-]c1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1Cl ZINC000646087846 1046851845 /nfs/dbraw/zinc/85/18/45/1046851845.db2.gz SLCQGVZZNJRXOE-MRXNPFEDSA-N -1 3 319.857 4.336 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H]2c2ccc(O)cc2)c1Cl ZINC000646065655 1046852210 /nfs/dbraw/zinc/85/22/10/1046852210.db2.gz PLUGMIJHRZMLGW-OAHLLOKOSA-N -1 3 303.789 4.088 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(C)C)c1 ZINC001137377448 1046871837 /nfs/dbraw/zinc/87/18/37/1046871837.db2.gz MBOFQNMNFVLDQE-CYBMUJFWSA-N -1 3 307.459 4.155 20 0 DIADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000646488045 1046905658 /nfs/dbraw/zinc/90/56/58/1046905658.db2.gz ULMYMELSWZIVDI-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM CC(C)[C@@H]1N(C(=O)c2cc([O-])c3ccccc3c2)CC12CCC2 ZINC000646547710 1046908622 /nfs/dbraw/zinc/90/86/22/1046908622.db2.gz MHCINOAQSIBJRS-SFHVURJKSA-N -1 3 309.409 4.196 20 0 DIADHM [O-]c1ccc(CN2CCCC[C@@H]2c2ccccc2)c(F)c1F ZINC001140889974 1046944697 /nfs/dbraw/zinc/94/46/97/1046944697.db2.gz RZBQFLZAWFFASL-OAHLLOKOSA-N -1 3 303.352 4.398 20 0 DIADHM CC[C@H]1c2ccccc2CCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990674 1046969975 /nfs/dbraw/zinc/96/99/75/1046969975.db2.gz MUENHHDJCIUIFF-KRWDZBQOSA-N -1 3 303.352 4.180 20 0 DIADHM COc1ccc([C@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001140989934 1046970391 /nfs/dbraw/zinc/97/03/91/1046970391.db2.gz HCBPSNTZLVCANB-QGZVFWFLSA-N -1 3 319.351 4.016 20 0 DIADHM Cc1nnc(-c2ccc(Nc3nc4c(cccc4[O-])s3)cc2)o1 ZINC001203086994 1046982064 /nfs/dbraw/zinc/98/20/64/1046982064.db2.gz ORLPKMDEIWCVOL-UHFFFAOYSA-N -1 3 324.365 4.104 20 0 DIADHM CCCN(CC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000263404867 1046988763 /nfs/dbraw/zinc/98/87/63/1046988763.db2.gz JHSVTFFHFRXIML-UHFFFAOYSA-N -1 3 315.866 4.137 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC2(CCCC2)CC1 ZINC001141321821 1047088931 /nfs/dbraw/zinc/08/89/31/1047088931.db2.gz SFHITFJIQFPKQD-UHFFFAOYSA-N -1 3 315.438 4.403 20 0 DIADHM O=C(N[C@H](C1CCC1)C1CCCC1)c1cc([O-])ccc1Cl ZINC000649004589 1047103196 /nfs/dbraw/zinc/10/31/96/1047103196.db2.gz BLJWWMNCJOEMJR-INIZCTEOSA-N -1 3 307.821 4.134 20 0 DIADHM Cc1ccc(C2(NC(=O)c3cc([O-])ccc3Cl)CCC2)cc1 ZINC000649165286 1047115579 /nfs/dbraw/zinc/11/55/79/1047115579.db2.gz GTNAHKDBAOBFBK-UHFFFAOYSA-N -1 3 315.800 4.163 20 0 DIADHM CCc1ccc([C@@H]2CCN(C(=O)c3cc(CC)ccc3[O-])C2)cc1 ZINC001141526512 1047163227 /nfs/dbraw/zinc/16/32/27/1047163227.db2.gz BHLSRJRZJQWQQK-GOSISDBHSA-N -1 3 323.436 4.147 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3cnccc3o2)CC)n1 ZINC000650061935 1047208003 /nfs/dbraw/zinc/20/80/03/1047208003.db2.gz WCJLDHNHNBHJAF-WQLSENKSSA-N -1 3 309.369 4.227 20 0 DIADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(C)cc2)s1 ZINC000650806656 1047281986 /nfs/dbraw/zinc/28/19/86/1047281986.db2.gz FZBQZYXXQKZUMX-HNNXBMFYSA-N -1 3 303.427 4.019 20 0 DIADHM Cc1ccc(CC2CCN(C(=O)c3ccccc3[O-])CC2)cc1C ZINC001141736433 1047283359 /nfs/dbraw/zinc/28/33/59/1047283359.db2.gz ZOVNTAIUBSRELL-UHFFFAOYSA-N -1 3 323.436 4.104 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)c([O-])c1 ZINC001141875666 1047303541 /nfs/dbraw/zinc/30/35/41/1047303541.db2.gz DCBBBGGTQOTWQA-SFHVURJKSA-N -1 3 311.425 4.472 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cscc1C(F)(F)F ZINC001466257274 1047310882 /nfs/dbraw/zinc/31/08/82/1047310882.db2.gz ABPYAQLWRVMJHG-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM O=C([O-])[C@H]1CN(CCCC2CCCCC2)Cc2ccccc21 ZINC000395177259 1047324010 /nfs/dbraw/zinc/32/40/10/1047324010.db2.gz OAZAVOJHSVTFGS-SFHVURJKSA-N -1 3 301.430 4.031 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001141995546 1047336791 /nfs/dbraw/zinc/33/67/91/1047336791.db2.gz STYJCJQCXUPXRX-PKOBYXMFSA-N -1 3 323.436 4.363 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC1(CC(=O)[O-])CC1 ZINC000652389315 1047358773 /nfs/dbraw/zinc/35/87/73/1047358773.db2.gz NSXCWYUHDYOTEY-JTQLQIEISA-N -1 3 316.228 4.241 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001142105698 1047381888 /nfs/dbraw/zinc/38/18/88/1047381888.db2.gz KIDCQEQTIRIRIX-INIZCTEOSA-N -1 3 323.223 4.431 20 0 DIADHM COc1cccc2c1CN(Cc1c(Cl)cc([O-])cc1Cl)C2 ZINC001142118150 1047382246 /nfs/dbraw/zinc/38/22/46/1047382246.db2.gz BRDZLCFTGRKRHE-UHFFFAOYSA-N -1 3 324.207 4.223 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC001142114675 1047383161 /nfs/dbraw/zinc/38/31/61/1047383161.db2.gz MRFKAQOOUMJWIQ-LBPRGKRZSA-N -1 3 323.223 4.084 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@H]2c2ccncc2)c(Cl)c1 ZINC001142114266 1047383788 /nfs/dbraw/zinc/38/37/88/1047383788.db2.gz DKFZCSHZMVGFHP-INIZCTEOSA-N -1 3 323.223 4.431 20 0 DIADHM CN(CC(=O)c1ccccc1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118660 1047383856 /nfs/dbraw/zinc/38/38/56/1047383856.db2.gz VLLKSIGREBFDMC-UHFFFAOYSA-N -1 3 324.207 4.014 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC001142114792 1047384098 /nfs/dbraw/zinc/38/40/98/1047384098.db2.gz OYBGCDPXJGSDGQ-INIZCTEOSA-N -1 3 323.223 4.431 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC001142142202 1047389701 /nfs/dbraw/zinc/38/97/01/1047389701.db2.gz LMOGVBJCILIQHS-UHFFFAOYSA-N -1 3 323.436 4.397 20 0 DIADHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C[C@@H](c2ccccc2)C1 ZINC001142149170 1047390263 /nfs/dbraw/zinc/39/02/63/1047390263.db2.gz GEZAAVZZGQYZEP-BHYGNILZSA-N -1 3 309.409 4.094 20 0 DIADHM Cc1ccc(CCNC(=O)c2ccc(C(C)C)cc2[O-])c(C)c1 ZINC001142424125 1047444902 /nfs/dbraw/zinc/44/49/02/1047444902.db2.gz JZXMMCPHTLFJJG-UHFFFAOYSA-N -1 3 311.425 4.105 20 0 DIADHM CN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142656855 1047475647 /nfs/dbraw/zinc/47/56/47/1047475647.db2.gz KQYHQWYBRVMASE-UHFFFAOYSA-N -1 3 324.207 4.324 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC001142662737 1047477041 /nfs/dbraw/zinc/47/70/41/1047477041.db2.gz SYCOJZUPJVYXGG-UHFFFAOYSA-N -1 3 321.380 4.097 20 0 DIADHM O=C(Nc1cccc2ccncc21)c1cc2c(cc1[O-])CCCC2 ZINC001149821486 1047570378 /nfs/dbraw/zinc/57/03/78/1047570378.db2.gz YENNRJZDIBHIEG-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM CCCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1C ZINC001149995201 1047573265 /nfs/dbraw/zinc/57/32/65/1047573265.db2.gz IHGAEXLHAMOYBZ-UHFFFAOYSA-N -1 3 313.397 4.359 20 0 DIADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001150216184 1047575222 /nfs/dbraw/zinc/57/52/22/1047575222.db2.gz LTCYETZTILHYFI-IYBDPMFKSA-N -1 3 323.436 4.190 20 0 DIADHM Cc1c2cc(Cl)ccc2[nH]c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001150732069 1047581992 /nfs/dbraw/zinc/58/19/92/1047581992.db2.gz OVIWOEDOAAJHPY-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc2c(s1)CCCC2 ZINC001150814499 1047585598 /nfs/dbraw/zinc/58/55/98/1047585598.db2.gz JGXCYIOUUOIXKC-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM Cc1cccc2[nH]c(C(=O)Nc3cc([O-])cc(Cl)c3)cc21 ZINC001151077913 1047591033 /nfs/dbraw/zinc/59/10/33/1047591033.db2.gz UWAQDRVKJUHDJO-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1ccc([C@@H](C)NCc2cccc([O-])c2Br)cc1 ZINC000315378570 1047605115 /nfs/dbraw/zinc/60/51/15/1047605115.db2.gz HAWXAHWXZNCOGN-GFCCVEGCSA-N -1 3 320.230 4.314 20 0 DIADHM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1ccccc1[O-] ZINC001153177839 1047620656 /nfs/dbraw/zinc/62/06/56/1047620656.db2.gz NKCFMUASVSCSKC-RHSMWYFYSA-N -1 3 309.409 4.189 20 0 DIADHM CCC(F)(F)C(=O)[N-]C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC001153421889 1047623594 /nfs/dbraw/zinc/62/35/94/1047623594.db2.gz XBGWLGVYYXUDTF-UHFFFAOYSA-N -1 3 309.278 4.102 20 0 DIADHM C[C@@H]1CCc2c(C(=O)Nc3ccc(Cl)cc3[O-])csc2C1 ZINC001153461349 1047625059 /nfs/dbraw/zinc/62/50/59/1047625059.db2.gz MGGHRGWJNKEVBW-SECBINFHSA-N -1 3 321.829 4.484 20 0 DIADHM C[C@H]1CCc2c(C(=O)Nc3ccc(Cl)cc3[O-])csc2C1 ZINC001153461350 1047625237 /nfs/dbraw/zinc/62/52/37/1047625237.db2.gz MGGHRGWJNKEVBW-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM O=C(Nc1cc(Br)ccc1[O-])C12CCC(CC1)CC2 ZINC001153474181 1047626333 /nfs/dbraw/zinc/62/63/33/1047626333.db2.gz TXWXTDJEKNYBDO-UHFFFAOYSA-N -1 3 324.218 4.064 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c([O-])c1 ZINC001153816034 1047632816 /nfs/dbraw/zinc/63/28/16/1047632816.db2.gz KTYCSYJFXFATSD-AWEZNQCLSA-N -1 3 323.436 4.324 20 0 DIADHM C[C@H](CCNC(=O)CCCc1ccc([O-])c(F)c1)CC(C)(C)C ZINC001154339184 1047645623 /nfs/dbraw/zinc/64/56/23/1047645623.db2.gz LSTFURNWWUNWKE-CQSZACIVSA-N -1 3 323.452 4.433 20 0 DIADHM CCc1cccc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c1[O-] ZINC001154965231 1047663944 /nfs/dbraw/zinc/66/39/44/1047663944.db2.gz RWYDVAQQVHCYDL-UHFFFAOYSA-N -1 3 323.436 4.455 20 0 DIADHM CC(C)c1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000041330852 1047695653 /nfs/dbraw/zinc/69/56/53/1047695653.db2.gz DFIQILZIGCENGP-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)c([O-])c1 ZINC001156426466 1047712385 /nfs/dbraw/zinc/71/23/85/1047712385.db2.gz ABWJAJKTFZPVJM-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(F)nc(C(F)(F)F)c1 ZINC001213008906 1047742795 /nfs/dbraw/zinc/74/27/95/1047742795.db2.gz IISXYSOWUTVGDI-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM CC(C)(C)[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000478484658 1047792186 /nfs/dbraw/zinc/79/21/86/1047792186.db2.gz CREBOFZHCCQJGN-HNNXBMFYSA-N -1 3 321.436 4.139 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@]2(C)CC(C)C)c1 ZINC001158939453 1047805926 /nfs/dbraw/zinc/80/59/26/1047805926.db2.gz DSVNGZQSKQSFKX-QGZVFWFLSA-N -1 3 307.459 4.155 20 0 DIADHM CC(C)CO[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC001183058525 1047888718 /nfs/dbraw/zinc/88/87/18/1047888718.db2.gz SLRXSJHHLJHECU-UHFFFAOYSA-N -1 3 305.462 4.401 20 0 DIADHM CCOc1cccc(/C=C/C(=O)Nc2c([O-])cccc2Cl)c1 ZINC001159658096 1047895573 /nfs/dbraw/zinc/89/55/73/1047895573.db2.gz PESZRZIXNSUJRS-MDZDMXLPSA-N -1 3 317.772 4.096 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001197962552 1047908996 /nfs/dbraw/zinc/90/89/96/1047908996.db2.gz RXBZNNSCKBNHAC-UHFFFAOYSA-N -1 3 306.312 4.009 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001198083380 1047923475 /nfs/dbraw/zinc/92/34/75/1047923475.db2.gz SZLBFUCHARHPOT-UHFFFAOYSA-N -1 3 304.777 4.384 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001198082581 1047924011 /nfs/dbraw/zinc/92/40/11/1047924011.db2.gz ZJRBFOLIMKHABG-UHFFFAOYSA-N -1 3 304.777 4.384 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C)c(Cl)c1C ZINC001198228164 1047938179 /nfs/dbraw/zinc/93/81/79/1047938179.db2.gz JRJXAXRVZPVKCN-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM Cc1cc2cc[nH]c2c(C(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001198707569 1048001875 /nfs/dbraw/zinc/00/18/75/1048001875.db2.gz TYLBSHHUEUKNHX-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Nc1ccc(Br)cc1Nc1cccc(Cl)c1[O-] ZINC001160278928 1048021344 /nfs/dbraw/zinc/02/13/44/1048021344.db2.gz VAZISNHYQMNYNR-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM [O-]c1cccc(Nc2cccc3ncccc32)c1Br ZINC001174909515 1048021885 /nfs/dbraw/zinc/02/18/85/1048021885.db2.gz RUDOGIHVPUFQJQ-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM CCC[C@](C)(NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001184290199 1048025317 /nfs/dbraw/zinc/02/53/17/1048025317.db2.gz JHIKBHHWFPCRPO-SFHVURJKSA-N -1 3 305.368 4.476 20 0 DIADHM [O-]c1ccc(CNc2cccc(Oc3ccccc3)n2)cc1F ZINC001184292444 1048026274 /nfs/dbraw/zinc/02/62/74/1048026274.db2.gz ZLHQVBJZWWLMJO-UHFFFAOYSA-N -1 3 310.328 4.331 20 0 DIADHM CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160312338 1048031159 /nfs/dbraw/zinc/03/11/59/1048031159.db2.gz BHEIXKXEGQRESO-AWEZNQCLSA-N -1 3 303.402 4.140 20 0 DIADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1ncc(C(C)(C)C)o1 ZINC000775929899 1048031335 /nfs/dbraw/zinc/03/13/35/1048031335.db2.gz MOVMDQDBNXIWLL-SECBINFHSA-N -1 3 323.776 4.249 20 0 DIADHM COCc1ccc(Nc2cccc([O-])c2Br)cc1 ZINC001174923440 1048031987 /nfs/dbraw/zinc/03/19/87/1048031987.db2.gz AKUOTZFGDXKBHK-UHFFFAOYSA-N -1 3 308.175 4.045 20 0 DIADHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001184523821 1048049220 /nfs/dbraw/zinc/04/92/20/1048049220.db2.gz KBKAKBKDNKNFNI-SNVBAGLBSA-N -1 3 324.273 4.096 20 0 DIADHM CCc1ccc2nc(NC(=O)c3cc(C)ccc3[O-])sc2c1 ZINC001160432159 1048049621 /nfs/dbraw/zinc/04/96/21/1048049621.db2.gz NQGACLCXNAWKQH-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM COc1cccc(F)c1Nc1cccc([O-])c1Br ZINC001174995092 1048061712 /nfs/dbraw/zinc/06/17/12/1048061712.db2.gz KUXBBDHJOLYUMV-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM CCCCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001184648438 1048073286 /nfs/dbraw/zinc/07/32/86/1048073286.db2.gz KURPNFRXGSWLEW-UHFFFAOYSA-N -1 3 324.273 4.160 20 0 DIADHM CC(C)(C)Sc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC001160693812 1048077654 /nfs/dbraw/zinc/07/76/54/1048077654.db2.gz VXGZZGGWIOMTLO-UHFFFAOYSA-N -1 3 317.410 4.241 20 0 DIADHM CCOc1cc(F)c(Nc2ccc([O-])c(F)c2F)cc1F ZINC001175056181 1048114227 /nfs/dbraw/zinc/11/42/27/1048114227.db2.gz KJSGXVMKHXRKIO-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1c(F)cc([O-])cc1F ZINC001175099743 1048115858 /nfs/dbraw/zinc/11/58/58/1048115858.db2.gz RBFZQCQGACENGN-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM [O-]c1cc(F)c(Nc2ccccc2OCC(F)(F)F)c(F)c1 ZINC001175099806 1048115947 /nfs/dbraw/zinc/11/59/47/1048115947.db2.gz UHYYNUZHEKKLKL-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM Nc1cc(F)cc(C(F)(F)F)c1Nc1c(F)cc([O-])cc1F ZINC001175102267 1048118368 /nfs/dbraw/zinc/11/83/68/1048118368.db2.gz FJXZRVSMXKLOFL-UHFFFAOYSA-N -1 3 322.208 4.154 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(OC(F)(F)F)ccc2O)c(F)c1 ZINC001175103647 1048120032 /nfs/dbraw/zinc/12/00/32/1048120032.db2.gz UWVHRTVPLFWSAJ-UHFFFAOYSA-N -1 3 321.201 4.018 20 0 DIADHM COc1ccc(Nc2ccc([O-])c(F)c2F)cc1C(F)(F)F ZINC001175071284 1048126166 /nfs/dbraw/zinc/12/61/66/1048126166.db2.gz OJDDVQBYBHOWPE-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CCOc1cccc(Nc2cccc([O-])c2Br)c1 ZINC001175093922 1048141459 /nfs/dbraw/zinc/14/14/59/1048141459.db2.gz OCESMGCKSXINPF-UHFFFAOYSA-N -1 3 308.175 4.297 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(OC(F)(F)F)cc2F)c(F)c1 ZINC001175097724 1048142089 /nfs/dbraw/zinc/14/20/89/1048142089.db2.gz VXGNFJRUKITZRH-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(Cl)c(Cl)cc2O)c(F)c1 ZINC001175096520 1048142264 /nfs/dbraw/zinc/14/22/64/1048142264.db2.gz CMGZZJRAGVKSHC-UHFFFAOYSA-N -1 3 306.095 4.426 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(F)c(OC(F)(F)F)c2)c(F)c1 ZINC001175098103 1048142475 /nfs/dbraw/zinc/14/24/75/1048142475.db2.gz YJWJVWCOQZAFJK-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(OCC(F)(F)F)cc2)c(F)c1 ZINC001175096849 1048142509 /nfs/dbraw/zinc/14/25/09/1048142509.db2.gz KHEPBPGDBOYGLA-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM COc1ccc(F)c([N-]c2cc(-c3cccs3)no2)c1F ZINC001175120034 1048150732 /nfs/dbraw/zinc/15/07/32/1048150732.db2.gz BYQVQVNWNOACDH-UHFFFAOYSA-N -1 3 308.309 4.434 20 0 DIADHM Fc1cc(F)c([N-]c2snnc2-c2ccccc2)c(F)c1 ZINC001175144017 1048166572 /nfs/dbraw/zinc/16/65/72/1048166572.db2.gz KXLMWLOFMNJUOR-UHFFFAOYSA-N -1 3 307.300 4.366 20 0 DIADHM Cc1cc(NC(=S)Nc2c([O-])cccc2Cl)ccc1F ZINC001201037776 1048185093 /nfs/dbraw/zinc/18/50/93/1048185093.db2.gz IUUXPAVMUYPVJV-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM C[C@@H](CC(=O)[N-]Oc1ccccc1)c1ccccc1C(F)(F)F ZINC000773470268 1048185865 /nfs/dbraw/zinc/18/58/65/1048185865.db2.gz NVZCIEHNRWTDRI-LBPRGKRZSA-N -1 3 323.314 4.309 20 0 DIADHM [O-]c1c(F)cc(Nc2cccc(O[C@@H]3CCCCO3)c2)cc1F ZINC001175188176 1048191790 /nfs/dbraw/zinc/19/17/90/1048191790.db2.gz VCGLVQYELBCGMI-MRXNPFEDSA-N -1 3 321.323 4.319 20 0 DIADHM CSc1ccc(NC(=S)Nc2c([O-])cccc2F)cc1 ZINC001201185286 1048210600 /nfs/dbraw/zinc/21/06/00/1048210600.db2.gz NSKAYKXVKKMBPT-UHFFFAOYSA-N -1 3 308.403 4.062 20 0 DIADHM O=C(Nc1ccc2c(c1)CCC2)Nc1c([O-])cccc1Cl ZINC001185764418 1048223120 /nfs/dbraw/zinc/22/31/20/1048223120.db2.gz ZJGLVWIMLOARSH-UHFFFAOYSA-N -1 3 302.761 4.178 20 0 DIADHM CCOc1ccc(F)c(F)c1Nc1c(F)cc([O-])cc1F ZINC001175281559 1048227705 /nfs/dbraw/zinc/22/77/05/1048227705.db2.gz MYMPAOXXZSJJDL-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cn1ccc2cc(CNc3[n-]c(=O)c(Cl)cc3Cl)ccc21 ZINC001162166341 1048234821 /nfs/dbraw/zinc/23/48/21/1048234821.db2.gz QIWUHWVEDKZGNK-UHFFFAOYSA-N -1 3 322.195 4.198 20 0 DIADHM Cc1cccc(OCCC(=O)Nc2c([O-])cccc2Cl)c1C ZINC000554954265 1048237415 /nfs/dbraw/zinc/23/74/15/1048237415.db2.gz MEEIYFQXLWLHPF-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CC(C)OC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001175259303 1048242761 /nfs/dbraw/zinc/24/27/61/1048242761.db2.gz LIEUVHNIHRGJJM-UHFFFAOYSA-N -1 3 305.761 4.354 20 0 DIADHM [O-]c1ccc(F)c(Nc2ncc(Cl)cc2C(F)(F)F)c1F ZINC001175264535 1048243277 /nfs/dbraw/zinc/24/32/77/1048243277.db2.gz WFSGPSVZHSNBMO-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM CCc1cc(Nc2c(F)ccc([O-])c2F)n(-c2ccccc2)n1 ZINC001175263887 1048243902 /nfs/dbraw/zinc/24/39/02/1048243902.db2.gz VRVXNRFQMAEYQP-UHFFFAOYSA-N -1 3 315.323 4.162 20 0 DIADHM Cc1cc(Nc2c(F)ccc([O-])c2F)n(-c2ccccc2F)n1 ZINC001175262879 1048244623 /nfs/dbraw/zinc/24/46/23/1048244623.db2.gz AUKQKVKJJVSKGT-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(Br)ccc2F)c1F ZINC001175266368 1048245472 /nfs/dbraw/zinc/24/54/72/1048245472.db2.gz YKAFHEJYQWBGCP-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1cc(OC)c(Nc2c(F)ccc([O-])c2F)cc1Cl ZINC001175266205 1048245798 /nfs/dbraw/zinc/24/57/98/1048245798.db2.gz URJSSPZNOCWTMY-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM COc1ccc(Nc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001175266059 1048246336 /nfs/dbraw/zinc/24/63/36/1048246336.db2.gz UEPPVIUMXBDARG-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1cccc(Nc2c(F)ccc([O-])c2F)c1Br ZINC001175268347 1048246362 /nfs/dbraw/zinc/24/63/62/1048246362.db2.gz KRZXNWXCAMZVBK-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1cnn(-c2cccc(C)c2)c1Nc1c(F)ccc([O-])c1F ZINC001175265544 1048246937 /nfs/dbraw/zinc/24/69/37/1048246937.db2.gz FYQYXUWXTOYKOG-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccccc2OCC(F)(F)F)c1F ZINC001175269540 1048248642 /nfs/dbraw/zinc/24/86/42/1048248642.db2.gz HGWBCHXQAPOKBX-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM Cc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(F)c([O-])c1 ZINC001186267987 1048279077 /nfs/dbraw/zinc/27/90/77/1048279077.db2.gz UEGVVXDHJKXEEI-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM Nc1ccc(Nc2cccc([O-])c2Br)cc1Cl ZINC001212124154 1048288912 /nfs/dbraw/zinc/28/89/12/1048288912.db2.gz OWFGLLURWKOTIH-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM c1ccc(-c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC001175429576 1048304888 /nfs/dbraw/zinc/30/48/88/1048304888.db2.gz KRRFKVTYTAXUCD-UHFFFAOYSA-N -1 3 313.364 4.277 20 0 DIADHM c1ccc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)cc1 ZINC001175428468 1048305328 /nfs/dbraw/zinc/30/53/28/1048305328.db2.gz LDRKVJGNKZDUKY-UHFFFAOYSA-N -1 3 313.364 4.277 20 0 DIADHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC001186532909 1048315052 /nfs/dbraw/zinc/31/50/52/1048315052.db2.gz JTZMEZMFJIGMAO-UHFFFAOYSA-N -1 3 321.895 4.039 20 0 DIADHM Cc1cc(C)c(Cl)c([N-]c2nnc(Br)s2)c1 ZINC001201591268 1048325479 /nfs/dbraw/zinc/32/54/79/1048325479.db2.gz HSXLBGQEQOAMON-UHFFFAOYSA-N -1 3 318.627 4.314 20 0 DIADHM Cn1cc(CNc2ccc3c(c2)[N-]C(=S)C3)c2ccccc21 ZINC001162834931 1048370443 /nfs/dbraw/zinc/37/04/43/1048370443.db2.gz ZGCPCLFSDUBOSB-UHFFFAOYSA-N -1 3 307.422 4.086 20 0 DIADHM CCc1ccc2c(c1)[C@@H](NCc1cccc([O-])c1Cl)CCO2 ZINC001201921092 1048401598 /nfs/dbraw/zinc/40/15/98/1048401598.db2.gz ZHFBBCRLZXNICF-HNNXBMFYSA-N -1 3 317.816 4.221 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1ccccc1Cl ZINC001202053345 1048430771 /nfs/dbraw/zinc/43/07/71/1048430771.db2.gz ROCWADPIEQASNA-UHFFFAOYSA-N -1 3 303.705 4.232 20 0 DIADHM O=c1cc(Nc2cnn(C3CCCCC3)c2)[n-]n1-c1ccccc1 ZINC001175879050 1048469548 /nfs/dbraw/zinc/46/95/48/1048469548.db2.gz PIZDZTGARPIQHD-UHFFFAOYSA-N -1 3 323.400 4.023 20 0 DIADHM Cn1ccc2c1cccc2Nc1cccc([O-])c1Br ZINC001175868536 1048485216 /nfs/dbraw/zinc/48/52/16/1048485216.db2.gz NVSICRDMMDUUBN-UHFFFAOYSA-N -1 3 317.186 4.390 20 0 DIADHM COc1cccc(NC(=O)[N-]c2cc(-c3cccs3)no2)c1 ZINC001202269632 1048496741 /nfs/dbraw/zinc/49/67/41/1048496741.db2.gz UUYMENWANFCESD-UHFFFAOYSA-N -1 3 315.354 4.056 20 0 DIADHM O=C([N-]c1cc(-c2ccco2)no1)Nc1cccc(Cl)c1F ZINC001188385964 1048504820 /nfs/dbraw/zinc/50/48/20/1048504820.db2.gz PPSOFQKNFKTXLS-UHFFFAOYSA-N -1 3 321.695 4.371 20 0 DIADHM COc1cccc(NC(=O)Nc2cc3ccccc3cc2[O-])c1 ZINC001202277337 1048508655 /nfs/dbraw/zinc/50/86/55/1048508655.db2.gz SLLREXMOUJXSBI-UHFFFAOYSA-N -1 3 308.337 4.198 20 0 DIADHM Cc1cccc(NC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001202314811 1048522101 /nfs/dbraw/zinc/52/21/01/1048522101.db2.gz VRBOYWOWMCOCQV-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=c1cc(CSCc2ccccc2)nc(-c2ccccc2)[n-]1 ZINC001188540574 1048524114 /nfs/dbraw/zinc/52/41/14/1048524114.db2.gz ZWNBNXVSSLSSIZ-UHFFFAOYSA-N -1 3 308.406 4.283 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(c1ccccc1)c1ccccc1N ZINC001188649194 1048534091 /nfs/dbraw/zinc/53/40/91/1048534091.db2.gz UHHOWEQHTVJJDB-UHFFFAOYSA-N -1 3 318.376 4.261 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ncccc1-c1ccccc1 ZINC001188638760 1048540765 /nfs/dbraw/zinc/54/07/65/1048540765.db2.gz PUZCTRBPCGGPNH-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1ccc(NC(=O)Nc2c([O-])cccc2C(F)(F)F)cc1 ZINC001202432760 1048558769 /nfs/dbraw/zinc/55/87/69/1048558769.db2.gz MPEGILXAGOFYAR-UHFFFAOYSA-N -1 3 310.275 4.363 20 0 DIADHM COc1ccc(F)c([N-]c2cc(C(F)(F)F)no2)c1Cl ZINC001250305616 1048576293 /nfs/dbraw/zinc/57/62/93/1048576293.db2.gz QBAVPWBXAPDOJM-UHFFFAOYSA-N -1 3 310.634 4.238 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1CC1CCCC1 ZINC001164105083 1048583579 /nfs/dbraw/zinc/58/35/79/1048583579.db2.gz RDJUJYYIQLXEMV-CYBMUJFWSA-N -1 3 307.821 4.231 20 0 DIADHM CCc1cc2c(CSCCCSC)cc(=O)oc2cc1[O-] ZINC001189514353 1048634453 /nfs/dbraw/zinc/63/44/53/1048634453.db2.gz ZZLRESKJXJKPIW-UHFFFAOYSA-N -1 3 324.467 4.047 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1ccsc1C(F)F ZINC001164569338 1048645236 /nfs/dbraw/zinc/64/52/36/1048645236.db2.gz QSXQHCPKFYULRY-UHFFFAOYSA-N -1 3 300.355 4.055 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(F)F)ccc2F)c([O-])c1C ZINC001165233114 1048667932 /nfs/dbraw/zinc/66/79/32/1048667932.db2.gz YCGIYTVWFNGRCI-UHFFFAOYSA-N -1 3 309.287 4.338 20 0 DIADHM Cc1cccc(C2=CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000568064541 1048675647 /nfs/dbraw/zinc/67/56/47/1048675647.db2.gz HTEUUBCYIXCVBP-CQSZACIVSA-N -1 3 311.381 4.137 20 0 DIADHM [O-]c1ccc(Nc2cc(F)cc(N3CCCC3)c2)c(F)c1F 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C[C@H]1CC(C)(C)c2cccc(NC([O-])=NO[C@@H]3CCCCO3)c21 ZINC001209453255 1050061697 /nfs/dbraw/zinc/06/16/97/1050061697.db2.gz KBEDOEDWXKQUHO-SWLSCSKDSA-N -1 3 318.417 4.051 20 0 DIADHM C[C@H]1CC(C)(C)c2cccc(NC(=O)[N-]O[C@@H]3CCCCO3)c21 ZINC001209453255 1050061702 /nfs/dbraw/zinc/06/17/02/1050061702.db2.gz KBEDOEDWXKQUHO-SWLSCSKDSA-N -1 3 318.417 4.051 20 0 DIADHM COc1cc(C(F)(F)F)ccc1Nc1cc([O-])c(F)cc1F ZINC001209884375 1050100399 /nfs/dbraw/zinc/10/03/99/1050100399.db2.gz UAOAZMOBURTDSV-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(O)c(C(F)(F)F)c2)c(F)c1 ZINC001209988176 1050118188 /nfs/dbraw/zinc/11/81/88/1050118188.db2.gz YYHQVIVJOGZJOC-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1cc(-c2ccccc2)on1 ZINC000591248316 1050133159 /nfs/dbraw/zinc/13/31/59/1050133159.db2.gz HEOUCXOOPBACQX-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM Cc1cc(Nc2cccc(Cl)c2[O-])cnc1Br ZINC001210215361 1050162019 /nfs/dbraw/zinc/16/20/19/1050162019.db2.gz 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COC(=O)c1cc(C)c(Nc2ccc(Cl)c([O-])c2)cc1C ZINC001212594153 1051686401 /nfs/dbraw/zinc/68/64/01/1051686401.db2.gz RKNHWCOCPQLPFQ-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM CSc1ccc(NCc2ncccc2[O-])c(C(F)(F)F)c1 ZINC001169731748 1051687521 /nfs/dbraw/zinc/68/75/21/1051687521.db2.gz GLMSDSLZVYHINF-UHFFFAOYSA-N -1 3 314.332 4.140 20 0 DIADHM COc1cnc2c(cccc2Nc2ccc(Cl)c([O-])c2)c1 ZINC001212594361 1051690215 /nfs/dbraw/zinc/69/02/15/1051690215.db2.gz XXHGGDGNYLARII-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM COC(=O)c1cc(C)c(C)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595404 1051701574 /nfs/dbraw/zinc/70/15/74/1051701574.db2.gz RXPCCXMKJFQCCG-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM COc1ccc2cccnc2c1Nc1ccc(Cl)c([O-])c1 ZINC001212595375 1051701842 /nfs/dbraw/zinc/70/18/42/1051701842.db2.gz QFRQTQORXOKHRW-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM COc1cc([N-]c2nc3cc(Cl)ccc3o2)c(Cl)cn1 ZINC001216385242 1051737739 /nfs/dbraw/zinc/73/77/39/1051737739.db2.gz KBPUARLPESVACT-UHFFFAOYSA-N -1 3 310.140 4.282 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Cc1cc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)ccc1F ZINC001216895863 1051904271 /nfs/dbraw/zinc/90/42/71/1051904271.db2.gz KRLXRSRRHJKJDM-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1ccc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c(F)c1 ZINC001216895736 1051904385 /nfs/dbraw/zinc/90/43/85/1051904385.db2.gz ICTPVDNFGAJLOS-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1cc(F)ccc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895924 1051904537 /nfs/dbraw/zinc/90/45/37/1051904537.db2.gz MJEHGVGWSJHQQN-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1ccncc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216907140 1051905515 /nfs/dbraw/zinc/90/55/15/1051905515.db2.gz FRRNUVVOXSBMEU-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM COc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216907075 1051906232 /nfs/dbraw/zinc/90/62/32/1051906232.db2.gz BQRPJJZUVWHEIQ-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2cccc3ccccc32)no1 ZINC001217086013 1051950579 /nfs/dbraw/zinc/95/05/79/1051950579.db2.gz YYZZPHPVLJNESP-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM c1cc2cc(-c3noc(-c4nc5ccccc5[n-]4)n3)ccc2s1 ZINC001217137397 1051975202 /nfs/dbraw/zinc/97/52/02/1051975202.db2.gz XRABBKIYLSBLNQ-UHFFFAOYSA-N -1 3 318.361 4.495 20 0 DIADHM Cc1ccc(F)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001174114435 1051988402 /nfs/dbraw/zinc/98/84/02/1051988402.db2.gz SJZOCYBNJDQOCY-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC(C)(C)NC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174127127 1052006007 /nfs/dbraw/zinc/00/60/07/1052006007.db2.gz XSQSGPPSNHRLMN-UHFFFAOYSA-N -1 3 318.804 4.318 20 0 DIADHM Cc1cccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c1C ZINC001217322591 1052024373 /nfs/dbraw/zinc/02/43/73/1052024373.db2.gz CSHKFXBVEBJTNS-UHFFFAOYSA-N -1 3 308.316 4.036 20 0 DIADHM CCN(CC)C(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174167344 1052029916 /nfs/dbraw/zinc/02/99/16/1052029916.db2.gz IHTUDINWVKWPCA-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM O=C(c1cccc(Nc2cccc(Cl)c2[O-])c1)N1CCCC1 ZINC001174170930 1052032311 /nfs/dbraw/zinc/03/23/11/1052032311.db2.gz FSNXVTDOGMCHAM-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM O=C(c1cccc(Nc2cccc([O-])c2Cl)c1)N1CCCC1 ZINC001174171321 1052032141 /nfs/dbraw/zinc/03/21/41/1052032141.db2.gz OIRMEIMFQRKWCR-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM Cc1ccc(-c2noc(-c3cc4cc(O)ccc4cc3[O-])n2)cc1 ZINC001217418936 1052051195 /nfs/dbraw/zinc/05/11/95/1052051195.db2.gz NZUGTRBNJJSVDG-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM COc1ccc(-c2noc(-c3ccc([O-])c4ccccc34)n2)cc1 ZINC001217437030 1052055104 /nfs/dbraw/zinc/05/51/04/1052055104.db2.gz VPDDUYOMFMHSTF-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1cccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1F ZINC001217441165 1052056528 /nfs/dbraw/zinc/05/65/28/1052056528.db2.gz HVFITZXLNKZSKE-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(F)cc1-c1noc(-c2c([O-])cnc3ccccc32)n1 ZINC001217440824 1052057634 /nfs/dbraw/zinc/05/76/34/1052057634.db2.gz ABJTWXDCAMWSDL-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)cc1C ZINC001217493723 1052074338 /nfs/dbraw/zinc/07/43/38/1052074338.db2.gz XUDOMWVSGRTUJS-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM NC(=O)c1ccc(Nc2cccc(Oc3ccccc3)c2)cc1[O-] ZINC001174315294 1052095639 /nfs/dbraw/zinc/09/56/39/1052095639.db2.gz NDRHODZPQVHEKF-UHFFFAOYSA-N -1 3 320.348 4.027 20 0 DIADHM CC(C)n1cnc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001174381944 1052140179 /nfs/dbraw/zinc/14/01/79/1052140179.db2.gz XOMABHPTJQKAEE-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM Cc1cccc(NCc2cccc([O-])c2Br)c1F ZINC000315648282 1052347035 /nfs/dbraw/zinc/34/70/35/1052347035.db2.gz WQALUWPYMNYJPM-UHFFFAOYSA-N -1 3 310.166 4.214 20 0 DIADHM CCCC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000315807452 1052354390 /nfs/dbraw/zinc/35/43/90/1052354390.db2.gz IBMCMHBJMACSMN-UHFFFAOYSA-N -1 3 312.251 4.167 20 0 DIADHM CC(C)C1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000315858850 1052355473 /nfs/dbraw/zinc/35/54/73/1052355473.db2.gz MATMTMPVERZBFZ-UHFFFAOYSA-N -1 3 312.251 4.023 20 0 DIADHM [O-]c1cccc(CN2CCCc3ccccc32)c1Br ZINC000315980333 1052357871 /nfs/dbraw/zinc/35/78/71/1052357871.db2.gz YDGHRBQYBHDAME-UHFFFAOYSA-N -1 3 318.214 4.108 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(cccc2F)s1 ZINC000762319223 1052367016 /nfs/dbraw/zinc/36/70/16/1052367016.db2.gz SKAVKGWIXGLGMB-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM O=C([O-])C1(c2ccc(-c3cccc(C4=NCCC4)c3)cc2)CC1 ZINC001222698238 1052527986 /nfs/dbraw/zinc/52/79/86/1052527986.db2.gz UIAQDFJLASNVOC-UHFFFAOYSA-N -1 3 305.377 4.053 20 0 DIADHM CC[C@H](SCc1nc(C)cc(=O)[n-]1)c1ccc(F)cc1F ZINC000763207530 1052540468 /nfs/dbraw/zinc/54/04/68/1052540468.db2.gz AXWRLPZXVIBJOB-ZDUSSCGKSA-N -1 3 310.369 4.153 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000763212287 1052543127 /nfs/dbraw/zinc/54/31/27/1052543127.db2.gz JSRRCCYJXNTWLD-SECBINFHSA-N -1 3 312.797 4.278 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2)co1 ZINC000917083882 1052694507 /nfs/dbraw/zinc/69/45/07/1052694507.db2.gz JBWOOQBLWPZCJS-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc([O-])c1F ZINC000128223888 1052712658 /nfs/dbraw/zinc/71/26/58/1052712658.db2.gz SIYVZFWDHJGVEK-GFCCVEGCSA-N -1 3 317.360 4.062 20 0 DIADHM O=C(Cc1c(Cl)cccc1Cl)Nc1cccc([O-])c1F ZINC000128321345 1052715634 /nfs/dbraw/zinc/71/56/34/1052715634.db2.gz GNGVYYZKFBKVSK-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CC[C@H](Oc1ccc2c([O-])coc2c1)c1cccc(F)c1C ZINC001225341818 1052776152 /nfs/dbraw/zinc/77/61/52/1052776152.db2.gz DLZGIEFAOFOLBF-KRWDZBQOSA-N -1 3 300.329 4.239 20 0 DIADHM [O-]c1coc2cc(OC3c4ccccc4-c4ccccc43)ccc12 ZINC001225342783 1052777111 /nfs/dbraw/zinc/77/71/11/1052777111.db2.gz LNERPOVWNMDHIV-UHFFFAOYSA-N -1 3 314.340 4.411 20 0 DIADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1c(Cl)cncc1Cl ZINC001225342531 1052777145 /nfs/dbraw/zinc/77/71/45/1052777145.db2.gz KKNOXJUEZRBDHD-QMMMGPOBSA-N -1 3 324.163 4.104 20 0 DIADHM CC(C)(CCC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129202121 1052780698 /nfs/dbraw/zinc/78/06/98/1052780698.db2.gz BUHUHRHJNFWFAD-UHFFFAOYSA-N -1 3 301.361 4.228 20 0 DIADHM C[C@H](CSCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129618392 1052798924 /nfs/dbraw/zinc/79/89/24/1052798924.db2.gz OUEUVHOKIQEWKW-GFCCVEGCSA-N -1 3 319.401 4.039 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1cccc([O-])c1F ZINC000129760842 1052810880 /nfs/dbraw/zinc/81/08/80/1052810880.db2.gz XRSLYULYABMAJI-UHFFFAOYSA-N -1 3 320.389 4.206 20 0 DIADHM C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1cccc(F)c1 ZINC001225852813 1052839266 /nfs/dbraw/zinc/83/92/66/1052839266.db2.gz LGPRISRAEVXLNW-ZETCQYMHSA-N -1 3 318.295 4.063 20 0 DIADHM COCc1cc(O[C@H](C)c2cc(Cl)ccc2C)[n-]c(=S)n1 ZINC001225936243 1052850377 /nfs/dbraw/zinc/85/03/77/1052850377.db2.gz XWFFSNQHKYUBBQ-SNVBAGLBSA-N -1 3 324.833 4.014 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(Cl)c1 ZINC001226120112 1052870911 /nfs/dbraw/zinc/87/09/11/1052870911.db2.gz QGPLSXMTUQVIBA-SECBINFHSA-N -1 3 306.818 4.436 20 0 DIADHM CCCc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])sc1C ZINC000556892040 1052895393 /nfs/dbraw/zinc/89/53/93/1052895393.db2.gz GYLCIZFNZMXBGD-UHFFFAOYSA-N -1 3 317.410 4.170 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3ccc(Cl)cc32)c1O ZINC001226482499 1052900851 /nfs/dbraw/zinc/90/08/51/1052900851.db2.gz OSZMNDIWGRDYAR-OAHLLOKOSA-N -1 3 318.756 4.020 20 0 DIADHM C/C=C/[C@H](Oc1c([O-])ccc(C(C)=O)c1O)C1CCCCC1 ZINC001226481073 1052900861 /nfs/dbraw/zinc/90/08/61/1052900861.db2.gz BYLDMEQTLOOXBL-SEJWUHKESA-N -1 3 304.386 4.204 20 0 DIADHM CCC[C@H](Oc1c([O-])ccc(C(C)=O)c1O)C1CCCCC1 ZINC001226483260 1052900991 /nfs/dbraw/zinc/90/09/91/1052900991.db2.gz TTXQTBQELYUOQI-INIZCTEOSA-N -1 3 306.402 4.428 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3cc(Cl)ccc32)c1O ZINC001226481017 1052901007 /nfs/dbraw/zinc/90/10/07/1052901007.db2.gz ARFDBOWWJCNSPS-OAHLLOKOSA-N -1 3 318.756 4.020 20 0 DIADHM CCC[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)c1ccccc1 ZINC001226483254 1052901121 /nfs/dbraw/zinc/90/11/21/1052901121.db2.gz STOCZVOUOPWGCA-MRXNPFEDSA-N -1 3 300.354 4.221 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3cc(Cl)ccc32)c1O ZINC001226481016 1052901288 /nfs/dbraw/zinc/90/12/88/1052901288.db2.gz ARFDBOWWJCNSPS-HNNXBMFYSA-N -1 3 318.756 4.020 20 0 DIADHM Cc1cccc2c1[C@@H](Oc1cc3c(C)cc(=O)oc3cc1[O-])CC2 ZINC001226533683 1052908136 /nfs/dbraw/zinc/90/81/36/1052908136.db2.gz GZHACCBDNRFCLK-INIZCTEOSA-N -1 3 322.360 4.182 20 0 DIADHM CCC[C@@H]1CCCC[C@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598642 1052913904 /nfs/dbraw/zinc/91/39/04/1052913904.db2.gz FSZDFXRPHUZQFW-IUODEOHRSA-N -1 3 302.370 4.236 20 0 DIADHM COc1ccc(OC)c([C@H](C)Oc2cccc([O-])c2Cl)c1 ZINC001226709563 1052923589 /nfs/dbraw/zinc/92/35/89/1052923589.db2.gz OQMUMZJLFYAGAN-JTQLQIEISA-N -1 3 308.761 4.203 20 0 DIADHM O=C(c1ccco1)[C@H](Oc1cccc([O-])c1Cl)c1ccco1 ZINC001226708607 1052923628 /nfs/dbraw/zinc/92/36/28/1052923628.db2.gz HIUXFUUUMXRABY-MRXNPFEDSA-N -1 3 318.712 4.235 20 0 DIADHM S=c1nccc(O[C@H]2CCc3cc(Cl)c(Cl)cc32)[n-]1 ZINC001226940457 1052946769 /nfs/dbraw/zinc/94/67/69/1052946769.db2.gz RZINOGIBNDLNIM-NSHDSACASA-N -1 3 313.209 4.138 20 0 DIADHM CCc1cnc(=S)[n-]c1O[C@@H](C)c1csc(Cl)c1 ZINC001227062673 1052957888 /nfs/dbraw/zinc/95/78/88/1052957888.db2.gz YNVAQQMLEJYCBS-ZETCQYMHSA-N -1 3 300.836 4.183 20 0 DIADHM C[C@@H]1CCC[C@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227586984 1053002509 /nfs/dbraw/zinc/00/25/09/1053002509.db2.gz DNWMMLSQBDSCKS-SCZZXKLOSA-N -1 3 303.171 4.251 20 0 DIADHM C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1ccccc1F ZINC001227585492 1053002611 /nfs/dbraw/zinc/00/26/11/1053002611.db2.gz CRSVVDDUFQNUTR-QMMMGPOBSA-N -1 3 301.239 4.085 20 0 DIADHM C[C@H]1CC[C@H](Oc2c([O-])cc(Br)cc2F)CC1 ZINC001227588717 1053003273 /nfs/dbraw/zinc/00/32/73/1053003273.db2.gz URTCIJZVXYJWBF-CZMCAQCFSA-N -1 3 303.171 4.251 20 0 DIADHM [O-]c1cc(Cl)cnc1O[C@H](c1ccccc1)C(F)(F)F ZINC001227979307 1053032995 /nfs/dbraw/zinc/03/29/95/1053032995.db2.gz BPXRPGHLJGTSJO-LLVKDONJSA-N -1 3 303.667 4.123 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)CC(C)(C)OC ZINC001228135824 1053046454 /nfs/dbraw/zinc/04/64/54/1053046454.db2.gz JDGWXXPTURRSNQ-GFCCVEGCSA-N -1 3 308.418 4.130 20 0 DIADHM CC(C)Sc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC001521223662 1053074761 /nfs/dbraw/zinc/07/47/61/1053074761.db2.gz LADWPDGTYSKTFF-VIFPVBQESA-N -1 3 323.355 4.265 20 0 DIADHM Cn1cccc1[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000180638474 1053075441 /nfs/dbraw/zinc/07/54/41/1053075441.db2.gz PAPRGCUTUUHXEP-INIZCTEOSA-N -1 3 304.821 4.111 20 0 DIADHM C[C@@H](Oc1cc(-c2ccccc2)nc(=S)[n-]1)c1nccs1 ZINC001228346244 1053079821 /nfs/dbraw/zinc/07/98/21/1053079821.db2.gz BOQLXPSGTHOAHV-SNVBAGLBSA-N -1 3 315.423 4.029 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000617276106 1053118613 /nfs/dbraw/zinc/11/86/13/1053118613.db2.gz WLSBUIJANFMTMC-UHFFFAOYSA-N -1 3 308.403 4.134 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228623238 1053148299 /nfs/dbraw/zinc/14/82/99/1053148299.db2.gz QEXAIYOFERSBGW-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCC(C)(C)C1 ZINC001228623336 1053148445 /nfs/dbraw/zinc/14/84/45/1053148445.db2.gz RLRZPXPKZMDVNN-GFCCVEGCSA-N -1 3 302.370 4.155 20 0 DIADHM CC[C@@H]1CCCC[C@H]1Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628031 1053150183 /nfs/dbraw/zinc/15/01/83/1053150183.db2.gz HTLHJPOQXFJCCC-IUODEOHRSA-N -1 3 302.370 4.155 20 0 DIADHM CC[C@@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccccc1F ZINC001228854750 1053194243 /nfs/dbraw/zinc/19/42/43/1053194243.db2.gz VTCSVEKUBGYJEP-QGZVFWFLSA-N -1 3 300.329 4.190 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3Cc4cccc5cccc3c45)cc21 ZINC001228859702 1053194706 /nfs/dbraw/zinc/19/47/06/1053194706.db2.gz ZGUBCLMZIKJGIR-LJQANCHMSA-N -1 3 316.356 4.351 20 0 DIADHM COC1CCC(Oc2cc([O-])c(C(C)C)cc2C(C)=O)CC1 ZINC001228958182 1053212682 /nfs/dbraw/zinc/21/26/82/1053212682.db2.gz JJNGLIFSKAHVQM-UHFFFAOYSA-N -1 3 306.402 4.055 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1OC1Cc2ccccc2C1 ZINC001228957197 1053212707 /nfs/dbraw/zinc/21/27/07/1053212707.db2.gz CYZCTEXXMUHZQH-UHFFFAOYSA-N -1 3 310.393 4.264 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001228960019 1053213025 /nfs/dbraw/zinc/21/30/25/1053213025.db2.gz SLTWNFFLQYBGTG-CYBMUJFWSA-N -1 3 320.282 4.140 20 0 DIADHM C[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1 ZINC001229101435 1053247792 /nfs/dbraw/zinc/24/77/92/1053247792.db2.gz XWPDQAVAUDFWPM-VIFPVBQESA-N -1 3 309.159 4.000 20 0 DIADHM O=c1cc(-c2ccccc2)c2cc(O[C@H]3C=CCC3)c([O-])cc2o1 ZINC001229266345 1053287743 /nfs/dbraw/zinc/28/77/43/1053287743.db2.gz BFFHTQFZZNBBCB-AWEZNQCLSA-N -1 3 320.344 4.263 20 0 DIADHM Cc1csc2[n-]c(=S)nc(OC3CCC(F)(F)CC3)c12 ZINC001229354535 1053305280 /nfs/dbraw/zinc/30/52/80/1053305280.db2.gz YIYDYKGCUNIXMN-UHFFFAOYSA-N -1 3 316.398 4.245 20 0 DIADHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H](C)C(F)(F)F)c2)cc1 ZINC001229543216 1053350032 /nfs/dbraw/zinc/35/00/32/1053350032.db2.gz WYXLBISDJSIYEW-LLVKDONJSA-N -1 3 324.298 4.261 20 0 DIADHM Fc1ccc2c(c1)CC[C@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229567593 1053355100 /nfs/dbraw/zinc/35/51/00/1053355100.db2.gz DHELHENTDYLHBE-GFCCVEGCSA-N -1 3 318.398 4.185 20 0 DIADHM S=c1nc(O[C@@H]2CCc3ccccc32)c2ccsc2[n-]1 ZINC001229566497 1053356470 /nfs/dbraw/zinc/35/64/70/1053356470.db2.gz RAIFJQQFYATZON-GFCCVEGCSA-N -1 3 300.408 4.046 20 0 DIADHM [O-]c1cc(NC(=S)Nc2cccc3ccccc32)ccc1F ZINC001200103029 1053383061 /nfs/dbraw/zinc/38/30/61/1053383061.db2.gz XIEYTCRHTYJDBP-UHFFFAOYSA-N -1 3 312.369 4.493 20 0 DIADHM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1c(F)cccc1F ZINC001352837663 1053415860 /nfs/dbraw/zinc/41/58/60/1053415860.db2.gz KVXULYUMDMKNCS-UHFFFAOYSA-N -1 3 305.202 4.137 20 0 DIADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC001229959240 1053440276 /nfs/dbraw/zinc/44/02/76/1053440276.db2.gz ZQPARIIAPJITKW-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC001229959240 1053440284 /nfs/dbraw/zinc/44/02/84/1053440284.db2.gz ZQPARIIAPJITKW-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(OC2CC=CC2)c1 ZINC001230452020 1053539423 /nfs/dbraw/zinc/53/94/23/1053539423.db2.gz CHUZIKXXJCVFSK-UHFFFAOYSA-N -1 3 314.768 4.374 20 0 DIADHM O=C(c1ccc(Cl)cc1)c1ccc([O-])c(OC2CCC2)c1 ZINC001230454532 1053542189 /nfs/dbraw/zinc/54/21/89/1053542189.db2.gz WIWUHUDFSBYQGR-UHFFFAOYSA-N -1 3 302.757 4.208 20 0 DIADHM Cc1ccc(NC(=S)Nc2c([O-])cccc2F)c(Cl)c1 ZINC001200339616 1053574692 /nfs/dbraw/zinc/57/46/92/1053574692.db2.gz XLJMMYAITFNUJW-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1cccs1 ZINC001230887368 1053619039 /nfs/dbraw/zinc/61/90/39/1053619039.db2.gz YYQWZZBWCNQJKS-QMMMGPOBSA-N -1 3 306.774 4.190 20 0 DIADHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000620636061 1053691718 /nfs/dbraw/zinc/69/17/18/1053691718.db2.gz KNBKWJIJRNDANA-ZWNOBZJWSA-N -1 3 319.788 4.333 20 0 DIADHM CC(C)(C)N1CC(Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231218660 1053704086 /nfs/dbraw/zinc/70/40/86/1053704086.db2.gz LPAVDJHPRONIIZ-UHFFFAOYSA-N -1 3 313.397 4.046 20 0 DIADHM Cc1conc1[N-]C(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001325254279 1053709303 /nfs/dbraw/zinc/70/93/03/1053709303.db2.gz GOJAAYQUYXOCPJ-UHFFFAOYSA-N -1 3 311.341 4.014 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H](Oc3ccccc3)C2)ccc1Cl ZINC001231733887 1053841714 /nfs/dbraw/zinc/84/17/14/1053841714.db2.gz KVPJTAHAAHHTHH-MRXNPFEDSA-N -1 3 317.816 4.089 20 0 DIADHM COc1ccc([C@@H]2CCCN2Cc2ccc(Cl)c([O-])c2)cc1 ZINC001231737074 1053844199 /nfs/dbraw/zinc/84/41/99/1053844199.db2.gz KWNMVEQLKMAFEX-KRWDZBQOSA-N -1 3 317.816 4.391 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2cc(F)cc(F)c2)cc1Cl ZINC001200670489 1053871570 /nfs/dbraw/zinc/87/15/70/1053871570.db2.gz WYWCZSBCSJYTAV-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM O=C([O-])CC[C@@H]1CCCN(Cc2c(Cl)oc3ccccc32)C1 ZINC000621774370 1054015759 /nfs/dbraw/zinc/01/57/59/1054015759.db2.gz RQHFTXNGFGPRAN-LBPRGKRZSA-N -1 3 321.804 4.163 20 0 DIADHM Cc1nocc1[N-]C(=O)c1c(Cl)ccc(Cl)c1Cl ZINC001437254796 1054023487 /nfs/dbraw/zinc/02/34/87/1054023487.db2.gz XGCATJPZUDRJAW-UHFFFAOYSA-N -1 3 305.548 4.196 20 0 DIADHM Cc1ccc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)cn1 ZINC001232788758 1054121489 /nfs/dbraw/zinc/12/14/89/1054121489.db2.gz MNTLUXHZSKDIRU-HNNXBMFYSA-N -1 3 302.805 4.086 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000622278751 1054144249 /nfs/dbraw/zinc/14/42/49/1054144249.db2.gz KUZKALMNHFKEHH-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622287146 1054147256 /nfs/dbraw/zinc/14/72/56/1054147256.db2.gz ZOLCOOMKPNJKCQ-NSHDSACASA-N -1 3 323.314 4.244 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1ccc(F)c([O-])c1F ZINC001232933558 1054150144 /nfs/dbraw/zinc/15/01/44/1054150144.db2.gz LCABXTIMMDWIJJ-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM Cc1cccc(CN(Cc2ccc(F)c([O-])c2F)C2CC2)c1C ZINC001232940357 1054152111 /nfs/dbraw/zinc/15/21/11/1054152111.db2.gz OPXMSPJDWJOEJX-UHFFFAOYSA-N -1 3 317.379 4.452 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@H]2Cc2ccc(F)cc2)c1F ZINC001232938522 1054152318 /nfs/dbraw/zinc/15/23/18/1054152318.db2.gz FGRJLCFSEIEJJG-HNNXBMFYSA-N -1 3 321.342 4.017 20 0 DIADHM [O-]c1c(F)ccc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1F ZINC001232938007 1054154168 /nfs/dbraw/zinc/15/41/68/1054154168.db2.gz XTFUTQWNZNHJBZ-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000622298452 1054157690 /nfs/dbraw/zinc/15/76/90/1054157690.db2.gz JIAWJOWWYAMIER-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1[O-] ZINC000622298453 1054158207 /nfs/dbraw/zinc/15/82/07/1054158207.db2.gz JIAWJOWWYAMIER-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM [O-]c1cc(CN2CC[C@@H](c3ccccc3Cl)C2)cc(F)c1F ZINC001232973126 1054162246 /nfs/dbraw/zinc/16/22/46/1054162246.db2.gz NWZQECLVXKSTQW-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1cc(CN(Cc2ccccc2)C2CCC2)cc(F)c1F ZINC001232973566 1054162514 /nfs/dbraw/zinc/16/25/14/1054162514.db2.gz FJKNCYMIYGOWMN-UHFFFAOYSA-N -1 3 303.352 4.225 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972333 1054163011 /nfs/dbraw/zinc/16/30/11/1054163011.db2.gz NAUHMYVXSPANFU-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cc(CN2CCCC[C@H]2c2ccccc2)cc(F)c1F ZINC001232970046 1054163080 /nfs/dbraw/zinc/16/30/80/1054163080.db2.gz GWZUSUZGKXZGEI-INIZCTEOSA-N -1 3 303.352 4.398 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)c1 ZINC001232968273 1054164021 /nfs/dbraw/zinc/16/40/21/1054164021.db2.gz GNPFHUMIYHKXRU-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2C2CCCCC2)c1[O-] ZINC000622316942 1054168788 /nfs/dbraw/zinc/16/87/88/1054168788.db2.gz HHWAUCYQGRKCAM-KRWDZBQOSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC000622317240 1054169669 /nfs/dbraw/zinc/16/96/69/1054169669.db2.gz RQGMUYQUAMMXKX-KRWDZBQOSA-N -1 3 301.430 4.140 20 0 DIADHM CN(Cc1cccc2ccccc21)Cc1cc(Cl)ncc1[O-] ZINC001233036542 1054173129 /nfs/dbraw/zinc/17/31/29/1054173129.db2.gz RRUDMOOANDMYGV-UHFFFAOYSA-N -1 3 312.800 4.226 20 0 DIADHM CN(Cc1cc(Cl)cc(Cl)c1)Cc1cccc([O-])c1F ZINC001233055015 1054177207 /nfs/dbraw/zinc/17/72/07/1054177207.db2.gz JIPQASUKVJCBQJ-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cccc([O-])c1F ZINC001233054358 1054177255 /nfs/dbraw/zinc/17/72/55/1054177255.db2.gz JWLVYJRPCBBDCU-MRXNPFEDSA-N -1 3 315.388 4.015 20 0 DIADHM CCOc1ccc([C@H]2CCCN2Cc2cccc([O-])c2F)cc1 ZINC001233053285 1054178258 /nfs/dbraw/zinc/17/82/58/1054178258.db2.gz NJTIPUMLVRLXQC-QGZVFWFLSA-N -1 3 315.388 4.267 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC000622368154 1054191800 /nfs/dbraw/zinc/19/18/00/1054191800.db2.gz KRWJUKZDOARUDK-IBGZPJMESA-N -1 3 311.425 4.424 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1[O-] ZINC000622368504 1054194781 /nfs/dbraw/zinc/19/47/81/1054194781.db2.gz ZKIAXYWSKOHGBQ-SFHVURJKSA-N -1 3 311.425 4.424 20 0 DIADHM CCc1cccc(C(=O)Nc2ccccc2OC(C)(C)C)c1[O-] ZINC000622375432 1054201395 /nfs/dbraw/zinc/20/13/95/1054201395.db2.gz AVLHWZSOKADIOI-UHFFFAOYSA-N -1 3 313.397 4.384 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2NC2CC2)c1 ZINC000622406373 1054205217 /nfs/dbraw/zinc/20/52/17/1054205217.db2.gz RVDDVNMCLFVSRB-UHFFFAOYSA-N -1 3 316.788 4.181 20 0 DIADHM CC[C@@]1(C)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622431922 1054223959 /nfs/dbraw/zinc/22/39/59/1054223959.db2.gz ORQPOKAWVYKWSR-NRFANRHFSA-N -1 3 323.436 4.245 20 0 DIADHM COc1ccc(CN(C)C/C=C/c2ccccc2)c(Cl)c1[O-] ZINC001233400948 1054258972 /nfs/dbraw/zinc/25/89/72/1054258972.db2.gz GAHQDZYKCNIOIM-RMKNXTFCSA-N -1 3 317.816 4.199 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(c3ccc(F)cc3)CC2)c1F ZINC001233395774 1054259051 /nfs/dbraw/zinc/25/90/51/1054259051.db2.gz OPSHLKQNUGUIGR-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CN(Cc1c(F)ccc([O-])c1F)C(C)(C)Cc1ccccc1 ZINC001233396647 1054260457 /nfs/dbraw/zinc/26/04/57/1054260457.db2.gz OBQIQHWCAFEBAE-UHFFFAOYSA-N -1 3 305.368 4.124 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H](c3ccccc3)CC2)c1F ZINC001233396060 1054261525 /nfs/dbraw/zinc/26/15/25/1054261525.db2.gz HQNNSNAGMMPRDL-HNNXBMFYSA-N -1 3 317.379 4.440 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)c3c2cccc3Cl)c([O-])c1 ZINC001337245304 1054262535 /nfs/dbraw/zinc/26/25/35/1054262535.db2.gz RUGCPYYQFSKJCF-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM COc1ccc(CN2Cc3ccccc3C[C@H]2C)c(Cl)c1[O-] ZINC001233401326 1054264646 /nfs/dbraw/zinc/26/46/46/1054264646.db2.gz VQNXWIGKGUBTTR-GFCCVEGCSA-N -1 3 317.816 4.001 20 0 DIADHM CCCC1CCC(N(C)C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000622554282 1054288003 /nfs/dbraw/zinc/28/80/03/1054288003.db2.gz SPRBCCBDWPSVDW-UHFFFAOYSA-N -1 3 309.837 4.477 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)c1cnc2ccccn21 ZINC001233591944 1054302131 /nfs/dbraw/zinc/30/21/31/1054302131.db2.gz ILGBUYABHQLTGB-LLVKDONJSA-N -1 3 302.761 4.142 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H](c1cccnc1)C(F)(F)F ZINC001233593151 1054305640 /nfs/dbraw/zinc/30/56/40/1054305640.db2.gz UUEBMIONZREVQN-CYBMUJFWSA-N -1 3 317.694 4.431 20 0 DIADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1ccc(C(F)(F)F)cc1 ZINC001233678165 1054330633 /nfs/dbraw/zinc/33/06/33/1054330633.db2.gz TYBYIJMOQIWPSO-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1cc(-c2ccccc2)no1 ZINC001233681074 1054332121 /nfs/dbraw/zinc/33/21/21/1054332121.db2.gz QROOEXAQKQMDOF-LBPRGKRZSA-N -1 3 321.332 4.057 20 0 DIADHM CC(C)c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000622677057 1054336732 /nfs/dbraw/zinc/33/67/32/1054336732.db2.gz LKVULXKUZQANLA-UHFFFAOYSA-N -1 3 309.409 4.320 20 0 DIADHM Cc1cccc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000185086195 1054352670 /nfs/dbraw/zinc/35/26/70/1054352670.db2.gz GLSSOZHYDRJKRG-JTQLQIEISA-N -1 3 311.212 4.253 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001440823274 1054368749 /nfs/dbraw/zinc/36/87/49/1054368749.db2.gz XBRLOXSIZNBKMK-SFHVURJKSA-N -1 3 323.436 4.363 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCc3ccc(Br)cc32)c1F ZINC001233870846 1054378379 /nfs/dbraw/zinc/37/83/79/1054378379.db2.gz JCYNOFUOZGDREF-CYBMUJFWSA-N -1 3 323.161 4.360 20 0 DIADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001441189952 1054386272 /nfs/dbraw/zinc/38/62/72/1054386272.db2.gz JUGGUPHJUXCYIB-FZMZJTMJSA-N -1 3 303.427 4.306 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC001442029581 1054407127 /nfs/dbraw/zinc/40/71/27/1054407127.db2.gz DIDYYWLLCHJTML-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001442180624 1054411600 /nfs/dbraw/zinc/41/16/00/1054411600.db2.gz KJGFSGFVYSBCSS-GOSISDBHSA-N -1 3 309.409 4.241 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC001443064774 1054439350 /nfs/dbraw/zinc/43/93/50/1054439350.db2.gz OKMUIRAMGWALCO-QGZVFWFLSA-N -1 3 309.409 4.111 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(SC(F)F)c1 ZINC001443164503 1054442761 /nfs/dbraw/zinc/44/27/61/1054442761.db2.gz NCDBHMRVCRQLJD-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC001443375936 1054446331 /nfs/dbraw/zinc/44/63/31/1054446331.db2.gz YARNTENTKRTXGI-HNNXBMFYSA-N -1 3 323.436 4.396 20 0 DIADHM CCc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c([O-])c1 ZINC001443908388 1054462755 /nfs/dbraw/zinc/46/27/55/1054462755.db2.gz FYCSYNDJYKLSAX-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1F ZINC001234263306 1054479316 /nfs/dbraw/zinc/47/93/16/1054479316.db2.gz WYWNDZJXBZNXDB-BETUJISGSA-N -1 3 322.763 4.311 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@@H]2CCCN(c3ccccc3)C2)c1F ZINC001234266155 1054479831 /nfs/dbraw/zinc/47/98/31/1054479831.db2.gz ZEJCFPFBIXTMNT-CYBMUJFWSA-N -1 3 321.779 4.233 20 0 DIADHM Cc1ccccc1OC[C@@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263302 1054480127 /nfs/dbraw/zinc/48/01/27/1054480127.db2.gz WUOWYPWFFRGOPN-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM CC(C)[C@H](C)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000623017355 1054512878 /nfs/dbraw/zinc/51/28/78/1054512878.db2.gz MUOZFVHWBJQXHE-JTQLQIEISA-N -1 3 315.335 4.060 20 0 DIADHM C[C@H](COCc1ccccc1)Oc1c([O-])cc(Cl)cc1F ZINC001234446315 1054524344 /nfs/dbraw/zinc/52/43/44/1054524344.db2.gz CUTHLYYXIOHHNT-LLVKDONJSA-N -1 3 310.752 4.169 20 0 DIADHM O=C1CC[C@@H](Oc2c([O-])cc(Cl)cc2F)c2ccccc21 ZINC001234448531 1054525886 /nfs/dbraw/zinc/52/58/86/1054525886.db2.gz UECPNYQWNLABSS-OAHLLOKOSA-N -1 3 306.720 4.281 20 0 DIADHM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC001446243007 1054532035 /nfs/dbraw/zinc/53/20/35/1054532035.db2.gz VKINAHJUYZSHPY-AJDAEKEXSA-N -1 3 305.393 4.488 20 0 DIADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446527716 1054538474 /nfs/dbraw/zinc/53/84/74/1054538474.db2.gz RMMXRDJJWQYNJE-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cnccc2-c2ccccc2)c1 ZINC001447661950 1054570150 /nfs/dbraw/zinc/57/01/50/1054570150.db2.gz QMSODFGJJDOKFP-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM O=c1[n-]cnc(O[C@@H](c2ccccc2)C2CC2)c1-c1ccccc1 ZINC001234690168 1054577898 /nfs/dbraw/zinc/57/78/98/1054577898.db2.gz ZLSNQBJZZZKFAZ-SFHVURJKSA-N -1 3 318.376 4.379 20 0 DIADHM Cc1ccc2c(c1)[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)CC2 ZINC001234688876 1054578312 /nfs/dbraw/zinc/57/83/12/1054578312.db2.gz LNLISEKQPQQGTH-KRWDZBQOSA-N -1 3 318.376 4.224 20 0 DIADHM O=c1[n-]cnc(O[C@H]2CCc3cc(F)ccc32)c1-c1ccccc1 ZINC001234692223 1054578854 /nfs/dbraw/zinc/57/88/54/1054578854.db2.gz MQRLBSVFKNSNDB-INIZCTEOSA-N -1 3 322.339 4.055 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c1 ZINC001448066146 1054586068 /nfs/dbraw/zinc/58/60/68/1054586068.db2.gz HRKNAWZWGWOVHM-OAHLLOKOSA-N -1 3 315.457 4.387 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)CCC=C(C)C)c1C(C)=O ZINC001234790458 1054589945 /nfs/dbraw/zinc/58/99/45/1054589945.db2.gz HOVNHOLOBVGXDC-GFCCVEGCSA-N -1 3 306.402 4.426 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2ccccc2F)c1C(C)=O ZINC001234791714 1054590933 /nfs/dbraw/zinc/59/09/33/1054590933.db2.gz QTRAABAWGQEGMB-GFCCVEGCSA-N -1 3 318.344 4.191 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2ccc(F)cc2)c1C(C)=O ZINC001234792168 1054592728 /nfs/dbraw/zinc/59/27/28/1054592728.db2.gz XMKDVDLMBMWHLV-GFCCVEGCSA-N -1 3 318.344 4.191 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2coc3ccc(C(C)C)cc23)n1 ZINC001448619920 1054600827 /nfs/dbraw/zinc/60/08/27/1054600827.db2.gz MVKYGPXTQMNKOQ-UHFFFAOYSA-N -1 3 310.353 4.218 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cccc(-c2ccccc2)c1 ZINC001449099796 1054612907 /nfs/dbraw/zinc/61/29/07/1054612907.db2.gz NBQSLFLYIBAYKL-UHFFFAOYSA-N -1 3 321.351 4.380 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001450362041 1054646505 /nfs/dbraw/zinc/64/65/05/1054646505.db2.gz CWGGUKHRTXSULU-ZBKGVPMPSA-N -1 3 307.478 4.467 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)c1 ZINC001451115137 1054667287 /nfs/dbraw/zinc/66/72/87/1054667287.db2.gz GKTKYMVJWQDYTP-GOSISDBHSA-N -1 3 315.457 4.386 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c1 ZINC001451737173 1054685678 /nfs/dbraw/zinc/68/56/78/1054685678.db2.gz HCHJXMHQVCQBFB-LSDHHAIUSA-N -1 3 321.486 4.401 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C2CCC2)C2CCCC2)c1 ZINC001452179306 1054697909 /nfs/dbraw/zinc/69/79/09/1054697909.db2.gz VUZIMKUGDLSAPY-KRWDZBQOSA-N -1 3 319.470 4.203 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299248594 1054707891 /nfs/dbraw/zinc/70/78/91/1054707891.db2.gz KGMKHKAGNNRZSA-CVEARBPZSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1ccc2oc([N-]c3cnn(Cc4ccccc4)c3)nc2c1 ZINC000513618871 1054746420 /nfs/dbraw/zinc/74/64/20/1054746420.db2.gz IXLULMAYEGTQSP-UHFFFAOYSA-N -1 3 304.353 4.125 20 0 DIADHM CC(C)C1=NCCc2ccc(-c3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC001235669113 1054767678 /nfs/dbraw/zinc/76/76/78/1054767678.db2.gz BCLCNMHCTRCIQU-BJMVGYQFSA-N -1 3 319.404 4.453 20 0 DIADHM Cc1ccc(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c([O-])c1 ZINC001454592049 1054774593 /nfs/dbraw/zinc/77/45/93/1054774593.db2.gz CTXMYGLCIKFXMS-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM CC(C)Oc1cc(C(F)(F)F)ccc1-c1ccc(=S)[n-]n1 ZINC001235735266 1054791305 /nfs/dbraw/zinc/79/13/05/1054791305.db2.gz VBXVHCUPNORVPW-UHFFFAOYSA-N -1 3 314.332 4.238 20 0 DIADHM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]c1cnoc1 ZINC000623941222 1054830690 /nfs/dbraw/zinc/83/06/90/1054830690.db2.gz XECYGLADISKOJS-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM COC(=O)c1ccc2nc(-c3cc([O-])cc(Cl)c3)ccc2c1 ZINC001235899082 1054836387 /nfs/dbraw/zinc/83/63/87/1054836387.db2.gz CSFLAZRNUPBSRO-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM Cc1nc(-c2cccnc2)nc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235899693 1054837877 /nfs/dbraw/zinc/83/78/77/1054837877.db2.gz JIHOJROIIXFQCY-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM CCCSc1ncnc(-c2cc([O-])cc(Cl)c2)c1OC ZINC001235903273 1054840062 /nfs/dbraw/zinc/84/00/62/1054840062.db2.gz FACMYFHTFFNAFZ-UHFFFAOYSA-N -1 3 310.806 4.013 20 0 DIADHM CC[C@H](NCc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186121760 1054928499 /nfs/dbraw/zinc/92/84/99/1054928499.db2.gz XZNAAYXRQLTRBG-JTQLQIEISA-N -1 3 317.241 4.396 20 0 DIADHM C[C@H](CCCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000181726606 1054932981 /nfs/dbraw/zinc/93/29/81/1054932981.db2.gz FNZRLBOPHSDTPZ-CYBMUJFWSA-N -1 3 301.361 4.129 20 0 DIADHM [O-]c1cccc(CNCc2ccc(F)c(Cl)c2)c1Cl ZINC000381436663 1055166994 /nfs/dbraw/zinc/16/69/94/1055166994.db2.gz VRHWFJMQBYNJCM-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM O=c1ccnc(C=Cc2ccc(OCc3ccccc3F)cc2)[n-]1 ZINC000764441746 1055187311 /nfs/dbraw/zinc/18/73/11/1055187311.db2.gz KLSFLZZBSBICHH-JXMROGBWSA-N -1 3 322.339 4.071 20 0 DIADHM O=C(CCC1CCCC1)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000764500417 1055199103 /nfs/dbraw/zinc/19/91/03/1055199103.db2.gz FXVRKUYRJNGDNX-UHFFFAOYSA-N -1 3 318.200 4.018 20 0 DIADHM [O-]c1cc(CN(Cc2ccccc2)Cc2ccncc2)ccc1F ZINC001236703392 1055232440 /nfs/dbraw/zinc/23/24/40/1055232440.db2.gz NPJITBVNIXPHLO-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H]2c2cc(F)ccc2F)ccc1F ZINC001236706374 1055236298 /nfs/dbraw/zinc/23/62/98/1055236298.db2.gz WTNFOFZQDQBEEO-MRXNPFEDSA-N -1 3 307.315 4.147 20 0 DIADHM CN(Cc1ccc(F)c([O-])c1)Cc1cccc(Cl)c1Cl ZINC001236706550 1055238351 /nfs/dbraw/zinc/23/83/51/1055238351.db2.gz ZEWPURHXHYWCIR-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2cc3cccc(Cl)c3o2)n1 ZINC001537168760 1055245922 /nfs/dbraw/zinc/24/59/22/1055245922.db2.gz UEXJCEOYCGIFCI-UHFFFAOYSA-N -1 3 321.789 4.313 20 0 DIADHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001587739213 1055355685 /nfs/dbraw/zinc/35/56/85/1055355685.db2.gz CFRUVSLVPBXQPB-RDJZCZTQSA-N -1 3 321.486 4.310 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c([O-])c1 ZINC000385824059 1055394392 /nfs/dbraw/zinc/39/43/92/1055394392.db2.gz YIWPTGQUFWIDEV-OAHLLOKOSA-N -1 3 309.409 4.142 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccc2occc21 ZINC001127875428 1055407441 /nfs/dbraw/zinc/40/74/41/1055407441.db2.gz UMGGIXGQDMMLCF-UHFFFAOYSA-N -1 3 319.320 4.044 20 0 DIADHM [O-]c1cc(F)cc(CN(Cc2ccccc2)Cc2cccnc2)c1 ZINC001237278671 1055414810 /nfs/dbraw/zinc/41/48/10/1055414810.db2.gz JCQUWETTWPKFIJ-UHFFFAOYSA-N -1 3 322.383 4.129 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)c([O-])c1 ZINC001588168208 1055440814 /nfs/dbraw/zinc/44/08/14/1055440814.db2.gz WFDHWXJCCSYNAG-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM O=C(NCCSc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000471645456 1055456600 /nfs/dbraw/zinc/45/66/00/1055456600.db2.gz QQQMFICPTXDEOF-UHFFFAOYSA-N -1 3 323.417 4.068 20 0 DIADHM C[C@@H]1c2ccsc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471647333 1055457940 /nfs/dbraw/zinc/45/79/40/1055457940.db2.gz GPDHEIKMMOIKNW-GFCCVEGCSA-N -1 3 323.417 4.366 20 0 DIADHM O=C(Nc1ccc2ncccc2c1)c1cc([O-])c2ccccc2c1 ZINC000471750905 1055466014 /nfs/dbraw/zinc/46/60/14/1055466014.db2.gz XMBTXUWTDGHCGF-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM CCOc1cc(/C=C\C(=O)c2cccc(O)c2)cc(Cl)c1[O-] ZINC000213697856 1055506962 /nfs/dbraw/zinc/50/69/62/1055506962.db2.gz ICEIIBIADINOSR-SREVYHEPSA-N -1 3 318.756 4.046 20 0 DIADHM Cc1cc(F)ccc1[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001538144587 1055546689 /nfs/dbraw/zinc/54/66/89/1055546689.db2.gz ADZIEOIAUZOJHZ-JTQLQIEISA-N -1 3 308.736 4.411 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)c([O-])c1 ZINC000021814692 1055550949 /nfs/dbraw/zinc/55/09/49/1055550949.db2.gz XVURRXXRIIAZCP-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM O=C([N-]c1cc(F)c(F)c(F)c1F)c1sccc1Cl ZINC001595718046 1055622981 /nfs/dbraw/zinc/62/29/81/1055622981.db2.gz DHSKJMBOEUZEJH-UHFFFAOYSA-N -1 3 309.671 4.210 20 0 DIADHM CCN(Cc1ccc(F)cc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237998169 1055582364 /nfs/dbraw/zinc/58/23/64/1055582364.db2.gz REEYYWXWSUHHJS-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc3c(C)nccc23)c1[O-] ZINC001595395284 1055593913 /nfs/dbraw/zinc/59/39/13/1055593913.db2.gz WNBOLOREVMYKSW-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM CN(CCCc1ccccc1)Cc1cc(Cl)c([O-])cc1F ZINC001238147924 1055611538 /nfs/dbraw/zinc/61/15/38/1055611538.db2.gz NQKMSQRVDSHDNS-UHFFFAOYSA-N -1 3 307.796 4.249 20 0 DIADHM Cc1cccc(C(=O)Nc2ccccc2SC(C)C)c1[O-] ZINC001596046881 1055662433 /nfs/dbraw/zinc/66/24/33/1055662433.db2.gz DFTMSPNNVXONJI-UHFFFAOYSA-N -1 3 301.411 4.453 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC001626051629 1055676498 /nfs/dbraw/zinc/67/64/98/1055676498.db2.gz UTCSFHRSKGZUSX-UHFFFAOYSA-N -1 3 321.380 4.097 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC(C)(C)C2CCCC2)c1 ZINC001596345690 1055699266 /nfs/dbraw/zinc/69/92/66/1055699266.db2.gz WFOQIEGCRUYQPX-UHFFFAOYSA-N -1 3 307.459 4.060 20 0 DIADHM Cc1cccc2c1CCCN2C(=O)c1cc2c(cc1[O-])CCCC2 ZINC001565718235 1055720762 /nfs/dbraw/zinc/72/07/62/1055720762.db2.gz BUGQTAIELFVCKD-UHFFFAOYSA-N -1 3 321.420 4.172 20 0 DIADHM C[C@@H]1CCCC[C@@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565749231 1055726281 /nfs/dbraw/zinc/72/62/81/1055726281.db2.gz CKGISNFDBBFIDQ-GDBMZVCRSA-N -1 3 321.436 4.187 20 0 DIADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc([O-])c2ccccc2c1 ZINC000472522711 1055728966 /nfs/dbraw/zinc/72/89/66/1055728966.db2.gz OMPOVDAMDKRNKU-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)c([O-])c1C ZINC001566417228 1055771293 /nfs/dbraw/zinc/77/12/93/1055771293.db2.gz OLDOTFGNEDATKM-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c([O-])c1C ZINC001566589269 1055777103 /nfs/dbraw/zinc/77/71/03/1055777103.db2.gz XSDRPPDRUMGCLU-UHFFFAOYSA-N -1 3 313.397 4.399 20 0 DIADHM Cc1ccc(OCCC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC001566638372 1055777996 /nfs/dbraw/zinc/77/79/96/1055777996.db2.gz DRBUYVGATLPXQY-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CC(C)(C)c1ccc(OCCCC(=O)[N-]OC2CCCC2)cc1 ZINC001566867288 1055785473 /nfs/dbraw/zinc/78/54/73/1055785473.db2.gz LWVFDMOZCIKPBU-UHFFFAOYSA-N -1 3 319.445 4.134 20 0 DIADHM O=C(C/C=C/Cc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001567235387 1055795731 /nfs/dbraw/zinc/79/57/31/1055795731.db2.gz ZADDONLRXTUVKC-SNAWJCMRSA-N -1 3 301.773 4.173 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)c([O-])c1 ZINC001567368758 1055801308 /nfs/dbraw/zinc/80/13/08/1055801308.db2.gz DJVUFNMDIYLUGF-UZLBHIALSA-N -1 3 323.436 4.390 20 0 DIADHM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001567682517 1055812805 /nfs/dbraw/zinc/81/28/05/1055812805.db2.gz FKGDWUCAMITGIO-CABCVRRESA-N -1 3 321.436 4.185 20 0 DIADHM CCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC001568800363 1055845382 /nfs/dbraw/zinc/84/53/82/1055845382.db2.gz AYUFWIUMAXREFJ-UHFFFAOYSA-N -1 3 309.340 4.499 20 0 DIADHM CCCC[C@H](C)N(CCCC)C(=O)Cc1ccc([O-])c(F)c1 ZINC001569482618 1055863082 /nfs/dbraw/zinc/86/30/82/1055863082.db2.gz IUIRISYLWPQYRF-AWEZNQCLSA-N -1 3 309.425 4.281 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001569641627 1055867647 /nfs/dbraw/zinc/86/76/47/1055867647.db2.gz WEHRTBFTNRAHJL-DLBZAZTESA-N -1 3 309.409 4.014 20 0 DIADHM COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000061622494 1055871596 /nfs/dbraw/zinc/87/15/96/1055871596.db2.gz HNLAVJSJPSAQLK-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)Cc1csc2ccc(Cl)cc12 ZINC001569750309 1055871734 /nfs/dbraw/zinc/87/17/34/1055871734.db2.gz RTGQTKKJLYEURL-JTQLQIEISA-N -1 3 311.834 4.191 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1 ZINC001569936446 1055878395 /nfs/dbraw/zinc/87/83/95/1055878395.db2.gz QBRXTNSUJJIGGG-CHWSQXEVSA-N -1 3 321.486 4.401 20 0 DIADHM CON(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)c1ccccc1C ZINC001569957982 1055880489 /nfs/dbraw/zinc/88/04/89/1055880489.db2.gz XFYXTKMUWMLINN-LBPRGKRZSA-N -1 3 319.788 4.119 20 0 DIADHM CCc1cccc(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1[O-] ZINC001597939736 1055895781 /nfs/dbraw/zinc/89/57/81/1055895781.db2.gz DAIPRZJVDVQXKM-GFCCVEGCSA-N -1 3 317.351 4.052 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001570575472 1055908757 /nfs/dbraw/zinc/90/87/57/1055908757.db2.gz CHLJCQRCYVWZFM-IEBWSBKVSA-N -1 3 323.436 4.499 20 0 DIADHM Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c([O-])c1 ZINC001598316074 1055937039 /nfs/dbraw/zinc/93/70/39/1055937039.db2.gz MSTYDWJYRHTPDZ-LJQANCHMSA-N -1 3 309.409 4.362 20 0 DIADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540295615 1056011372 /nfs/dbraw/zinc/01/13/72/1056011372.db2.gz HIQQEOSXNXJNGI-DNVCBOLYSA-N -1 3 323.436 4.292 20 0 DIADHM Cc1ccc(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC001626527802 1056030196 /nfs/dbraw/zinc/03/01/96/1056030196.db2.gz DQKRXQSSUNJSDX-LSDHHAIUSA-N -1 3 303.446 4.283 20 0 DIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3C)n[n-]2)o1 ZINC001540437598 1056031120 /nfs/dbraw/zinc/03/11/20/1056031120.db2.gz AXLCSRMZZLZDQW-UHFFFAOYSA-N -1 3 316.744 4.159 20 0 DIADHM Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3C)[n-]n2)o1 ZINC001540437598 1056031128 /nfs/dbraw/zinc/03/11/28/1056031128.db2.gz AXLCSRMZZLZDQW-UHFFFAOYSA-N -1 3 316.744 4.159 20 0 DIADHM Cc1cccc2sc(NC(=O)c3ccc(C)c(C)c3[O-])nc21 ZINC001540436488 1056032054 /nfs/dbraw/zinc/03/20/54/1056032054.db2.gz BHQOXBZLSMRFKG-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM O=C(NCC1CCCCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001540496460 1056038365 /nfs/dbraw/zinc/03/83/65/1056038365.db2.gz UXDNODJECXLWDB-UHFFFAOYSA-N -1 3 323.436 4.293 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC001540608617 1056049587 /nfs/dbraw/zinc/04/95/87/1056049587.db2.gz GORAUUKTHJAUHR-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OCc1ccccc1 ZINC001540601243 1056049747 /nfs/dbraw/zinc/04/97/47/1056049747.db2.gz QPOSXXGXDZUADE-NVXWUHKLSA-N -1 3 309.409 4.224 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCc1ccccc1 ZINC001540601244 1056050603 /nfs/dbraw/zinc/05/06/03/1056050603.db2.gz QPOSXXGXDZUADE-RDJZCZTQSA-N -1 3 309.409 4.224 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671780632 1056063758 /nfs/dbraw/zinc/06/37/58/1056063758.db2.gz JMKPJMHZBZRHNN-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086782991 1056069997 /nfs/dbraw/zinc/06/99/97/1056069997.db2.gz NKQYMSAGJXRWHF-ZUZCIYMTSA-N -1 3 316.228 4.241 20 0 DIADHM CCCc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1Cl ZINC001610905545 1056076989 /nfs/dbraw/zinc/07/69/89/1056076989.db2.gz IKPWEJWIDATLFQ-UHFFFAOYSA-N -1 3 307.752 4.390 20 0 DIADHM CCCC[C@@](C)(F)C(=O)Nc1cc(Br)ccc1[O-] ZINC001610906493 1056078143 /nfs/dbraw/zinc/07/81/43/1056078143.db2.gz XEQCJYBZFNHAPL-CYBMUJFWSA-N -1 3 318.186 4.012 20 0 DIADHM O=C(Nc1cccc2[nH]ccc21)c1cc2c(cc1[O-])CCCC2 ZINC001611163396 1056118887 /nfs/dbraw/zinc/11/88/87/1056118887.db2.gz GGEOQMMCKCMHCJ-UHFFFAOYSA-N -1 3 306.365 4.005 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCC[C@H]1CC1CCCCC1 ZINC001542457632 1056125582 /nfs/dbraw/zinc/12/55/82/1056125582.db2.gz FOGAJEBPVZTLKX-INIZCTEOSA-N -1 3 319.420 4.035 20 0 DIADHM COCOc1ccc(Cl)cc1Nc1ccc([O-])c(F)c1F ZINC001214422027 1056125895 /nfs/dbraw/zinc/12/58/95/1056125895.db2.gz AACVFBHRJRNXJL-UHFFFAOYSA-N -1 3 315.703 4.050 20 0 DIADHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001542505407 1056128614 /nfs/dbraw/zinc/12/86/14/1056128614.db2.gz VBDJCAZNFQNEPT-UMVBOHGHSA-N -1 3 323.864 4.484 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c([O-])c1 ZINC001543174562 1056182735 /nfs/dbraw/zinc/18/27/35/1056182735.db2.gz YGPXXGYQTZKBMH-UHFFFAOYSA-N -1 3 311.425 4.389 20 0 DIADHM Cc1cccc(C(=O)N2CCCc3cc(C(C)C)ccc32)c1[O-] ZINC001543161746 1056182972 /nfs/dbraw/zinc/18/29/72/1056182972.db2.gz AJLHUVAUGSWZTO-UHFFFAOYSA-N -1 3 309.409 4.417 20 0 DIADHM CCC(C)(C)C1CCC(CC(=O)Nc2n[n-]c(SC)n2)CC1 ZINC001583924135 1056205105 /nfs/dbraw/zinc/20/51/05/1056205105.db2.gz QZVXESZGRAVHSA-UHFFFAOYSA-N -1 3 324.494 4.098 20 0 DIADHM O=C(NCc1ccc2occc2c1)c1cc([O-])c2ccccc2c1 ZINC001583982155 1056228469 /nfs/dbraw/zinc/22/84/69/1056228469.db2.gz WJPLATVXPWONSW-UHFFFAOYSA-N -1 3 317.344 4.222 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2c2cccc(C)c2)c([O-])c1 ZINC001543523553 1056243208 /nfs/dbraw/zinc/24/32/08/1056243208.db2.gz BAIXPIXFCLVRDY-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM CSc1cccc(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001543563848 1056253344 /nfs/dbraw/zinc/25/33/44/1056253344.db2.gz LFHHBPICBVEHPF-UHFFFAOYSA-N -1 3 308.786 4.125 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC001543570573 1056256309 /nfs/dbraw/zinc/25/63/09/1056256309.db2.gz FZEFYLADEPYQLD-CABCVRRESA-N -1 3 303.446 4.462 20 0 DIADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001584119012 1056266172 /nfs/dbraw/zinc/26/61/72/1056266172.db2.gz CHONMPCKNKTPJY-VXGBXAGGSA-N -1 3 303.427 4.163 20 0 DIADHM Cc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)c([O-])c1 ZINC001543796944 1056300779 /nfs/dbraw/zinc/30/07/79/1056300779.db2.gz DMABQHKWFUFGBK-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCCCC1CCC(CNC(=O)c2ccc(OC)cc2[O-])CC1 ZINC001543804608 1056301636 /nfs/dbraw/zinc/30/16/36/1056301636.db2.gz QARDWRHOYMMGMN-UHFFFAOYSA-N -1 3 319.445 4.127 20 0 DIADHM COc1cc([O-])ccc1/C=C(\C#N)c1nc2ccccc2s1 ZINC000011286321 1056338952 /nfs/dbraw/zinc/33/89/52/1056338952.db2.gz TWXVNLMBIYZPQQ-XYOKQWHBSA-N -1 3 308.362 4.075 20 0 DIADHM FC(F)(F)c1cc(-c2ccc3ncsc3c2)nc(=S)[n-]1 ZINC001240343202 1056436912 /nfs/dbraw/zinc/43/69/12/1056436912.db2.gz IVABUOWFBUCQIG-UHFFFAOYSA-N -1 3 313.329 4.061 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)c(C)cc1Cl ZINC000014255304 1056437724 /nfs/dbraw/zinc/43/77/24/1056437724.db2.gz AVNUOKXTVYEDTG-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CC[C@H](C)c1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001585029306 1056467053 /nfs/dbraw/zinc/46/70/53/1056467053.db2.gz XJZAPQSXZBWXLM-LBPRGKRZSA-N -1 3 311.381 4.361 20 0 DIADHM Cc1ccoc1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000110382334 1056509878 /nfs/dbraw/zinc/50/98/78/1056509878.db2.gz PSSQRTJYQNGUPW-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CCCOc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])c(C)c1 ZINC001544948001 1056534012 /nfs/dbraw/zinc/53/40/12/1056534012.db2.gz RQMSLRZIAHABHZ-UHFFFAOYSA-N -1 3 313.397 4.359 20 0 DIADHM CCc1ccc(C(=O)N2CCCC[C@H]2CC2CCC2)c([O-])c1 ZINC001585376677 1056541022 /nfs/dbraw/zinc/54/10/22/1056541022.db2.gz UECDEDAURIPPJG-INIZCTEOSA-N -1 3 301.430 4.140 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C)c1 ZINC000007056174 1056566820 /nfs/dbraw/zinc/56/68/20/1056566820.db2.gz YKFYMOOUOVKIQX-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM S=C1Cc2ccc(-c3ccc(N4CCCCC4)nc3)cc2[N-]1 ZINC001240586113 1056594469 /nfs/dbraw/zinc/59/44/69/1056594469.db2.gz AOSLJUWDTPSCMF-UHFFFAOYSA-N -1 3 309.438 4.034 20 0 DIADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccc(C)c1 ZINC001615920257 1056596781 /nfs/dbraw/zinc/59/67/81/1056596781.db2.gz ZBKRKQXSDOBEGP-UHFFFAOYSA-N -1 3 319.408 4.184 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000112000001 1056606169 /nfs/dbraw/zinc/60/61/69/1056606169.db2.gz BUZZCBXEFVFPPI-UHFFFAOYSA-N -1 3 310.378 4.316 20 0 DIADHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc([O-])c4ccccc4c3)C2)C1 ZINC000355589434 1056626776 /nfs/dbraw/zinc/62/67/76/1056626776.db2.gz OPPZGFOZSASMGQ-VBKZILBWSA-N -1 3 309.409 4.198 20 0 DIADHM Cc1cccc(CO[N-]C(=O)CC2CCC(C(C)(C)C)CC2)n1 ZINC001586074444 1056667497 /nfs/dbraw/zinc/66/74/97/1056667497.db2.gz VBWAFXWGOPRETL-UHFFFAOYSA-N -1 3 318.461 4.180 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001626065148 1056678701 /nfs/dbraw/zinc/67/87/01/1056678701.db2.gz FGKQTFCUINQKMB-CTYIDZIISA-N -1 3 315.800 4.030 20 0 DIADHM Cc1ccc2c(c1)CN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC000356358528 1056684119 /nfs/dbraw/zinc/68/41/19/1056684119.db2.gz IHZBHIOEPKZBHD-UHFFFAOYSA-N -1 3 303.361 4.010 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)c1[O-] ZINC001616668839 1056696589 /nfs/dbraw/zinc/69/65/89/1056696589.db2.gz ZEXHDAPGBGTJBW-HNNXBMFYSA-N -1 3 311.425 4.396 20 0 DIADHM CCOC(=O)[C@H](CC)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786763 1056696974 /nfs/dbraw/zinc/69/69/74/1056696974.db2.gz TWRXQDPRVUNBSA-OAHLLOKOSA-N -1 3 302.345 4.255 20 0 DIADHM [O-]c1ccc(-c2ccc3nnc(-c4cccc(F)c4)n3c2)cc1F ZINC001240787493 1056697301 /nfs/dbraw/zinc/69/73/01/1056697301.db2.gz HLJUPJIHAZSDDP-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)c(C(F)(F)F)c1 ZINC001240786578 1056697671 /nfs/dbraw/zinc/69/76/71/1056697671.db2.gz OIWFBRQWOQFOCE-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM COC(=O)[C@H](c1ccc(-c2ccc([O-])c(F)c2)cc1)C(C)C ZINC001240786714 1056697785 /nfs/dbraw/zinc/69/77/85/1056697785.db2.gz QXMMYKYWQBNHAU-KRWDZBQOSA-N -1 3 302.345 4.111 20 0 DIADHM COc1ccc(-c2ccc([O-])c(F)c2)c(OC(F)(F)F)c1 ZINC001240786729 1056697999 /nfs/dbraw/zinc/69/79/99/1056697999.db2.gz RLRFAVKVPVZDIN-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM O=C(Nc1ccc(-c2ccc([O-])c(F)c2)cc1)c1ccccc1 ZINC001240787367 1056698213 /nfs/dbraw/zinc/69/82/13/1056698213.db2.gz ALEKKVYHYKYWMN-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM CCN(c1ccccc1)c1cc(-c2ccc([O-])c(F)c2)ncn1 ZINC001240786128 1056698681 /nfs/dbraw/zinc/69/86/81/1056698681.db2.gz MUQSGVYUSGKZRJ-UHFFFAOYSA-N -1 3 309.344 4.146 20 0 DIADHM [O-]c1ccc(-c2ccc(OCc3ccc(F)cc3)nc2)cc1F ZINC001240789763 1056700377 /nfs/dbraw/zinc/70/03/77/1056700377.db2.gz CYVAGTLUHKNNFB-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC001586266283 1056701019 /nfs/dbraw/zinc/70/10/19/1056701019.db2.gz SAKFZRJCIODCFU-HNNXBMFYSA-N -1 3 303.446 4.414 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c1[O-] ZINC001586355227 1056720325 /nfs/dbraw/zinc/72/03/25/1056720325.db2.gz LDFNIGRPZDWMCO-GOSISDBHSA-N -1 3 323.436 4.110 20 0 DIADHM CCOC(=O)c1cc([N-]c2c(F)ccc(Cl)c2Cl)on1 ZINC001214506855 1056782653 /nfs/dbraw/zinc/78/26/53/1056782653.db2.gz AEEXSARIVNMJOE-UHFFFAOYSA-N -1 3 319.119 4.041 20 0 DIADHM COC(=O)c1ncsc1[N-]c1c(F)ccc(Cl)c1Cl ZINC001214507657 1056789191 /nfs/dbraw/zinc/78/91/91/1056789191.db2.gz OXHCTFSCTAZFPW-UHFFFAOYSA-N -1 3 321.160 4.119 20 0 DIADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2cccc(F)c2)n1 ZINC001212481716 1056795862 /nfs/dbraw/zinc/79/58/62/1056795862.db2.gz FZPQLVJSFBTNKN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/82/85/27/1056828527.db2.gz DCOGVYLMIKRZGA-UHFFFAOYSA-N -1 3 303.308 4.323 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc2sccc2c([O-])c1 ZINC001617425181 1056831315 /nfs/dbraw/zinc/83/13/15/1056831315.db2.gz GDVDEFCTLIEQGP-OUCADQQQSA-N -1 3 315.438 4.306 20 0 DIADHM Fc1cc(-c2ccccc2)ccc1-c1ccccc1-c1nnn[n-]1 ZINC001241078897 1056871477 /nfs/dbraw/zinc/87/14/77/1056871477.db2.gz UCPIZYTWWJVPQT-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1cc(-c2ccccc2)ccc1-c1ccccc1-c1nn[n-]n1 ZINC001241078897 1056871491 /nfs/dbraw/zinc/87/14/91/1056871491.db2.gz UCPIZYTWWJVPQT-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC001617949593 1056905829 /nfs/dbraw/zinc/90/58/29/1056905829.db2.gz AHIZUXRBDQNPMJ-LBPRGKRZSA-N -1 3 317.454 4.247 20 0 DIADHM CCN(CC)Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001241186569 1056951311 /nfs/dbraw/zinc/95/13/11/1056951311.db2.gz FHDMATROEVIWSQ-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(-c3c[nH]c4ccccc43)nn2)c1 ZINC001241258031 1056984226 /nfs/dbraw/zinc/98/42/26/1056984226.db2.gz SCFYJVNYLIFFJT-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(F)cc(-c2nnc(-c3ccco3)cc2C(F)(F)F)c1 ZINC001241261402 1056985301 /nfs/dbraw/zinc/98/53/01/1056985301.db2.gz NOEVWHXWRLNDHJ-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM COC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC001241267428 1056988715 /nfs/dbraw/zinc/98/87/15/1056988715.db2.gz VJKBVJYGMJQWBK-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)c(C(F)(F)F)c1 ZINC001241271926 1056990142 /nfs/dbraw/zinc/99/01/42/1056990142.db2.gz VZSOEJJJXZVCDF-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1cc([O-])cc(F)c1 ZINC001241271988 1056990292 /nfs/dbraw/zinc/99/02/92/1056990292.db2.gz XSHPOEPXEJXWLE-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(-c3nc4cc[nH]cc-4n3)cc2)c1 ZINC001241271425 1056990310 /nfs/dbraw/zinc/99/03/10/1056990310.db2.gz FTRLBUZPIUTKKO-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241277881 1056993514 /nfs/dbraw/zinc/99/35/14/1056993514.db2.gz RKXILJSLHAUGPG-KRWDZBQOSA-N -1 3 302.345 4.255 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(OCc3cccc(F)c3)nc2)c1 ZINC001241280850 1056994259 /nfs/dbraw/zinc/99/42/59/1056994259.db2.gz VHSZKXFQSWPBKY-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(O[C@@H]3CCCCO3)cc2F)c1 ZINC001241281582 1056994783 /nfs/dbraw/zinc/99/47/83/1056994783.db2.gz DWRCGBUSKFKYLO-QGZVFWFLSA-N -1 3 306.308 4.243 20 0 DIADHM FC(F)(F)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001241288032 1056997869 /nfs/dbraw/zinc/99/78/69/1056997869.db2.gz MEIVVAPXGQQECD-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001241288032 1056997871 /nfs/dbraw/zinc/99/78/71/1056997871.db2.gz MEIVVAPXGQQECD-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(C)(C)OC(=O)Nc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241292436 1056999539 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COc1ncc(-c2ccccc2)cc1-c1c(F)ccc([O-])c1F ZINC001241294991 1057001882 /nfs/dbraw/zinc/00/18/82/1057001882.db2.gz DHQXMUYFKRJOBA-UHFFFAOYSA-N -1 3 313.303 4.408 20 0 DIADHM COC(=O)c1cccc2cc(-c3c(F)ccc([O-])c3F)ccc21 ZINC001241294921 1057002097 /nfs/dbraw/zinc/00/20/97/1057002097.db2.gz AWTSXFHBVRYOSS-UHFFFAOYSA-N -1 3 314.287 4.277 20 0 DIADHM c1ccc2c(c1)[nH]c1cc(-c3ccc(-c4nnn[n-]4)cc3)ccc12 ZINC001241444478 1057049804 /nfs/dbraw/zinc/04/98/04/1057049804.db2.gz CSFLVQJSLLWZGQ-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1cc(-c3ccc(-c4nn[n-]n4)cc3)ccc12 ZINC001241444478 1057049811 /nfs/dbraw/zinc/04/98/11/1057049811.db2.gz CSFLVQJSLLWZGQ-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1c2cccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241445319 1057050276 /nfs/dbraw/zinc/05/02/76/1057050276.db2.gz LTJIKBZDACSVMV-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1c2cccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241445319 1057050280 /nfs/dbraw/zinc/05/02/80/1057050280.db2.gz 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C=CC(=O)Oc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242169036 1057286898 /nfs/dbraw/zinc/28/68/98/1057286898.db2.gz ZRGJHSBJYONPMT-UHFFFAOYSA-N -1 3 308.255 4.169 20 0 DIADHM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])c(C(F)(F)F)c1 ZINC001242218375 1057296584 /nfs/dbraw/zinc/29/65/84/1057296584.db2.gz BOHNGGUMWYSQNP-UHFFFAOYSA-N -1 3 313.250 4.176 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242221046 1057297583 /nfs/dbraw/zinc/29/75/83/1057297583.db2.gz IFDFLLDDHPIUDF-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM COc1c(F)cc(-c2ccc(F)cc2[O-])cc1C(F)(F)F ZINC001242219901 1057297831 /nfs/dbraw/zinc/29/78/31/1057297831.db2.gz WKNLSWDSAHPHRM-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001242219809 1057298273 /nfs/dbraw/zinc/29/82/73/1057298273.db2.gz RRGRBANBHZLCET-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM [O-]c1c(F)cccc1-c1ccc2nnc(-c3ccccc3F)n2c1 ZINC001242352254 1057342617 /nfs/dbraw/zinc/34/26/17/1057342617.db2.gz 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O=C(NCCCc1ccccc1F)c1cc([O-])c2ccccc2c1 ZINC000527281274 1057662501 /nfs/dbraw/zinc/66/25/01/1057662501.db2.gz MNKXTOHTTGVEPR-UHFFFAOYSA-N -1 3 323.367 4.047 20 0 DIADHM Cc1ccc(F)c(CN(C)C(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000527469683 1057663773 /nfs/dbraw/zinc/66/37/73/1057663773.db2.gz XEYJAMIAHAGQOJ-UHFFFAOYSA-N -1 3 323.367 4.265 20 0 DIADHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C2CCCC2)cc1 ZINC001243491582 1057695077 /nfs/dbraw/zinc/69/50/77/1057695077.db2.gz FNIAJEVNRZFJAU-UHFFFAOYSA-N -1 3 320.396 4.200 20 0 DIADHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C2CCCC2)cc1 ZINC001243491582 1057695080 /nfs/dbraw/zinc/69/50/80/1057695080.db2.gz FNIAJEVNRZFJAU-UHFFFAOYSA-N -1 3 320.396 4.200 20 0 DIADHM COc1ccc(-c2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001243504034 1057697311 /nfs/dbraw/zinc/69/73/11/1057697311.db2.gz XIDWMMGJSHVDPJ-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1c(F)cc(F)cc1-c1cc2c3c(c1)CCCN3CCC2 ZINC001243505002 1057698037 /nfs/dbraw/zinc/69/80/37/1057698037.db2.gz DQMGYNNSLWRCSG-UHFFFAOYSA-N -1 3 301.336 4.036 20 0 DIADHM [O-]c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cn2)c1F ZINC001243543573 1057708393 /nfs/dbraw/zinc/70/83/93/1057708393.db2.gz GQDKAEDDBAISHQ-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cccc(-c2ncccc2OCc2ccc(F)cc2)c1F ZINC001243542938 1057708401 /nfs/dbraw/zinc/70/84/01/1057708401.db2.gz AFDZZLRQCABJMF-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C(Nc1ccccc1)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546445 1057709778 /nfs/dbraw/zinc/70/97/78/1057709778.db2.gz HOTZVVZOBTYDBH-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM [O-]c1cccc(-c2ncnc3c(-c4ccccc4)nsc32)c1F ZINC001243544579 1057709827 /nfs/dbraw/zinc/70/98/27/1057709827.db2.gz RSLXBYSLSPJCIR-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM COC(=O)c1cccc(C(F)(F)F)c1-c1cccc([O-])c1F ZINC001243547413 1057710380 /nfs/dbraw/zinc/71/03/80/1057710380.db2.gz REKQCQBUJAIIJF-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1ccc(F)cc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243605577 1057730533 /nfs/dbraw/zinc/73/05/33/1057730533.db2.gz IISNPKNWFNHEHT-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2[O-])c(F)c1 ZINC001243607198 1057730962 /nfs/dbraw/zinc/73/09/62/1057730962.db2.gz RCBARULMETVCAH-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1c(F)ccc(F)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243611629 1057733005 /nfs/dbraw/zinc/73/30/05/1057733005.db2.gz OVWGRZRUAAOXNS-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cccnc1OC(F)F ZINC001243611297 1057733198 /nfs/dbraw/zinc/73/31/98/1057733198.db2.gz IHRRTICZMSDKAR-UHFFFAOYSA-N -1 3 305.202 4.074 20 0 DIADHM COC(=O)c1cccc(F)c1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243612064 1057733834 /nfs/dbraw/zinc/73/38/34/1057733834.db2.gz QREADWMAWUEPCY-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM O=c1[n-]c(Oc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000731905449 1057759021 /nfs/dbraw/zinc/75/90/21/1057759021.db2.gz ITBFFKIUEKZBHL-UHFFFAOYSA-N -1 3 307.136 4.435 20 0 DIADHM [O-]c1ccc(CNCc2c(F)cccc2Cl)cc1Cl ZINC000733325986 1057813015 /nfs/dbraw/zinc/81/30/15/1057813015.db2.gz BWNXMBRMXORSEM-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM CC(C)(C)c1csc(CNCc2ccc([O-])c(Cl)c2)n1 ZINC000733328443 1057814132 /nfs/dbraw/zinc/81/41/32/1057814132.db2.gz QXYRDZANPUOHSM-UHFFFAOYSA-N -1 3 310.850 4.089 20 0 DIADHM [O-]c1cccc(Cl)c1-c1cnc(OCc2ccccc2)nc1 ZINC001244043696 1057847220 /nfs/dbraw/zinc/84/72/20/1057847220.db2.gz FDBRMJXHIZWJNZ-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM COC(=O)c1cccc2c(-c3c([O-])cccc3Cl)ccnc12 ZINC001244044540 1057847387 /nfs/dbraw/zinc/84/73/87/1057847387.db2.gz MMBHZLWYQXMAEQ-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CC(C)(C)OC(=O)Nc1ccc(-c2c([O-])cccc2Cl)cn1 ZINC001244045352 1057848278 /nfs/dbraw/zinc/84/82/78/1057848278.db2.gz VQOPNWLRFZPAKB-UHFFFAOYSA-N -1 3 320.776 4.455 20 0 DIADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1cccc(F)c1 ZINC001244048894 1057849585 /nfs/dbraw/zinc/84/95/85/1057849585.db2.gz VUUFSORUFDWVAW-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM Fc1cc(C2CC2)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244124443 1057877716 /nfs/dbraw/zinc/87/77/16/1057877716.db2.gz HQKAHYNQASAZQR-UHFFFAOYSA-N -1 3 314.307 4.468 20 0 DIADHM CC(C)(C)C(=O)Nc1ccc(Cl)cc1-c1ccc(=S)[n-]n1 ZINC001244375353 1057946832 /nfs/dbraw/zinc/94/68/32/1057946832.db2.gz RARJPHRHWKMFGY-UHFFFAOYSA-N -1 3 321.833 4.070 20 0 DIADHM Cc1cccc2ncc(-c3cc(OC(F)(F)F)ccc3[O-])nc12 ZINC001244456945 1057963112 /nfs/dbraw/zinc/96/31/12/1057963112.db2.gz VVFPBFXRZITUIG-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2cc(F)ccc21 ZINC001244455920 1057963345 /nfs/dbraw/zinc/96/33/45/1057963345.db2.gz MWOXJCAGRUOZEY-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc(C2CCC2)ncn1 ZINC001244458837 1057963489 /nfs/dbraw/zinc/96/34/89/1057963489.db2.gz WSRJAYBPOMDOND-UHFFFAOYSA-N -1 3 310.275 4.015 20 0 DIADHM Cc1noc(-c2ccc(-c3ccc(Cl)cc3[O-])cc2F)n1 ZINC001244469444 1057968165 /nfs/dbraw/zinc/96/81/65/1057968165.db2.gz IPVSGSTXIRAQHV-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM CN1C(=O)CC(C)(C)c2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244471495 1057968754 /nfs/dbraw/zinc/96/87/54/1057968754.db2.gz GRNHDSGDZQFUPA-UHFFFAOYSA-N -1 3 315.800 4.357 20 0 DIADHM COc1cc(C(F)(F)F)c(-c2ccc(Cl)cc2[O-])cn1 ZINC001244472790 1057969298 /nfs/dbraw/zinc/96/92/98/1057969298.db2.gz QALGUEORZLSURF-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM COC(=O)c1nc2c(cccc2-c2ccc(Cl)cc2[O-])s1 ZINC001244472212 1057969302 /nfs/dbraw/zinc/96/93/02/1057969302.db2.gz OJGZIKLIOSQBCB-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM [O-]c1cc(Cl)ccc1-c1ccc(C2N=NC(=S)O2)cc1 ZINC001244473606 1057969509 /nfs/dbraw/zinc/96/95/09/1057969509.db2.gz UUCFSHKHAPJRGN-UHFFFAOYSA-N -1 3 304.758 4.051 20 0 DIADHM CCOC(=O)c1c(F)cc(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244475655 1057970458 /nfs/dbraw/zinc/97/04/58/1057970458.db2.gz KUMHBWPBAITSEO-UHFFFAOYSA-N -1 3 312.699 4.168 20 0 DIADHM Cc1cc(Cl)c(-c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001244505304 1057979795 /nfs/dbraw/zinc/97/97/95/1057979795.db2.gz LAUAOMOPJQVZCW-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(Cl)c(-c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001244505304 1057979799 /nfs/dbraw/zinc/97/97/99/1057979799.db2.gz LAUAOMOPJQVZCW-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2nccc(-c3ccc(N(C)C)cc3)n2)cc([O-])c1F ZINC001244507326 1057980408 /nfs/dbraw/zinc/98/04/08/1057980408.db2.gz MLKCRWZCUYXWAW-UHFFFAOYSA-N -1 3 323.371 4.030 20 0 DIADHM Cc1ccc(-c2c(F)ccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC001244509654 1057981397 /nfs/dbraw/zinc/98/13/97/1057981397.db2.gz DYPNXYYDTJABFQ-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1ccc(-c2c(F)ccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC001244509654 1057981401 /nfs/dbraw/zinc/98/14/01/1057981401.db2.gz DYPNXYYDTJABFQ-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM CCOC(=O)CCc1ccccc1-c1cc(C)c(F)c([O-])c1 ZINC001244516218 1057983467 /nfs/dbraw/zinc/98/34/67/1057983467.db2.gz PUNFGAMWBNSDKF-UHFFFAOYSA-N -1 3 302.345 4.002 20 0 DIADHM Cc1cc(-c2cc(F)c(OC(F)F)c(F)c2)cc([O-])c1F ZINC001244515729 1057983475 /nfs/dbraw/zinc/98/34/75/1057983475.db2.gz LKWGUNDIRNECDY-UHFFFAOYSA-N -1 3 304.214 4.386 20 0 DIADHM COc1cc2cnc(-c3cc(C)c(F)c([O-])c3)cc2cc1F ZINC001244517837 1057984013 /nfs/dbraw/zinc/98/40/13/1057984013.db2.gz OCLRDAHMWJIUOF-UHFFFAOYSA-N -1 3 301.292 4.203 20 0 DIADHM CC[C@@H](C(=O)OC)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244520086 1057984574 /nfs/dbraw/zinc/98/45/74/1057984574.db2.gz JEAXCQKFLAEJCP-OAHLLOKOSA-N -1 3 302.345 4.173 20 0 DIADHM Cc1cc(-c2ccc(N3CCSCC3)cc2)cc([O-])c1F ZINC001244525754 1057985572 /nfs/dbraw/zinc/98/55/72/1057985572.db2.gz QCDHOOQHHPHWBU-UHFFFAOYSA-N -1 3 303.402 4.060 20 0 DIADHM Cc1cc(-c2ccc(NC(=O)c3ccccn3)cc2)cc([O-])c1F ZINC001244524791 1057985606 /nfs/dbraw/zinc/98/56/06/1057985606.db2.gz GOPWDBUQMGJYOV-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM COc1cc(-c2cc(C)c(F)c([O-])c2)ccc1-c1cnc(C)o1 ZINC001244525348 1057985631 /nfs/dbraw/zinc/98/56/31/1057985631.db2.gz LKYUCEKARNAUHD-UHFFFAOYSA-N -1 3 313.328 4.479 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)cc2[nH]ccc21 ZINC001244537219 1057988814 /nfs/dbraw/zinc/98/88/14/1057988814.db2.gz JSTBCNDIPCQOOL-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM CCOC(=O)Cc1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244537155 1057988995 /nfs/dbraw/zinc/98/89/95/1057988995.db2.gz IAWRQUOZRAKBIS-UHFFFAOYSA-N -1 3 304.773 4.127 20 0 DIADHM COc1cc(-c2cc(C)c([O-])c(Cl)c2)cc(OC)c1OC ZINC001244537084 1057989394 /nfs/dbraw/zinc/98/93/94/1057989394.db2.gz GLIIHUGATDTQKY-UHFFFAOYSA-N -1 3 308.761 4.047 20 0 DIADHM Cc1cc(-c2ccc(C(=O)N3CCCC3)cc2)cc(Cl)c1[O-] ZINC001244550749 1057993412 /nfs/dbraw/zinc/99/34/12/1057993412.db2.gz KPQDOCBGMGGORM-UHFFFAOYSA-N -1 3 315.800 4.257 20 0 DIADHM Cc1cc(-c2cc(C)c3c(c2)CCC(=O)N3)cc(Cl)c1[O-] ZINC001244550325 1057993678 /nfs/dbraw/zinc/99/36/78/1057993678.db2.gz AILMXJHYQAXQSK-UHFFFAOYSA-N -1 3 301.773 4.214 20 0 DIADHM Cc1cc(-c2cccc3c2C(C)(C)CNC3=O)cc(Cl)c1[O-] ZINC001244554681 1057994382 /nfs/dbraw/zinc/99/43/82/1057994382.db2.gz MDSAEXCALUPHEW-UHFFFAOYSA-N -1 3 315.800 4.042 20 0 DIADHM Cc1cc(-c2ccn(-c3ccccc3)c(=O)c2)cc(Cl)c1[O-] ZINC001244553660 1057994403 /nfs/dbraw/zinc/99/44/03/1057994403.db2.gz GWVXYUSLBSFGQC-UHFFFAOYSA-N -1 3 311.768 4.172 20 0 DIADHM COC(=O)[C@@H](C)c1cccc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244556866 1057994724 /nfs/dbraw/zinc/99/47/24/1057994724.db2.gz YLFUMWDXXTYFNT-NSHDSACASA-N -1 3 304.773 4.298 20 0 DIADHM COC(=O)c1nc2nc(-c3cccc(C4CCCC4)c3)ccc2[n-]1 ZINC001244989295 1058087393 /nfs/dbraw/zinc/08/73/93/1058087393.db2.gz UNPSQAZUJIHIEM-UHFFFAOYSA-N -1 3 321.380 4.069 20 0 DIADHM COC(=O)c1nc2ccc(-c3cccc(C4CCCC4)c3)nc2[n-]1 ZINC001244989295 1058087396 /nfs/dbraw/zinc/08/73/96/1058087396.db2.gz UNPSQAZUJIHIEM-UHFFFAOYSA-N -1 3 321.380 4.069 20 0 DIADHM COC(=O)c1nc2ccc(-c3cccc(C4CCCC4)c3)[n-]c-2n1 ZINC001244989295 1058087398 /nfs/dbraw/zinc/08/73/98/1058087398.db2.gz UNPSQAZUJIHIEM-UHFFFAOYSA-N -1 3 321.380 4.069 20 0 DIADHM Cc1ccc(-c2cc(C)c(C)cc2OC(C)C)cc1-c1nnn[n-]1 ZINC001245032694 1058099275 /nfs/dbraw/zinc/09/92/75/1058099275.db2.gz XGEOSCUXBRGWJS-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM Cc1ccc(-c2cc(C)c(C)cc2OC(C)C)cc1-c1nn[n-]n1 ZINC001245032694 1058099283 /nfs/dbraw/zinc/09/92/83/1058099283.db2.gz XGEOSCUXBRGWJS-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM [O-]c1ccc(-c2cc(N3CCc4ccccc43)ncn2)c(Cl)c1 ZINC001245080803 1058108324 /nfs/dbraw/zinc/10/83/24/1058108324.db2.gz ZJLGVJFPHNEQRX-UHFFFAOYSA-N -1 3 323.783 4.197 20 0 DIADHM [O-]c1ccc(-c2ccnc(Cc3ccc(F)cc3)n2)c(Cl)c1 ZINC001245080205 1058108386 /nfs/dbraw/zinc/10/83/86/1058108386.db2.gz VISWXBNSVRKVEO-UHFFFAOYSA-N -1 3 314.747 4.233 20 0 DIADHM COC(=O)c1ccc2c(ccnc2-c2ccc([O-])cc2Cl)c1 ZINC001245082143 1058108488 /nfs/dbraw/zinc/10/84/88/1058108488.db2.gz VLFLXGIHCXRECU-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1ccc(F)cc1 ZINC001245083022 1058109055 /nfs/dbraw/zinc/10/90/55/1058109055.db2.gz JSKZSAZHEJWIIV-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(Cl)c1Cl ZINC001245099831 1058113368 /nfs/dbraw/zinc/11/33/68/1058113368.db2.gz JRZZYHKHCSWJCG-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(Cl)c1Cl ZINC001245099831 1058113370 /nfs/dbraw/zinc/11/33/70/1058113370.db2.gz JRZZYHKHCSWJCG-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM c1ccc2c(c1)Cc1cc(-c3ccccc3-c3nnn[n-]3)ccc1-2 ZINC001245284684 1058140852 /nfs/dbraw/zinc/14/08/52/1058140852.db2.gz RCGKSUKIYJUHAK-UHFFFAOYSA-N -1 3 310.360 4.105 20 0 DIADHM c1ccc2c(c1)Cc1cc(-c3ccccc3-c3nn[n-]n3)ccc1-2 ZINC001245284684 1058140853 /nfs/dbraw/zinc/14/08/53/1058140853.db2.gz RCGKSUKIYJUHAK-UHFFFAOYSA-N -1 3 310.360 4.105 20 0 DIADHM FC(F)(F)CSc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001245411975 1058162507 /nfs/dbraw/zinc/16/25/07/1058162507.db2.gz HJJZEXHYGHWYCS-UHFFFAOYSA-N -1 3 302.346 4.087 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c([O-])c1 ZINC001545078446 1058181439 /nfs/dbraw/zinc/18/14/39/1058181439.db2.gz RCSVKBZAJWKZBH-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001545245863 1058191502 /nfs/dbraw/zinc/19/15/02/1058191502.db2.gz YYPNWBHQWQYRJX-XJKSGUPXSA-N -1 3 321.436 4.185 20 0 DIADHM CC(C)c1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC001527797046 1058243541 /nfs/dbraw/zinc/24/35/41/1058243541.db2.gz ALVYGOCUXIUDEA-ZDUSSCGKSA-N -1 3 317.326 4.204 20 0 DIADHM [O-]c1cccc(F)c1-c1ccnc(OCc2cccc(F)c2)c1 ZINC001245653231 1058309448 /nfs/dbraw/zinc/30/94/48/1058309448.db2.gz APMVTMZHMOQXBV-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CCOC(=O)CCCc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245656852 1058312750 /nfs/dbraw/zinc/31/27/50/1058312750.db2.gz VSMKLRUFHYFYLY-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM [O-]c1cccc(F)c1-c1ccc(OCc2ccc(F)cc2)nc1 ZINC001245655973 1058313182 /nfs/dbraw/zinc/31/31/82/1058313182.db2.gz SDBJYNKYUYJVEA-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1c([O-])cccc1F ZINC001245656712 1058313653 /nfs/dbraw/zinc/31/36/53/1058313653.db2.gz MSMPQIUDXXJDHS-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2c([O-])cccc2F)c(F)c1 ZINC001245656613 1058313949 /nfs/dbraw/zinc/31/39/49/1058313949.db2.gz UETWRGOAVPJJMU-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM COC(=O)c1cccc(C(F)(F)F)c1-c1c([O-])cccc1F ZINC001245655846 1058315208 /nfs/dbraw/zinc/31/52/08/1058315208.db2.gz KDJZDVWGTDTZQC-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cc(F)c(-c2cnccc2CN2CCCCC2)cc1Cl ZINC001245674449 1058336431 /nfs/dbraw/zinc/33/64/31/1058336431.db2.gz XXNBLTRTOZJGPZ-UHFFFAOYSA-N -1 3 320.795 4.233 20 0 DIADHM Cc1coc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC001528208700 1058363441 /nfs/dbraw/zinc/36/34/41/1058363441.db2.gz ZFJUEDGCTATTOE-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM FC(F)(F)c1cccc(-c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC001245712989 1058385027 /nfs/dbraw/zinc/38/50/27/1058385027.db2.gz JDWGEJVTUPZVOL-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cccc(-c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC001245712989 1058385041 /nfs/dbraw/zinc/38/50/41/1058385041.db2.gz JDWGEJVTUPZVOL-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM O=C([N-][C@@H](CC1CCCC1)c1ccccc1)C(F)(F)C(F)F ZINC001519561429 1058438956 /nfs/dbraw/zinc/43/89/56/1058438956.db2.gz UUCGLMZULBZFEN-ZDUSSCGKSA-N -1 3 317.326 4.325 20 0 DIADHM CC(C)(C)Cc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC001556081753 1058541093 /nfs/dbraw/zinc/54/10/93/1058541093.db2.gz KIEBXQSJJPRHNA-UHFFFAOYSA-N -1 3 324.833 4.343 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)c1 ZINC001556281393 1058572836 /nfs/dbraw/zinc/57/28/36/1058572836.db2.gz HJWFMPXERSXIOW-ZIAGYGMSSA-N -1 3 321.486 4.449 20 0 DIADHM CC(C)Cc1ccc(CCC(=O)[N-]OC2CCCCC2)cc1 ZINC001556300390 1058576302 /nfs/dbraw/zinc/57/63/02/1058576302.db2.gz RCYYYJAZSYJHBA-UHFFFAOYSA-N -1 3 303.446 4.198 20 0 DIADHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OC1CCCCC1 ZINC001556300557 1058576771 /nfs/dbraw/zinc/57/67/71/1058576771.db2.gz XHOVOGKECKUROP-UHFFFAOYSA-N -1 3 313.397 4.260 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)Cc2cc(C)cc(C)c2)c1 ZINC001556492596 1058603204 /nfs/dbraw/zinc/60/32/04/1058603204.db2.gz IUXOGULRBYNSKN-UHFFFAOYSA-N -1 3 315.438 4.003 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1coc(C(F)F)c1 ZINC001520437723 1058613245 /nfs/dbraw/zinc/61/32/45/1058613245.db2.gz CLWNJTMYVHNOBS-UHFFFAOYSA-N -1 3 307.630 4.401 20 0 DIADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@H]1CCC[C@H](C)C1 ZINC001556806360 1058646342 /nfs/dbraw/zinc/64/63/42/1058646342.db2.gz JXKOBNNGOUDZRD-GJZGRUSLSA-N -1 3 319.445 4.222 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@H](C)C2CCCCC2)c1[O-] ZINC001556853683 1058655872 /nfs/dbraw/zinc/65/58/72/1058655872.db2.gz QHCTWTNZRKWKNP-LBPRGKRZSA-N -1 3 303.402 4.140 20 0 DIADHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001556847907 1058656958 /nfs/dbraw/zinc/65/69/58/1058656958.db2.gz QYFAETPFKBRTOO-GJZGRUSLSA-N -1 3 319.445 4.346 20 0 DIADHM Cc1c(F)c(F)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001556996873 1058681940 /nfs/dbraw/zinc/68/19/40/1058681940.db2.gz RWNYZTPCKCHGOT-UHFFFAOYSA-N -1 3 317.335 4.110 20 0 DIADHM Cc1ccc2c(c1)CCN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC001557099971 1058701123 /nfs/dbraw/zinc/70/11/23/1058701123.db2.gz FCLNZVMGIZWWDN-UHFFFAOYSA-N -1 3 317.388 4.052 20 0 DIADHM Cc1cccc(C(=O)Nc2csc(-c3ccccc3)n2)c1[O-] ZINC001557358117 1058739412 /nfs/dbraw/zinc/73/94/12/1058739412.db2.gz MPWMXADWWSPARR-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCc1cccc(C(=O)N2CCc3ccc(C(C)C)cc3C2)c1[O-] ZINC001557400726 1058742172 /nfs/dbraw/zinc/74/21/72/1058742172.db2.gz ZYGOXTLDYSWDEV-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2ccsc2Cl)c(F)c1 ZINC001521103707 1058759767 /nfs/dbraw/zinc/75/97/67/1058759767.db2.gz JXIZOVQKAJOCLE-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM C/C=C/C[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001557792970 1058796230 /nfs/dbraw/zinc/79/62/30/1058796230.db2.gz QZONYYXUIJQQLJ-IBUXWKBASA-N -1 3 315.438 4.425 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c1 ZINC001558479971 1058874992 /nfs/dbraw/zinc/87/49/92/1058874992.db2.gz XQJFLOQMDWPZHV-KXBFYZLASA-N -1 3 323.436 4.363 20 0 DIADHM O=C(Nc1cccc(-c2ccccc2)c1)c1c([O-])cccc1O ZINC001558978084 1058934137 /nfs/dbraw/zinc/93/41/37/1058934137.db2.gz KVYCLCDDOZDFJL-UHFFFAOYSA-N -1 3 305.333 4.017 20 0 DIADHM Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1C ZINC001559388596 1059199233 /nfs/dbraw/zinc/19/92/33/1059199233.db2.gz RVXBMMGSWGENAY-UHFFFAOYSA-N -1 3 300.427 4.110 20 0 DIADHM O=c1cc(CN(c2ccccc2)C2CCCC2)nc(C2CC2)[n-]1 ZINC001559607124 1059439758 /nfs/dbraw/zinc/43/97/58/1059439758.db2.gz AXGGGFLZCZZNDD-UHFFFAOYSA-N -1 3 309.413 4.009 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1sccc1C(F)F ZINC001524219055 1059474863 /nfs/dbraw/zinc/47/48/63/1059474863.db2.gz WXRPAKHBNRXXNT-UHFFFAOYSA-N -1 3 307.243 4.355 20 0 DIADHM Cc1ccc(Cl)cc1-c1noc(Cc2ccc([O-])cc2F)n1 ZINC001248141391 1059737118 /nfs/dbraw/zinc/73/71/18/1059737118.db2.gz ARHNHHTUJQXKDY-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1cc(Cl)ccc1NC(=S)Nc1c([O-])cccc1F ZINC001248411787 1059819825 /nfs/dbraw/zinc/81/98/25/1059819825.db2.gz FHSVZYYGZBAWFK-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM Cc1cccc2[nH]c(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc21 ZINC001248433438 1059828455 /nfs/dbraw/zinc/82/84/55/1059828455.db2.gz PWZNTTZVUZBVLK-UHFFFAOYSA-N -1 3 304.353 4.111 20 0 DIADHM CCc1cccc(C)c1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001249560599 1060291224 /nfs/dbraw/zinc/29/12/24/1060291224.db2.gz IGPKPDRRMLAHIW-UHFFFAOYSA-N -1 3 304.390 4.211 20 0 DIADHM CCc1cccc(C)c1NC(=S)Nc1c([O-])cccc1F ZINC001249552831 1060291830 /nfs/dbraw/zinc/29/18/30/1060291830.db2.gz OLFLJEASOPCQCO-UHFFFAOYSA-N -1 3 304.390 4.211 20 0 DIADHM [O-]c1cc(F)cnc1Nc1cccc(SCC(F)(F)F)c1 ZINC001249563225 1060294506 /nfs/dbraw/zinc/29/45/06/1060294506.db2.gz IUJOVGFJQJILOP-UHFFFAOYSA-N -1 3 318.295 4.324 20 0 DIADHM [O-]c1cc(Cl)c(Nc2ccncc2C(F)(F)F)cc1Cl ZINC001249590021 1060305129 /nfs/dbraw/zinc/30/51/29/1060305129.db2.gz LRWJPIAGDBZVTQ-UHFFFAOYSA-N -1 3 323.101 4.278 20 0 DIADHM C[C@H](NC(=S)Nc1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC001249603808 1060308573 /nfs/dbraw/zinc/30/85/73/1060308573.db2.gz KQEPKZNIMIOXTQ-VIFPVBQESA-N -1 3 324.808 4.232 20 0 DIADHM CC(C)N(Cc1ccccc1F)Cc1c(F)ccc([O-])c1F ZINC001560638421 1060457692 /nfs/dbraw/zinc/45/76/92/1060457692.db2.gz AHRGYINGDRTFBP-UHFFFAOYSA-N -1 3 309.331 4.220 20 0 DIADHM Cc1cccc(C)c1NC(=O)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001250006676 1060535156 /nfs/dbraw/zinc/53/51/56/1060535156.db2.gz MUZATVBBWSBCBP-UHFFFAOYSA-N -1 3 323.314 4.209 20 0 DIADHM [O-]c1cc(F)c(Nc2cccnc2N2CCCCC2)cc1Cl ZINC001250020245 1060543569 /nfs/dbraw/zinc/54/35/69/1060543569.db2.gz GVBGGKLPLVITEC-UHFFFAOYSA-N -1 3 321.783 4.314 20 0 DIADHM [O-]c1cc(F)c(Nc2cncc(N3CCCCC3)c2)cc1Cl ZINC001250023099 1060547219 /nfs/dbraw/zinc/54/72/19/1060547219.db2.gz CCJWIWZYDMVMPF-UHFFFAOYSA-N -1 3 321.783 4.314 20 0 DIADHM CCOc1nccc([N-]c2nnc(C(C)(C)C)s2)c1Cl ZINC001250245826 1060726532 /nfs/dbraw/zinc/72/65/32/1060726532.db2.gz CNTXBZWKPPLXQM-UHFFFAOYSA-N -1 3 312.826 4.026 20 0 DIADHM O=C(Cc1ccc([O-])c(C(F)(F)F)c1)c1ccc(F)cc1F ZINC001250249519 1060729332 /nfs/dbraw/zinc/72/93/32/1060729332.db2.gz YRMGKBMNDDZLBA-UHFFFAOYSA-N -1 3 316.225 4.115 20 0 DIADHM COc1cc(Nc2ncc(Cl)cc2[O-])c(F)c(F)c1Cl ZINC001250263672 1060740437 /nfs/dbraw/zinc/74/04/37/1060740437.db2.gz YYYLLLWGTAWOCF-UHFFFAOYSA-N -1 3 321.110 4.124 20 0 DIADHM COc1cc(Cc2ccc([O-])c(C(F)(F)F)c2)cc(OC)c1 ZINC001250297376 1060762398 /nfs/dbraw/zinc/76/23/98/1060762398.db2.gz HDTYOTVDVVBEAB-UHFFFAOYSA-N -1 3 312.287 4.019 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1nc2cc(N3CCCC3)ccc2[nH]1 ZINC001250458300 1060816262 /nfs/dbraw/zinc/81/62/62/1060816262.db2.gz UNJVVOCMYAONTM-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM Cc1ccc(F)c2nc(-c3cc(Br)ccc3[O-])[nH]c21 ZINC001250457797 1060817608 /nfs/dbraw/zinc/81/76/08/1060817608.db2.gz CIDYEZCFUIILHR-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM O=c1cc(-c2nc3c(cc(C(F)(F)F)cc3Cl)[n-]2)cc[nH]1 ZINC001250532774 1060881349 /nfs/dbraw/zinc/88/13/49/1060881349.db2.gz DAVLQJMQNCOSJC-UHFFFAOYSA-N -1 3 313.666 4.003 20 0 DIADHM O=c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[n-]2)cc[nH]1 ZINC001250532774 1060881361 /nfs/dbraw/zinc/88/13/61/1060881361.db2.gz DAVLQJMQNCOSJC-UHFFFAOYSA-N -1 3 313.666 4.003 20 0 DIADHM CCOc1cc(CN2CCc3cc(C)ccc32)cc(Cl)c1[O-] ZINC001462183112 1061003760 /nfs/dbraw/zinc/00/37/60/1061003760.db2.gz HSRRLSCPWKNBDL-UHFFFAOYSA-N -1 3 317.816 4.315 20 0 DIADHM Cc1cc(F)cc2nc(-c3c([O-])cccc3Br)[nH]c21 ZINC001250842950 1061088422 /nfs/dbraw/zinc/08/84/22/1061088422.db2.gz AJHPLSYWRQMVKL-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM CCn1c2ccc3ncccc3c2nc1-c1cc(F)ccc1[O-] ZINC001250838010 1061089832 /nfs/dbraw/zinc/08/98/32/1061089832.db2.gz SXEJAPDWDWWRKT-UHFFFAOYSA-N -1 3 307.328 4.116 20 0 DIADHM [O-]c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Br ZINC001250880977 1061107670 /nfs/dbraw/zinc/10/76/70/1061107670.db2.gz OUBHNHKMJBNBNL-UHFFFAOYSA-N -1 3 323.577 4.351 20 0 DIADHM Cc1cc2nc(-c3cccc([O-])c3Br)[nH]c2c(C)c1 ZINC001250880575 1061107765 /nfs/dbraw/zinc/10/77/65/1061107765.db2.gz NGVRZDKVHPNXQA-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccsc3[C@@H]2C)c([O-])c1 ZINC001455294367 1061219234 /nfs/dbraw/zinc/21/92/34/1061219234.db2.gz UXTSYYJPMXJSSW-LBPRGKRZSA-N -1 3 315.438 4.337 20 0 DIADHM CC[C@@](C)(NCc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001462513808 1061221483 /nfs/dbraw/zinc/22/14/83/1061221483.db2.gz ZQVJIFGOFMRFGS-QGZVFWFLSA-N -1 3 309.331 4.225 20 0 DIADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001546074441 1061231436 /nfs/dbraw/zinc/23/14/36/1061231436.db2.gz QSVHHIJXNVNRIA-HNNXBMFYSA-N -1 3 319.401 4.134 20 0 DIADHM C[C@H]1CC[C@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001455839724 1061236973 /nfs/dbraw/zinc/23/69/73/1061236973.db2.gz WFPROPIWGLQZSQ-YJBOKZPZSA-N -1 3 323.436 4.096 20 0 DIADHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc(SC(F)(F)F)c1 ZINC001455913660 1061241663 /nfs/dbraw/zinc/24/16/63/1061241663.db2.gz BWZSPGQJIXOWFL-ZETCQYMHSA-N -1 3 313.291 4.131 20 0 DIADHM Cc1cccc2[n-]c(-c3c(Cl)c4ccccc4n(C)c3=O)nc21 ZINC001251169055 1061258777 /nfs/dbraw/zinc/25/87/77/1061258777.db2.gz XCNHSYFYSJFHKT-UHFFFAOYSA-N -1 3 323.783 4.044 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC001456087720 1061266784 /nfs/dbraw/zinc/26/67/84/1061266784.db2.gz XAABGFBNSRJBKF-CRAIPNDOSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cc2[nH]c(-c3cc([O-])cc(Br)c3)nc2cc1F ZINC001251244458 1061286973 /nfs/dbraw/zinc/28/69/73/1061286973.db2.gz GKZTVRBCBPNWIV-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM [O-]c1ccc(F)c(F)c1-c1nc2ccc(-c3ccncc3)cc2[nH]1 ZINC001251322398 1061312469 /nfs/dbraw/zinc/31/24/69/1061312469.db2.gz SDFSWVHWMWQERZ-UHFFFAOYSA-N -1 3 323.302 4.276 20 0 DIADHM Cc1cc(F)cc2nc(-c3ccc(C(F)(F)F)cc3[O-])[nH]c21 ZINC001251349943 1061329915 /nfs/dbraw/zinc/32/99/15/1061329915.db2.gz ZWRGDZGYMKBOME-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM [O-]c1cc(-c2nc3cc(-c4ccncc4)ccc3[nH]2)ccc1F ZINC001251476895 1061372269 /nfs/dbraw/zinc/37/22/69/1061372269.db2.gz DFPYMIOBTBSVHX-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)ccc1F ZINC001251476895 1061372287 /nfs/dbraw/zinc/37/22/87/1061372287.db2.gz DFPYMIOBTBSVHX-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM COc1ccc(-c2nc3c(cc(F)cc3C)[nH]2)c([O-])c1Cl ZINC001251491445 1061377127 /nfs/dbraw/zinc/37/71/27/1061377127.db2.gz WJJOPQLIWYWQFU-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(SC)ccc3[nH]2)c(Cl)c1 ZINC001251491423 1061378278 /nfs/dbraw/zinc/37/82/78/1061378278.db2.gz VIRDQTFUEYITKQ-UHFFFAOYSA-N -1 3 320.801 4.319 20 0 DIADHM COc1cc([O-])c(-c2nc3ccc(SC)cc3[nH]2)c(Cl)c1 ZINC001251491423 1061378295 /nfs/dbraw/zinc/37/82/95/1061378295.db2.gz VIRDQTFUEYITKQ-UHFFFAOYSA-N -1 3 320.801 4.319 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1csc2ccccc21 ZINC001456949434 1061389341 /nfs/dbraw/zinc/38/93/41/1061389341.db2.gz GFZKCQBOJCZTHH-LBPRGKRZSA-N -1 3 311.406 4.406 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1csc2ccccc21 ZINC001456949433 1061390508 /nfs/dbraw/zinc/39/05/08/1061390508.db2.gz GFZKCQBOJCZTHH-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM [O-]c1c(F)cc(Cl)cc1-c1nc2c([nH]1)c(F)c(F)cc2F ZINC001251634305 1061427078 /nfs/dbraw/zinc/42/70/78/1061427078.db2.gz AJXBRANPWQEWAZ-UHFFFAOYSA-N -1 3 316.641 4.145 20 0 DIADHM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001463295064 1061456279 /nfs/dbraw/zinc/45/62/79/1061456279.db2.gz MRTAPHSOOCFSOI-LLVKDONJSA-N -1 3 323.911 4.286 20 0 DIADHM Cc1cc([O-])c(-c2nc3ccccc3[nH]2)cc1Br ZINC001251644271 1061430192 /nfs/dbraw/zinc/43/01/92/1061430192.db2.gz DPHHIRVKUNJMRY-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM [O-]c1c(F)cc(-c2nc3ccc4ncccc4c3[nH]2)cc1Cl ZINC001251692579 1061442706 /nfs/dbraw/zinc/44/27/06/1061442706.db2.gz KNZNGYSMSIRMNB-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(-c3ccccc3)ns2)c1[O-] ZINC001457671627 1061482030 /nfs/dbraw/zinc/48/20/30/1061482030.db2.gz QBWJHEKMKWXZLZ-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cn1c2ccc(F)cc2nc1-c1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001251812692 1061497374 /nfs/dbraw/zinc/49/73/74/1061497374.db2.gz XTPXOPWWPAXAOZ-UHFFFAOYSA-N -1 3 324.355 4.269 20 0 DIADHM CC(=CC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1)C(C)(C)C ZINC001457781102 1061501781 /nfs/dbraw/zinc/50/17/81/1061501781.db2.gz RRYIKFKTCIOYIG-LUAWRHEFSA-N -1 3 324.384 4.149 20 0 DIADHM C/C(=C/C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(C)(C)C ZINC001457781102 1061501796 /nfs/dbraw/zinc/50/17/96/1061501796.db2.gz RRYIKFKTCIOYIG-LUAWRHEFSA-N -1 3 324.384 4.149 20 0 DIADHM CCCc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001463856974 1061527393 /nfs/dbraw/zinc/52/73/93/1061527393.db2.gz NGIYKQMAIQHPKV-UHFFFAOYSA-N -1 3 309.409 4.476 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1[O-] ZINC001463881386 1061529637 /nfs/dbraw/zinc/52/96/37/1061529637.db2.gz BXHBEPVUZQJUGA-SFHVURJKSA-N -1 3 309.409 4.144 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)c([O-])c1 ZINC001463971519 1061539221 /nfs/dbraw/zinc/53/92/21/1061539221.db2.gz QLRGQQOTAJOKGO-SFHVURJKSA-N -1 3 309.409 4.275 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccccc2C)C2CC2)c1[O-] ZINC001464058431 1061548174 /nfs/dbraw/zinc/54/81/74/1061548174.db2.gz QBHOIKMJCORFNI-UHFFFAOYSA-N -1 3 309.409 4.068 20 0 DIADHM COc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3[O-])o2)cc1 ZINC001252028682 1061559041 /nfs/dbraw/zinc/55/90/41/1061559041.db2.gz GOAXVTVPSBKDFK-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM CCOc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1Cl ZINC001464280501 1061570750 /nfs/dbraw/zinc/57/07/50/1061570750.db2.gz MIYDPGUDXPLEGT-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC001464443130 1061593858 /nfs/dbraw/zinc/59/38/58/1061593858.db2.gz OYYZSTNJDCKNTE-UHFFFAOYSA-N -1 3 316.426 4.068 20 0 DIADHM CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCCC1 ZINC001464479965 1061600164 /nfs/dbraw/zinc/60/01/64/1061600164.db2.gz YCUPNHSHXJSUDD-UHFFFAOYSA-N -1 3 323.436 4.240 20 0 DIADHM [O-]c1cc2c(O)cccc2cc1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252170778 1061603438 /nfs/dbraw/zinc/60/34/38/1061603438.db2.gz QXHRCMHXOMFTQK-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c([O-])c1 ZINC001464747118 1061628404 /nfs/dbraw/zinc/62/84/04/1061628404.db2.gz NJTHATMBOGRHRT-GOSISDBHSA-N -1 3 323.436 4.365 20 0 DIADHM C[C@H]1CCC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464987657 1061659648 /nfs/dbraw/zinc/65/96/48/1061659648.db2.gz UHBDLKWWHONADW-GUYCJALGSA-N -1 3 311.381 4.103 20 0 DIADHM CCOc1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1[O-] ZINC001252787646 1061719519 /nfs/dbraw/zinc/71/95/19/1061719519.db2.gz PHMHFHKVZNNFEH-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM C[C@@](O)(CNc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC001253108432 1061808455 /nfs/dbraw/zinc/80/84/55/1061808455.db2.gz CVWXXSDJCDOKKF-OAHLLOKOSA-N -1 3 312.196 4.019 20 0 DIADHM Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001465873732 1061827983 /nfs/dbraw/zinc/82/79/83/1061827983.db2.gz JXWMMRCYEYDNPL-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCc1cccc(C(=O)Nc2cnc(-c3ccccc3)s2)c1[O-] ZINC001466079449 1061870859 /nfs/dbraw/zinc/87/08/59/1061870859.db2.gz JZWDHLKOEQOJBE-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cc1ccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c([O-])c1 ZINC001466500445 1061952857 /nfs/dbraw/zinc/95/28/57/1061952857.db2.gz PPQYAYFLNCZQRB-GOSISDBHSA-N -1 3 309.409 4.362 20 0 DIADHM CCCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466542372 1061960016 /nfs/dbraw/zinc/96/00/16/1061960016.db2.gz RVPNKPUDRXIUQO-CYBMUJFWSA-N -1 3 321.417 4.114 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)c2cccnc12 ZINC001253745891 1061972885 /nfs/dbraw/zinc/97/28/85/1061972885.db2.gz MQZFNYIMVIUWMT-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC001466630914 1061976179 /nfs/dbraw/zinc/97/61/79/1061976179.db2.gz DISQWGVDDZCPLA-XCGBKTJRSA-N -1 3 305.393 4.488 20 0 DIADHM CC(C)(C)Cc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001466630902 1061978227 /nfs/dbraw/zinc/97/82/27/1061978227.db2.gz CYVLDXSNLQUZMA-UHFFFAOYSA-N -1 3 301.361 4.372 20 0 DIADHM CC(C)N(Cc1ccc(F)cc1)Cc1ccc([O-])c(F)c1F ZINC001474362970 1061993931 /nfs/dbraw/zinc/99/39/31/1061993931.db2.gz VIJDSVLUKRINKA-UHFFFAOYSA-N -1 3 309.331 4.220 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nnc(-c2cccc(F)c2)o1 ZINC001254149749 1062034363 /nfs/dbraw/zinc/03/43/63/1062034363.db2.gz FJWOSZYPWFPSKJ-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3cccc(F)c3)o2)c(C(F)(F)F)c1 ZINC001254212271 1062050965 /nfs/dbraw/zinc/05/09/65/1062050965.db2.gz FNIBLNUSKNJOPO-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1cc(=O)[n-]c(CSC2CCC(c3ccccc3)CC2)n1 ZINC001459246082 1062051817 /nfs/dbraw/zinc/05/18/17/1062051817.db2.gz ZPSWKRGYRATIIR-UHFFFAOYSA-N -1 3 314.454 4.450 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(Cc3ccc(Cl)cc3)o2)c1 ZINC001254313766 1062076417 /nfs/dbraw/zinc/07/64/17/1062076417.db2.gz ZDIHAFZGVSLJKQ-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)n1 ZINC001467591987 1062149464 /nfs/dbraw/zinc/14/94/64/1062149464.db2.gz FVSXRCPGFOTVPK-UHFFFAOYSA-N -1 3 323.396 4.127 20 0 DIADHM CCOc1cccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c1[O-] ZINC001254699749 1062235975 /nfs/dbraw/zinc/23/59/75/1062235975.db2.gz ZXMKQGRJDHLHMI-LSDHHAIUSA-N -1 3 322.364 4.112 20 0 DIADHM Cc1c([O-])cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1F ZINC001254697934 1062236048 /nfs/dbraw/zinc/23/60/48/1062236048.db2.gz QDBZMBWMVRXKAJ-KGLIPLIRSA-N -1 3 310.328 4.161 20 0 DIADHM CC(C)(C)Cc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001468457276 1062329232 /nfs/dbraw/zinc/32/92/32/1062329232.db2.gz LXXKKCIXIBXRNP-UHFFFAOYSA-N -1 3 324.833 4.343 20 0 DIADHM Cc1cc(Cl)ccc1-c1nnc(Cc2ccc([O-])cc2F)o1 ZINC001255299934 1062382167 /nfs/dbraw/zinc/38/21/67/1062382167.db2.gz PHFJQLAFRHTTPA-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1cc([O-])c(-c2nnc(-c3ccc(Cl)cc3C)o2)c(O)c1 ZINC001255346711 1062411254 /nfs/dbraw/zinc/41/12/54/1062411254.db2.gz JXPMTDINALQFEL-UHFFFAOYSA-N -1 3 316.744 4.085 20 0 DIADHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001475487310 1062511115 /nfs/dbraw/zinc/51/11/15/1062511115.db2.gz LHRNPFGTEZXFMV-VIFPVBQESA-N -1 3 324.273 4.096 20 0 DIADHM O=C(NC1(c2ccccc2Cl)CC1)c1cc([O-])ccc1Cl ZINC001469336153 1062531456 /nfs/dbraw/zinc/53/14/56/1062531456.db2.gz RQSQEWBOPLOJJM-UHFFFAOYSA-N -1 3 322.191 4.118 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC001469735239 1062614290 /nfs/dbraw/zinc/61/42/90/1062614290.db2.gz XUOYCXWKESROEA-SEVFCGSRSA-N -1 3 315.457 4.460 20 0 DIADHM CC[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)c1ccc(C)cc1 ZINC001469937869 1062663673 /nfs/dbraw/zinc/66/36/73/1062663673.db2.gz QDBCIEOJXWAZFO-AWEZNQCLSA-N -1 3 301.361 4.128 20 0 DIADHM O=C(Nc1ccc(O)cc1Cl)c1cc([O-])c2ccccc2c1 ZINC001470055097 1062693717 /nfs/dbraw/zinc/69/37/17/1062693717.db2.gz RJTZPILWHOVISG-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC001470098213 1062703949 /nfs/dbraw/zinc/70/39/49/1062703949.db2.gz DXLYGRPZHFPZHM-INIZCTEOSA-N -1 3 319.470 4.347 20 0 DIADHM CCC1(CC)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001470115560 1062705358 /nfs/dbraw/zinc/70/53/58/1062705358.db2.gz AALZEDYRJRFQIU-UHFFFAOYSA-N -1 3 321.436 4.283 20 0 DIADHM COc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1C ZINC001470124610 1062707434 /nfs/dbraw/zinc/70/74/34/1062707434.db2.gz SWGDVCHQILZRQC-UHFFFAOYSA-N -1 3 313.378 4.176 20 0 DIADHM CCC(=O)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001470120996 1062709386 /nfs/dbraw/zinc/70/93/86/1062709386.db2.gz CDOIPPDPRWQVIA-UHFFFAOYSA-N -1 3 319.360 4.390 20 0 DIADHM CCCCCc1nnc(-c2ccc([O-])cc2C(F)(F)F)o1 ZINC001256144318 1062727940 /nfs/dbraw/zinc/72/79/40/1062727940.db2.gz FLDBIYGUYFYBNA-UHFFFAOYSA-N -1 3 300.280 4.194 20 0 DIADHM O=C([N-]OCC1CCC1)C1(Cc2cccs2)CCCCC1 ZINC001470289143 1062743948 /nfs/dbraw/zinc/74/39/48/1062743948.db2.gz FGHLRLRKCHYJHB-UHFFFAOYSA-N -1 3 307.459 4.089 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC(C2CCC2)C2CCC2)c1 ZINC001470453946 1062785096 /nfs/dbraw/zinc/78/50/96/1062785096.db2.gz UYKQTGXZKTYMCT-UHFFFAOYSA-N -1 3 319.470 4.060 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])ccc3Cl)o2)cc1C ZINC001256530603 1062857335 /nfs/dbraw/zinc/85/73/35/1062857335.db2.gz CYFUCNRCBOZSQT-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1cc2cc(Cl)ccc2s1 ZINC001460583985 1062922386 /nfs/dbraw/zinc/92/23/86/1062922386.db2.gz KDIVTTILVJWZBK-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM O=C(Nc1cncc(C(F)F)c1)c1cc2sccc2c([O-])c1 ZINC001471324024 1062962858 /nfs/dbraw/zinc/96/28/58/1062962858.db2.gz GMXAXZGOOKSMOF-UHFFFAOYSA-N -1 3 320.320 4.192 20 0 DIADHM CC(C)c1oncc1[N-]C(=O)c1cc(Cl)cc(Cl)c1F ZINC001471850878 1063026205 /nfs/dbraw/zinc/02/62/05/1063026205.db2.gz WMUKZTLHMGFGEG-UHFFFAOYSA-N -1 3 317.147 4.496 20 0 DIADHM Cc1ccc(CN(CCCC(C)C)C(=O)c2ccccc2[O-])o1 ZINC001471885418 1063029936 /nfs/dbraw/zinc/02/99/36/1063029936.db2.gz GPRLAXVSHSHRON-UHFFFAOYSA-N -1 3 315.413 4.372 20 0 DIADHM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccccc1[O-] ZINC001471996901 1063040033 /nfs/dbraw/zinc/04/00/33/1063040033.db2.gz FEQOVIYMZCQVNT-UHFFFAOYSA-N -1 3 315.413 4.353 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)Cc2c(C)cccc2C)c1 ZINC001472143201 1063052226 /nfs/dbraw/zinc/05/22/26/1063052226.db2.gz MOXATFOFVVNDNH-UHFFFAOYSA-N -1 3 315.438 4.003 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(COC(C)(C)C)c2)c1[O-] ZINC001472170410 1063055238 /nfs/dbraw/zinc/05/52/38/1063055238.db2.gz PUTOOAIYDPJCKO-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM COc1ccc(C(=O)N[C@H](C)c2cccc3ccccc32)c([O-])c1 ZINC001472280645 1063068625 /nfs/dbraw/zinc/06/86/25/1063068625.db2.gz IQZVKRUXUSJEDG-CYBMUJFWSA-N -1 3 321.376 4.045 20 0 DIADHM CCCCCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001472526991 1063098766 /nfs/dbraw/zinc/09/87/66/1063098766.db2.gz XJKUIMVPGFMXHS-LBPRGKRZSA-N -1 3 318.421 4.308 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(Cc3ccc([O-])cc3F)o2)cc1 ZINC001257255484 1063162725 /nfs/dbraw/zinc/16/27/25/1063162725.db2.gz GCJGVTWSATXCJM-HZPDHXFCSA-N -1 3 324.355 4.085 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3c(C)cc(O)cc3[O-])o2)cc1 ZINC001257334581 1063217875 /nfs/dbraw/zinc/21/78/75/1063217875.db2.gz NHAKYORQWXRBIV-LSDHHAIUSA-N -1 3 322.364 4.036 20 0 DIADHM Clc1cc(-c2nnc([C@@H]3C[C@H]3c3ccc(Cl)cc3)o2)[n-]n1 ZINC001257703525 1063374771 /nfs/dbraw/zinc/37/47/71/1063374771.db2.gz WDPZZQRXBHIKIV-VHSXEESVSA-N -1 3 321.167 4.038 20 0 DIADHM Clc1cc(-c2nnc([C@H]3C[C@H]3c3ccc(Cl)cc3)o2)[n-]n1 ZINC001257703523 1063375007 /nfs/dbraw/zinc/37/50/07/1063375007.db2.gz WDPZZQRXBHIKIV-UWVGGRQHSA-N -1 3 321.167 4.038 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(SC)c2C)c([O-])c1 ZINC001546251606 1063454162 /nfs/dbraw/zinc/45/41/62/1063454162.db2.gz FDJIWLNRIAWEMV-UHFFFAOYSA-N -1 3 301.411 4.237 20 0 DIADHM CC(C)CCc1nnc(-c2ccc([O-])cc2C(F)(F)F)o1 ZINC001258362328 1063625019 /nfs/dbraw/zinc/62/50/19/1063625019.db2.gz FOIMUURKUVDUGN-UHFFFAOYSA-N -1 3 300.280 4.050 20 0 DIADHM O=C([N-][C@@H](c1ccccc1)C1CCCCC1)C(F)(F)C(F)F ZINC001515234361 1063659514 /nfs/dbraw/zinc/65/95/14/1063659514.db2.gz NDPKYAFCNLRLJJ-ZDUSSCGKSA-N -1 3 317.326 4.325 20 0 DIADHM CC(C)c1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC001461859632 1063754218 /nfs/dbraw/zinc/75/42/18/1063754218.db2.gz ZXMRDZIBLYKMHV-UHFFFAOYSA-N -1 3 305.368 4.426 20 0 DIADHM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001259101450 1063883283 /nfs/dbraw/zinc/88/32/83/1063883283.db2.gz FAPORTBLAVYTKY-UHFFFAOYSA-N -1 3 323.845 4.320 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1C ZINC001259167793 1063884085 /nfs/dbraw/zinc/88/40/85/1063884085.db2.gz IDTKGPJLLNXLSL-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC001259524494 1063889648 /nfs/dbraw/zinc/88/96/48/1063889648.db2.gz UZGHKDKLERADET-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)c1C ZINC001260998376 1063909001 /nfs/dbraw/zinc/90/90/01/1063909001.db2.gz HNYCXIWOVJNTAQ-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM Cc1cc(C(=O)Nc2c([O-])cccc2Cl)c(C)n1C1CC1 ZINC001261549686 1063930439 /nfs/dbraw/zinc/93/04/39/1063930439.db2.gz AXXONKXTHACCSQ-UHFFFAOYSA-N -1 3 304.777 4.051 20 0 DIADHM O=C(Oc1ccc(Cl)cc1F)c1cccc(Cl)c1[O-] ZINC001264076052 1064014750 /nfs/dbraw/zinc/01/47/50/1064014750.db2.gz QRYNRUQSWKAOEG-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM Cc1cccc2[nH]c(-c3cc([O-])cc(Br)c3)nc21 ZINC000700859500 1064228510 /nfs/dbraw/zinc/22/85/10/1064228510.db2.gz YPIMMYTXCKPFNW-UHFFFAOYSA-N -1 3 303.159 4.006 20 0 DIADHM O=C(OCc1c(F)cccc1Cl)c1cccc(Cl)c1[O-] ZINC001287862786 1064497287 /nfs/dbraw/zinc/49/72/87/1064497287.db2.gz QQBPUYKKPBGSHW-UHFFFAOYSA-N -1 3 315.127 4.195 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001290457894 1064695096 /nfs/dbraw/zinc/69/50/96/1064695096.db2.gz ICRCXRQCZGVSMC-SFHVURJKSA-N -1 3 309.409 4.493 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cc1 ZINC001290642720 1064703186 /nfs/dbraw/zinc/70/31/86/1064703186.db2.gz WVHLSXMSOPBNPN-QGZVFWFLSA-N -1 3 315.800 4.331 20 0 DIADHM CC(C)CCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001290766518 1064712429 /nfs/dbraw/zinc/71/24/29/1064712429.db2.gz ZPLCFCVSUQLKRU-UHFFFAOYSA-N -1 3 313.397 4.351 20 0 DIADHM CC1=CC[C@@](C)(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC001290876530 1064716550 /nfs/dbraw/zinc/71/65/50/1064716550.db2.gz XBCVQHWFRRVRPY-OAHLLOKOSA-N -1 3 324.218 4.230 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001292480788 1064776942 /nfs/dbraw/zinc/77/69/42/1064776942.db2.gz DRWDWYISLYKVMM-GJZGRUSLSA-N -1 3 303.446 4.283 20 0 DIADHM CCc1ccccc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001293812233 1064832096 /nfs/dbraw/zinc/83/20/96/1064832096.db2.gz BMXGWWSSQOHUKE-UHFFFAOYSA-N -1 3 311.406 4.099 20 0 DIADHM CC(C)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c([O-])c1 ZINC001294184687 1064854907 /nfs/dbraw/zinc/85/49/07/1064854907.db2.gz SPFVTPJDASLSDY-CQSZACIVSA-N -1 3 309.409 4.103 20 0 DIADHM COc1ccc(/C(C)=C\C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001295351016 1064908079 /nfs/dbraw/zinc/90/80/79/1064908079.db2.gz PFOZDACWWCAPDU-LUAWRHEFSA-N -1 3 317.772 4.096 20 0 DIADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001295515571 1064915221 /nfs/dbraw/zinc/91/52/21/1064915221.db2.gz XRNNOTCRTVWADQ-GFCCVEGCSA-N -1 3 303.427 4.115 20 0 DIADHM O=C(CCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[O-] ZINC001295972860 1064934193 /nfs/dbraw/zinc/93/41/93/1064934193.db2.gz UPVQNYKCTIEXKQ-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM O=C(C[C@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC001295971589 1064934374 /nfs/dbraw/zinc/93/43/74/1064934374.db2.gz FCRJHGHCHQWJNP-CYBMUJFWSA-N -1 3 315.800 4.494 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c([O-])c1 ZINC001296777393 1064961689 /nfs/dbraw/zinc/96/16/89/1064961689.db2.gz GJVHXPAHABZHGG-SFHVURJKSA-N -1 3 309.409 4.241 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC001296941609 1064964769 /nfs/dbraw/zinc/96/47/69/1064964769.db2.gz XRAXFHGZYSTYAZ-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccsc1 ZINC001297009507 1064966502 /nfs/dbraw/zinc/96/65/02/1064966502.db2.gz SDLJWYWSYJFFNX-SECBINFHSA-N -1 3 303.408 4.159 20 0 DIADHM CCc1cccc(C(=O)NC(C)(C)c2ccc(Cl)cc2)c1[O-] ZINC001297788412 1064988096 /nfs/dbraw/zinc/98/80/96/1064988096.db2.gz LLSHSDADGQSAIG-UHFFFAOYSA-N -1 3 317.816 4.273 20 0 DIADHM CC(C)[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)[C@H]1C(C)C ZINC001297809808 1064989419 /nfs/dbraw/zinc/98/94/19/1064989419.db2.gz LMDYJKJWTYUWBE-YOEHRIQHSA-N -1 3 317.454 4.360 20 0 DIADHM C[C@@H]1C[C@@H](CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC(C)(C)C1 ZINC001298307224 1065001846 /nfs/dbraw/zinc/00/18/46/1065001846.db2.gz YOTTZXMPQRPUEZ-NEPJUHHUSA-N -1 3 315.417 4.060 20 0 DIADHM CCCCCC[C@H](CC)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306223 1065003095 /nfs/dbraw/zinc/00/30/95/1065003095.db2.gz BPQZIDSVNFRYJJ-LBPRGKRZSA-N -1 3 303.406 4.204 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)cc2ccoc21 ZINC001298551270 1065008918 /nfs/dbraw/zinc/00/89/18/1065008918.db2.gz XWGPJCZHPDVHPP-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM CCc1cccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1[O-] ZINC001298808826 1065022216 /nfs/dbraw/zinc/02/22/16/1065022216.db2.gz BRDKLKUHRMPABT-ZDUSSCGKSA-N -1 3 315.417 4.011 20 0 DIADHM CCc1nc2ccc(NC(=O)c3c(C)cccc3[O-])cc2s1 ZINC001299888009 1065037971 /nfs/dbraw/zinc/03/79/71/1065037971.db2.gz ZIJFAVYSROVAMN-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CC[C@@H](C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001301074426 1065052693 /nfs/dbraw/zinc/05/26/93/1065052693.db2.gz XTZRCLOXGWXGRI-GFCCVEGCSA-N -1 3 301.361 4.226 20 0 DIADHM CC1(C)CCC[C@H]1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC001301279833 1065060870 /nfs/dbraw/zinc/06/08/70/1065060870.db2.gz XRGOXGRMSKBTCH-HNNXBMFYSA-N -1 3 321.436 4.187 20 0 DIADHM CCC(CC)(CNC(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC001301331961 1065062031 /nfs/dbraw/zinc/06/20/31/1065062031.db2.gz GZYNNFUTIGZLEZ-UHFFFAOYSA-N -1 3 315.388 4.019 20 0 DIADHM CN(C[C@@H]1CC1(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001301432180 1065064866 /nfs/dbraw/zinc/06/48/66/1065064866.db2.gz RSYOXIVZXAFSPI-KRWDZBQOSA-N -1 3 323.436 4.101 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@]2(C)C2CCCCC2)c1[O-] ZINC001302916606 1065101517 /nfs/dbraw/zinc/10/15/17/1065101517.db2.gz PXDKICKKIUXFBD-LJQANCHMSA-N -1 3 301.430 4.140 20 0 DIADHM CC1(C)CCN(C(=O)c2ccccc2[O-])C[C@@H]1c1ccccc1 ZINC001304186263 1065131658 /nfs/dbraw/zinc/13/16/58/1065131658.db2.gz ZCTAJDFCOPMTQD-QGZVFWFLSA-N -1 3 309.409 4.048 20 0 DIADHM CC(C)(CC(=O)[N-]OCCOc1ccccc1)C1CCCCC1 ZINC001305277709 1065153816 /nfs/dbraw/zinc/15/38/16/1065153816.db2.gz ISMAAJVHZLKPHA-UHFFFAOYSA-N -1 3 319.445 4.110 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@@H](C)C[C@H](C)CC)c([O-])c1 ZINC001306653055 1065187967 /nfs/dbraw/zinc/18/79/67/1065187967.db2.gz XXVDNFYRTDHHBT-KGLIPLIRSA-N -1 3 307.434 4.126 20 0 DIADHM O=c1ccn(-c2ccc(NCc3cccc4ccccc43)cc2)[n-]1 ZINC001308484790 1066022244 /nfs/dbraw/zinc/02/22/44/1066022244.db2.gz YHFSATNWQWMAIG-UHFFFAOYSA-N -1 3 315.376 4.343 20 0 DIADHM C[C@H]1CCc2ccccc2[C@H]1NCc1ccc([O-])c(F)c1F ZINC001308640799 1066132552 /nfs/dbraw/zinc/13/25/52/1066132552.db2.gz YEXPXVLZLQLMJG-VOJFVSQTSA-N -1 3 303.352 4.084 20 0 DIADHM CC(C)Oc1c(F)cc(NCc2ccc([O-])c(F)c2)cc1F ZINC001308684807 1066155025 /nfs/dbraw/zinc/15/50/25/1066155025.db2.gz UWGXRJNOMXCBDB-UHFFFAOYSA-N -1 3 311.303 4.209 20 0 DIADHM CC(C)[C@H](NCc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001308722361 1066199185 /nfs/dbraw/zinc/19/91/85/1066199185.db2.gz IDTNVFMAYDMGQT-KRWDZBQOSA-N -1 3 309.331 4.296 20 0 DIADHM Cc1nnc([N-]C(=O)c2c(Cl)ccc(Cl)c2Cl)s1 ZINC000005756540 181280881 /nfs/dbraw/zinc/28/08/81/181280881.db2.gz CVLPFCXSCPMDER-UHFFFAOYSA-N -1 3 322.604 4.059 20 0 DIADHM Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000006454113 181342000 /nfs/dbraw/zinc/34/20/00/181342000.db2.gz HEKYLHIXXUWHMM-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417592389 335000098 /nfs/dbraw/zinc/00/00/98/335000098.db2.gz UGELELMTKGOTRX-SECBINFHSA-N -1 3 324.273 4.424 20 0 DIADHM Cc1cc(Cl)cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417598984 335002868 /nfs/dbraw/zinc/00/28/68/335002868.db2.gz GVHKURBUCGPOJL-KRWDZBQOSA-N -1 3 317.816 4.344 20 0 DIADHM Cc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1Cl ZINC000417605268 335005809 /nfs/dbraw/zinc/00/58/09/335005809.db2.gz XJEJYFSRYLTKHN-QGZVFWFLSA-N -1 3 317.816 4.344 20 0 DIADHM CC(C)c1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000417617460 335009608 /nfs/dbraw/zinc/00/96/08/335009608.db2.gz IIHYJTLPLKASPK-MOPGFXCFSA-N -1 3 309.409 4.213 20 0 DIADHM Cc1cc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC000417638155 335021951 /nfs/dbraw/zinc/02/19/51/335021951.db2.gz ZVKUVTNMFQPZIC-NVXWUHKLSA-N -1 3 315.800 4.051 20 0 DIADHM O=c1nc([C@H]2CCCCS2)[n-]c2sc3c(c21)CCCS3 ZINC000273324981 130106344 /nfs/dbraw/zinc/10/63/44/130106344.db2.gz HJMJASPMGADPTN-SECBINFHSA-N -1 3 324.496 4.393 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cn3cc(C)ccc3n2)CC)n1 ZINC000284069942 131045801 /nfs/dbraw/zinc/04/58/01/131045801.db2.gz KAPZZDCQYOZMPE-ZROIWOOFSA-N -1 3 322.412 4.041 20 0 DIADHM CSCc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000340287510 131330413 /nfs/dbraw/zinc/33/04/13/131330413.db2.gz SGBBUPQUYHYHON-UHFFFAOYSA-N -1 3 323.421 4.192 20 0 DIADHM CC(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000340318520 131390100 /nfs/dbraw/zinc/39/01/00/131390100.db2.gz CNTLIXBZWQRIFR-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM CCOc1cc(CNC2(c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000298420006 132061713 /nfs/dbraw/zinc/06/17/13/132061713.db2.gz MMANSJIIGQFGMW-UHFFFAOYSA-N -1 3 317.816 4.223 20 0 DIADHM CCC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000298789520 132077278 /nfs/dbraw/zinc/07/72/78/132077278.db2.gz DHXCPHXJSZYBDD-ZDUSSCGKSA-N -1 3 313.426 4.028 20 0 DIADHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(CCC(C)C)cc2)on1 ZINC000520140131 335083816 /nfs/dbraw/zinc/08/38/16/335083816.db2.gz BBUHSHBPGHDOLE-CQSZACIVSA-N -1 3 315.417 4.011 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000063240214 331504760 /nfs/dbraw/zinc/50/47/60/331504760.db2.gz WPCMHCLMTWKJRZ-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000179555986 331527413 /nfs/dbraw/zinc/52/74/13/331527413.db2.gz MUZAPYGYJIAYNF-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C)cc3[O-])c2c1 ZINC000530586469 331609527 /nfs/dbraw/zinc/60/95/27/331609527.db2.gz NVEJIBQMMNPASS-UHFFFAOYSA-N -1 3 308.381 4.062 20 0 DIADHM CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000556423490 331702691 /nfs/dbraw/zinc/70/26/91/331702691.db2.gz KGSVXEMOOWTIFR-NVXWUHKLSA-N -1 3 324.380 4.268 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@H]2CCCc3ccccc32)c1[O-] ZINC000556891486 331749416 /nfs/dbraw/zinc/74/94/16/331749416.db2.gz BAGKQYGLFATGIM-OAHLLOKOSA-N -1 3 323.392 4.044 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@H](C)c2ccccc2C)c1[O-] ZINC000556892510 331750535 /nfs/dbraw/zinc/75/05/35/331750535.db2.gz KLWHMNNKKDETRR-ZDUSSCGKSA-N -1 3 311.381 4.036 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2cc(F)c(F)c(F)c2)on1 ZINC000525498963 331760576 /nfs/dbraw/zinc/76/05/76/331760576.db2.gz RYJWXBXRRYBSHO-UHFFFAOYSA-N -1 3 312.291 4.248 20 0 DIADHM Cc1ccc(-c2noc(-c3cc([O-])ccc3C(F)(F)F)n2)o1 ZINC000558367597 331899603 /nfs/dbraw/zinc/89/96/03/331899603.db2.gz IUQRPOJYXOINPY-UHFFFAOYSA-N -1 3 310.231 4.029 20 0 DIADHM Cc1ccccc1C(NCc1ncccc1[O-])c1ccccc1C ZINC000558405968 331902923 /nfs/dbraw/zinc/90/29/23/331902923.db2.gz BWUZLEHVMNGDBU-UHFFFAOYSA-N -1 3 318.420 4.283 20 0 DIADHM Cc1cc(=O)[n-]c(C=Cc2cnc(C3CCCCC3)s2)n1 ZINC000558451462 331908505 /nfs/dbraw/zinc/90/85/05/331908505.db2.gz NSRLGCAEHMBYHZ-FPLPWBNLSA-N -1 3 301.415 4.165 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000518613338 332095686 /nfs/dbraw/zinc/09/56/86/332095686.db2.gz ZBDBXCXFBNICMM-DLBZAZTESA-N -1 3 303.361 4.288 20 0 DIADHM CCCOc1ccc(Cl)cc1NCc1nc(C)ccc1[O-] ZINC000091994692 332099626 /nfs/dbraw/zinc/09/96/26/332099626.db2.gz ROKDFIKOFMTGAO-UHFFFAOYSA-N -1 3 306.793 4.150 20 0 DIADHM COc1ccc(C)cc1[C@H](C)NCc1cccc([O-])c1Cl ZINC000294047950 332146200 /nfs/dbraw/zinc/14/62/00/332146200.db2.gz JELMYIFKOIZPFV-LBPRGKRZSA-N -1 3 305.805 4.213 20 0 DIADHM COc1ccc(C)cc1[C@@H](C)NCc1cccc([O-])c1Cl ZINC000294047940 332146273 /nfs/dbraw/zinc/14/62/73/332146273.db2.gz JELMYIFKOIZPFV-GFCCVEGCSA-N -1 3 305.805 4.213 20 0 DIADHM CC(C)(C)C(=O)c1ccsc1[N-]C(=O)c1sccc1F ZINC000410487241 332148271 /nfs/dbraw/zinc/14/82/71/332148271.db2.gz ZUUQWQABYWPBKQ-UHFFFAOYSA-N -1 3 311.403 4.430 20 0 DIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000426805393 332155575 /nfs/dbraw/zinc/15/55/75/332155575.db2.gz BATOSMIWIAAIEK-LJQANCHMSA-N -1 3 311.425 4.424 20 0 DIADHM Cc1cc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])ccc1Cl ZINC000426828412 332155991 /nfs/dbraw/zinc/15/59/91/332155991.db2.gz YWYLMUGDZHJUKC-HNNXBMFYSA-N -1 3 324.207 4.217 20 0 DIADHM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(F)cc2)cc1 ZINC000426815085 332156953 /nfs/dbraw/zinc/15/69/53/332156953.db2.gz CTFJLLXKJVNFEW-SFHVURJKSA-N -1 3 315.388 4.255 20 0 DIADHM CCC[C@H](C)C[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426814290 332157149 /nfs/dbraw/zinc/15/71/49/332157149.db2.gz DWZIGXKXDFGKJY-IINYFYTJSA-N -1 3 318.244 4.363 20 0 DIADHM CCC[C@@H](C)C[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426817606 332157341 /nfs/dbraw/zinc/15/73/41/332157341.db2.gz CGKYFACDKOKPHL-YGRLFVJLSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1ccc(F)c(CN[C@@H](CC(=O)[O-])c2cccc(C)c2C)c1 ZINC000426823225 332157859 /nfs/dbraw/zinc/15/78/59/332157859.db2.gz IISVGYAGGOTDMI-SFHVURJKSA-N -1 3 315.388 4.057 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000096659769 332208920 /nfs/dbraw/zinc/20/89/20/332208920.db2.gz RRLPGOFDSXUZTM-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1ccccc1[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccsc1 ZINC000564660223 332261213 /nfs/dbraw/zinc/26/12/13/332261213.db2.gz CSTHRBOBAOXKMI-HZPDHXFCSA-N -1 3 301.411 4.019 20 0 DIADHM Cc1nc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000559756379 332279979 /nfs/dbraw/zinc/27/99/79/332279979.db2.gz WGZLXEAHZQHJAM-UHFFFAOYSA-N -1 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ZINC000531134563 332621867 /nfs/dbraw/zinc/62/18/67/332621867.db2.gz ATYAHYKHQUZXKJ-UHFFFAOYSA-N -1 3 324.355 4.144 20 0 DIADHM O=C(c1ccc2ccccc2c1)N1CCCc2cccc([O-])c21 ZINC000170872994 332638396 /nfs/dbraw/zinc/63/83/96/332638396.db2.gz DZDNZRQJBIJZMZ-UHFFFAOYSA-N -1 3 303.361 4.138 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)CC2(C(F)(F)F)CC2)c([O-])c1 ZINC000570069450 332708469 /nfs/dbraw/zinc/70/84/69/332708469.db2.gz QPJHCANZKFLXLQ-UHFFFAOYSA-N -1 3 315.335 4.361 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000314067666 333085477 /nfs/dbraw/zinc/08/54/77/333085477.db2.gz SGKIQVXSDXGQIV-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460443437 333088079 /nfs/dbraw/zinc/08/80/79/333088079.db2.gz AZELNKYWUWNPDO-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc(F)c(Cl)c1F ZINC000181954227 333147208 /nfs/dbraw/zinc/14/72/08/333147208.db2.gz UPDDQXPXVOSGDZ-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM CCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1CC ZINC000497780919 333290513 /nfs/dbraw/zinc/29/05/13/333290513.db2.gz ILNOROHLDTUMNS-UHFFFAOYSA-N -1 3 303.789 4.423 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1csc2ccccc12 ZINC000497961189 333314736 /nfs/dbraw/zinc/31/47/36/333314736.db2.gz UHFUAELQOGEAKT-UHFFFAOYSA-N -1 3 317.797 4.442 20 0 DIADHM CC(C)(C)Cc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000498026257 333322377 /nfs/dbraw/zinc/32/23/77/333322377.db2.gz PHPHEYHZFNYACT-UHFFFAOYSA-N -1 3 324.833 4.343 20 0 DIADHM CC(C)Oc1cccc([C@@H](C)NCc2cc([O-])cc(F)c2)c1 ZINC000184137359 333342449 /nfs/dbraw/zinc/34/24/49/333342449.db2.gz ZAGQEOIPHROBSO-CYBMUJFWSA-N -1 3 303.377 4.169 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(Br)cc1 ZINC000184141413 333342513 /nfs/dbraw/zinc/34/25/13/333342513.db2.gz HEILFABSNOCWHG-SNVBAGLBSA-N -1 3 324.193 4.145 20 0 DIADHM CS[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000531351392 333345628 /nfs/dbraw/zinc/34/56/28/333345628.db2.gz PJLAPUAPLAMOSO-HNNXBMFYSA-N -1 3 321.829 4.397 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311.259 4.134 20 0 DIADHM O=C([O-])C[C@@H](NCc1csc2ccccc12)c1ccsc1 ZINC000426682510 333521026 /nfs/dbraw/zinc/52/10/26/333521026.db2.gz JIBZUUGGSJDKRJ-CQSZACIVSA-N -1 3 317.435 4.268 20 0 DIADHM Cc1ccc([O-])c(CNC2(c3c(Cl)cccc3Cl)CC2)n1 ZINC000531848883 333576771 /nfs/dbraw/zinc/57/67/71/333576771.db2.gz SOXLBGJJMVZZRN-UHFFFAOYSA-N -1 3 323.223 4.181 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)n(C(C)C)n1 ZINC000410879293 333602565 /nfs/dbraw/zinc/60/25/65/333602565.db2.gz LYIHUDGKUAMJPC-UHFFFAOYSA-N -1 3 321.421 4.276 20 0 DIADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000571330655 333750677 /nfs/dbraw/zinc/75/06/77/333750677.db2.gz KFVRNOYFLWAJLS-ZDUSSCGKSA-N -1 3 322.430 4.026 20 0 DIADHM CC(=O)c1ncc(C(=O)[N-]c2ccccc2SC(C)C)s1 ZINC000413612417 333858669 /nfs/dbraw/zinc/85/86/69/333858669.db2.gz DWCUZIHNZALWID-UHFFFAOYSA-N -1 3 320.439 4.099 20 0 DIADHM CCOc1ccc(N(CC)C(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000436686294 333988309 /nfs/dbraw/zinc/98/83/09/333988309.db2.gz 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ZINC000535207723 334380606 /nfs/dbraw/zinc/38/06/06/334380606.db2.gz RLHCVBKWWGUCRM-KRWDZBQOSA-N -1 3 301.361 4.218 20 0 DIADHM O=C([N-]c1cccc2ocnc21)c1nc(-c2ccccc2)cs1 ZINC000341591241 334459528 /nfs/dbraw/zinc/45/95/28/334459528.db2.gz XADIHFZHJMGMQH-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM O=c1nc([C@@H]2CCCCS2)[n-]c2sc3c(c21)CCSC3 ZINC000342251434 334520345 /nfs/dbraw/zinc/52/03/45/334520345.db2.gz RZQJYTWHEDKNIA-VIFPVBQESA-N -1 3 324.496 4.144 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])C1(c2ccc(F)cc2)CCCC1 ZINC000535420292 334731032 /nfs/dbraw/zinc/73/10/32/334731032.db2.gz DYTHUYSFIRTIEV-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000330416292 334780033 /nfs/dbraw/zinc/78/00/33/334780033.db2.gz VEEKTBDPJFNWEZ-UKRRQHHQSA-N -1 3 319.445 4.224 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2nc(C(C)C)oc2C)c1F ZINC000343700408 335189120 /nfs/dbraw/zinc/18/91/20/335189120.db2.gz YYJDPNQMAOWQGY-UHFFFAOYSA-N -1 3 324.327 4.036 20 0 DIADHM O=C(c1cccc([O-])c1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000444513281 338474421 /nfs/dbraw/zinc/47/44/21/338474421.db2.gz YYESVLRPWGYNHY-IBGZPJMESA-N -1 3 315.372 4.185 20 0 DIADHM Cc1cc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)ccc1[O-] ZINC000344584357 335260139 /nfs/dbraw/zinc/26/01/39/335260139.db2.gz WCZGEEBTMMLPMP-GFCCVEGCSA-N -1 3 321.829 4.223 20 0 DIADHM C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000344990579 335289780 /nfs/dbraw/zinc/28/97/80/335289780.db2.gz NDRPJGMDWWDITO-CYBMUJFWSA-N -1 3 313.372 4.004 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cccc3cnccc32)c2c([O-])cccc21 ZINC000345169156 335308661 /nfs/dbraw/zinc/30/86/61/335308661.db2.gz VXSDARDLIQSRSV-CYBMUJFWSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2sccc2-c2ccccc2)n1 ZINC000345972200 335364949 /nfs/dbraw/zinc/36/49/49/335364949.db2.gz DODNYDQZSFFEQC-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC(c2ccsc2)CC1 ZINC000347337571 335487522 /nfs/dbraw/zinc/48/75/22/335487522.db2.gz CWAAZBYLUHKHTM-UHFFFAOYSA-N -1 3 321.829 4.127 20 0 DIADHM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])s1 ZINC000114668903 335815323 /nfs/dbraw/zinc/81/53/23/335815323.db2.gz WXTMDCBSZHUCNR-CQSZACIVSA-N -1 3 301.411 4.048 20 0 DIADHM CCSCCCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000445762324 338507765 /nfs/dbraw/zinc/50/77/65/338507765.db2.gz XRANFGCCOURAPO-UHFFFAOYSA-N -1 3 314.410 4.281 20 0 DIADHM CCO[C@@H](c1noc(/C=C/c2cccc([O-])c2)n1)c1ccccc1 ZINC000445778053 338508449 /nfs/dbraw/zinc/50/84/49/338508449.db2.gz SQGCOQFQWDLWPK-IENJSVCTSA-N -1 3 322.364 4.072 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1C1CC1 ZINC000331534290 336139461 /nfs/dbraw/zinc/13/94/61/336139461.db2.gz PSCCSEUQEFWWCB-UHFFFAOYSA-N -1 3 304.777 4.051 20 0 DIADHM CC1CCC(OC2CCN(Cc3cc([O-])cc(F)c3)CC2)CC1 ZINC000352002704 336187803 /nfs/dbraw/zinc/18/78/03/336187803.db2.gz MSGAYRMYHIRIDD-UHFFFAOYSA-N -1 3 321.436 4.091 20 0 DIADHM Cc1ccc([C@H](C)N(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000352610819 336226801 /nfs/dbraw/zinc/22/68/01/336226801.db2.gz YBCZWSHQTASRSY-LBPRGKRZSA-N -1 3 303.789 4.187 20 0 DIADHM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000532383106 336244301 /nfs/dbraw/zinc/24/43/01/336244301.db2.gz CVULJHGBJQWEQP-NSHDSACASA-N -1 3 311.809 4.112 20 0 DIADHM O=C(Nc1ccccc1CCC(F)(F)F)c1cccc([O-])c1 ZINC000182593926 336274168 /nfs/dbraw/zinc/27/41/68/336274168.db2.gz HRIYETADOKVJPZ-UHFFFAOYSA-N -1 3 309.287 4.139 20 0 DIADHM C[C@@H]1C[C@H](c2cccnc2)N(Cc2cccc([O-])c2Cl)C1 ZINC000352897456 336373826 /nfs/dbraw/zinc/37/38/26/336373826.db2.gz NALUBHWGWXDXCE-IUODEOHRSA-N -1 3 302.805 4.024 20 0 DIADHM Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000354242214 336464453 /nfs/dbraw/zinc/46/44/53/336464453.db2.gz XHFRBZQZEUHCOQ-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCCC[C@@H]1c1ccco1 ZINC000354975676 336489706 /nfs/dbraw/zinc/48/97/06/336489706.db2.gz WUFNGAUFHDWQCZ-OAHLLOKOSA-N -1 3 319.788 4.396 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1C(F)(F)F)[C@@H]1CCC(C)(C)C1 ZINC000358070476 336609854 /nfs/dbraw/zinc/60/98/54/336609854.db2.gz HFDSJTUEQAMSMR-SNVBAGLBSA-N -1 3 315.335 4.062 20 0 DIADHM CC[C@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000362348471 336793326 /nfs/dbraw/zinc/79/33/26/336793326.db2.gz JFNLSRQPCZUHBV-HNNXBMFYSA-N -1 3 319.788 4.085 20 0 DIADHM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccccc1[O-] ZINC000371502533 336906475 /nfs/dbraw/zinc/90/64/75/336906475.db2.gz SRHVWINMUSNWMW-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC(C)Oc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000390924353 336949352 /nfs/dbraw/zinc/94/93/52/336949352.db2.gz YMNTXRUAPNSFJM-CQSZACIVSA-N -1 3 313.397 4.023 20 0 DIADHM C[C@@H]1C[C@@H](C)CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582671691 337118997 /nfs/dbraw/zinc/11/89/97/337118997.db2.gz SXDQMPFFDMWOJQ-RULNRJAQSA-N -1 3 316.228 4.097 20 0 DIADHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2Cl)[C@H]2CCC[C@H]21 ZINC000394499004 337120145 /nfs/dbraw/zinc/12/01/45/337120145.db2.gz ZFICYWACRGVZLG-KGLIPLIRSA-N -1 3 307.821 4.049 20 0 DIADHM C[C@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582791070 337168508 /nfs/dbraw/zinc/16/85/08/337168508.db2.gz PBYMLRQRBDMCGL-IINYFYTJSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H]1CCCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582791071 337168553 /nfs/dbraw/zinc/16/85/53/337168553.db2.gz PBYMLRQRBDMCGL-QMTHXVAHSA-N -1 3 316.228 4.241 20 0 DIADHM CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cccc([O-])c1 ZINC000182447702 337186349 /nfs/dbraw/zinc/18/63/49/337186349.db2.gz FBGPDAGAUROOFJ-UHFFFAOYSA-N -1 3 321.380 4.089 20 0 DIADHM CCc1cccc(C)c1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182158202 337186832 /nfs/dbraw/zinc/18/68/32/337186832.db2.gz MPCPGSMHPIAPJF-UHFFFAOYSA-N -1 3 303.789 4.098 20 0 DIADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000183277674 337192693 /nfs/dbraw/zinc/19/26/93/337192693.db2.gz XQQVHDFYRFNGDK-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM O=[S@](Cc1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000184071326 337195935 /nfs/dbraw/zinc/19/59/35/337195935.db2.gz KIAMUBHDJFUPJR-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186165080 337254056 /nfs/dbraw/zinc/25/40/56/337254056.db2.gz KRXBRVGANMLVTF-NSHDSACASA-N -1 3 316.401 4.334 20 0 DIADHM CCc1nc2c(s1)[C@@H](N(C)Cc1cc([O-])cc(F)c1)CCC2 ZINC000186250810 337254955 /nfs/dbraw/zinc/25/49/55/337254955.db2.gz IGVUTDMDRDEFPC-HNNXBMFYSA-N -1 3 320.433 4.060 20 0 DIADHM C[C@@H](Oc1cccc(Cl)c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000314808909 337389554 /nfs/dbraw/zinc/38/95/54/337389554.db2.gz BGLWIVVSLQFOES-SNVBAGLBSA-N -1 3 316.744 4.236 20 0 DIADHM O=C([N-]c1ccsc1)c1cc(-c2cccc(Cl)c2)no1 ZINC000125156319 337409634 /nfs/dbraw/zinc/40/96/34/337409634.db2.gz XJHLRFBCSRSFEA-UHFFFAOYSA-N -1 3 304.758 4.309 20 0 DIADHM CCOc1ccccc1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000105165880 337470885 /nfs/dbraw/zinc/47/08/85/337470885.db2.gz DSWKCACCNOTLBS-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM Cc1ccccc1C1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000571887364 337581067 /nfs/dbraw/zinc/58/10/67/337581067.db2.gz DVNNCOGUVDCGPE-AWEZNQCLSA-N -1 3 313.397 4.227 20 0 DIADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000572313203 337606160 /nfs/dbraw/zinc/60/61/60/337606160.db2.gz CKAJWAVNAMHMFL-GOSISDBHSA-N -1 3 323.436 4.104 20 0 DIADHM C[C@@H]1CC[C@H](c2noc(-c3cc4cc(Cl)sc4[n-]3)n2)O1 ZINC000528235665 337797506 /nfs/dbraw/zinc/79/75/06/337797506.db2.gz JGJVHBJMCBLTKF-HZGVNTEJSA-N -1 3 309.778 4.173 20 0 DIADHM CCOc1cc(-c2noc([C@@H]3CC34CCCCC4)n2)ccc1[O-] ZINC000445433119 337804838 /nfs/dbraw/zinc/80/48/38/337804838.db2.gz XEJNNWLFCQAZTK-ZDUSSCGKSA-N -1 3 314.385 4.279 20 0 DIADHM Cc1sc2ncnc([N-]c3nc(C4CC4)cs3)c2c1C ZINC000045913811 337829841 /nfs/dbraw/zinc/82/98/41/337829841.db2.gz UNLXXHKLIUKKAJ-UHFFFAOYSA-N -1 3 302.428 4.386 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000533159140 337831987 /nfs/dbraw/zinc/83/19/87/337831987.db2.gz KZYXWZNABJFVSM-NXEZZACHSA-N -1 3 323.726 4.066 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1sc(C2CCCC2)nc1C ZINC000089396086 337869241 /nfs/dbraw/zinc/86/92/41/337869241.db2.gz WUGVGDHSUBIASO-UHFFFAOYSA-N -1 3 319.430 4.220 20 0 DIADHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)C1CCC1 ZINC000120155269 337870890 /nfs/dbraw/zinc/87/08/90/337870890.db2.gz FALAXOQZAWJQDP-UHFFFAOYSA-N -1 3 324.405 4.408 20 0 DIADHM CC(C)Sc1ccccc1[N-]C(=O)c1noc2c1CCCC2 ZINC000122406452 337917673 /nfs/dbraw/zinc/91/76/73/337917673.db2.gz HQKXQIGZUYTWHB-UHFFFAOYSA-N -1 3 316.426 4.306 20 0 DIADHM Cc1cc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)no1 ZINC000061002363 337924151 /nfs/dbraw/zinc/92/41/51/337924151.db2.gz RFDLVCFISAKDMB-UHFFFAOYSA-N -1 3 302.717 4.149 20 0 DIADHM [O-]c1ccc(Br)c(CNc2ccc(F)cc2F)c1 ZINC000314966841 337977497 /nfs/dbraw/zinc/97/74/97/337977497.db2.gz AOBJIUJDAVITFM-UHFFFAOYSA-N -1 3 314.129 4.045 20 0 DIADHM CC(C)c1ccoc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000426240318 338023584 /nfs/dbraw/zinc/02/35/84/338023584.db2.gz AFSCPCNWZHLNEM-UHFFFAOYSA-N -1 3 318.760 4.403 20 0 DIADHM COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cc([O-])cc(F)c1 ZINC000426543175 338034421 /nfs/dbraw/zinc/03/44/21/338034421.db2.gz WZXXUAFPZVTIAM-QGZVFWFLSA-N -1 3 323.795 4.004 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1ccc(Oc2ccccc2)o1 ZINC000426626941 338036480 /nfs/dbraw/zinc/03/64/80/338036480.db2.gz BVIJZAZWJYZESJ-CQSZACIVSA-N -1 3 317.385 4.195 20 0 DIADHM CC(C)(CCCNCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000426653140 338037101 /nfs/dbraw/zinc/03/71/01/338037101.db2.gz YWIWIQMAPCWEEQ-UHFFFAOYSA-N -1 3 319.376 4.066 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000426656501 338037251 /nfs/dbraw/zinc/03/72/51/338037251.db2.gz YMUVJHGPIRFXTM-JTQLQIEISA-N -1 3 304.217 4.117 20 0 DIADHM Cc1c(F)cccc1-c1ccc(CNCCCCCC(=O)[O-])o1 ZINC000426683138 338037965 /nfs/dbraw/zinc/03/79/65/338037965.db2.gz OYJBVCKYUULTFH-UHFFFAOYSA-N -1 3 319.376 4.129 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000426695846 338038395 /nfs/dbraw/zinc/03/83/95/338038395.db2.gz LDZJKQLSEAWIGG-UHFFFAOYSA-N -1 3 323.314 4.002 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc(Cl)c(C)c2)C(=O)[O-])c1C ZINC000426742408 338040229 /nfs/dbraw/zinc/04/02/29/338040229.db2.gz JMHDLQUSIDNNAQ-QGZVFWFLSA-N -1 3 317.816 4.181 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1C ZINC000426742879 338040292 /nfs/dbraw/zinc/04/02/92/338040292.db2.gz RCYSRHHELWHNAX-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM O=C([O-])C[C@H](NCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000426748315 338040450 /nfs/dbraw/zinc/04/04/50/338040450.db2.gz WJQZBPQMGHDJFW-HNNXBMFYSA-N -1 3 324.207 4.299 20 0 DIADHM Cc1cc(C)cc([C@@H](NCc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000426760071 338041185 /nfs/dbraw/zinc/04/11/85/338041185.db2.gz YSKMSTNRKFJURO-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM CC(F)(F)CC(=O)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000428645709 338057668 /nfs/dbraw/zinc/05/76/68/338057668.db2.gz UHUDNWWIUBVLCM-JTQLQIEISA-N -1 3 315.669 4.105 20 0 DIADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cc(Cl)ccc1Cl ZINC000428687317 338058624 /nfs/dbraw/zinc/05/86/24/338058624.db2.gz CKNGEZBEUCJXRU-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1ncccc1Cl ZINC000429886614 338091456 /nfs/dbraw/zinc/09/14/56/338091456.db2.gz OUTCWPCVGMCVSU-UHFFFAOYSA-N -1 3 313.209 4.363 20 0 DIADHM CC1(C)CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000448870629 338117089 /nfs/dbraw/zinc/11/70/89/338117089.db2.gz BYNVWHZRTPDTGM-UHFFFAOYSA-N -1 3 311.425 4.127 20 0 DIADHM O=C(N[C@H](c1ccccc1)C1CCC1)c1cc([O-])ccc1Cl ZINC000431775571 338138526 /nfs/dbraw/zinc/13/85/26/338138526.db2.gz JYZXEGQDRFKIEI-QGZVFWFLSA-N -1 3 315.800 4.317 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](c2ccco2)C1 ZINC000431859088 338140322 /nfs/dbraw/zinc/14/03/22/338140322.db2.gz QKXVETUITPOWBD-ABAIWWIYSA-N -1 3 319.788 4.252 20 0 DIADHM CC(C)[C@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000431906321 338141432 /nfs/dbraw/zinc/14/14/32/338141432.db2.gz GFJAEAQDSWTDKY-INIZCTEOSA-N -1 3 317.816 4.215 20 0 DIADHM Cc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1F ZINC000432710148 338163653 /nfs/dbraw/zinc/16/36/53/338163653.db2.gz NZDDTNKATFTKFJ-LGMDPLHJSA-N -1 3 320.367 4.001 20 0 DIADHM CSCc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000433369088 338193801 /nfs/dbraw/zinc/19/38/01/338193801.db2.gz YRPVZKGQCDLBPD-UHFFFAOYSA-N -1 3 307.802 4.161 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CC)C(C)(C)C)nc2)n1 ZINC000433779305 338201594 /nfs/dbraw/zinc/20/15/94/338201594.db2.gz IQSLYSJGIJKJCP-CQSZACIVSA-N -1 3 314.433 4.043 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(F)c(C)c2)CC)n1 ZINC000435336095 338237186 /nfs/dbraw/zinc/23/71/86/338237186.db2.gz MPUOEDSNNSKNGO-UVTDQMKNSA-N -1 3 300.377 4.121 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(Cl)c(F)c2)CC)n1 ZINC000435339224 338237445 /nfs/dbraw/zinc/23/74/45/338237445.db2.gz QKNUFDCFPXABPO-XYOKQWHBSA-N -1 3 320.795 4.466 20 0 DIADHM CC[C@@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448559330 338238850 /nfs/dbraw/zinc/23/88/50/338238850.db2.gz YWQVTIYXRUGLJU-QGZVFWFLSA-N -1 3 311.425 4.269 20 0 DIADHM CSc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436162512 338260079 /nfs/dbraw/zinc/26/00/79/338260079.db2.gz OTEPHBAFHAZHTB-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CCSCc1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000436271419 338264787 /nfs/dbraw/zinc/26/47/87/338264787.db2.gz DIRLEECHILUIFN-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM CCC[C@@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436528752 338275398 /nfs/dbraw/zinc/27/53/98/338275398.db2.gz PEDUZYXWVCMMGL-CQSZACIVSA-N -1 3 313.397 4.445 20 0 DIADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000436533196 338275457 /nfs/dbraw/zinc/27/54/57/338275457.db2.gz USJXTPBCZHMMSW-CYBMUJFWSA-N -1 3 309.365 4.246 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3F)no2)c1 ZINC000436533015 338275461 /nfs/dbraw/zinc/27/54/61/338275461.db2.gz LFMHKLFWJQUCFT-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM CC[C@@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])c1nccs1 ZINC000436532023 338275556 /nfs/dbraw/zinc/27/55/56/338275556.db2.gz URWSQJHOHWQRLB-QGZVFWFLSA-N -1 3 318.442 4.027 20 0 DIADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)c1ccc(F)cc1F ZINC000436530806 338275608 /nfs/dbraw/zinc/27/56/08/338275608.db2.gz GDAPTTVASFVGAQ-SNVBAGLBSA-N -1 3 316.307 4.067 20 0 DIADHM CCC[C@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436533231 338275634 /nfs/dbraw/zinc/27/56/34/338275634.db2.gz XPYKWFRIBPQUSC-HNNXBMFYSA-N -1 3 311.425 4.244 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(F)cc(C(F)(F)F)c3)n2)cc1 ZINC000436537543 338275953 /nfs/dbraw/zinc/27/59/53/338275953.db2.gz XVPSXMKYNZBISB-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM CC[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436543684 338276273 /nfs/dbraw/zinc/27/62/73/338276273.db2.gz IPQIKNXQOTWIRL-AWEZNQCLSA-N -1 3 311.381 4.199 20 0 DIADHM COc1cc(-c2noc(-c3cc(C(C)C)oc3C)n2)ccc1[O-] ZINC000436556575 338276869 /nfs/dbraw/zinc/27/68/69/338276869.db2.gz SCNGGZGINAAZJM-UHFFFAOYSA-N -1 3 314.341 4.143 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC000436557558 338276948 /nfs/dbraw/zinc/27/69/48/338276948.db2.gz XETSUKQZBHXTTC-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c([O-])c1C ZINC000436561717 338277070 /nfs/dbraw/zinc/27/70/70/338277070.db2.gz HIOUWSCCMRAHCC-GOSISDBHSA-N -1 3 323.436 4.246 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c([O-])c1C ZINC000436561719 338277142 /nfs/dbraw/zinc/27/71/42/338277142.db2.gz HIOUWSCCMRAHCC-SFHVURJKSA-N -1 3 323.436 4.246 20 0 DIADHM Cc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)c([O-])c1 ZINC000436566107 338277383 /nfs/dbraw/zinc/27/73/83/338277383.db2.gz UYDBCABJEMSKKK-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436571269 338277704 /nfs/dbraw/zinc/27/77/04/338277704.db2.gz CJUJEYNASSCYFX-GJZGRUSLSA-N -1 3 321.486 4.262 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(CC(F)(F)F)c2)c1[O-] ZINC000436576332 338278014 /nfs/dbraw/zinc/27/80/14/338278014.db2.gz QLQCCRLOBKABHD-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c([O-])c1C ZINC000436578908 338278244 /nfs/dbraw/zinc/27/82/44/338278244.db2.gz XSIKODCHKUKXCF-LRDDRELGSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([O-])c1C ZINC000436578904 338278257 /nfs/dbraw/zinc/27/82/57/338278257.db2.gz XSIKODCHKUKXCF-BLLLJJGKSA-N -1 3 313.397 4.215 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000436589433 338278665 /nfs/dbraw/zinc/27/86/65/338278665.db2.gz KPOWRWWKHNBMHS-KRWDZBQOSA-N -1 3 323.436 4.220 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c([O-])c1C ZINC000436589856 338278677 /nfs/dbraw/zinc/27/86/77/338278677.db2.gz QACIVRVGCVRYQJ-WBVHZDCISA-N -1 3 309.409 4.027 20 0 DIADHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000436590903 338278851 /nfs/dbraw/zinc/27/88/51/338278851.db2.gz OONIETVSMMTDCZ-QGZVFWFLSA-N -1 3 311.425 4.102 20 0 DIADHM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436592425 338278905 /nfs/dbraw/zinc/27/89/05/338278905.db2.gz VEXPGMKCQDKGMY-IEBWSBKVSA-N -1 3 323.436 4.417 20 0 DIADHM C[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436593453 338279071 /nfs/dbraw/zinc/27/90/71/338279071.db2.gz CBGKNGPVVPUHBU-INIZCTEOSA-N -1 3 323.436 4.050 20 0 DIADHM CCc1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(C)o1 ZINC000436604524 338279588 /nfs/dbraw/zinc/27/95/88/338279588.db2.gz AUOZAYPIEZNXKG-UHFFFAOYSA-N -1 3 321.336 4.121 20 0 DIADHM COc1ccccc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436606695 338279624 /nfs/dbraw/zinc/27/96/24/338279624.db2.gz DUZSDVUGCPHUET-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CCc1onc(C)c1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436610921 338279802 /nfs/dbraw/zinc/27/98/02/338279802.db2.gz KMQYBUPWORPOAO-UHFFFAOYSA-N -1 3 321.336 4.121 20 0 DIADHM [O-]c1ccc(-c2noc(C(C3CC3)C3CC3)n2)c2ccccc12 ZINC000436612324 338279901 /nfs/dbraw/zinc/27/99/01/338279901.db2.gz MIHUIXLUAGBZPB-UHFFFAOYSA-N -1 3 306.365 4.499 20 0 DIADHM Cc1ncc(-c2nc(-c3ccc([O-])c4ccccc34)no2)s1 ZINC000436612822 338279928 /nfs/dbraw/zinc/27/99/28/338279928.db2.gz OFLBFADIXCFBDM-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM CSCCCCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436611645 338279995 /nfs/dbraw/zinc/27/99/95/338279995.db2.gz LIOWGEPFXGUCAO-UHFFFAOYSA-N -1 3 314.410 4.281 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)c2ccccc12 ZINC000436614195 338280121 /nfs/dbraw/zinc/28/01/21/338280121.db2.gz ZRGFKEIFXWHKPM-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM COCCC1(c2nc(-c3ccc([O-])c4ccccc34)no2)CCC1 ZINC000436616163 338280220 /nfs/dbraw/zinc/28/02/20/338280220.db2.gz HMVZKZWXFYYWKJ-UHFFFAOYSA-N -1 3 324.380 4.054 20 0 DIADHM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436625166 338280399 /nfs/dbraw/zinc/28/03/99/338280399.db2.gz DKVCKDIFCGKSEY-UHFFFAOYSA-N -1 3 319.788 4.435 20 0 DIADHM CCCOc1cc(F)ccc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436658471 338281947 /nfs/dbraw/zinc/28/19/47/338281947.db2.gz LRIYBUUIOGOIEU-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM Cc1sc2[nH]c(-c3cc(C)c([O-])c(C)c3)nc(=O)c2c1C ZINC000436664621 338282128 /nfs/dbraw/zinc/28/21/28/338282128.db2.gz JYRTULKDKFBBJO-UHFFFAOYSA-N -1 3 300.383 4.003 20 0 DIADHM O=C(c1ccccc1[O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000436694437 338283218 /nfs/dbraw/zinc/28/32/18/338283218.db2.gz ASFCHUGHSHIROH-UHFFFAOYSA-N -1 3 315.372 4.215 20 0 DIADHM Cc1ccccc1CSCc1noc(-c2ccccc2[O-])n1 ZINC000436709771 338283693 /nfs/dbraw/zinc/28/36/93/338283693.db2.gz ZIUNMOUMKHWJCL-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM CCCC[C@@H](C)N(CCCC)C(=O)c1ccc([O-])c(OC)c1 ZINC000436710790 338283702 /nfs/dbraw/zinc/28/37/02/338283702.db2.gz YWLRDFXIOSOEKZ-CQSZACIVSA-N -1 3 307.434 4.222 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([O-])c1 ZINC000436715150 338283918 /nfs/dbraw/zinc/28/39/18/338283918.db2.gz ICTJTVRFIPARDH-CQSZACIVSA-N -1 3 301.430 4.168 20 0 DIADHM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436727693 338284467 /nfs/dbraw/zinc/28/44/67/338284467.db2.gz BPAJTRZYVDSRKF-WMZOPIPTSA-N -1 3 309.409 4.191 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000436730312 338284522 /nfs/dbraw/zinc/28/45/22/338284522.db2.gz KVUYCMDXKNEUKO-DOTOQJQBSA-N -1 3 309.409 4.027 20 0 DIADHM C[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436755452 338285857 /nfs/dbraw/zinc/28/58/57/338285857.db2.gz NHXYGQOCCBCGAD-AWEZNQCLSA-N -1 3 311.381 4.199 20 0 DIADHM CC(C)[C@@H](C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436759506 338285934 /nfs/dbraw/zinc/28/59/34/338285934.db2.gz YVVPNYXOZKZXFF-CQSZACIVSA-N -1 3 313.397 4.301 20 0 DIADHM COc1ccccc1/C(C)=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436767664 338286503 /nfs/dbraw/zinc/28/65/03/338286503.db2.gz GSIQLEARLZCGRK-QXMHVHEDSA-N -1 3 308.337 4.011 20 0 DIADHM [O-]c1ccc(-c2noc(-c3csc(-c4ccccc4)n3)n2)cc1 ZINC000436769437 338286521 /nfs/dbraw/zinc/28/65/21/338286521.db2.gz NZJOHTDMMBSCDO-UHFFFAOYSA-N -1 3 321.361 4.233 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436771273 338286847 /nfs/dbraw/zinc/28/68/47/338286847.db2.gz ZAKYZJXCOVLASE-KJEVXHAQSA-N -1 3 322.364 4.430 20 0 DIADHM Cc1oc(-c2ccccc2)nc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436773897 338286999 /nfs/dbraw/zinc/28/69/99/338286999.db2.gz UMEKWYSXEFWLAU-UHFFFAOYSA-N -1 3 319.320 4.073 20 0 DIADHM CCN(CC1CC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436783851 338287125 /nfs/dbraw/zinc/28/71/25/338287125.db2.gz IVOMHKPIKLUGQK-UHFFFAOYSA-N -1 3 311.381 4.057 20 0 DIADHM [O-]c1ccc(-c2noc(CC3CC(c4ccccc4)C3)n2)cc1 ZINC000436789390 338287529 /nfs/dbraw/zinc/28/75/29/338287529.db2.gz CBEWRSDZOHYVNU-UHFFFAOYSA-N -1 3 306.365 4.179 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c([O-])c1C ZINC000436794345 338287670 /nfs/dbraw/zinc/28/76/70/338287670.db2.gz VLKDKMRAZJSNBA-GOSISDBHSA-N -1 3 323.436 4.419 20 0 DIADHM CCC(CC)n1ccc(C(=O)Nc2cc(Cl)cc(C)c2[O-])n1 ZINC000436806490 338287897 /nfs/dbraw/zinc/28/78/97/338287897.db2.gz HVDUMMLKUVUXLI-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000436803506 338287918 /nfs/dbraw/zinc/28/79/18/338287918.db2.gz PLAPOEXRGDHTLR-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cc(C)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436833110 338289216 /nfs/dbraw/zinc/28/92/16/338289216.db2.gz IUZQLRIDCWZKIF-AEFFLSMTSA-N -1 3 323.436 4.357 20 0 DIADHM CC[C@H]1CN(C(=O)c2ccc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC000436840118 338289531 /nfs/dbraw/zinc/28/95/31/338289531.db2.gz WBMNTBRTFJPRHN-FUHWJXTLSA-N -1 3 323.436 4.357 20 0 DIADHM CCOc1ccccc1-c1noc(-c2ccc(CC)cc2[O-])n1 ZINC000436846072 338289673 /nfs/dbraw/zinc/28/96/73/338289673.db2.gz WFCSPFGWKUQTEI-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM Cc1ccc(C(=O)N2CCCC3(CCCCC3)C2)c([O-])c1C ZINC000436864279 338290368 /nfs/dbraw/zinc/29/03/68/338290368.db2.gz NCVCHAULCDAKRV-UHFFFAOYSA-N -1 3 301.430 4.196 20 0 DIADHM C[C@@H](c1cn(C)c2ccccc12)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868081 338290598 /nfs/dbraw/zinc/29/05/98/338290598.db2.gz FSRBPBRLFWJOQR-LBPRGKRZSA-N -1 3 319.364 4.086 20 0 DIADHM CCc1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c([O-])c1 ZINC000436879198 338291451 /nfs/dbraw/zinc/29/14/51/338291451.db2.gz FMOKCYNJKOFAHT-JKSUJKDBSA-N -1 3 306.365 4.276 20 0 DIADHM Cc1ccc(-c2nc(C3(c4cc(F)ccc4C)CC3)no2)c([O-])c1 ZINC000436884259 338291811 /nfs/dbraw/zinc/29/18/11/338291811.db2.gz AUSLGSJVFSJPKP-UHFFFAOYSA-N -1 3 324.355 4.278 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000436887846 338291982 /nfs/dbraw/zinc/29/19/82/338291982.db2.gz LEOZPECEVCFOID-UHFFFAOYSA-N -1 3 322.242 4.008 20 0 DIADHM CC(C)c1ccc(-c2nc(COc3ccccc3)no2)c([O-])c1 ZINC000436891451 338292159 /nfs/dbraw/zinc/29/21/59/338292159.db2.gz ISAFICFYESXWIO-UHFFFAOYSA-N -1 3 310.353 4.145 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)c([O-])c1C ZINC000436892869 338292252 /nfs/dbraw/zinc/29/22/52/338292252.db2.gz LRWYTNVQVUGPAZ-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM CC(C)(C)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436895999 338292551 /nfs/dbraw/zinc/29/25/51/338292551.db2.gz ZLHJIHWFMLVBGZ-UHFFFAOYSA-N -1 3 324.380 4.319 20 0 DIADHM CC(C)(C)Oc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436900987 338292773 /nfs/dbraw/zinc/29/27/73/338292773.db2.gz KLZMTQAFFZCIOL-UHFFFAOYSA-N -1 3 310.353 4.287 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccccc3OCC(C)C)no2)c1 ZINC000436913106 338293240 /nfs/dbraw/zinc/29/32/40/338293240.db2.gz YWXYUXBQYIQSQG-UHFFFAOYSA-N -1 3 324.380 4.452 20 0 DIADHM Cc1cc([O-])ccc1-c1nc(=O)c2cc(C(C)(C)C)sc2[nH]1 ZINC000436922026 338293418 /nfs/dbraw/zinc/29/34/18/338293418.db2.gz LWIGZTHNEXUNHY-UHFFFAOYSA-N -1 3 314.410 4.375 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC(c2cccc(Cl)c2)CC1 ZINC000436922826 338293686 /nfs/dbraw/zinc/29/36/86/338293686.db2.gz QLILGDZMJXDDKJ-UHFFFAOYSA-N -1 3 315.800 4.065 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)c([O-])c1 ZINC000436927430 338293871 /nfs/dbraw/zinc/29/38/71/338293871.db2.gz NPPCYUMQHOLACY-UHFFFAOYSA-N -1 3 320.352 4.109 20 0 DIADHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000436925681 338293937 /nfs/dbraw/zinc/29/39/37/338293937.db2.gz KGMCXOIMLJCPKM-RDJZCZTQSA-N -1 3 309.409 4.027 20 0 DIADHM Cc1coc(-c2ccc(C)c(NC(=O)c3ccc([O-])c(C)c3)c2)n1 ZINC000436939760 338294744 /nfs/dbraw/zinc/29/47/44/338294744.db2.gz QQROZCOFBPFBSQ-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1cccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000436940821 338294795 /nfs/dbraw/zinc/29/47/95/338294795.db2.gz YINVCUVBCKBPSU-RKVPGOIHSA-N -1 3 309.409 4.107 20 0 DIADHM CCc1ccc([O-])c(-c2nc(-c3cncc4ccccc43)no2)c1 ZINC000436939684 338294865 /nfs/dbraw/zinc/29/48/65/338294865.db2.gz PUTXZRVJFDEURN-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM Cc1cc([O-])c2nc(/C=C/c3ccn(C(F)F)n3)ccc2c1 ZINC000436942299 338294939 /nfs/dbraw/zinc/29/49/39/338294939.db2.gz HQOTYJNCDIWRKU-SNAWJCMRSA-N -1 3 301.296 4.011 20 0 DIADHM Cc1ccc(-c2nc([C@H](C)c3cccs3)no2)c([O-])c1C ZINC000436942422 338295017 /nfs/dbraw/zinc/29/50/17/338295017.db2.gz VSIXRBVEKSYFSE-LLVKDONJSA-N -1 3 300.383 4.272 20 0 DIADHM Cc1ccc(-c2nc([C@@H](C)c3cccs3)no2)c([O-])c1C ZINC000436942425 338295056 /nfs/dbraw/zinc/29/50/56/338295056.db2.gz VSIXRBVEKSYFSE-NSHDSACASA-N -1 3 300.383 4.272 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c([O-])c1C ZINC000436948698 338295379 /nfs/dbraw/zinc/29/53/79/338295379.db2.gz KHLLIRGSHKCACF-OAQYLSRUSA-N -1 3 323.436 4.203 20 0 DIADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC2(CCCC2)CC1 ZINC000436982582 338296617 /nfs/dbraw/zinc/29/66/17/338296617.db2.gz VDMGUTDZVKIOQJ-UHFFFAOYSA-N -1 3 313.441 4.067 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c([O-])c1C ZINC000436979032 338296666 /nfs/dbraw/zinc/29/66/66/338296666.db2.gz JQZDUQAOHQLWGW-WBVHZDCISA-N -1 3 323.436 4.336 20 0 DIADHM Cc1cccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)c1[O-] ZINC000436989462 338296938 /nfs/dbraw/zinc/29/69/38/338296938.db2.gz RUNVINWNDQBVAL-GOSISDBHSA-N -1 3 307.393 4.068 20 0 DIADHM COc1cc(-c2noc(-c3cc(Cl)ccc3C)n2)ccc1[O-] ZINC000439055710 338359766 /nfs/dbraw/zinc/35/97/66/338359766.db2.gz HUJXNPRBWBMUEP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439093175 338360848 /nfs/dbraw/zinc/36/08/48/338360848.db2.gz GECBKAWBQYFLAB-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c([O-])c1C ZINC000439393674 338368301 /nfs/dbraw/zinc/36/83/01/338368301.db2.gz DTHISUXUROZNAS-UHFFFAOYSA-N -1 3 323.396 4.192 20 0 DIADHM Cc1ccc(F)c(C(=O)[N-]c2cc(Cl)cc(F)c2F)c1F ZINC000441577674 338417062 /nfs/dbraw/zinc/41/70/62/338417062.db2.gz VJTOQGPUUXUQEH-UHFFFAOYSA-N -1 3 317.669 4.457 20 0 DIADHM Cc1nc(-c2ccc(C(=O)Nc3ccccc3[O-])cc2)cs1 ZINC000442286512 338423098 /nfs/dbraw/zinc/42/30/98/338423098.db2.gz BUMQQZGMNLDRJZ-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cc(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)ccc1[O-] ZINC000447860866 338569752 /nfs/dbraw/zinc/56/97/52/338569752.db2.gz KFODKISSLXRAML-SFHVURJKSA-N -1 3 315.388 4.309 20 0 DIADHM CCCc1cc(C(=O)[N-]c2ccccc2SC(C)C)no1 ZINC000450169347 338669813 /nfs/dbraw/zinc/66/98/13/338669813.db2.gz RUHVHVYWQGDRJD-UHFFFAOYSA-N -1 3 304.415 4.380 20 0 DIADHM CC[C@@H]1[C@@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450735798 338702364 /nfs/dbraw/zinc/70/23/64/338702364.db2.gz GOBOBZFQQWWMRI-KBXCAEBGSA-N -1 3 311.425 4.125 20 0 DIADHM CC[C@H]1[C@@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450735802 338702421 /nfs/dbraw/zinc/70/24/21/338702421.db2.gz GOBOBZFQQWWMRI-KSSFIOAISA-N -1 3 311.425 4.125 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)[C@@H]2CC23CCSCC3)c([O-])c1 ZINC000451482991 338736351 /nfs/dbraw/zinc/73/63/51/338736351.db2.gz WVPCDTRVMBRIHU-ZDUSSCGKSA-N -1 3 319.470 4.162 20 0 DIADHM Cc1ccc(CN(C(=O)c2cccc(C)c2[O-])C(C)C)s1 ZINC000195648565 338912356 /nfs/dbraw/zinc/91/23/56/338912356.db2.gz SKXLKBZLKOIVQI-UHFFFAOYSA-N -1 3 303.427 4.121 20 0 DIADHM CC(C)(C)C[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000457094755 338951388 /nfs/dbraw/zinc/95/13/88/338951388.db2.gz VRWZJANUTBXXGX-OAHLLOKOSA-N -1 3 321.436 4.139 20 0 DIADHM CC[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)s1 ZINC000459397417 339027031 /nfs/dbraw/zinc/02/70/31/339027031.db2.gz DMDMWVJXJPYRFK-LLVKDONJSA-N -1 3 323.849 4.015 20 0 DIADHM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[O-] ZINC000461792340 339067147 /nfs/dbraw/zinc/06/71/47/339067147.db2.gz ZNYSRHONRXTGTP-MRXNPFEDSA-N -1 3 319.788 4.088 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCCCC12CCCC2 ZINC000462962887 339099197 /nfs/dbraw/zinc/09/91/97/339099197.db2.gz DBAIBBBEYLANST-INIZCTEOSA-N -1 3 321.848 4.207 20 0 DIADHM CC(C)c1cccc(N(C)C(=O)c2c[n-]nc2-c2ccccc2)c1 ZINC000463166724 339107822 /nfs/dbraw/zinc/10/78/22/339107822.db2.gz UGMGBZVKUXWSMJ-UHFFFAOYSA-N -1 3 319.408 4.477 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@@H](c2ccncc2)C(C)C)c1[O-] ZINC000468104468 339254208 /nfs/dbraw/zinc/25/42/08/339254208.db2.gz WVRWILMJEAWDRX-OAHLLOKOSA-N -1 3 318.804 4.127 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000468389731 339261321 /nfs/dbraw/zinc/26/13/21/339261321.db2.gz LEDYCDFDIVVTSL-WBVHZDCISA-N -1 3 319.420 4.035 20 0 DIADHM CC[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000468428628 339262720 /nfs/dbraw/zinc/26/27/20/339262720.db2.gz QWPHQDHIROHULH-ZBFHGGJFSA-N -1 3 309.409 4.426 20 0 DIADHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000468532471 339265529 /nfs/dbraw/zinc/26/55/29/339265529.db2.gz PQOGFZRSOHXDOO-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM CSc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000468573072 339266701 /nfs/dbraw/zinc/26/67/01/339266701.db2.gz BEHPGSZCTFTIMR-UHFFFAOYSA-N -1 3 319.401 4.215 20 0 DIADHM CC(C)(C)C1=CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469031154 339278151 /nfs/dbraw/zinc/27/81/51/339278151.db2.gz RUAMLLNGNQKKOL-UHFFFAOYSA-N -1 3 319.420 4.059 20 0 DIADHM CCC(C)(C)[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469082356 339279646 /nfs/dbraw/zinc/27/96/46/339279646.db2.gz VIDCAXMILNPNBF-KRWDZBQOSA-N -1 3 321.436 4.281 20 0 DIADHM CCCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCC1 ZINC000469093125 339280021 /nfs/dbraw/zinc/28/00/21/339280021.db2.gz VBJBHZGRPJTWMU-QGZVFWFLSA-N -1 3 321.436 4.329 20 0 DIADHM CC(C)CCSCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000469120862 339280726 /nfs/dbraw/zinc/28/07/26/339280726.db2.gz SGMFPNADYKYLBX-CYBMUJFWSA-N -1 3 307.459 4.012 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc(C)c1F ZINC000469181403 339282373 /nfs/dbraw/zinc/28/23/73/339282373.db2.gz JEDYUXVZBHVANX-LLVKDONJSA-N -1 3 313.372 4.302 20 0 DIADHM CCC(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000469259378 339284357 /nfs/dbraw/zinc/28/43/57/339284357.db2.gz UONHEXIXSWMFAL-CYBMUJFWSA-N -1 3 323.392 4.139 20 0 DIADHM C[C@@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469296384 339285434 /nfs/dbraw/zinc/28/54/34/339285434.db2.gz QKHQYDPTLTZULI-CABCVRRESA-N -1 3 309.409 4.426 20 0 DIADHM C[C@@H](CCC(C)(C)C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469387114 339287555 /nfs/dbraw/zinc/28/75/55/339287555.db2.gz WNAAEYVGRUCPOJ-ZDUSSCGKSA-N -1 3 309.425 4.185 20 0 DIADHM CCCn1nc(C)c(/C=C/c2ccc3cccc([O-])c3n2)c1C ZINC000469990350 339307209 /nfs/dbraw/zinc/30/72/09/339307209.db2.gz JHYZJDXARWPPGJ-ZHACJKMWSA-N -1 3 307.397 4.334 20 0 DIADHM CCc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000471366279 339343734 /nfs/dbraw/zinc/34/37/34/339343734.db2.gz LSTLGVPNSRLHSG-UHFFFAOYSA-N -1 3 300.383 4.098 20 0 DIADHM [O-]c1cc(F)cc(CN[C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000472050515 339360780 /nfs/dbraw/zinc/36/07/80/339360780.db2.gz ZVCUYGRQPOJXOM-CQSZACIVSA-N -1 3 317.257 4.064 20 0 DIADHM CC(C)(NCc1cc([O-])cc(F)c1)c1cccc(Cl)c1F ZINC000472138070 339364036 /nfs/dbraw/zinc/36/40/36/339364036.db2.gz ITPMDAXRVCFPSR-UHFFFAOYSA-N -1 3 311.759 4.349 20 0 DIADHM Cc1nc2cc(C(=O)Nc3cc(Cl)cc(C)c3[O-])ccc2o1 ZINC000472430083 339371722 /nfs/dbraw/zinc/37/17/22/339371722.db2.gz XESHKFGDMMHEAQ-UHFFFAOYSA-N -1 3 316.744 4.056 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000473290817 339384212 /nfs/dbraw/zinc/38/42/12/339384212.db2.gz IOZYTRYJEKEQDI-UHFFFAOYSA-N -1 3 320.396 4.022 20 0 DIADHM CCCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCC1 ZINC000476179938 339470701 /nfs/dbraw/zinc/47/07/01/339470701.db2.gz XTYFDCZLOKBXHV-UHFFFAOYSA-N -1 3 301.308 4.320 20 0 DIADHM C[C@H](NC(=O)c1cccc([O-])c1)C1(c2ccccc2)CCCC1 ZINC000479780046 339548599 /nfs/dbraw/zinc/54/85/99/339548599.db2.gz ZEZZYTLIKXEJHZ-HNNXBMFYSA-N -1 3 309.409 4.023 20 0 DIADHM Cc1ccc2c(c1)scc2C(=O)Nc1ccc([O-])cc1F ZINC000480731921 339584997 /nfs/dbraw/zinc/58/49/97/339584997.db2.gz NBMLTZFRKKDRDE-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM CC(C)O[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000485504481 339704570 /nfs/dbraw/zinc/70/45/70/339704570.db2.gz LMXODRABLGLYPH-MRXNPFEDSA-N -1 3 319.788 4.150 20 0 DIADHM CCc1cc(C(=O)N2CCCSc3ccccc32)ccc1[O-] ZINC000485677192 339709045 /nfs/dbraw/zinc/70/90/45/339709045.db2.gz DLYMWPJEVXMHTF-UHFFFAOYSA-N -1 3 313.422 4.097 20 0 DIADHM CCc1csc(NC(=O)c2cc3cc(Cl)sc3[n-]2)n1 ZINC000486365462 339726019 /nfs/dbraw/zinc/72/60/19/339726019.db2.gz MRBHZSKYIGBPGC-UHFFFAOYSA-N -1 3 311.819 4.154 20 0 DIADHM CCc1cnc(NC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000486531727 339728969 /nfs/dbraw/zinc/72/89/69/339728969.db2.gz BKRLMWPIDNMXLD-UHFFFAOYSA-N -1 3 311.819 4.154 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000486952347 339739803 /nfs/dbraw/zinc/73/98/03/339739803.db2.gz BFKFKSIXTASYPA-AWEZNQCLSA-N -1 3 320.392 4.066 20 0 DIADHM Cc1cc(C(=O)Nc2cccc(OC3CCCC3)c2)ccc1[O-] ZINC000498502927 339743191 /nfs/dbraw/zinc/74/31/91/339743191.db2.gz KINBRAAGEWKLNA-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)oc1C ZINC000498508091 339743856 /nfs/dbraw/zinc/74/38/56/339743856.db2.gz SQOKJWHORXMPAM-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1cc(C(=O)Nc2ncc(-c3ccccc3)s2)ccc1[O-] ZINC000498523993 339767418 /nfs/dbraw/zinc/76/74/18/339767418.db2.gz UJXXDVQMEVQIQL-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCCCc1nnc([N-]C(=O)c2cc3cccc(C)c3o2)s1 ZINC000488344177 339777821 /nfs/dbraw/zinc/77/78/21/339777821.db2.gz HVASJRJTERMJFZ-UHFFFAOYSA-N -1 3 315.398 4.188 20 0 DIADHM COc1ccccc1[C@@H](C)S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000488824775 339794516 /nfs/dbraw/zinc/79/45/16/339794516.db2.gz ZVLBDDNYMRGYST-NEPJUHHUSA-N -1 3 304.415 4.055 20 0 DIADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)ccc1[O-] ZINC000490163937 339827501 /nfs/dbraw/zinc/82/75/01/339827501.db2.gz LMECFFWFVDFENA-SJLPKXTDSA-N -1 3 309.409 4.157 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000490643075 339836294 /nfs/dbraw/zinc/83/62/94/339836294.db2.gz ZGXLUWIMGWWFAS-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000499753398 340044018 /nfs/dbraw/zinc/04/40/18/340044018.db2.gz BNARUYJUOAUAEB-GFCCVEGCSA-N -1 3 303.789 4.153 20 0 DIADHM Cc1cc(C(=O)Nc2ccccc2N(C)C2CCCC2)ccc1[O-] ZINC000499819798 340045207 /nfs/dbraw/zinc/04/52/07/340045207.db2.gz UYQGJUIWOMYQEM-UHFFFAOYSA-N -1 3 324.424 4.332 20 0 DIADHM CC(C)(C)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1O ZINC000501248844 340076947 /nfs/dbraw/zinc/07/69/47/340076947.db2.gz PBVUDHWOXXVQDB-UHFFFAOYSA-N -1 3 319.788 4.301 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2ccccc2F)c([O-])c1 ZINC000501949267 340091255 /nfs/dbraw/zinc/09/12/55/340091255.db2.gz RBSTVBZMSQUSQL-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM COCc1cccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000501980149 340091955 /nfs/dbraw/zinc/09/19/55/340091955.db2.gz UGDNRDNDDFBOTF-UHFFFAOYSA-N -1 3 313.397 4.088 20 0 DIADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)c([O-])c1 ZINC000502664806 340109934 /nfs/dbraw/zinc/10/99/34/340109934.db2.gz IHKWNDNSVBUYSD-YIYPIFLZSA-N -1 3 311.381 4.159 20 0 DIADHM Cc1cnc([N-]c2ncnc3oc(-c4ccccc4)cc32)s1 ZINC000502700172 340111256 /nfs/dbraw/zinc/11/12/56/340111256.db2.gz OYXSSLLNZZJLDT-UHFFFAOYSA-N -1 3 308.366 4.398 20 0 DIADHM Cc1csc2[n-]c(-c3cc(C)c4ccccc4n3)nc(=O)c12 ZINC000504489782 340148315 /nfs/dbraw/zinc/14/83/15/340148315.db2.gz RVQLUVLAGHTREY-UHFFFAOYSA-N -1 3 307.378 4.229 20 0 DIADHM CC(C)c1cc(C(=O)[N-]c2nc3c(s2)CCCCCC3)on1 ZINC000504764302 340152263 /nfs/dbraw/zinc/15/22/63/340152263.db2.gz IIADZFJBTXTVOD-UHFFFAOYSA-N -1 3 319.430 4.166 20 0 DIADHM COc1csc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000506238247 340189715 /nfs/dbraw/zinc/18/97/15/340189715.db2.gz OGNWWGUCMZDMPR-UHFFFAOYSA-N -1 3 305.399 4.012 20 0 DIADHM COCCC1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCCC1 ZINC000506239905 340189730 /nfs/dbraw/zinc/18/97/30/340189730.db2.gz YNCIMKXRSYAYPN-UHFFFAOYSA-N -1 3 319.445 4.225 20 0 DIADHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1[O-])c1ccsc1 ZINC000506250036 340189948 /nfs/dbraw/zinc/18/99/48/340189948.db2.gz OQNSDKXUNMGLRN-LLVKDONJSA-N -1 3 303.427 4.493 20 0 DIADHM Cc1nc2c(cccc2C(=O)Nc2ccc(C(C)(C)C)cc2[O-])o1 ZINC000506254129 340190075 /nfs/dbraw/zinc/19/00/75/340190075.db2.gz NBLLDPYGTBVDQL-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CN(Cc1c(F)cccc1Cl)Cc1c(F)ccc([O-])c1F ZINC000506960195 340204410 /nfs/dbraw/zinc/20/44/10/340204410.db2.gz AFUIOAPGJJYBKM-UHFFFAOYSA-N -1 3 315.722 4.095 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000507112364 340207699 /nfs/dbraw/zinc/20/76/99/340207699.db2.gz UYVJVFWHZJLYHS-MRXNPFEDSA-N -1 3 302.805 4.086 20 0 DIADHM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000507141144 340209251 /nfs/dbraw/zinc/20/92/51/340209251.db2.gz GQUSDCFZHWUXEV-RAXLEYEMSA-N -1 3 315.800 4.221 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000507154713 340209715 /nfs/dbraw/zinc/20/97/15/340209715.db2.gz KTGFLWKJSQZQHX-MRXNPFEDSA-N -1 3 302.805 4.086 20 0 DIADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000507375039 340218263 /nfs/dbraw/zinc/21/82/63/340218263.db2.gz KYIJWKZWPUYUTR-GFCCVEGCSA-N -1 3 324.346 4.307 20 0 DIADHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000507978800 340236791 /nfs/dbraw/zinc/23/67/91/340236791.db2.gz JIHQDKZSZKHOOA-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000508527027 340245665 /nfs/dbraw/zinc/24/56/65/340245665.db2.gz KMVILJLSUBOZEE-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])cc1Cl ZINC000508755216 340252424 /nfs/dbraw/zinc/25/24/24/340252424.db2.gz VYZGQVGLMGZNCR-UHFFFAOYSA-N -1 3 317.816 4.027 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(Cl)c(F)c1 ZINC000508778320 340253013 /nfs/dbraw/zinc/25/30/13/340253013.db2.gz MLMWNKVMNSWMRW-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H](Nc3ccccc3)C2)c1Cl ZINC000508787882 340253136 /nfs/dbraw/zinc/25/31/36/340253136.db2.gz AIUJUIIDCDEQPU-INIZCTEOSA-N -1 3 316.832 4.122 20 0 DIADHM C[C@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)c2ccccc21 ZINC000508795968 340253306 /nfs/dbraw/zinc/25/33/06/340253306.db2.gz OGWUFLDEUXLYAA-LBPRGKRZSA-N -1 3 315.800 4.129 20 0 DIADHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cccc([O-])c1 ZINC000509015447 340258379 /nfs/dbraw/zinc/25/83/79/340258379.db2.gz LEYFQRHFJFUYGS-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM CC(C)CN(C(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000509051992 340259578 /nfs/dbraw/zinc/25/95/78/340259578.db2.gz PXZNKUYBADDMQG-UHFFFAOYSA-N -1 3 309.837 4.015 20 0 DIADHM CCC(CC)[C@@H](NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000509083714 340260862 /nfs/dbraw/zinc/26/08/62/340260862.db2.gz SLNLWLQLRAXEHC-MRXNPFEDSA-N -1 3 303.427 4.361 20 0 DIADHM Cc1cc(N2CCCC2)ccc1NCc1c(F)ccc([O-])c1F ZINC000509124852 340261836 /nfs/dbraw/zinc/26/18/36/340261836.db2.gz JOHIRJQTCQHNSI-UHFFFAOYSA-N -1 3 318.367 4.191 20 0 DIADHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cccc([O-])c1 ZINC000509156654 340262583 /nfs/dbraw/zinc/26/25/83/340262583.db2.gz TUSUFAVEIUNCQW-AWEZNQCLSA-N -1 3 322.191 4.116 20 0 DIADHM Cc1cc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)ccc1[O-] ZINC000509723181 340277890 /nfs/dbraw/zinc/27/78/90/340277890.db2.gz WJAGVZSUFLXUAN-FYGXRCCRSA-N -1 3 307.393 4.019 20 0 DIADHM COc1cc(C(=O)N[C@H](C)c2cccc3ccccc32)ccc1[O-] ZINC000509824851 340280619 /nfs/dbraw/zinc/28/06/19/340280619.db2.gz MDABVSVCTPWGEJ-CYBMUJFWSA-N -1 3 321.376 4.045 20 0 DIADHM [O-]c1ccc(F)c(CNCc2csc3ccccc23)c1F ZINC000509954798 340283688 /nfs/dbraw/zinc/28/36/88/340283688.db2.gz FMXVKJOKUDPJNT-UHFFFAOYSA-N -1 3 305.349 4.175 20 0 DIADHM [O-]c1ccc(F)c(CNCc2ccc(-c3ccccc3)o2)c1F ZINC000510027715 340285678 /nfs/dbraw/zinc/28/56/78/340285678.db2.gz FLLLELQBBZXLAK-UHFFFAOYSA-N -1 3 315.319 4.220 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc3oc(C4CC4)nc3c2)c1F ZINC000510050495 340286439 /nfs/dbraw/zinc/28/64/39/340286439.db2.gz REQKFKLLRVJNOQ-UHFFFAOYSA-N -1 3 316.307 4.301 20 0 DIADHM Cc1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1[O-] ZINC000302987030 340292461 /nfs/dbraw/zinc/29/24/61/340292461.db2.gz VHZRBRRFBFZUHE-UHFFFAOYSA-N -1 3 323.436 4.186 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@H]2CCCC[C@H]2C(F)(F)F)c1F ZINC000511564948 340330798 /nfs/dbraw/zinc/33/07/98/340330798.db2.gz RFEGGZNUHLUMOX-MWLCHTKSSA-N -1 3 323.305 4.129 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCC[C@@H]2C(F)(F)F)c1F ZINC000511564949 340330901 /nfs/dbraw/zinc/33/09/01/340330901.db2.gz 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/nfs/dbraw/zinc/34/58/94/340345894.db2.gz ZBKJNQZBXJRHBT-WCBMZHEXSA-N -1 3 324.273 4.015 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c([O-])c1 ZINC000512430211 340361531 /nfs/dbraw/zinc/36/15/31/340361531.db2.gz NKCQBNYTENXDPY-GFCCVEGCSA-N -1 3 319.788 4.068 20 0 DIADHM Cc1ccc(NC(=O)c2cc(Cl)ccc2OC(C)C)c([O-])c1 ZINC000512607452 340368800 /nfs/dbraw/zinc/36/88/00/340368800.db2.gz UFQZGPGIHFYBPG-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cccc([O-])c1Cl ZINC000512677208 340372569 /nfs/dbraw/zinc/37/25/69/340372569.db2.gz HTPKDTKFHQKYIZ-MWLCHTKSSA-N -1 3 307.743 4.208 20 0 DIADHM CSc1ccccc1[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000512755224 340376148 /nfs/dbraw/zinc/37/61/48/340376148.db2.gz WHSHQULKZWOLKL-SNVBAGLBSA-N -1 3 321.829 4.259 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2cc([O-])ccc2Cl)c(O)c1 ZINC000512908329 340383713 /nfs/dbraw/zinc/38/37/13/340383713.db2.gz BLWBBAVECWGOPQ-UHFFFAOYSA-N -1 3 319.788 4.301 20 0 DIADHM CCN(Cc1c[nH]c2ccccc12)Cc1c(F)ccc([O-])c1F ZINC000513052025 340390988 /nfs/dbraw/zinc/39/09/88/340390988.db2.gz PVVKJFXSKKSOTK-UHFFFAOYSA-N -1 3 316.351 4.174 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)CC[C@@H]1C(F)(F)F ZINC000513183376 340396030 /nfs/dbraw/zinc/39/60/30/340396030.db2.gz KWYNZWYTLDOEEQ-LBPRGKRZSA-N -1 3 323.305 4.081 20 0 DIADHM [O-]c1ccc(F)c(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1F ZINC000513386643 340405206 /nfs/dbraw/zinc/40/52/06/340405206.db2.gz OFTPIWYKCAXPFZ-TZMCWYRMSA-N -1 3 321.342 4.235 20 0 DIADHM Cc1cc(O[C@@H](C)C(=O)Nc2c(C)cccc2[O-])ccc1Cl ZINC000183059124 340486319 /nfs/dbraw/zinc/48/63/19/340486319.db2.gz PIBKGECJVIUSBK-LBPRGKRZSA-N -1 3 319.788 4.068 20 0 DIADHM CCC(CC)(C(=O)Nc1ccc([O-])cc1F)c1ccccc1 ZINC000183237629 340487105 /nfs/dbraw/zinc/48/71/05/340487105.db2.gz IGYASDAAEJLTSN-UHFFFAOYSA-N -1 3 301.361 4.228 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000183275588 340487140 /nfs/dbraw/zinc/48/71/40/340487140.db2.gz XXJNIVHGBHHHFY-IAGOWNOFSA-N -1 3 321.351 4.427 20 0 DIADHM Cc1cccc(OCCCCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000183255413 340487175 /nfs/dbraw/zinc/48/71/75/340487175.db2.gz OFNAWFKYWVORMJ-UHFFFAOYSA-N -1 3 317.360 4.028 20 0 DIADHM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000184403966 340492672 /nfs/dbraw/zinc/49/26/72/340492672.db2.gz GEFHSMWLOBGIHC-UHFFFAOYSA-N -1 3 311.381 4.001 20 0 DIADHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1F ZINC000186270706 340510352 /nfs/dbraw/zinc/51/03/52/340510352.db2.gz BGRNBPBWGNLSHO-OLZOCXBDSA-N -1 3 313.372 4.175 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000220313769 340515818 /nfs/dbraw/zinc/51/58/18/340515818.db2.gz IKLQWMHRDUSULP-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM CCCC1(CNC(=O)c2cc([O-])ccc2C(F)(F)F)CCC1 ZINC000189503800 340536752 /nfs/dbraw/zinc/53/67/52/340536752.db2.gz AWXPUIQLHUSJLP-UHFFFAOYSA-N -1 3 315.335 4.111 20 0 DIADHM [O-]c1ccc(-c2noc(-c3cc(Cl)sc3Cl)n2)cc1 ZINC000225259250 340566097 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ZINC000539113323 340874065 /nfs/dbraw/zinc/87/40/65/340874065.db2.gz UZYNEHPSBLOKFM-OAHLLOKOSA-N -1 3 320.392 4.250 20 0 DIADHM Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)o1 ZINC000072051969 341057874 /nfs/dbraw/zinc/05/78/74/341057874.db2.gz XVRBZYYTZKYAEU-UHFFFAOYSA-N -1 3 302.333 4.159 20 0 DIADHM CCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1C ZINC000544509359 341084528 /nfs/dbraw/zinc/08/45/28/341084528.db2.gz JJQPCQJMPAUZTL-UHFFFAOYSA-N -1 3 309.409 4.246 20 0 DIADHM CSCc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000131620849 341103452 /nfs/dbraw/zinc/10/34/52/341103452.db2.gz LHPYREHREFEQRR-UHFFFAOYSA-N -1 3 321.829 4.090 20 0 DIADHM C[C@H]1C[C@H]1c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000545066262 341106865 /nfs/dbraw/zinc/10/68/65/341106865.db2.gz FRLJHBRDDHHFKP-SWLSCSKDSA-N -1 3 306.365 4.156 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc3ccccc3n2C)c2c([O-])cccc21 ZINC000545246318 341117090 /nfs/dbraw/zinc/11/70/90/341117090.db2.gz RACIBYKFJPIZJR-CYBMUJFWSA-N -1 3 320.392 4.038 20 0 DIADHM CCc1cccc(-c2nc(-c3cnc4ccccc4c3)no2)c1[O-] ZINC000545695041 341136680 /nfs/dbraw/zinc/13/66/80/341136680.db2.gz CBQIZZAQENCKDK-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM C[C@H](OC1CCCCCC1)c1nc(-c2ccc([O-])cc2)no1 ZINC000546589639 341173697 /nfs/dbraw/zinc/17/36/97/341173697.db2.gz CRGQTEIRFLWFFG-LBPRGKRZSA-N -1 3 302.374 4.243 20 0 DIADHM Cc1ccc(C(=O)CCCCC(=O)Nc2ccccc2[O-])cc1 ZINC000546796431 341182636 /nfs/dbraw/zinc/18/26/36/341182636.db2.gz GJWZMJSOKSTKCB-UHFFFAOYSA-N -1 3 311.381 4.082 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cc(F)c(Cl)cc1F ZINC000133773812 341186572 /nfs/dbraw/zinc/18/65/72/341186572.db2.gz QZPVJMIEQSUPRC-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM CCc1cccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c1[O-] ZINC000547143318 341197903 /nfs/dbraw/zinc/19/79/03/341197903.db2.gz JVITZDFXCAKGGZ-GFCCVEGCSA-N -1 3 310.353 4.145 20 0 DIADHM CCc1cccc(-c2nc([C@H](C)c3cccs3)no2)c1[O-] ZINC000547159303 341198753 /nfs/dbraw/zinc/19/87/53/341198753.db2.gz IFPDCHDKWXOJGN-SNVBAGLBSA-N -1 3 300.383 4.218 20 0 DIADHM O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc([O-])cc1F ZINC000547810735 341233885 /nfs/dbraw/zinc/23/38/85/341233885.db2.gz SJNLOSDLYUYZPJ-UHFFFAOYSA-N -1 3 324.355 4.098 20 0 DIADHM [O-]c1ccc(Br)c(CNc2cccc3cc[nH]c32)c1 ZINC000548150752 341249574 /nfs/dbraw/zinc/24/95/74/341249574.db2.gz FJDJBNSAPOMMIK-UHFFFAOYSA-N -1 3 317.186 4.248 20 0 DIADHM CC(C)Oc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)cc1 ZINC000136178551 341254342 /nfs/dbraw/zinc/25/43/42/341254342.db2.gz KWUIIHXBIXNXEF-UHFFFAOYSA-N -1 3 319.788 4.014 20 0 DIADHM C[C@H](C1CCCCC1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000549165504 341287714 /nfs/dbraw/zinc/28/77/14/341287714.db2.gz KVZLKVKASBWMAU-CQSZACIVSA-N -1 3 321.436 4.281 20 0 DIADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2C(F)(F)F)c2ccccc21 ZINC000549625353 341299361 /nfs/dbraw/zinc/29/93/61/341299361.db2.gz LGLFVNRZQQRCKJ-JTQLQIEISA-N -1 3 321.298 4.175 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C\c3cscn3)n2)c2ccccc12 ZINC000551256803 341335676 /nfs/dbraw/zinc/33/56/76/341335676.db2.gz 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CCSc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000192732583 341884898 /nfs/dbraw/zinc/88/48/98/341884898.db2.gz KNGFFTGDFZPIBM-QWHCGFSZSA-N -1 3 317.458 4.014 20 0 DIADHM CO[C@](C)(c1noc(-c2cc3cc(Cl)sc3[n-]2)n1)C1CC1 ZINC000577250935 341900202 /nfs/dbraw/zinc/90/02/02/341900202.db2.gz NSWLNPKOEWREAT-AWEZNQCLSA-N -1 3 323.805 4.204 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)c([O-])c1 ZINC000178088789 341944085 /nfs/dbraw/zinc/94/40/85/341944085.db2.gz ZPKOARWUPVNFLZ-UHFFFAOYSA-N -1 3 309.321 4.338 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H]2CCSc3ccc(Cl)cc32)n1 ZINC000112716453 525351826 /nfs/dbraw/zinc/35/18/26/525351826.db2.gz BQGSMGMOIJZILO-CYBMUJFWSA-N -1 3 320.845 4.076 20 0 DIADHM CSCc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000339816701 525734516 /nfs/dbraw/zinc/73/45/16/525734516.db2.gz LHSNMZLWIOBSFR-UHFFFAOYSA-N -1 3 307.802 4.161 20 0 DIADHM Cc1cnc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)cn1 ZINC000104483172 525975116 /nfs/dbraw/zinc/97/51/16/525975116.db2.gz RJIYDPOVBVTXBG-UHFFFAOYSA-N -1 3 321.833 4.191 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1Cl ZINC000339205952 526361363 /nfs/dbraw/zinc/36/13/63/526361363.db2.gz NGAAZAHTQZEMSD-CQSZACIVSA-N -1 3 321.779 4.188 20 0 DIADHM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1ccsc1Cl ZINC000364741345 526855371 /nfs/dbraw/zinc/85/53/71/526855371.db2.gz VBPYMVXTMFGACD-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CCc1nc(Cl)c(Nc2cccc([O-])c2Cl)c(Cl)n1 ZINC001210853847 1050392063 /nfs/dbraw/zinc/39/20/63/1050392063.db2.gz MQXPWCJBSGBVSY-UHFFFAOYSA-N -1 3 318.591 4.448 20 0 DIADHM CC1(C)CC(Oc2c(Cl)ccc([O-])c2F)CC(C)(C)O1 ZINC001234263371 1051596534 /nfs/dbraw/zinc/59/65/34/1051596534.db2.gz YPKNUOPKPXLKSG-UHFFFAOYSA-N -1 3 302.773 4.300 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000579772719 1035580130 /nfs/dbraw/zinc/58/01/30/1035580130.db2.gz KPZBJEQKWLRXDQ-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc2cc(CNCc3cccc(C(=O)[O-])c3)oc2cc1C ZINC000683176838 1035665548 /nfs/dbraw/zinc/66/55/48/1035665548.db2.gz 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/nfs/dbraw/zinc/54/05/06/1036540506.db2.gz WHERPWBQXPWZNW-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000628066145 1036547021 /nfs/dbraw/zinc/54/70/21/1036547021.db2.gz ROLUSLGTZZJAOT-KRWDZBQOSA-N -1 3 311.381 4.051 20 0 DIADHM CCc1noc(C)c1-c1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000683607677 1036556459 /nfs/dbraw/zinc/55/64/59/1036556459.db2.gz XRXZRIPNXKQYML-UHFFFAOYSA-N -1 3 321.336 4.121 20 0 DIADHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622710116 1036924991 /nfs/dbraw/zinc/92/49/91/1036924991.db2.gz WAYVMCDCVPMBHY-OAHLLOKOSA-N -1 3 323.436 4.244 20 0 DIADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000129507486 1036943812 /nfs/dbraw/zinc/94/38/12/1036943812.db2.gz ZQFRPJDMYYLHFU-ZYHUDNBSSA-N -1 3 324.405 4.263 20 0 DIADHM Cc1nc(Cl)nc(Cl)c1Nc1cccc([O-])c1Cl ZINC001210851502 1037011229 /nfs/dbraw/zinc/01/12/29/1037011229.db2.gz ABBDADRABRGEAB-UHFFFAOYSA-N -1 3 304.564 4.194 20 0 DIADHM Cc1cccc(NC(=O)c2c(C)cccc2[O-])c1Br ZINC000706621496 1037214393 /nfs/dbraw/zinc/21/43/93/1037214393.db2.gz GQWAHBRCQPLOEZ-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM [O-]c1cccc(Nc2ccc(Cl)c(CO)c2F)c1Cl ZINC001215608780 1037441023 /nfs/dbraw/zinc/44/10/23/1037441023.db2.gz NVGNQRCEBNCBSU-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(COC)cs2)CC)n1 ZINC000656614137 1037701083 /nfs/dbraw/zinc/70/10/83/1037701083.db2.gz VOGXJOMMNLCDEH-JYRVWZFOSA-N -1 3 318.442 4.293 20 0 DIADHM O=C([O-])c1cccc(Cl)c1CN1CCC(C2CCC2)CC1 ZINC000656760386 1037841162 /nfs/dbraw/zinc/84/11/62/1037841162.db2.gz SWSUIHOBLFZXPO-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM CC(C)c1csc2[n-]c(CO[C@@H]3CCCC[C@H]3C)nc(=O)c12 ZINC000069980181 1038012000 /nfs/dbraw/zinc/01/20/00/1038012000.db2.gz CIKCIQMDUOPNTB-DGCLKSJQSA-N -1 3 320.458 4.203 20 0 DIADHM CC(C)c1ccoc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000341480539 1038062714 /nfs/dbraw/zinc/06/27/14/1038062714.db2.gz MOPKTRJVRFHRBI-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DIADHM Cc1oc([C@H](C)N2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000514731440 1038341915 /nfs/dbraw/zinc/34/19/15/1038341915.db2.gz WSRZBHPDLZIGTK-GXFFZTMASA-N -1 3 305.399 4.246 20 0 DIADHM O=C(c1ccc([O-])cc1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC000604041197 1038344637 /nfs/dbraw/zinc/34/46/37/1038344637.db2.gz LGXYXJOBIUETSU-QPJJXVBHSA-N -1 3 321.420 4.000 20 0 DIADHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000014255286 1038538081 /nfs/dbraw/zinc/53/80/81/1038538081.db2.gz BOPRBUITJDVPFT-ZDUSSCGKSA-N -1 3 303.427 4.309 20 0 DIADHM CCCc1ncc(C(=O)[N-]c2nnc(C(CC)CC)s2)s1 ZINC000152124168 1038573491 /nfs/dbraw/zinc/57/34/91/1038573491.db2.gz IEKNIUFGVADKLR-UHFFFAOYSA-N -1 3 324.475 4.103 20 0 DIADHM CC(C)[C@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606536988 1038613073 /nfs/dbraw/zinc/61/30/73/1038613073.db2.gz OYIARPIFTWDEMD-HNNXBMFYSA-N -1 3 307.409 4.000 20 0 DIADHM CCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000606669822 1038619229 /nfs/dbraw/zinc/61/92/29/1038619229.db2.gz 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/nfs/dbraw/zinc/98/89/25/1038988925.db2.gz NIKMYALJCXQQHO-UHFFFAOYSA-N -1 3 320.126 4.073 20 0 DIADHM CCC(CC)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000526051524 1039241359 /nfs/dbraw/zinc/24/13/59/1039241359.db2.gz QZIGAWIULSAIHO-UHFFFAOYSA-N -1 3 307.409 4.034 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(Cl)c(Cl)cc2O)cc1F ZINC001213384426 1039324039 /nfs/dbraw/zinc/32/40/39/1039324039.db2.gz LVZBTCUMMMRAOE-UHFFFAOYSA-N -1 3 306.095 4.426 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1[O-] ZINC000539847078 1039365801 /nfs/dbraw/zinc/36/58/01/1039365801.db2.gz KKKZZQPOVKHOEL-KRWDZBQOSA-N -1 3 313.372 4.071 20 0 DIADHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000565101280 1039581507 /nfs/dbraw/zinc/58/15/07/1039581507.db2.gz DMDTWIPYRHBSTJ-ZBFHGGJFSA-N -1 3 301.411 4.019 20 0 DIADHM [O-]c1cccc(Cl)c1CNc1cccc(-c2ncco2)c1 ZINC000160288822 1039729748 /nfs/dbraw/zinc/72/97/48/1039729748.db2.gz FNFWVQULVCNGRU-UHFFFAOYSA-N -1 3 300.745 4.313 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1[O-] ZINC000541891391 1039757681 /nfs/dbraw/zinc/75/76/81/1039757681.db2.gz WKFGCUURBSRDJH-HWOXTHGCSA-N -1 3 321.420 4.273 20 0 DIADHM O=C([N-]c1ccc(Cl)cc1F)c1c(F)c(F)cc(F)c1F ZINC000177459657 1040121989 /nfs/dbraw/zinc/12/19/89/1040121989.db2.gz DAIMHHUCOHXJEL-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM CC(C)CCc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000648215875 1040471691 /nfs/dbraw/zinc/47/16/91/1040471691.db2.gz GSSUSVKLZKCQNO-UHFFFAOYSA-N -1 3 315.388 4.301 20 0 DIADHM CN(CCCCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC000584320895 1040514932 /nfs/dbraw/zinc/51/49/32/1040514932.db2.gz RCRRWDPTTMOPMT-UHFFFAOYSA-N -1 3 317.816 4.141 20 0 DIADHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1cc([O-])ccc1Cl ZINC000685760826 1040548803 /nfs/dbraw/zinc/54/88/03/1040548803.db2.gz RQVONYLXWCWRHI-KRWDZBQOSA-N -1 3 315.800 4.317 20 0 DIADHM O=C(OCc1csc(C2CC2)n1)c1cc(Cl)c(Cl)[n-]1 ZINC000782627851 1040666528 /nfs/dbraw/zinc/66/65/28/1040666528.db2.gz KZZATZLGXBONDP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/51/29/07/1041512907.db2.gz UQHGNXYTCDINMI-UHFFFAOYSA-N -1 3 313.806 4.045 20 0 DIADHM O=C(CC(Cc1ccccc1)Cc1ccccc1)[N-]OC1CCC1 ZINC000812794823 1041652168 /nfs/dbraw/zinc/65/21/68/1041652168.db2.gz QQTSTOSZPKKSCJ-UHFFFAOYSA-N -1 3 323.436 4.078 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(C)(C)c1ccccc1 ZINC000584810257 1041680053 /nfs/dbraw/zinc/68/00/53/1041680053.db2.gz IDAAHHYATVXBMI-GFCCVEGCSA-N -1 3 317.816 4.142 20 0 DIADHM C[C@H](CCCCC(=O)[O-])NCc1csc(Cl)c1Cl ZINC000417544822 1041680722 /nfs/dbraw/zinc/68/07/22/1041680722.db2.gz HYTXJCNIPOHSAI-MRVPVSSYSA-N -1 3 310.246 4.178 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1ccccc1OC[C@H]1CCOC1 ZINC000623048574 1041736365 /nfs/dbraw/zinc/73/63/65/1041736365.db2.gz BYJXPHYMJMVGCG-LBPRGKRZSA-N -1 3 304.773 4.128 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCc2cccnc2)s1 ZINC000027775106 1041777785 /nfs/dbraw/zinc/77/77/85/1041777785.db2.gz MPPKHCYTIJKFHS-UHFFFAOYSA-N -1 3 318.402 4.108 20 0 DIADHM Cc1nc2cc(CNc3ccc4c(c3)[N-]C(=S)C4)ccc2o1 ZINC001167761547 1041792564 /nfs/dbraw/zinc/79/25/64/1041792564.db2.gz YRDFQTJIGSKAJE-UHFFFAOYSA-N -1 3 309.394 4.044 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000194783365 1041793702 /nfs/dbraw/zinc/79/37/02/1041793702.db2.gz HKJWFTXCMXDQKI-UHFFFAOYSA-N -1 3 322.459 4.028 20 0 DIADHM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210171 1041814826 /nfs/dbraw/zinc/81/48/26/1041814826.db2.gz FPYZINOLJDCJCU-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM CC(C)[C@@H]([N-]c1nnc(C(F)F)o1)c1ccc(Cl)cc1F ZINC000432171343 1041836691 /nfs/dbraw/zinc/83/66/91/1041836691.db2.gz CNDQBRUEYNQYPD-SNVBAGLBSA-N -1 3 319.714 4.609 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000557182299 1041869111 /nfs/dbraw/zinc/86/91/11/1041869111.db2.gz PNRFLZZKQCDZDZ-WDEREUQCSA-N -1 3 322.191 4.441 20 0 DIADHM CC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000815513831 1041960804 /nfs/dbraw/zinc/96/08/04/1041960804.db2.gz VYWSWSABUNQUEO-QGZVFWFLSA-N -1 3 303.789 4.101 20 0 DIADHM CCCOc1ccc(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001138014770 1041970265 /nfs/dbraw/zinc/97/02/65/1041970265.db2.gz BHYBURDZEKLKNF-UHFFFAOYSA-N -1 3 323.751 4.226 20 0 DIADHM Cc1scc(CNC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC001170809510 1042019115 /nfs/dbraw/zinc/01/91/15/1042019115.db2.gz ZATUDAZHJMIVGK-UHFFFAOYSA-N -1 3 311.406 4.154 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)c1 ZINC000048653794 1042019690 /nfs/dbraw/zinc/01/96/90/1042019690.db2.gz IPTYBURNKODIIZ-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM CCN(Cc1ccoc1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000652400811 1042037824 /nfs/dbraw/zinc/03/78/24/1042037824.db2.gz SYVUKQNTHUKQFO-LBPRGKRZSA-N -1 3 313.353 4.307 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(-c2ccccc2)cc1 ZINC001135577901 1042054665 /nfs/dbraw/zinc/05/46/65/1042054665.db2.gz DPVRRYIAQSHVGU-UHFFFAOYSA-N -1 3 321.351 4.380 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc(OCC3CC3)cc2)c1F ZINC000816523301 1042064587 /nfs/dbraw/zinc/06/45/87/1042064587.db2.gz LKXWFTUNVRKCIN-UHFFFAOYSA-N -1 3 305.324 4.071 20 0 DIADHM CC[C@H](C)Oc1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000816523126 1042065008 /nfs/dbraw/zinc/06/50/08/1042065008.db2.gz DLKRBJQJPDFXGW-NSHDSACASA-N -1 3 307.340 4.460 20 0 DIADHM COc1ccc(NCc2c(F)ccc([O-])c2F)cc1OC(C)C ZINC000816569627 1042070108 /nfs/dbraw/zinc/07/01/08/1042070108.db2.gz RTTJFXZOUDTGMA-UHFFFAOYSA-N -1 3 323.339 4.078 20 0 DIADHM CCCCc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001135653602 1042074900 /nfs/dbraw/zinc/07/49/00/1042074900.db2.gz AEXQCUZTWNMAMH-UHFFFAOYSA-N -1 3 311.381 4.190 20 0 DIADHM CC(F)(F)C(=O)[N-][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000816747790 1042080225 /nfs/dbraw/zinc/08/02/25/1042080225.db2.gz ARKZAPGLLFLSTO-NSHDSACASA-N -1 3 308.155 4.216 20 0 DIADHM CC(C)[C@H]1N(C(=O)c2cc3sccc3c([O-])c2)CC1(C)C ZINC000817219613 1042098868 /nfs/dbraw/zinc/09/88/68/1042098868.db2.gz FNZOCUUNRNWYHF-OAHLLOKOSA-N -1 3 303.427 4.114 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])cc2)cs1 ZINC001135986689 1042123600 /nfs/dbraw/zinc/12/36/00/1042123600.db2.gz ILBBCLVNXPKVRL-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2cccc(Cl)c2)c([O-])c1 ZINC001136043390 1042128267 /nfs/dbraw/zinc/12/82/67/1042128267.db2.gz BYSRAHIYXUDARS-UHFFFAOYSA-N -1 3 303.789 4.099 20 0 DIADHM O=C(c1ccc([O-])cc1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC000604041196 1042170759 /nfs/dbraw/zinc/17/07/59/1042170759.db2.gz LGXYXJOBIUETSU-DAXSKMNVSA-N -1 3 321.420 4.000 20 0 DIADHM O=C(OCC1CCSCC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810604396 1042205413 /nfs/dbraw/zinc/20/54/13/1042205413.db2.gz QYULBWHANWLLHG-UHFFFAOYSA-N -1 3 315.847 4.183 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3c(C)cccc3[O-])c2)oc1C ZINC001136331071 1042212334 /nfs/dbraw/zinc/21/23/34/1042212334.db2.gz IAJWHXQAWXLJOQ-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CCOc1c(Cl)cccc1NC(=O)c1ccc(CC)cc1[O-] ZINC001136410222 1042240584 /nfs/dbraw/zinc/24/05/84/1042240584.db2.gz PVLVTIIKWXVYFQ-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CC[C@H](NC(=O)c1cc(SC)ccc1[O-])C1CCCCC1 ZINC001136519779 1042268742 /nfs/dbraw/zinc/26/87/42/1042268742.db2.gz FDCVXHPYVCEYOU-HNNXBMFYSA-N -1 3 307.459 4.203 20 0 DIADHM Cc1ccccc1C1(CNC(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC001136548151 1042275292 /nfs/dbraw/zinc/27/52/92/1042275292.db2.gz YQQXQAGGQJSLKC-UHFFFAOYSA-N -1 3 323.436 4.286 20 0 DIADHM Nc1nc2cc(Nc3c(Cl)ccc([O-])c3F)ccc2s1 ZINC001160004992 1042278325 /nfs/dbraw/zinc/27/83/25/1042278325.db2.gz DMBBIORPDVFCIT-UHFFFAOYSA-N -1 3 309.753 4.120 20 0 DIADHM CCCCC1CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606657958 1042293134 /nfs/dbraw/zinc/29/31/34/1042293134.db2.gz GYDZALSXQCMYIR-UHFFFAOYSA-N -1 3 322.424 4.080 20 0 DIADHM C[C@H]1Cc2ccccc2N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001136677980 1042312787 /nfs/dbraw/zinc/31/27/87/1042312787.db2.gz KKDDSOLNWONISH-LBPRGKRZSA-N -1 3 323.417 4.446 20 0 DIADHM CC(C)(C)O[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000152114275 1042417191 /nfs/dbraw/zinc/41/71/91/1042417191.db2.gz RVFFWGMRZCLRLX-INIZCTEOSA-N -1 3 317.360 4.026 20 0 DIADHM CC(C)OCc1ccccc1CNCc1cccc([O-])c1Cl ZINC000645146082 1042438898 /nfs/dbraw/zinc/43/88/98/1042438898.db2.gz NBXOUTQBFNHHHW-UHFFFAOYSA-N -1 3 319.832 4.260 20 0 DIADHM Cc1cc2cc(CNCc3cccc([O-])c3Cl)ccc2[nH]1 ZINC000645181669 1042457980 /nfs/dbraw/zinc/45/79/80/1042457980.db2.gz YZEZPLFABFVZIE-UHFFFAOYSA-N -1 3 300.789 4.125 20 0 DIADHM [O-]c1ccc(F)c(CNCc2ccc(C3CCC3)cc2)c1F ZINC000513233566 1042530622 /nfs/dbraw/zinc/53/06/22/1042530622.db2.gz YYWPXGBWNFDMOM-UHFFFAOYSA-N -1 3 303.352 4.228 20 0 DIADHM O=c1cc(CSCCCCC(F)(F)F)nc(C2CC2)[n-]1 ZINC000419443379 1042582576 /nfs/dbraw/zinc/58/25/76/1042582576.db2.gz LRALEVGLJICALN-UHFFFAOYSA-N -1 3 306.353 4.025 20 0 DIADHM COCCC1(c2noc(-c3cc4ccccc4cc3[O-])n2)CCC1 ZINC000420515256 1042605512 /nfs/dbraw/zinc/60/55/12/1042605512.db2.gz QISJRNJPYUOMPZ-UHFFFAOYSA-N -1 3 324.380 4.054 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C)c1 ZINC000007053606 1042885504 /nfs/dbraw/zinc/88/55/04/1042885504.db2.gz OXCSBZPSFLTLSC-UHFFFAOYSA-N -1 3 311.406 4.257 20 0 DIADHM CC(C)CCN(CCC(C)C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000519233680 1042939779 /nfs/dbraw/zinc/93/97/79/1042939779.db2.gz PGRQBLBSXBOIPU-UHFFFAOYSA-N -1 3 324.440 4.135 20 0 DIADHM O=[S@](Cc1ccc(-c2ccccc2)cc1)c1ccc([O-])cc1 ZINC000519415510 1042948140 /nfs/dbraw/zinc/94/81/40/1042948140.db2.gz NZSNTJURIAYGKA-JOCHJYFZSA-N -1 3 308.402 4.367 20 0 DIADHM O=C(NCc1ccc(C2CCC2)cc1)c1cc([O-])ccc1Cl ZINC000507136595 1042981909 /nfs/dbraw/zinc/98/19/09/1042981909.db2.gz ZVQOYKQCRGTDHA-UHFFFAOYSA-N -1 3 315.800 4.243 20 0 DIADHM CCN(Cc1ccc2ccccc2c1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000519800853 1043003333 /nfs/dbraw/zinc/00/33/33/1043003333.db2.gz VBUCQTZVLYHINX-OAHLLOKOSA-N -1 3 321.424 4.227 20 0 DIADHM CCN(Cc1ccc2ccccc2c1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000519800843 1043003599 /nfs/dbraw/zinc/00/35/99/1043003599.db2.gz VBUCQTZVLYHINX-HNNXBMFYSA-N -1 3 321.424 4.227 20 0 DIADHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189743473 1043166233 /nfs/dbraw/zinc/16/62/33/1043166233.db2.gz CDVJOBBARFHGQY-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM CCc1ccc(-c2nc(C(C)(C)c3ccc(C)cn3)no2)c([O-])c1 ZINC000665081166 1043186756 /nfs/dbraw/zinc/18/67/56/1043186756.db2.gz CIKBNRBHVLAIFO-UHFFFAOYSA-N -1 3 323.396 4.034 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)C(C)(C)c2ccccc2)c1 ZINC000614591342 1043224272 /nfs/dbraw/zinc/22/42/72/1043224272.db2.gz JAKUUJHBAZAWJM-UHFFFAOYSA-N -1 3 315.438 4.121 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cc3ccccc3s2)n1 ZINC000192781132 1043274265 /nfs/dbraw/zinc/27/42/65/1043274265.db2.gz LQYWIMDMWWTSLG-NWDGAFQWSA-N -1 3 313.426 4.117 20 0 DIADHM COc1ccc2occ(C(=O)Nc3ccc(Cl)cc3[O-])c2c1 ZINC000442564866 1043396648 /nfs/dbraw/zinc/39/66/48/1043396648.db2.gz GGBWFHQGYKXXAO-UHFFFAOYSA-N -1 3 317.728 4.053 20 0 DIADHM Cc1ccsc1CN[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000871883601 1043413845 /nfs/dbraw/zinc/41/38/45/1043413845.db2.gz SMHUDSXUNVLWOZ-ZDUSSCGKSA-N -1 3 309.818 4.016 20 0 DIADHM C[C@@H](N[C@H]1CCCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872027708 1043422908 /nfs/dbraw/zinc/42/29/08/1043422908.db2.gz LPPVULMXNNKFJV-ABAIWWIYSA-N -1 3 319.351 4.235 20 0 DIADHM C[C@H](N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc([O-])c1F ZINC000872027285 1043424224 /nfs/dbraw/zinc/42/42/24/1043424224.db2.gz CQPGULYNCZRXOT-BOFPYLFWSA-N -1 3 315.388 4.102 20 0 DIADHM COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872024396 1043424622 /nfs/dbraw/zinc/42/46/22/1043424622.db2.gz AGCHUWBHGZQBRZ-WDEREUQCSA-N -1 3 307.340 4.091 20 0 DIADHM C[C@@H](N[C@@H]1CCCOc2ccc(F)cc21)c1cccc([O-])c1F ZINC000872027714 1043424722 /nfs/dbraw/zinc/42/47/22/1043424722.db2.gz LPPVULMXNNKFJV-IAQYHMDHSA-N -1 3 319.351 4.235 20 0 DIADHM CCOc1cccc([C@H](C)N[C@@H](C)c2cccc([O-])c2F)c1 ZINC000872030050 1043425444 /nfs/dbraw/zinc/42/54/44/1043425444.db2.gz YCMCJEYOVCFWDC-STQMWFEESA-N -1 3 303.377 4.342 20 0 DIADHM C[C@@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cccc([O-])c1F ZINC000872029173 1043426797 /nfs/dbraw/zinc/42/67/97/1043426797.db2.gz WJXZXEHCWZOBCP-QMTHXVAHSA-N -1 3 321.779 4.359 20 0 DIADHM Cc1cccnc1[C@H](N[C@@H](C)c1cccc([O-])c1F)C(C)C ZINC000872033901 1043428117 /nfs/dbraw/zinc/42/81/17/1043428117.db2.gz HIGMEOQAXJDNKI-SUMWQHHRSA-N -1 3 302.393 4.283 20 0 DIADHM CC(C)COC[C@H](N[C@H](C)c1cccc([O-])c1F)c1ccco1 ZINC000872031954 1043429279 /nfs/dbraw/zinc/42/92/79/1043429279.db2.gz VYOHPXHCXLUQOM-HIFRSBDPSA-N -1 3 321.392 4.189 20 0 DIADHM CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1cccc([O-])c1F ZINC000872047077 1043435694 /nfs/dbraw/zinc/43/56/94/1043435694.db2.gz PDLYHZZAZKUYNU-WBMJQRKESA-N -1 3 315.388 4.268 20 0 DIADHM CCCCCn1cc(CN[C@H](C)c2cccc([O-])c2F)c(C)n1 ZINC000872053063 1043437105 /nfs/dbraw/zinc/43/71/05/1043437105.db2.gz HKKISHGVKQRKQG-CQSZACIVSA-N -1 3 319.424 4.077 20 0 DIADHM COc1cccc(Cl)c1CN[C@H](C)c1cccc([O-])c1F ZINC000872067061 1043447790 /nfs/dbraw/zinc/44/77/90/1043447790.db2.gz USNMNCHZAFJQKS-SNVBAGLBSA-N -1 3 309.768 4.044 20 0 DIADHM C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc([O-])c1F ZINC000872074556 1043449217 /nfs/dbraw/zinc/44/92/17/1043449217.db2.gz YFYYAQFYKZWRFL-OCCSQVGLSA-N -1 3 301.361 4.208 20 0 DIADHM C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1cccc([O-])c1F ZINC000872072740 1043449826 /nfs/dbraw/zinc/44/98/26/1043449826.db2.gz JETDILKZQPQAIY-LLVKDONJSA-N -1 3 309.331 4.494 20 0 DIADHM C[C@H](NCc1ccc(C(F)(F)F)s1)c1cccc([O-])c1F ZINC000872106384 1043461246 /nfs/dbraw/zinc/46/12/46/1043461246.db2.gz FYNQHFBWIZDKDZ-QMMMGPOBSA-N -1 3 319.323 4.462 20 0 DIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(c2cccc(F)c2)CC1 ZINC000872166376 1043484340 /nfs/dbraw/zinc/48/43/40/1043484340.db2.gz WASXFEVVCCFXFF-LBPRGKRZSA-N -1 3 317.360 4.058 20 0 DIADHM CC[C@@H](C)n1ncc(NCc2cc([O-])cc(F)c2)c1C1CC1 ZINC000349699194 1043518848 /nfs/dbraw/zinc/51/88/48/1043518848.db2.gz GSAYLABYNUIPEG-LLVKDONJSA-N -1 3 303.381 4.188 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001299416771 1043567080 /nfs/dbraw/zinc/56/70/80/1043567080.db2.gz OTDGMDIFFDIHHX-DZKIICNBSA-N -1 3 303.446 4.460 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001299416774 1043567109 /nfs/dbraw/zinc/56/71/09/1043567109.db2.gz OTDGMDIFFDIHHX-YCPHGPKFSA-N -1 3 303.446 4.460 20 0 DIADHM C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cc([O-])cc(F)c1 ZINC000926493950 1043587068 /nfs/dbraw/zinc/58/70/68/1043587068.db2.gz YPYLUTIRLXWJFK-JSGCOSHPSA-N -1 3 301.361 4.208 20 0 DIADHM C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cc([O-])cc(F)c1 ZINC000926493953 1043587396 /nfs/dbraw/zinc/58/73/96/1043587396.db2.gz YPYLUTIRLXWJFK-OCCSQVGLSA-N -1 3 301.361 4.208 20 0 DIADHM FC(F)c1nnc([N-][C@H]2CCc3cccc4cccc2c43)o1 ZINC000895260990 1043596416 /nfs/dbraw/zinc/59/64/16/1043596416.db2.gz NLPAVKIVTZWXJV-LBPRGKRZSA-N -1 3 301.296 4.260 20 0 DIADHM Cc1ccc2c(c1)[C@H](NCc1c(F)ccc([O-])c1F)CCC2 ZINC000353529645 1043613244 /nfs/dbraw/zinc/61/32/44/1043613244.db2.gz JZYRZKIZPVYBIY-MRXNPFEDSA-N -1 3 303.352 4.146 20 0 DIADHM CCC(=O)N(C)c1ccc(N[C@@H](C)c2cc([O-])cc(F)c2)cc1 ZINC000926850869 1043642091 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CC(C)(C)SCCSCc1nnc(-c2ccccc2[O-])o1 ZINC000882160664 1044154417 /nfs/dbraw/zinc/15/44/17/1044154417.db2.gz SUSOXRAGJBLZOJ-UHFFFAOYSA-N -1 3 324.471 4.207 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000882246177 1044162883 /nfs/dbraw/zinc/16/28/83/1044162883.db2.gz PLIGYICJDWSDLU-UPJWGTAASA-N -1 3 316.426 4.112 20 0 DIADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001626144965 1044207729 /nfs/dbraw/zinc/20/77/29/1044207729.db2.gz PUCUAOHYCHEFAR-IEBWSBKVSA-N -1 3 323.436 4.147 20 0 DIADHM CCN(CCc1ccccc1C(=O)[O-])Cc1ccccc1Cl ZINC000563277632 1044239969 /nfs/dbraw/zinc/23/99/69/1044239969.db2.gz JMHDMLATOIQJSI-UHFFFAOYSA-N -1 3 317.816 4.103 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCCOc3cc(F)ccc32)c1Cl ZINC000293187516 1044257262 /nfs/dbraw/zinc/25/72/62/1044257262.db2.gz HSTVJFZLIHTBEA-CQSZACIVSA-N -1 3 321.779 4.188 20 0 DIADHM COc1ccccc1C(C)(C)NCc1cccc([O-])c1Cl ZINC000293433147 1044283323 /nfs/dbraw/zinc/28/33/23/1044283323.db2.gz BIMQEMJWNPPBNH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/44/53/42/1044445342.db2.gz AVCPYXBLWMIFKA-UHFFFAOYSA-N -1 3 312.703 4.276 20 0 DIADHM COCc1ccc([C@H]2CCCN2Cc2cccc([O-])c2Cl)o1 ZINC000294828705 1044462677 /nfs/dbraw/zinc/46/26/77/1044462677.db2.gz YHJNBOHLMNJQHA-CQSZACIVSA-N -1 3 321.804 4.122 20 0 DIADHM CC(=O)c1ccc(C(=O)[N-]c2ccccc2SC(C)C)o1 ZINC000362795963 1044551185 /nfs/dbraw/zinc/55/11/85/1044551185.db2.gz SQHOPTUJGFTHRM-UHFFFAOYSA-N -1 3 303.383 4.235 20 0 DIADHM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000568061109 1044598786 /nfs/dbraw/zinc/59/87/86/1044598786.db2.gz ZFRKXUUBWGHYMT-UHFFFAOYSA-N -1 3 309.818 4.040 20 0 DIADHM CN(CCc1ccc(Cl)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000568788066 1044651059 /nfs/dbraw/zinc/65/10/59/1044651059.db2.gz XGBOOVHAGCNWTI-UHFFFAOYSA-N -1 3 324.207 4.014 20 0 DIADHM O=c1[n-]c(Oc2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000139188941 1044717316 /nfs/dbraw/zinc/71/73/16/1044717316.db2.gz FPZFKZNFZFUMKH-UHFFFAOYSA-N -1 3 314.344 4.382 20 0 DIADHM Cc1ccc(COc2ncc(Cl)cc2[O-])c(OC(C)C)c1 ZINC001227982644 1044761938 /nfs/dbraw/zinc/76/19/38/1044761938.db2.gz FXZBXJLGAHPYJW-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM Cc1oc(NC(=O)c2cc3sccc3c([O-])c2)nc1C1CC1 ZINC000887241050 1044762862 /nfs/dbraw/zinc/76/28/62/1044762862.db2.gz BMCJFJHDNRNFKO-UHFFFAOYSA-N -1 3 314.366 4.033 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCC3)c3ccccc32)c1[O-] ZINC000570748254 1044779449 /nfs/dbraw/zinc/77/94/49/1044779449.db2.gz FCTSVCBOMUVCOD-UHFFFAOYSA-N -1 3 307.393 4.037 20 0 DIADHM CC[C@H](OC1CCCCC1)C(=O)Nc1c([O-])cccc1Cl ZINC000571342948 1044809062 /nfs/dbraw/zinc/80/90/62/1044809062.db2.gz OFDTVRYXBVQONC-AWEZNQCLSA-N -1 3 311.809 4.112 20 0 DIADHM Cc1ccc(-c2nc(C(C)(C)Cc3ccccc3)no2)c([O-])c1 ZINC000445800194 1044821007 /nfs/dbraw/zinc/82/10/07/1044821007.db2.gz VCXTZXKHUODJCY-UHFFFAOYSA-N -1 3 308.381 4.271 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1sccc1C(F)F ZINC000928781696 1044957162 /nfs/dbraw/zinc/95/71/62/1044957162.db2.gz WIIWUHHLORGWQF-UHFFFAOYSA-N -1 3 300.330 4.358 20 0 DIADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000575322349 1044995325 /nfs/dbraw/zinc/99/53/25/1044995325.db2.gz BYQZTXJLDQPYGV-BFVZDQMLSA-N -1 3 316.228 4.097 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2cc(Cl)ccc2C)c1 ZINC000576184471 1045040178 /nfs/dbraw/zinc/04/01/78/1045040178.db2.gz LBFHVFXDOYJFMH-UHFFFAOYSA-N -1 3 303.789 4.193 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCSC3(CCC3)CC2)c([O-])c1 ZINC000412456931 1045087670 /nfs/dbraw/zinc/08/76/70/1045087670.db2.gz WJAGWUJVTLHJPW-UHFFFAOYSA-N -1 3 319.470 4.017 20 0 DIADHM CC[C@H](C)Cc1c(C)sc2[n-]c(-c3cscn3)nc(=O)c12 ZINC000577452968 1045124614 /nfs/dbraw/zinc/12/46/14/1045124614.db2.gz VVAOHQZZUPNDDI-QMMMGPOBSA-N -1 3 319.455 4.417 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(O)c2ccccc2c1 ZINC000557182037 1045152836 /nfs/dbraw/zinc/15/28/36/1045152836.db2.gz GSLCATWBCFKXFC-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM Cc1cc(F)cc2[nH]c(C(=O)Nc3c([O-])cccc3Cl)cc21 ZINC000557181392 1045153566 /nfs/dbraw/zinc/15/35/66/1045153566.db2.gz URCCUJISCISMHY-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM O=C(CCc1ccccc1Cl)Nc1c([O-])cccc1Cl ZINC000557181907 1045153720 /nfs/dbraw/zinc/15/37/20/1045153720.db2.gz DQIMMBNLKTULSS-UHFFFAOYSA-N -1 3 310.180 4.270 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(F)ccc1-c1ccoc1 ZINC000527460654 1045226786 /nfs/dbraw/zinc/22/67/86/1045226786.db2.gz CYQMZJQLIFBUBY-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000626945136 1045370116 /nfs/dbraw/zinc/37/01/16/1045370116.db2.gz QDRAADPWJQOGGM-BCDXTJNWSA-N -1 3 321.420 4.251 20 0 DIADHM CC(C)c1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC000517340237 1045435633 /nfs/dbraw/zinc/43/56/33/1045435633.db2.gz VDMTZZYHYBVTDM-UHFFFAOYSA-N -1 3 309.441 4.190 20 0 DIADHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001142234425 1045506835 /nfs/dbraw/zinc/50/68/35/1045506835.db2.gz YDGIPGBDTVJMLY-STQMWFEESA-N -1 3 309.837 4.382 20 0 DIADHM CC(C)Oc1ccccc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000390924348 1045585106 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Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1C ZINC000530917388 1045748342 /nfs/dbraw/zinc/74/83/42/1045748342.db2.gz BQJXDRXDKOWUJE-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1cc(C)cc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000530917496 1045749028 /nfs/dbraw/zinc/74/90/28/1045749028.db2.gz OJGFVFXUSKVWMQ-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C2CC2)c1 ZINC000452190318 1045780223 /nfs/dbraw/zinc/78/02/23/1045780223.db2.gz YMUSZEXQMVCOGS-LLVKDONJSA-N -1 3 315.800 4.414 20 0 DIADHM C[C@@H](NC1CCC2(CCCCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000901908205 1045870082 /nfs/dbraw/zinc/87/00/82/1045870082.db2.gz QNGMWPPPBBPXHA-GFCCVEGCSA-N -1 3 322.474 4.385 20 0 DIADHM C[C@@H](CCC1CCCCC1)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901913585 1045872213 /nfs/dbraw/zinc/87/22/13/1045872213.db2.gz ZGFFPRRUWANHSV-RYUDHWBXSA-N -1 3 310.463 4.241 20 0 DIADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000754497207 1045894114 /nfs/dbraw/zinc/89/41/14/1045894114.db2.gz KWHAULMYWKGDDE-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM CC(C)Sc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902220659 1045947772 /nfs/dbraw/zinc/94/77/72/1045947772.db2.gz HRUQZDURXFTXON-GFCCVEGCSA-N -1 3 319.426 4.329 20 0 DIADHM O=C([O-])c1ccc(CN2CCC(c3cccc(Cl)c3)CC2)o1 ZINC000902342794 1045979958 /nfs/dbraw/zinc/97/99/58/1045979958.db2.gz MBPVFZJXHUFINK-UHFFFAOYSA-N -1 3 319.788 4.011 20 0 DIADHM CCOC(=O)c1ccc(NC(=O)CCCCCC(C)C)c([O-])c1 ZINC001137937972 1046025982 /nfs/dbraw/zinc/02/59/82/1046025982.db2.gz PMFPSRXFGDXOTD-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM CCCN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001138014759 1046055941 /nfs/dbraw/zinc/05/59/41/1046055941.db2.gz AWICCTHYKNVTPG-UHFFFAOYSA-N -1 3 318.804 4.144 20 0 DIADHM O=C([O-])[C@@H](NCc1coc2ccccc12)c1ccc(Cl)cc1 ZINC000756332626 1046065281 /nfs/dbraw/zinc/06/52/81/1046065281.db2.gz KMNLDEGSDGIVJS-INIZCTEOSA-N -1 3 315.756 4.002 20 0 DIADHM COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC001138281563 1046135592 /nfs/dbraw/zinc/13/55/92/1046135592.db2.gz NIWRWOFNRCOVSU-ZIAGYGMSSA-N -1 3 319.445 4.126 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC(C)(C(C)C)CC2)c1 ZINC001138471452 1046192259 /nfs/dbraw/zinc/19/22/59/1046192259.db2.gz RGNACIDTWBVRRT-UHFFFAOYSA-N -1 3 307.459 4.012 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCC(F)CC1 ZINC001168170844 1046245788 /nfs/dbraw/zinc/24/57/88/1046245788.db2.gz OKEQOZKCAPFEAO-FUJMWEONSA-N -1 3 315.388 4.192 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCC(F)CC1 ZINC001168170846 1046246271 /nfs/dbraw/zinc/24/62/71/1046246271.db2.gz OKEQOZKCAPFEAO-VEAWUBTESA-N -1 3 315.388 4.192 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1cc2cccc(Cl)c2o1 ZINC000089396480 1046278471 /nfs/dbraw/zinc/27/84/71/1046278471.db2.gz XWWZIRMOFWVVJN-UHFFFAOYSA-N -1 3 304.733 4.197 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(Cl)cs2)c(F)c1 ZINC000758879180 1046296520 /nfs/dbraw/zinc/29/65/20/1046296520.db2.gz KOHCDUHWSCGHQN-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM CC(C)Oc1ccc([C@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903677516 1046300626 /nfs/dbraw/zinc/30/06/26/1046300626.db2.gz QZBPHYDNMLCBFI-LBPRGKRZSA-N -1 3 319.426 4.084 20 0 DIADHM CC(C)Oc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903677515 1046301868 /nfs/dbraw/zinc/30/18/68/1046301868.db2.gz QZBPHYDNMLCBFI-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM CN(CCC1(C(=O)[O-])CCC1)Cc1ccc(Cl)cc1Cl ZINC000903694165 1046305733 /nfs/dbraw/zinc/30/57/33/1046305733.db2.gz YATMPIVQZPLBPG-UHFFFAOYSA-N -1 3 316.228 4.070 20 0 DIADHM COc1ccc(C)cc1NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001202869838 1046308252 /nfs/dbraw/zinc/30/82/52/1046308252.db2.gz MAGRPFCUUQWNBL-UHFFFAOYSA-N -1 3 306.749 4.007 20 0 DIADHM Cc1ccc(-c2ccc(CN3CCCC[C@H]3C(=O)[O-])s2)cc1 ZINC000263413781 1046316220 /nfs/dbraw/zinc/31/62/20/1046316220.db2.gz MKHHCCICZOZUQP-INIZCTEOSA-N -1 3 315.438 4.163 20 0 DIADHM O=C(/C=C/c1ccc2ccccc2n1)Nc1cc(Cl)ccc1[O-] ZINC000759655661 1046368756 /nfs/dbraw/zinc/36/87/56/1046368756.db2.gz QTWWIHBWJHHXFS-CSKARUKUSA-N -1 3 324.767 4.246 20 0 DIADHM O=C(/C=C\c1ccnc2ccccc12)Nc1ccc(Cl)cc1[O-] ZINC000759698851 1046374361 /nfs/dbraw/zinc/37/43/61/1046374361.db2.gz VIJKTRZGIUWTIR-YVMONPNESA-N -1 3 324.767 4.246 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2NC(C)(C)C)c1 ZINC001139239617 1046416174 /nfs/dbraw/zinc/41/61/74/1046416174.db2.gz WEWDZCSREKQXFY-UHFFFAOYSA-N -1 3 312.413 4.417 20 0 DIADHM C[C@H](Oc1cc(O)cc([O-])c1Br)c1cccs1 ZINC001229098459 1046419347 /nfs/dbraw/zinc/41/93/47/1046419347.db2.gz FRKRYUATZWOBCG-ZETCQYMHSA-N -1 3 315.188 4.062 20 0 DIADHM C[C@@H](Oc1cc(O)cc([O-])c1Br)c1cccs1 ZINC001229098458 1046419506 /nfs/dbraw/zinc/41/95/06/1046419506.db2.gz FRKRYUATZWOBCG-SSDOTTSWSA-N -1 3 315.188 4.062 20 0 DIADHM CC(C)c1ccc(NC(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001202915539 1046421813 /nfs/dbraw/zinc/42/18/13/1046421813.db2.gz ASMPJELCKQJGCF-UHFFFAOYSA-N -1 3 313.279 4.461 20 0 DIADHM COc1ccccc1CO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC001139374688 1046440403 /nfs/dbraw/zinc/44/04/03/1046440403.db2.gz KKTZEZPVZPCCDY-UHFFFAOYSA-N -1 3 319.445 4.240 20 0 DIADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212867 1046474283 /nfs/dbraw/zinc/47/42/83/1046474283.db2.gz VUTOSLMINSBEHC-LLVKDONJSA-N -1 3 311.809 4.112 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1OCC1CC1 ZINC000677212431 1046475075 /nfs/dbraw/zinc/47/50/75/1046475075.db2.gz OKKJUCPFXLWSJY-UHFFFAOYSA-N -1 3 317.772 4.087 20 0 DIADHM CC(C)[C@@H](CNC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001140151663 1046601800 /nfs/dbraw/zinc/60/18/00/1046601800.db2.gz JLYWBKDBGAMZJC-MRXNPFEDSA-N -1 3 317.816 4.215 20 0 DIADHM O=C([O-])c1ccccc1CN1CCC[C@H]1c1ccccc1Cl ZINC001140506623 1046757712 /nfs/dbraw/zinc/75/77/12/1046757712.db2.gz WPIGADIADPUCJD-KRWDZBQOSA-N -1 3 315.800 4.375 20 0 DIADHM CCc1cccc2c1OCC[C@H]2NCc1cccc([O-])c1Cl ZINC000645154320 1046770500 /nfs/dbraw/zinc/77/05/00/1046770500.db2.gz ZPSPODVRSHRGEF-OAHLLOKOSA-N -1 3 317.816 4.221 20 0 DIADHM CCOc1cc(C)ccc1CNCc1cccc([O-])c1Cl ZINC000645161339 1046772000 /nfs/dbraw/zinc/77/20/00/1046772000.db2.gz JAFJCDHWGAUEMS-UHFFFAOYSA-N -1 3 305.805 4.043 20 0 DIADHM [O-]c1ccc(Nc2cc(-c3ccc(F)cc3)no2)c(F)c1F ZINC001212000248 1046794614 /nfs/dbraw/zinc/79/46/14/1046794614.db2.gz VKJLXBGACUNUEL-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3cccc(C)c3[O-])ccc21 ZINC001625982093 1046802852 /nfs/dbraw/zinc/80/28/52/1046802852.db2.gz YSXMYVICFBNWEQ-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM [O-]c1ccc(Nc2ccc(Br)cc2F)c(F)c1F ZINC001212007522 1046813653 /nfs/dbraw/zinc/81/36/53/1046813653.db2.gz LEYOWYWMUUHMQN-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1ccc(Nc2ccc(F)cc2Br)c(F)c1F ZINC001212007527 1046814132 /nfs/dbraw/zinc/81/41/32/1046814132.db2.gz LLYBETMWRAYDFM-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1cc(Br)ccc1Nc1ccc([O-])c(F)c1F ZINC001212007583 1046815933 /nfs/dbraw/zinc/81/59/33/1046815933.db2.gz OSAHDDOLSYGALO-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1ccc(Br)cc1Nc1ccc([O-])c(F)c1F ZINC001212009932 1046819536 /nfs/dbraw/zinc/81/95/36/1046819536.db2.gz ZVLYUEOMPWDQDC-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC(=O)n1ccc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212013744 1046822659 /nfs/dbraw/zinc/82/26/59/1046822659.db2.gz HVMCJQPPKYLORD-UHFFFAOYSA-N -1 3 302.280 4.029 20 0 DIADHM [O-]c1ccc(Nc2c(F)cccc2N2CCCC2)c(F)c1F ZINC001212016245 1046825554 /nfs/dbraw/zinc/82/55/54/1046825554.db2.gz GHHOPMUGKCHVSQ-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM [O-]c1cccc(CN(Cc2ccc(O)cc2)CC2CC2)c1Cl ZINC000646197128 1046874675 /nfs/dbraw/zinc/87/46/75/1046874675.db2.gz WPMVHKGWKAXLPN-UHFFFAOYSA-N -1 3 317.816 4.163 20 0 DIADHM COc1cc(/C=C/C(=O)c2ccccc2C)cc(Cl)c1[O-] ZINC000008322532 1046879937 /nfs/dbraw/zinc/87/99/37/1046879937.db2.gz CDRQQAPPQJYHAU-BQYQJAHWSA-N -1 3 302.757 4.259 20 0 DIADHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646632733 1046915935 /nfs/dbraw/zinc/91/59/35/1046915935.db2.gz MOVWDGOOACMHAL-UHFFFAOYSA-N -1 3 320.270 4.145 20 0 DIADHM CCc1cc2c(CSc3ccccc3)cc(=O)oc2cc1[O-] ZINC000798064967 1046926079 /nfs/dbraw/zinc/92/60/79/1046926079.db2.gz DCLUHSXIBATAJY-UHFFFAOYSA-N -1 3 312.390 4.353 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c([O-])c1 ZINC000647085630 1046941105 /nfs/dbraw/zinc/94/11/05/1046941105.db2.gz KMJVCFSFRXRKME-SFHVURJKSA-N -1 3 324.424 4.134 20 0 DIADHM CCSCc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC001140953677 1046959969 /nfs/dbraw/zinc/95/99/69/1046959969.db2.gz FLFXJGGKBYVPOJ-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM [O-]c1c(F)cc(CN2CCCC[C@@H]2c2ccccc2)cc1F ZINC001140987742 1046970712 /nfs/dbraw/zinc/97/07/12/1046970712.db2.gz BSOUNSVGVBWPLU-QGZVFWFLSA-N -1 3 303.352 4.398 20 0 DIADHM CCN(Cc1cccc(Cl)c1)Cc1cc(F)c([O-])c(F)c1 ZINC001140992201 1046972937 /nfs/dbraw/zinc/97/29/37/1046972937.db2.gz RTZKBSHYNADAQR-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2Cl)s1 ZINC000263421652 1046990374 /nfs/dbraw/zinc/99/03/74/1046990374.db2.gz PCIGRWUUCNVYHU-CQSZACIVSA-N -1 3 321.829 4.118 20 0 DIADHM Cc1nnc(-c2ccc(Nc3ccc(C)c([O-])c3Cl)cc2)o1 ZINC001203098522 1047027026 /nfs/dbraw/zinc/02/70/26/1047027026.db2.gz LAKLIHQJBFCLTL-UHFFFAOYSA-N -1 3 315.760 4.456 20 0 DIADHM CC(C)Sc1ccccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC000680837150 1047053969 /nfs/dbraw/zinc/05/39/69/1047053969.db2.gz FDCJKXIUMFZRCG-UHFFFAOYSA-N -1 3 302.399 4.305 20 0 DIADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1C(F)(F)F ZINC000799891997 1047067555 /nfs/dbraw/zinc/06/75/55/1047067555.db2.gz KVKHRLPXBCRPAW-QOXWLJPHSA-N -1 3 306.287 4.318 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c([O-])c1 ZINC001141361468 1047105640 /nfs/dbraw/zinc/10/56/40/1047105640.db2.gz NVFJBVPPISQHFU-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)[C@@H](C)CC(C)C ZINC001141436626 1047132278 /nfs/dbraw/zinc/13/22/78/1047132278.db2.gz CVRKDMVDCICYIB-VIFPVBQESA-N -1 3 314.223 4.084 20 0 DIADHM Cc1c(Cl)cc(F)c([N-]C(=O)c2coc(C3CC3)n2)c1F ZINC000681605887 1047134392 /nfs/dbraw/zinc/13/43/92/1047134392.db2.gz ITHBTKYNTPQXOY-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(O[C@H](C)CC)c2)c1 ZINC001141451781 1047136538 /nfs/dbraw/zinc/13/65/38/1047136538.db2.gz UPRUJGIWHJSPCL-CYBMUJFWSA-N -1 3 313.397 4.384 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)c2cccc(Cl)c2)c1 ZINC001141472332 1047143694 /nfs/dbraw/zinc/14/36/94/1047143694.db2.gz KJRBYFFJCMGOLQ-UHFFFAOYSA-N -1 3 303.789 4.275 20 0 DIADHM Cc1nc2ccccc2cc1C(=O)Nc1c([O-])cccc1Cl ZINC001141468854 1047143725 /nfs/dbraw/zinc/14/37/25/1047143725.db2.gz BDBCNRRLZCGMDW-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)c1ccc(C(=O)NC2(c3ccccc3)CCC2)c([O-])c1 ZINC001141503794 1047150254 /nfs/dbraw/zinc/15/02/54/1047150254.db2.gz CHCFWEKJEMPVOP-UHFFFAOYSA-N -1 3 309.409 4.325 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001141518935 1047158532 /nfs/dbraw/zinc/15/85/32/1047158532.db2.gz VEGVHYYMHCCHMS-VXGBXAGGSA-N -1 3 317.351 4.293 20 0 DIADHM CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC)c1[O-] ZINC001141521955 1047159876 /nfs/dbraw/zinc/15/98/76/1047159876.db2.gz UGSXGZBOGOVIRP-UHFFFAOYSA-N -1 3 315.388 4.146 20 0 DIADHM CCCCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C)CC ZINC000682495600 1047201782 /nfs/dbraw/zinc/20/17/82/1047201782.db2.gz SWOXPCQCZBKFKY-CQSZACIVSA-N -1 3 309.425 4.281 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc3cnccc3o2)CC)n1 ZINC000650061936 1047207479 /nfs/dbraw/zinc/20/74/79/1047207479.db2.gz WCJLDHNHNBHJAF-XYOKQWHBSA-N -1 3 309.369 4.227 20 0 DIADHM COc1c2ccccc2oc1C[N-]c1nc(-c2ccccc2)no1 ZINC000682720779 1047216771 /nfs/dbraw/zinc/21/67/71/1047216771.db2.gz AKTLVBVSUYTRCM-UHFFFAOYSA-N -1 3 321.336 4.104 20 0 DIADHM Cc1cc(N=Cc2cc(Br)ccc2[O-])ccc1F ZINC000254736477 1047234359 /nfs/dbraw/zinc/23/43/59/1047234359.db2.gz LFHDESVHRJJVIC-UHFFFAOYSA-N -1 3 308.150 4.353 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1[O-] ZINC001141662163 1047251114 /nfs/dbraw/zinc/25/11/14/1047251114.db2.gz WTJLAHFNPPKXIV-UKRRQHHQSA-N -1 3 303.446 4.241 20 0 DIADHM CCc1cccc(C(=O)N2CCCC[C@@H]2CCC(C)C)c1[O-] ZINC001137513470 1047266730 /nfs/dbraw/zinc/26/67/30/1047266730.db2.gz IUWSZJYELJMBEB-MRXNPFEDSA-N -1 3 303.446 4.386 20 0 DIADHM C[C@@H]1Cc2ccccc2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471623533 1047272406 /nfs/dbraw/zinc/27/24/06/1047272406.db2.gz BOOYGIIJHOIRGD-CYBMUJFWSA-N -1 3 303.361 4.137 20 0 DIADHM CCc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C)c([O-])c1 ZINC001141875665 1047303136 /nfs/dbraw/zinc/30/31/36/1047303136.db2.gz DCBBBGGTQOTWQA-GOSISDBHSA-N -1 3 311.425 4.472 20 0 DIADHM Cc1ccccc1Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000391724384 1047306766 /nfs/dbraw/zinc/30/67/66/1047306766.db2.gz LDSHYUAAKRVBMN-UHFFFAOYSA-N -1 3 316.360 4.495 20 0 DIADHM CC1(C)C[C@H](c2noc(-c3cc4ccccc4cc3[O-])n2)CCO1 ZINC000651442288 1047313944 /nfs/dbraw/zinc/31/39/44/1047313944.db2.gz PQERQYUJJHNCTB-CQSZACIVSA-N -1 3 324.380 4.268 20 0 DIADHM CC(C)n1cc2c(n1)[C@@H](N[C@H](C)c1cccc([O-])c1F)CCC2 ZINC001119067023 1047322682 /nfs/dbraw/zinc/32/26/82/1047322682.db2.gz ZKIAAASWEBXLIC-DOMZBBRYSA-N -1 3 317.408 4.037 20 0 DIADHM CCc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000652033012 1047340391 /nfs/dbraw/zinc/34/03/91/1047340391.db2.gz UZTMFQYNHKZELX-UHFFFAOYSA-N -1 3 320.230 4.007 20 0 DIADHM O=C([O-])CCCCCCNCc1csc(Cl)c1Cl ZINC000840995352 1047367386 /nfs/dbraw/zinc/36/73/86/1047367386.db2.gz IGKYEVAUEZAOEG-UHFFFAOYSA-N -1 3 310.246 4.180 20 0 DIADHM [O-]c1cc(Cl)c(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(Cl)c1 ZINC001142105589 1047381673 /nfs/dbraw/zinc/38/16/73/1047381673.db2.gz GPVQKKZUDJVUMV-DTORHVGOSA-N -1 3 322.182 4.176 20 0 DIADHM CCCOC1CCN(Cc2c(Cl)cc([O-])cc2Cl)CC1 ZINC001142114874 1047382992 /nfs/dbraw/zinc/38/29/92/1047382992.db2.gz QWDGZVADONIDLW-UHFFFAOYSA-N -1 3 318.244 4.090 20 0 DIADHM CCN(Cc1ccccn1)Cc1c(Cl)cc([O-])cc1Cl ZINC001142114839 1047384077 /nfs/dbraw/zinc/38/40/77/1047384077.db2.gz QDLDRSJGJQKVRL-UHFFFAOYSA-N -1 3 311.212 4.116 20 0 DIADHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC001142234423 1047412661 /nfs/dbraw/zinc/41/26/61/1047412661.db2.gz YDGIPGBDTVJMLY-OLZOCXBDSA-N -1 3 309.837 4.382 20 0 DIADHM CCO[C@H](c1noc(-c2cc3ccccc3cc2[O-])n1)C(C)C ZINC000322810037 1047431905 /nfs/dbraw/zinc/43/19/05/1047431905.db2.gz YGGDJAMZEPQMSN-INIZCTEOSA-N -1 3 312.369 4.329 20 0 DIADHM CN(C/C=C/c1ccccc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142663292 1047476241 /nfs/dbraw/zinc/47/62/41/1047476241.db2.gz JWVSNPLMQWHZTG-VMPITWQZSA-N -1 3 315.800 4.183 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(C)c(C)c2Cl)c([O-])c1 ZINC001143099950 1047531097 /nfs/dbraw/zinc/53/10/97/1047531097.db2.gz GXVZSIHLKVXQGS-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc(C)c(C)c2Cl)cc1[O-] ZINC001143100793 1047531290 /nfs/dbraw/zinc/53/12/90/1047531290.db2.gz WXBHGEJRVCTAJG-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000129575061 1047554030 /nfs/dbraw/zinc/55/40/30/1047554030.db2.gz RXNCTDOICUKYRN-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM Cc1nc2ccccc2c(C(=O)Nc2ncccc2C(C)C)c1[O-] ZINC001149190420 1047556470 /nfs/dbraw/zinc/55/64/70/1047556470.db2.gz LTJXDBRJPMMRRG-UHFFFAOYSA-N -1 3 321.380 4.020 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)c1[O-] ZINC000537644546 1047557618 /nfs/dbraw/zinc/55/76/18/1047557618.db2.gz NJGYXQURWYXZTQ-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])c2ccccc12 ZINC001150643122 1047580289 /nfs/dbraw/zinc/58/02/89/1047580289.db2.gz ZQEYTRRAPKTDOT-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2cccc(C)c2)C(C)C)c([O-])c1 ZINC001150929307 1047588182 /nfs/dbraw/zinc/58/81/82/1047588182.db2.gz UJAOVCCFRSARPF-LJQANCHMSA-N -1 3 311.425 4.390 20 0 DIADHM Cc1cccc(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)c1[O-] ZINC001150995978 1047589710 /nfs/dbraw/zinc/58/97/10/1047589710.db2.gz SCMDDIRWFPCACZ-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM Cc1ccc(F)c2oc(C(=O)Nc3cc(Cl)ccc3[O-])cc21 ZINC001151770799 1047601893 /nfs/dbraw/zinc/60/18/93/1047601893.db2.gz ZCTRQJYWBNRLAV-UHFFFAOYSA-N -1 3 319.719 4.492 20 0 DIADHM CCC1(CC)CN(C(=O)c2ccc(C)cc2[O-])c2ccccc21 ZINC001151811166 1047602327 /nfs/dbraw/zinc/60/23/27/1047602327.db2.gz QRGTXKPNPFBGIE-UHFFFAOYSA-N -1 3 309.409 4.419 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001152357160 1047610787 /nfs/dbraw/zinc/61/07/87/1047610787.db2.gz MMBKPRYXQVWRGI-MRXNPFEDSA-N -1 3 319.351 4.095 20 0 DIADHM Cc1ccccc1S(=O)(=O)[N-]c1c(C)cc(Cl)cc1C ZINC000132533013 1047613107 /nfs/dbraw/zinc/61/31/07/1047613107.db2.gz WDJIFKVBHHMYAU-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM COc1cccc(/C(C)=C/C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001153461367 1047625292 /nfs/dbraw/zinc/62/52/92/1047625292.db2.gz NMNMGERKQGTKLM-DHZHZOJOSA-N -1 3 317.772 4.096 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001154444431 1047648528 /nfs/dbraw/zinc/64/85/28/1047648528.db2.gz FKOZIBGKDYNHIA-HUUCEWRRSA-N -1 3 303.446 4.425 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)c1[O-] ZINC001154727218 1047655939 /nfs/dbraw/zinc/65/59/39/1047655939.db2.gz LEHNPBQSHWPXJF-KBXCAEBGSA-N -1 3 309.409 4.178 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1F ZINC000538296662 1047667561 /nfs/dbraw/zinc/66/75/61/1047667561.db2.gz NRSRUPGTHULNCB-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1c(C)noc1C1CC1 ZINC000783932441 1047725767 /nfs/dbraw/zinc/72/57/67/1047725767.db2.gz AWYPJDHOUHZYFT-UHFFFAOYSA-N -1 3 322.817 4.488 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCc2cc(C(C)C)ccc2C1 ZINC001649003219 1047769923 /nfs/dbraw/zinc/76/99/23/1047769923.db2.gz MYFJVDLZELHVMU-UHFFFAOYSA-N -1 3 309.409 4.023 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3cc(N(C)C)ccc3c2)c([O-])c1 ZINC001158860704 1047802195 /nfs/dbraw/zinc/80/21/95/1047802195.db2.gz JDIBIBUULUKNOQ-UHFFFAOYSA-N -1 3 320.392 4.172 20 0 DIADHM CCCCCC[C@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063387 1047809851 /nfs/dbraw/zinc/80/98/51/1047809851.db2.gz LQBSJXIJCXOKOB-LBPRGKRZSA-N -1 3 303.406 4.204 20 0 DIADHM Cc1ccc(Nc2ccc(N3CCCCC3)nc2)c(Cl)c1[O-] ZINC001174523805 1047887780 /nfs/dbraw/zinc/88/77/80/1047887780.db2.gz RXWIKJWORKIBPT-UHFFFAOYSA-N -1 3 317.820 4.483 20 0 DIADHM O=C(Cc1ccc(Cl)c(F)c1)Nc1c([O-])cccc1Cl ZINC001159658919 1047894678 /nfs/dbraw/zinc/89/46/78/1047894678.db2.gz YTHJBTMVZHFFSK-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM O=C(/C=C\CCc1ccccc1)Nc1c([O-])cccc1Cl ZINC001159658491 1047895401 /nfs/dbraw/zinc/89/54/01/1047895401.db2.gz VCDYICABKLGVPX-XGICHPGQSA-N -1 3 301.773 4.173 20 0 DIADHM Cc1c(CC(=O)Nc2ccc(F)c([O-])c2)sc2ccccc12 ZINC001183242426 1047909839 /nfs/dbraw/zinc/90/98/39/1047909839.db2.gz AENFNXZLFGTXFQ-UHFFFAOYSA-N -1 3 315.369 4.236 20 0 DIADHM Nc1ccc(Br)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001159927150 1047952975 /nfs/dbraw/zinc/95/29/75/1047952975.db2.gz CNBRWEVRTMVMKU-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM COc1ccc(C(F)(F)F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001174774027 1047967426 /nfs/dbraw/zinc/96/74/26/1047967426.db2.gz HHOXFJZGYXXADF-UHFFFAOYSA-N -1 3 315.295 4.138 20 0 DIADHM CCCCCCN(Cc1ccco1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC001198518340 1047971173 /nfs/dbraw/zinc/97/11/73/1047971173.db2.gz YGESDKIHJWSSET-OAHLLOKOSA-N -1 3 317.433 4.227 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(CC2CCCCC2)OCC(C)C)c1 ZINC001183887354 1047975149 /nfs/dbraw/zinc/97/51/49/1047975149.db2.gz MFKKZCZPXNHEDU-UHFFFAOYSA-N -1 3 319.445 4.311 20 0 DIADHM COc1ccc(Nc2ccc(C)c([O-])c2Cl)c(OC)c1OC ZINC001174900515 1048018702 /nfs/dbraw/zinc/01/87/02/1048018702.db2.gz DQSRARLKPQJHEG-UHFFFAOYSA-N -1 3 323.776 4.123 20 0 DIADHM CC(C)OC(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174918080 1048028938 /nfs/dbraw/zinc/02/89/38/1048028938.db2.gz STMKDGVVNULGCV-UHFFFAOYSA-N -1 3 305.761 4.354 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)oc2C)c1[O-] ZINC001160321238 1048031876 /nfs/dbraw/zinc/03/18/76/1048031876.db2.gz LXCRIVHXPCQPDG-UHFFFAOYSA-N -1 3 315.369 4.046 20 0 DIADHM CCc1oc2ccccc2c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001160321486 1048031959 /nfs/dbraw/zinc/03/19/59/1048031959.db2.gz RROYWJBVLUBSDF-UHFFFAOYSA-N -1 3 323.348 4.156 20 0 DIADHM CC(C)c1ccc2c(c1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001184418166 1048037525 /nfs/dbraw/zinc/03/75/25/1048037525.db2.gz LUAAGUKHSIKPNQ-UHFFFAOYSA-N -1 3 317.379 4.352 20 0 DIADHM [O-]c1cccc(Nc2cc(F)c(F)c(F)c2)c1Br ZINC001174960489 1048050811 /nfs/dbraw/zinc/05/08/11/1048050811.db2.gz CONWBRXWFBCBRE-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1cccc(Nc2ccc(F)c(F)c2F)c1Br ZINC001174968100 1048055518 /nfs/dbraw/zinc/05/55/18/1048055518.db2.gz DNMQMXGZKSMFGP-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1cc(F)cc(Nc2cccc([O-])c2Br)c1 ZINC001175010783 1048070600 /nfs/dbraw/zinc/07/06/00/1048070600.db2.gz NGORWFMSVMQRLD-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM CCOc1cc(F)c(Nc2cc(=O)[n-]n2C2CCCC2)cc1F ZINC001175057764 1048084902 /nfs/dbraw/zinc/08/49/02/1048084902.db2.gz QWCFWXDBZQBECF-UHFFFAOYSA-N -1 3 323.343 4.124 20 0 DIADHM CCOc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1F ZINC001175037157 1048102152 /nfs/dbraw/zinc/10/21/52/1048102152.db2.gz CDFAOAAESXPUIA-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Nc1ccc(Nc2c(F)cc([O-])cc2F)c(C(F)(F)F)c1 ZINC001175100334 1048115593 /nfs/dbraw/zinc/11/55/93/1048115593.db2.gz PQZUWSPVSYKMCX-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM CC(=O)Nc1cc(Nc2c(F)cc([O-])cc2F)ccc1Cl ZINC001175100477 1048116825 /nfs/dbraw/zinc/11/68/25/1048116825.db2.gz VETBWZSIWPQNQX-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1[O-] ZINC001185097457 1048128080 /nfs/dbraw/zinc/12/80/80/1048128080.db2.gz FOQUPDKERXGTPG-UHFFFAOYSA-N -1 3 312.703 4.276 20 0 DIADHM COc1cc(C(F)(F)F)ccc1Nc1c(F)cc([O-])cc1F ZINC001175096728 1048142537 /nfs/dbraw/zinc/14/25/37/1048142537.db2.gz IOLJLDXYLKMCBP-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1C ZINC001185529621 1048192761 /nfs/dbraw/zinc/19/27/61/1048192761.db2.gz JCKLXCZUXJMVHG-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(F)c2Br)c1F ZINC001175269034 1048247889 /nfs/dbraw/zinc/24/78/89/1048247889.db2.gz XVFLLDGPLCRZBG-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1cc(C)cc(C)c1 ZINC001201205430 1048218896 /nfs/dbraw/zinc/21/88/96/1048218896.db2.gz USCSDNGMOHQADP-UHFFFAOYSA-N -1 3 314.410 4.021 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)c(Cl)c1[O-] ZINC001185764433 1048223008 /nfs/dbraw/zinc/22/30/08/1048223008.db2.gz ZWCLUBNNFIIBLH-UHFFFAOYSA-N -1 3 316.788 4.487 20 0 DIADHM CCOc1ccc(F)c(F)c1Nc1cc([O-])c(F)cc1F ZINC001175283506 1048229515 /nfs/dbraw/zinc/22/95/15/1048229515.db2.gz XSZACYFZDMWAGI-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cn1ccc2cc(CNc3ccc4c(c3)[N-]C(=S)C4)ccc21 ZINC001162172634 1048237551 /nfs/dbraw/zinc/23/75/51/1048237551.db2.gz IFQOMNPCFOHMPQ-UHFFFAOYSA-N -1 3 307.422 4.086 20 0 DIADHM Cc1cc(C(F)(F)F)ncc1Nc1c(F)ccc([O-])c1F ZINC001175262492 1048243225 /nfs/dbraw/zinc/24/32/25/1048243225.db2.gz GVWAJHZFRATAIW-UHFFFAOYSA-N -1 3 304.218 4.136 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(Cl)ncc2C(F)(F)F)c1F ZINC001175261560 1048243718 /nfs/dbraw/zinc/24/37/18/1048243718.db2.gz MURWJCHFXQRCPV-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(-c3cccc(F)c3)no2)c1F ZINC001175264546 1048244551 /nfs/dbraw/zinc/24/45/51/1048244551.db2.gz WMTLWQUUECJEDZ-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(OC(F)(F)F)c2)c1F ZINC001175265339 1048245342 /nfs/dbraw/zinc/24/53/42/1048245342.db2.gz LYQSHUKPXBOAFU-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM Cc1ccc(Br)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175267852 1048245362 /nfs/dbraw/zinc/24/53/62/1048245362.db2.gz ANNJDMXFWXNEGT-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CCn1nc(-c2ccccc2)cc1Nc1c(F)ccc([O-])c1F ZINC001175265546 1048245387 /nfs/dbraw/zinc/24/53/87/1048245387.db2.gz FZZDQYVPJFJQRL-UHFFFAOYSA-N -1 3 315.323 4.297 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Br)c(F)c2)c1F ZINC001175265870 1048246270 /nfs/dbraw/zinc/24/62/70/1048246270.db2.gz QRYWHCIGUAVRSE-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175265893 1048246643 /nfs/dbraw/zinc/24/66/43/1048246643.db2.gz QTOOFUSSLAHSNY-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(OC(F)(F)F)c(F)c2)c1F ZINC001175264866 1048246736 /nfs/dbraw/zinc/24/67/36/1048246736.db2.gz KGFRHZIDBICXOZ-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM CCOc1ccc(OCC)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175264832 1048246785 /nfs/dbraw/zinc/24/67/85/1048246785.db2.gz JALAGYLWWRLSLD-UHFFFAOYSA-N -1 3 309.312 4.211 20 0 DIADHM CNc1ccc(C(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175268465 1048246981 /nfs/dbraw/zinc/24/69/81/1048246981.db2.gz PQTZRLXIRLYMNG-UHFFFAOYSA-N -1 3 318.245 4.475 20 0 DIADHM COc1cc(Nc2c(F)ccc([O-])c2F)ccc1N1CCCC1 ZINC001175269101 1048248177 /nfs/dbraw/zinc/24/81/77/1048248177.db2.gz BLQJIIQGSUQTEW-UHFFFAOYSA-N -1 3 320.339 4.023 20 0 DIADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H]1CCCC[C@H]1C ZINC001626726943 1048259365 /nfs/dbraw/zinc/25/93/65/1048259365.db2.gz XPFAEZCDUCECKI-IUODEOHRSA-N -1 3 307.459 4.155 20 0 DIADHM FC(F)(F)c1ccncc1CNc1ccc2c(c1)[N-]C(=S)C2 ZINC001162294301 1048259368 /nfs/dbraw/zinc/25/93/68/1048259368.db2.gz UKCGYIQTHMHAFM-UHFFFAOYSA-N -1 3 323.343 4.008 20 0 DIADHM CCN(C(=O)c1cc(SC)ccc1[O-])[C@@H]1CCCC[C@@H]1C ZINC001626726944 1048264343 /nfs/dbraw/zinc/26/43/43/1048264343.db2.gz XPFAEZCDUCECKI-SWLSCSKDSA-N -1 3 307.459 4.155 20 0 DIADHM c1sc(Nc2ccc(-c3nn[n-]n3)cc2)cc1-c1ccccc1 ZINC001175429411 1048304096 /nfs/dbraw/zinc/30/40/96/1048304096.db2.gz VLTFVVFPJIOVPT-UHFFFAOYSA-N -1 3 319.393 4.339 20 0 DIADHM CCC(CC)Oc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432106 1048304180 /nfs/dbraw/zinc/30/41/80/1048304180.db2.gz VCMNIMYFXYXTAK-UHFFFAOYSA-N -1 3 323.400 4.178 20 0 DIADHM Fc1cc(Cl)c(Cl)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432846 1048304857 /nfs/dbraw/zinc/30/48/57/1048304857.db2.gz MJCTWXPUIXPPMZ-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM c1csc(-c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC001175428852 1048305380 /nfs/dbraw/zinc/30/53/80/1048305380.db2.gz OAPIUCSQFCWDKY-UHFFFAOYSA-N -1 3 319.393 4.339 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(Cc2ccccc2)cc1 ZINC001186549836 1048322436 /nfs/dbraw/zinc/32/24/36/1048322436.db2.gz ZFXQALOSTSJMCZ-UHFFFAOYSA-N -1 3 321.351 4.374 20 0 DIADHM Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)c(Cl)c1[O-] ZINC001187577971 1048413342 /nfs/dbraw/zinc/41/33/42/1048413342.db2.gz WYEPHGCOMAFGQE-UHFFFAOYSA-N -1 3 312.703 4.276 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(Cl)c1[O-] ZINC001202023120 1048421941 /nfs/dbraw/zinc/42/19/41/1048421941.db2.gz KUZBRXCCAAFHJR-UHFFFAOYSA-N -1 3 312.703 4.276 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC001202072562 1048429025 /nfs/dbraw/zinc/42/90/25/1048429025.db2.gz QKEHGHCRQCALCI-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM COCCOc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001175788005 1048453318 /nfs/dbraw/zinc/45/33/18/1048453318.db2.gz MBWBKOKSZONXKQ-UHFFFAOYSA-N -1 3 307.777 4.123 20 0 DIADHM CSc1cccc(NC(=O)Nc2cc([O-])cc(Cl)c2)c1 ZINC001188050376 1048463967 /nfs/dbraw/zinc/46/39/67/1048463967.db2.gz GECGNXJBNWXDFC-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001188141275 1048481405 /nfs/dbraw/zinc/48/14/05/1048481405.db2.gz QQXHBAQZCLONHQ-UHFFFAOYSA-N -1 3 323.911 4.205 20 0 DIADHM O=C(Nc1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1[O-] ZINC001202230887 1048497894 /nfs/dbraw/zinc/49/78/94/1048497894.db2.gz QXODKDFJHVCDCC-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1cccc(Cl)c1F ZINC001188410876 1048513479 /nfs/dbraw/zinc/51/34/79/1048513479.db2.gz OZOLGXLANQYCSS-UHFFFAOYSA-N -1 3 322.723 4.031 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001188648384 1048533481 /nfs/dbraw/zinc/53/34/81/1048533481.db2.gz HJKSGAIYBXYTDB-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1nccs1 ZINC001188655630 1048536619 /nfs/dbraw/zinc/53/66/19/1048536619.db2.gz RWEGJDPLXLGCCJ-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM O=C(Nc1cccc2ccccc21)Nc1ncc([O-])cc1Cl ZINC001188917910 1048565007 /nfs/dbraw/zinc/56/50/07/1048565007.db2.gz RRDADPPMFMCWHK-UHFFFAOYSA-N -1 3 313.744 4.238 20 0 DIADHM Cc1ccc2ccc(F)c(Nc3ncc(Cl)cc3[O-])c2n1 ZINC001176114896 1048570387 /nfs/dbraw/zinc/57/03/87/1048570387.db2.gz YXGXYGZAILRGKV-UHFFFAOYSA-N -1 3 303.724 4.180 20 0 DIADHM Cc1c(F)cccc1NC(=O)[N-]c1cc(-c2ccco2)no1 ZINC001189023343 1048583626 /nfs/dbraw/zinc/58/36/26/1048583626.db2.gz AIIDUSXYHXXUFC-UHFFFAOYSA-N -1 3 301.277 4.026 20 0 DIADHM Cc1ccc(NC(=O)Nc2cccc(F)c2C)c(Cl)c1[O-] ZINC001189054070 1048587820 /nfs/dbraw/zinc/58/78/20/1048587820.db2.gz FUEFBQUPZCUMKL-UHFFFAOYSA-N -1 3 308.740 4.446 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1cccc(Cl)c1Cl ZINC001189225813 1048604047 /nfs/dbraw/zinc/60/40/47/1048604047.db2.gz GQIZVNUALDUIFP-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CCCCOc1ccc(NC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001189315296 1048616943 /nfs/dbraw/zinc/61/69/43/1048616943.db2.gz YBVCHYRCZINEQH-UHFFFAOYSA-N -1 3 318.348 4.354 20 0 DIADHM CC(C)(C)c1nnc([N-]c2ccc(OCc3ccccc3)nc2)o1 ZINC001176300327 1048639403 /nfs/dbraw/zinc/63/94/03/1048639403.db2.gz JJODSZPGXAONHB-UHFFFAOYSA-N -1 3 324.384 4.085 20 0 DIADHM O=c1cc(Nc2ccc3cc(O)ccc3c2)[n-]n1-c1ccccc1 ZINC001176387616 1048653205 /nfs/dbraw/zinc/65/32/05/1048653205.db2.gz GBSBIOGZCDJDKM-UHFFFAOYSA-N -1 3 317.348 4.180 20 0 DIADHM CCc1cccc(CC)c1NC(=O)Nc1cc(F)ccc1[O-] ZINC001189769716 1048663202 /nfs/dbraw/zinc/66/32/02/1048663202.db2.gz ROJFEGVXDJONFI-UHFFFAOYSA-N -1 3 302.349 4.300 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1Cl ZINC001190463608 1048740597 /nfs/dbraw/zinc/74/05/97/1048740597.db2.gz HOCKKANDMRSHJC-UHFFFAOYSA-N -1 3 321.829 4.327 20 0 DIADHM Cc1cc(C)cc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001190457816 1048740678 /nfs/dbraw/zinc/74/06/78/1048740678.db2.gz RRHAIPFRIYQFDP-UHFFFAOYSA-N -1 3 319.408 4.102 20 0 DIADHM COc1cccc(C(=O)Nc2cc(SC)ccc2Cl)c1[O-] ZINC001166463813 1048753663 /nfs/dbraw/zinc/75/36/63/1048753663.db2.gz IIWFMSLXIHOIJX-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM C[C@@]1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CC1(F)F ZINC000851256679 1048760304 /nfs/dbraw/zinc/76/03/04/1048760304.db2.gz IJRPWOVNUNUZSS-NSHDSACASA-N -1 3 305.733 4.085 20 0 DIADHM [O-]c1ccccc1-c1nc(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)no1 ZINC001166594566 1048767860 /nfs/dbraw/zinc/76/78/60/1048767860.db2.gz JCMAYXALSAOMOK-UPJWGTAASA-N -1 3 316.426 4.112 20 0 DIADHM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(=O)[n-]c2Cl)cc1 ZINC001190918935 1048808723 /nfs/dbraw/zinc/80/87/23/1048808723.db2.gz ZQHMWCYHZYYKPV-LLVKDONJSA-N -1 3 318.804 4.055 20 0 DIADHM Cc1ccc(NC(=O)NCCCc2ccccc2)c(Cl)c1[O-] ZINC001191207860 1048884481 /nfs/dbraw/zinc/88/44/81/1048884481.db2.gz DIVUJAWHSHLLHV-UHFFFAOYSA-N -1 3 318.804 4.108 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cncc(Oc2ccccc2)c1 ZINC001203555215 1048927005 /nfs/dbraw/zinc/92/70/05/1048927005.db2.gz HBQCLMLWZYCFSD-UHFFFAOYSA-N -1 3 313.744 4.372 20 0 DIADHM Cc1ccc(F)cc1NC(=O)[N-]c1cc(-c2ccco2)no1 ZINC001191377705 1048927520 /nfs/dbraw/zinc/92/75/20/1048927520.db2.gz INNHAUMICJOCOR-UHFFFAOYSA-N -1 3 301.277 4.026 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1onc2c1CCCC2 ZINC000854322985 1048962666 /nfs/dbraw/zinc/96/26/66/1048962666.db2.gz JJSKODQYZOWSRP-UHFFFAOYSA-N -1 3 324.352 4.120 20 0 DIADHM CCc1ccc(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC000904289767 1049013578 /nfs/dbraw/zinc/01/35/78/1049013578.db2.gz MOZKZPBKFNDLHG-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2ccco2)CC1 ZINC000855292256 1049024637 /nfs/dbraw/zinc/02/46/37/1049024637.db2.gz XIYVPNYCKXZICE-UHFFFAOYSA-N -1 3 321.376 4.158 20 0 DIADHM CC(C)(C)c1noc(-c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000904351401 1049037746 /nfs/dbraw/zinc/03/77/46/1049037746.db2.gz DPGWBKPNDYCYLY-UHFFFAOYSA-N -1 3 308.381 4.331 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SC/C=C/Cl)s1 ZINC000010316484 1049038008 /nfs/dbraw/zinc/03/80/08/1049038008.db2.gz STPBBTLIQNDCOL-ZZXKWVIFSA-N -1 3 301.799 4.265 20 0 DIADHM CCc1ccc(-c2nc(CCCc3ccccc3)no2)c([O-])c1 ZINC000904457560 1049072805 /nfs/dbraw/zinc/07/28/05/1049072805.db2.gz JEUZZZIWTGUZSH-UHFFFAOYSA-N -1 3 308.381 4.180 20 0 DIADHM CC(C)(C)c1ccc(C(=O)N2CCCC[C@@](C)(F)C2)c([O-])c1 ZINC001192314973 1049076752 /nfs/dbraw/zinc/07/67/52/1049076752.db2.gz WAFNHFHOIKGJFE-GOSISDBHSA-N -1 3 307.409 4.044 20 0 DIADHM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2ccccc2F)cc1 ZINC001204154384 1049098698 /nfs/dbraw/zinc/09/86/98/1049098698.db2.gz HHSTVHMBNXANTI-GOSISDBHSA-N -1 3 313.372 4.251 20 0 DIADHM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1ccc(CN)o1 ZINC000156341826 1049146665 /nfs/dbraw/zinc/14/66/65/1049146665.db2.gz KRJHYQALMCVIIV-UHFFFAOYSA-N -1 3 324.833 4.145 20 0 DIADHM Cc1cccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C)c1 ZINC000857461620 1049153061 /nfs/dbraw/zinc/15/30/61/1049153061.db2.gz MVFPIJSECZZDCB-LLVKDONJSA-N -1 3 305.315 4.099 20 0 DIADHM Cc1cccc(C)c1CN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC001179361180 1049161074 /nfs/dbraw/zinc/16/10/74/1049161074.db2.gz TXDRDZYYLQTIBJ-UHFFFAOYSA-N -1 3 311.425 4.405 20 0 DIADHM Cc1ccc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2n1 ZINC000339007188 1049199944 /nfs/dbraw/zinc/19/99/44/1049199944.db2.gz NRRRDZBWZBJCIL-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1cc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c(C)o1 ZINC000485366486 1049231609 /nfs/dbraw/zinc/23/16/09/1049231609.db2.gz NKDVHGQSSZAXOJ-UHFFFAOYSA-N -1 3 309.152 4.107 20 0 DIADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])OC1CCCCC1 ZINC001193632880 1049234692 /nfs/dbraw/zinc/23/46/92/1049234692.db2.gz UOEMNYBVRPOACY-UHFFFAOYSA-N -1 3 303.280 4.292 20 0 DIADHM CC(C)(C)C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905718349 1049242311 /nfs/dbraw/zinc/24/23/11/1049242311.db2.gz HRPKVBXQPNEKOJ-KRWDZBQOSA-N -1 3 312.413 4.047 20 0 DIADHM CC(C)(C)C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905718350 1049242473 /nfs/dbraw/zinc/24/24/73/1049242473.db2.gz HRPKVBXQPNEKOJ-QGZVFWFLSA-N -1 3 312.413 4.047 20 0 DIADHM Cc1ccc(C2=CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC001204744483 1049248229 /nfs/dbraw/zinc/24/82/29/1049248229.db2.gz TZVKFIIWBSEUCL-UHFFFAOYSA-N -1 3 315.363 4.268 20 0 DIADHM CCCCCOC(=O)Nc1cc(Br)c(C)cc1[O-] ZINC001193770459 1049254909 /nfs/dbraw/zinc/25/49/09/1049254909.db2.gz XNJOPKWAHISWOJ-UHFFFAOYSA-N -1 3 316.195 4.202 20 0 DIADHM CC1(C)CCC(NC(=O)c2ccc([O-])cc2C(F)(F)F)CC1 ZINC001193758496 1049258721 /nfs/dbraw/zinc/25/87/21/1049258721.db2.gz UDBLITGKMCQATQ-UHFFFAOYSA-N -1 3 315.335 4.110 20 0 DIADHM CC(C)O[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000485504480 1049268407 /nfs/dbraw/zinc/26/84/07/1049268407.db2.gz LMXODRABLGLYPH-INIZCTEOSA-N -1 3 319.788 4.150 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2cc(C(C)C)ccc2Cl)n1 ZINC001193844688 1049272117 /nfs/dbraw/zinc/27/21/17/1049272117.db2.gz KBOCFQGFWKQEKK-UHFFFAOYSA-N -1 3 304.777 4.125 20 0 DIADHM CN(Cc1ccc([O-])c(F)c1)Cc1cccc(Cl)c1Cl ZINC001180107659 1049289005 /nfs/dbraw/zinc/28/90/05/1049289005.db2.gz IEUVXSKEHWGUCD-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM O=C([N-]c1cccc(Cl)c1F)c1scnc1C(F)(F)F ZINC000485729437 1049329201 /nfs/dbraw/zinc/32/92/01/1049329201.db2.gz CCUZYALJHHWZMC-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM Cc1cc([O-])c(NC(=O)Oc2ccccc2)cc1Br ZINC001194253198 1049349412 /nfs/dbraw/zinc/34/94/12/1049349412.db2.gz CMQQVNDXXKKHAA-UHFFFAOYSA-N -1 3 322.158 4.074 20 0 DIADHM COCOc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1Cl ZINC001205054825 1049356536 /nfs/dbraw/zinc/35/65/36/1049356536.db2.gz KVDAAVKBOCLOQG-UHFFFAOYSA-N -1 3 319.813 4.285 20 0 DIADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194639947 1049401572 /nfs/dbraw/zinc/40/15/72/1049401572.db2.gz XBCWPCMXWFLXRM-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Oc1ccc2ccccc2c1 ZINC001194657462 1049405221 /nfs/dbraw/zinc/40/52/21/1049405221.db2.gz MTQWSAJOBTYNMX-UHFFFAOYSA-N -1 3 321.332 4.359 20 0 DIADHM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001180904522 1049416778 /nfs/dbraw/zinc/41/67/78/1049416778.db2.gz XNFAKUIGKJAWDM-ZDUSSCGKSA-N -1 3 315.388 4.472 20 0 DIADHM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001180904521 1049417041 /nfs/dbraw/zinc/41/70/41/1049417041.db2.gz XNFAKUIGKJAWDM-CYBMUJFWSA-N -1 3 315.388 4.472 20 0 DIADHM CC[C@H](C)c1ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc1 ZINC001194770875 1049427720 /nfs/dbraw/zinc/42/77/20/1049427720.db2.gz RFFAGHJVKBLFSQ-VIFPVBQESA-N -1 3 311.307 4.194 20 0 DIADHM O=C(OCc1cnc(C2CC2)o1)c1cc2cc(Cl)sc2[n-]1 ZINC000861378558 1049445764 /nfs/dbraw/zinc/44/57/64/1049445764.db2.gz ZGDBNTLKZDHDIH-UHFFFAOYSA-N -1 3 322.773 4.105 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Oc1ccccc1C(F)(F)F ZINC001195197511 1049494356 /nfs/dbraw/zinc/49/43/56/1049494356.db2.gz XNJFMHABCPRYPB-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM CCCCn1ncc(NCc2ccc([O-])c(F)c2)c1C(C)C ZINC001205621772 1049513952 /nfs/dbraw/zinc/51/39/52/1049513952.db2.gz NESLLQJJKLAVTQ-UHFFFAOYSA-N -1 3 305.397 4.263 20 0 DIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc2ccccc2o1 ZINC000042090634 1049518780 /nfs/dbraw/zinc/51/87/80/1049518780.db2.gz VWBCJEOYRITEMJ-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM [O-]c1cc(F)c(Nc2ccnc(OC(F)(F)F)c2)cc1Cl ZINC001250023131 1049530887 /nfs/dbraw/zinc/53/08/87/1049530887.db2.gz DVNOIIQXIHKCMW-UHFFFAOYSA-N -1 3 322.645 4.222 20 0 DIADHM CC[C@@H](c1cccc(OC)c1)N(C)Cc1ccc([O-])c(F)c1F ZINC001205692909 1049534843 /nfs/dbraw/zinc/53/48/43/1049534843.db2.gz NZFHGJOHWJSZEI-HNNXBMFYSA-N -1 3 321.367 4.262 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cc(-c2ccccc2)c[nH]1 ZINC001195650174 1049555904 /nfs/dbraw/zinc/55/59/04/1049555904.db2.gz DDQVQTTVZGWGHY-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM [O-]c1ccc(CNCc2cc3ccccc3s2)c(F)c1F ZINC001182008066 1049565128 /nfs/dbraw/zinc/56/51/28/1049565128.db2.gz PDXWIJFVJBTATR-UHFFFAOYSA-N -1 3 305.349 4.175 20 0 DIADHM C[C@H](NC(=O)Nc1c([O-])cccc1C(F)(F)F)c1ccccc1 ZINC001202509612 1049574601 /nfs/dbraw/zinc/57/46/01/1049574601.db2.gz MUWPQNXOJGHSJN-JTQLQIEISA-N -1 3 324.302 4.294 20 0 DIADHM C/C(=C\Cl)CSCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000797810998 1049585774 /nfs/dbraw/zinc/58/57/74/1049585774.db2.gz WPTFRIMZOCDFRF-RMKNXTFCSA-N -1 3 320.801 4.457 20 0 DIADHM C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC000774091459 1049598008 /nfs/dbraw/zinc/59/80/08/1049598008.db2.gz 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/nfs/dbraw/zinc/64/72/10/1049647210.db2.gz ATPKUCYUKPVKIR-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cnccc1-c1ccccc1 ZINC001196484506 1049660798 /nfs/dbraw/zinc/66/07/98/1049660798.db2.gz SDIXGZSDILAZCY-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM O=C([O-])CCCCCCCNCc1c(F)ccc(F)c1Cl ZINC000864504433 1049661746 /nfs/dbraw/zinc/66/17/46/1049661746.db2.gz HXDALVDYXUJXQE-UHFFFAOYSA-N -1 3 319.779 4.133 20 0 DIADHM Fc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cc(N2CCCC2)c1 ZINC001206134959 1049664221 /nfs/dbraw/zinc/66/42/21/1049664221.db2.gz XELTYJIUBYVZQO-UHFFFAOYSA-N -1 3 312.413 4.388 20 0 DIADHM CC(=O)c1ccc(NC(=S)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001196562233 1049671806 /nfs/dbraw/zinc/67/18/06/1049671806.db2.gz MGPBDKHNYAKFLF-UHFFFAOYSA-N -1 3 320.801 4.057 20 0 DIADHM CC(=O)c1ccc(NC(=S)Nc2cc([O-])ccc2Cl)cc1 ZINC001196562188 1049672942 /nfs/dbraw/zinc/67/29/42/1049672942.db2.gz LDKLPZIFVVONCE-UHFFFAOYSA-N -1 3 320.801 4.057 20 0 DIADHM CC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001196556685 1049673124 /nfs/dbraw/zinc/67/31/24/1049673124.db2.gz SMSDKZISHXIZGJ-UHFFFAOYSA-N -1 3 320.801 4.057 20 0 DIADHM Cc1cc(N(C)C)ncc1Nc1cc(Cl)c([O-])cc1Cl ZINC001206744068 1049790188 /nfs/dbraw/zinc/79/01/88/1049790188.db2.gz PZWGXFJQXQJWST-UHFFFAOYSA-N -1 3 312.200 4.212 20 0 DIADHM CC(C)C1CCC(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000323780747 1049831471 /nfs/dbraw/zinc/83/14/71/1049831471.db2.gz CTOSZSPDJNENBY-LADRWXRNSA-N -1 3 315.457 4.133 20 0 DIADHM [O-]c1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)c(F)c1F ZINC001207110730 1049837728 /nfs/dbraw/zinc/83/77/28/1049837728.db2.gz LGZGKTDWRCRJQT-AWEZNQCLSA-N -1 3 323.770 4.491 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1ncccc1[O-] ZINC000571328737 1049930229 /nfs/dbraw/zinc/93/02/29/1049930229.db2.gz SQHGDMKQCIBRNS-JTQLQIEISA-N -1 3 311.212 4.287 20 0 DIADHM CCCn1c2ccccc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000588310189 1049982207 /nfs/dbraw/zinc/98/22/07/1049982207.db2.gz FYTBODZONWTGKO-UHFFFAOYSA-N -1 3 316.788 4.481 20 0 DIADHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC001208291597 1049989604 /nfs/dbraw/zinc/98/96/04/1049989604.db2.gz POZNHWBWGKSHAS-LLVKDONJSA-N -1 3 323.911 4.205 20 0 DIADHM COc1c(F)ccc(Nc2cc(F)c([O-])c(F)c2)c1Cl ZINC001209803594 1050087202 /nfs/dbraw/zinc/08/72/02/1050087202.db2.gz GTNHGWAGTGUFOJ-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM COc1c(F)ccc(Nc2cc([O-])c(F)cc2F)c1Cl ZINC001209805071 1050087504 /nfs/dbraw/zinc/08/75/04/1050087504.db2.gz WKEGWRCLIIRLCV-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM CO[C@@H](C)c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001209947506 1050109780 /nfs/dbraw/zinc/10/97/80/1050109780.db2.gz WQXYGYKSYCIAKK-JTQLQIEISA-N -1 3 300.383 4.453 20 0 DIADHM [O-]c1cc(F)ccc1Nc1nc2cc(Br)ccc2o1 ZINC001210014706 1050122653 /nfs/dbraw/zinc/12/26/53/1050122653.db2.gz NTMKSYGROJHEQM-UHFFFAOYSA-N -1 3 323.121 4.179 20 0 DIADHM COc1ccc(C(C)=O)cc1Nc1ccc(C)c([O-])c1Cl ZINC001210080394 1050133775 /nfs/dbraw/zinc/13/37/75/1050133775.db2.gz TYLFYVQHWOSTCC-UHFFFAOYSA-N -1 3 305.761 4.309 20 0 DIADHM CN(CC[C@@H](C(=O)[O-])c1ccccc1)Cc1ccccc1Cl ZINC000573097871 1050134013 /nfs/dbraw/zinc/13/40/13/1050134013.db2.gz QOCREMJZWHKQEF-MRXNPFEDSA-N -1 3 317.816 4.030 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c1[O-] ZINC001136764291 1050148150 /nfs/dbraw/zinc/14/81/50/1050148150.db2.gz VKUKRYRFKLACLI-SFHVURJKSA-N -1 3 323.436 4.110 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1nc2ccccc2nc1Cl ZINC001210215647 1050161164 /nfs/dbraw/zinc/16/11/64/1050161164.db2.gz LADLRURNFWVMEM-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM Cc1ncc(Nc2cccc(Cl)c2[O-])cc1Br ZINC001210216323 1050161890 /nfs/dbraw/zinc/16/18/90/1050161890.db2.gz UKSNEEZHTBFWIQ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COc1ccc(C(C)=O)c(Nc2cccc(Cl)c2[O-])c1C ZINC001210222237 1050162939 /nfs/dbraw/zinc/16/29/39/1050162939.db2.gz WGYJZHUPMRWZPN-UHFFFAOYSA-N -1 3 305.761 4.309 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1c(O)cccc1Br ZINC001210222147 1050163199 /nfs/dbraw/zinc/16/31/99/1050163199.db2.gz PYRMCDLKPBIIAG-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CC(C)(C)c1nc2ccc(Nc3cccc(Cl)c3[O-])cn2n1 ZINC001210218846 1050163212 /nfs/dbraw/zinc/16/32/12/1050163212.db2.gz GGZWAXSXRIBKDA-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM Cc1cnn(-c2cccc(F)c2)c1Nc1cccc(Cl)c1[O-] ZINC001210221240 1050163229 /nfs/dbraw/zinc/16/32/29/1050163229.db2.gz ZLWFONNLRHPHMO-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccnn1-c1cccc(F)c1 ZINC001210218829 1050163356 /nfs/dbraw/zinc/16/33/56/1050163356.db2.gz DNAUXJZNMHFTFB-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(Br)cc1O ZINC001210219381 1050163386 /nfs/dbraw/zinc/16/33/86/1050163386.db2.gz JDQBOVDQPJMHJP-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM COC(=O)c1c(Cl)cccc1Nc1cccc(Cl)c1[O-] ZINC001210223390 1050164901 /nfs/dbraw/zinc/16/49/01/1050164901.db2.gz SLINWBQPFUYKJF-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM CC1(C)COC(c2ccccc2Nc2cccc(Cl)c2[O-])=N1 ZINC001210222566 1050165319 /nfs/dbraw/zinc/16/53/19/1050165319.db2.gz ORLZYIVOTHBZDM-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM O=C1CCCc2ccc(Nc3cccc(Cl)c3[O-])cc2N1 ZINC001210223026 1050165506 /nfs/dbraw/zinc/16/55/06/1050165506.db2.gz HDVZWDKDXCBJFN-UHFFFAOYSA-N -1 3 302.761 4.064 20 0 DIADHM CCN(CC)C(=O)c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210223468 1050165597 /nfs/dbraw/zinc/16/55/97/1050165597.db2.gz QCFCNYPUSNLVOP-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM O=C1CCCc2cc(Nc3cccc(Cl)c3[O-])ccc2N1 ZINC001210223251 1050165835 /nfs/dbraw/zinc/16/58/35/1050165835.db2.gz QHPMOHJBJXNCKX-UHFFFAOYSA-N -1 3 302.761 4.064 20 0 DIADHM CC1(C)COC(c2cccc(Nc3cccc(Cl)c3[O-])c2)=N1 ZINC001210223053 1050165928 /nfs/dbraw/zinc/16/59/28/1050165928.db2.gz IZCGVAFMKPHBPV-UHFFFAOYSA-N -1 3 316.788 4.345 20 0 DIADHM CCOc1ccc(-c2cc([N-]c3ccn(C(C)C)n3)on2)cc1 ZINC001210337304 1050209814 /nfs/dbraw/zinc/20/98/14/1050209814.db2.gz ZNAOEDFZXYPRMD-UHFFFAOYSA-N -1 3 312.373 4.261 20 0 DIADHM CC[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000573616275 1050220453 /nfs/dbraw/zinc/22/04/53/1050220453.db2.gz IREFSLRGYSUKCG-HZMBPMFUSA-N -1 3 316.228 4.241 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c([O-])c1 ZINC001136906940 1050228010 /nfs/dbraw/zinc/22/80/10/1050228010.db2.gz AOTQUBCARXNKHN-AWEZNQCLSA-N -1 3 317.351 4.222 20 0 DIADHM CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000573808138 1050255205 /nfs/dbraw/zinc/25/52/05/1050255205.db2.gz GRNCOCYBYCHSMA-UHFFFAOYSA-N -1 3 309.818 4.122 20 0 DIADHM CC(C)c1cc([N-]C(=O)c2ccc(SC(F)(F)F)o2)no1 ZINC001137047372 1050313547 /nfs/dbraw/zinc/31/35/47/1050313547.db2.gz QUYNYYRLBOPXBP-UHFFFAOYSA-N -1 3 320.292 4.255 20 0 DIADHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(SC)ccc1[O-] ZINC001143703675 1050341475 /nfs/dbraw/zinc/34/14/75/1050341475.db2.gz QBBIDDQHPODJEO-SWLSCSKDSA-N -1 3 307.459 4.203 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(O)cc(C(F)(F)F)c2)c(F)c1 ZINC001210826577 1050382713 /nfs/dbraw/zinc/38/27/13/1050382713.db2.gz FUMUGHYTLHTIGT-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1nc(Cl)c(Nc2cccc([O-])c2Cl)c(Cl)n1 ZINC001210851857 1050390262 /nfs/dbraw/zinc/39/02/62/1050390262.db2.gz OFQXUMSUUMKFFU-UHFFFAOYSA-N -1 3 304.564 4.194 20 0 DIADHM COc1ccc(-c2cc(Nc3cccc([O-])c3Cl)on2)cc1 ZINC001210844388 1050390296 /nfs/dbraw/zinc/39/02/96/1050390296.db2.gz FMOZAGBENFLSHB-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM COc1cccc(-c2cc(Nc3cccc([O-])c3Cl)on2)c1 ZINC001210845158 1050390619 /nfs/dbraw/zinc/39/06/19/1050390619.db2.gz SVPBMBCLVLJJCU-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)ccc1-c1cnco1 ZINC001210855027 1050392327 /nfs/dbraw/zinc/39/23/27/1050392327.db2.gz PSFMEIHLWRLDDJ-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM [O-]c1cccc(Nc2ccnc(F)c2Br)c1Cl ZINC001210853849 1050392714 /nfs/dbraw/zinc/39/27/14/1050392714.db2.gz MTDMIEGPKBOFBQ-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM CC(=O)Nc1ccc(Cl)c(Nc2cccc([O-])c2Cl)c1 ZINC001210854438 1050392742 /nfs/dbraw/zinc/39/27/42/1050392742.db2.gz WUFXBYZPGZDEGT-UHFFFAOYSA-N -1 3 311.168 4.401 20 0 DIADHM [O-]c1cccc(Nc2cc(Br)ccc2O)c1Cl ZINC001210854385 1050392854 /nfs/dbraw/zinc/39/28/54/1050392854.db2.gz SSGPKFYXDNJLEC-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CCN(CC)C(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001210859156 1050393018 /nfs/dbraw/zinc/39/30/18/1050393018.db2.gz CSVUFXDOAXRRDQ-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM [O-]c1cccc(Nc2ncccc2OC(F)(F)F)c1Cl ZINC001210854047 1050393035 /nfs/dbraw/zinc/39/30/35/1050393035.db2.gz WVLJGIWXNOAUPF-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM [O-]c1cccc(Nc2ccc(Br)cc2O)c1Cl ZINC001210854273 1050393243 /nfs/dbraw/zinc/39/32/43/1050393243.db2.gz LZKNWKPBHZBITD-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM [O-]c1cccc(Nc2cnc3c(C4CCC4)cnn3c2)c1Cl ZINC001210855094 1050393262 /nfs/dbraw/zinc/39/32/62/1050393262.db2.gz HBLSNTWKOGHEFO-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM O=C1CCCc2ccc(Nc3cccc([O-])c3Cl)cc2N1 ZINC001210855036 1050393436 /nfs/dbraw/zinc/39/34/36/1050393436.db2.gz PVPOUPNSXIBCPC-UHFFFAOYSA-N -1 3 302.761 4.064 20 0 DIADHM Nc1cc(Br)cc(Nc2cccc([O-])c2Cl)c1 ZINC001210859385 1050394275 /nfs/dbraw/zinc/39/42/75/1050394275.db2.gz FPDHZNAVHXVIEQ-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM COC(=O)CCc1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001210860036 1050394386 /nfs/dbraw/zinc/39/43/86/1050394386.db2.gz RCTKDTFVDUNJGB-UHFFFAOYSA-N -1 3 323.751 4.034 20 0 DIADHM COC(=O)c1cc(Nc2cccc([O-])c2Cl)c(C)cc1C ZINC001210860252 1050394431 /nfs/dbraw/zinc/39/44/31/1050394431.db2.gz SBXYHMPSSZYWEF-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM [O-]c1cccc(Nc2ccc(O)cc2Br)c1Cl ZINC001210859622 1050394591 /nfs/dbraw/zinc/39/45/91/1050394591.db2.gz IIHYLWOIOQSIOE-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM COC(=O)c1c(Cl)cccc1Nc1cccc([O-])c1Cl ZINC001210860578 1050394690 /nfs/dbraw/zinc/39/46/90/1050394690.db2.gz ZHOJAYKTNSLHFN-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM O=C(/C=C/C1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000735463129 1050399536 /nfs/dbraw/zinc/39/95/36/1050399536.db2.gz CKVQJYGOHFUUMC-RMKNXTFCSA-N -1 3 324.218 4.230 20 0 DIADHM [O-]c1c(Cl)cc(Nc2ccnn2-c2ccncc2)cc1Cl ZINC001210927854 1050418982 /nfs/dbraw/zinc/41/89/82/1050418982.db2.gz USKRQYUJJMELOA-UHFFFAOYSA-N -1 3 321.167 4.023 20 0 DIADHM Cc1ccc([N-]c2nc3cc(Br)ccc3o2)nc1 ZINC001211006465 1050442726 /nfs/dbraw/zinc/44/27/26/1050442726.db2.gz VRUBXFNIWHNKQO-UHFFFAOYSA-N -1 3 304.147 4.037 20 0 DIADHM COc1ncc(Nc2cc(Cl)c([O-])cc2Cl)cc1Cl ZINC001211047977 1050457062 /nfs/dbraw/zinc/45/70/62/1050457062.db2.gz CWWCZUURBRTLAQ-UHFFFAOYSA-N -1 3 319.575 4.500 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2CC2CCCC2)c1[O-] ZINC001144219879 1050497207 /nfs/dbraw/zinc/49/72/07/1050497207.db2.gz NSXCOTZNYSMWIK-MRXNPFEDSA-N -1 3 301.430 4.140 20 0 DIADHM CCCCCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786723771 1050511549 /nfs/dbraw/zinc/51/15/49/1050511549.db2.gz JDBURCGJUPSIBZ-CQSZACIVSA-N -1 3 309.425 4.329 20 0 DIADHM NC(=O)c1ccc(Nc2ccc(-c3ccc(F)cc3)cc2)cc1[O-] ZINC001211197418 1050513023 /nfs/dbraw/zinc/51/30/23/1050513023.db2.gz QYCCPQCRFSVCHS-UHFFFAOYSA-N -1 3 322.339 4.041 20 0 DIADHM CC(=O)c1cc(Br)ccc1Nc1ccc(F)c([O-])c1 ZINC001211217435 1050521850 /nfs/dbraw/zinc/52/18/50/1050521850.db2.gz OCYOFNCYOFJYLK-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(Cl)ccc1Cl ZINC000574770224 1050568438 /nfs/dbraw/zinc/56/84/38/1050568438.db2.gz DUDXPSDJMXSVLH-NRUUGDAUSA-N -1 3 316.228 4.067 20 0 DIADHM O=C([N-]C1(c2cccc(C(F)(F)F)c2)CCCCC1)C(F)F ZINC000787398034 1050597507 /nfs/dbraw/zinc/59/75/07/1050597507.db2.gz HSVDNRBWTJSEMX-UHFFFAOYSA-N -1 3 321.289 4.246 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(OCC(F)F)cc2)cc1F ZINC001213306208 1050625068 /nfs/dbraw/zinc/62/50/68/1050625068.db2.gz CLRSZDIPIITIII-UHFFFAOYSA-N -1 3 301.239 4.058 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)OCc1ccc(CF)cc1 ZINC000787842849 1050626046 /nfs/dbraw/zinc/62/60/46/1050626046.db2.gz DDZBOPIOSVFOBS-UHFFFAOYSA-N -1 3 320.335 4.067 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(F)c2ccccc12 ZINC001144631382 1050636405 /nfs/dbraw/zinc/63/64/05/1050636405.db2.gz POXYIWKSEDKZGC-UHFFFAOYSA-N -1 3 313.303 4.005 20 0 DIADHM CC(C)c1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001144633432 1050637622 /nfs/dbraw/zinc/63/76/22/1050637622.db2.gz VEGUIKKTRUREKB-CYBMUJFWSA-N -1 3 315.388 4.075 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(-c3ccc(F)c(F)c3)no2)cc1F ZINC001213370884 1050640678 /nfs/dbraw/zinc/64/06/78/1050640678.db2.gz ORZRFKYQAYLNGF-UHFFFAOYSA-N -1 3 324.233 4.347 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(C(F)(F)F)cc(Cl)n2)cc1F ZINC001213373697 1050641849 /nfs/dbraw/zinc/64/18/49/1050641849.db2.gz UCZUENNTPGMFDJ-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM Cc1cc(Nc2cc(F)c([O-])c(F)c2)n(-c2cccc(F)c2)n1 ZINC001213374802 1050642542 /nfs/dbraw/zinc/64/25/42/1050642542.db2.gz AGAHBENFVLOYAD-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Cc1ccccc1-c1cc(Nc2cc(F)c([O-])c(F)c2)n(C)n1 ZINC001213377289 1050642832 /nfs/dbraw/zinc/64/28/32/1050642832.db2.gz HIRDYSGVXBPAEN-UHFFFAOYSA-N -1 3 315.323 4.123 20 0 DIADHM [O-]c1c(F)cc(Nc2ccnn2-c2ccccc2Cl)cc1F ZINC001213377393 1050642979 /nfs/dbraw/zinc/64/29/79/1050642979.db2.gz 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/nfs/dbraw/zinc/64/72/73/1050647273.db2.gz SZZSKJUECCFFJA-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])CC2 ZINC001144660626 1050648157 /nfs/dbraw/zinc/64/81/57/1050648157.db2.gz GYGUDGRXEIHGPE-GOSISDBHSA-N -1 3 309.409 4.241 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@H](c3ccccc3)CC2)cc1F ZINC001144658477 1050648266 /nfs/dbraw/zinc/64/82/66/1050648266.db2.gz XVFUEIIWVOUHIB-HNNXBMFYSA-N -1 3 317.379 4.440 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC001144658481 1050649480 /nfs/dbraw/zinc/64/94/80/1050649480.db2.gz YDPZQYIVKFXQBU-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM CCc1nc(C)c([C@H](C)OC(=O)c2cc3ccsc3[n-]2)s1 ZINC000741135896 1050659759 /nfs/dbraw/zinc/65/97/59/1050659759.db2.gz WYNMRKIUZKLDLO-VIFPVBQESA-N -1 3 320.439 4.475 20 0 DIADHM O=C(NCc1ccccc1Cl)c1cc2sccc2c([O-])c1 ZINC000788264837 1050662817 /nfs/dbraw/zinc/66/28/17/1050662817.db2.gz ODGVLJUBHSLUEI-UHFFFAOYSA-N -1 3 317.797 4.190 20 0 DIADHM C[C@@H](Cc1cccs1)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788301280 1050664676 /nfs/dbraw/zinc/66/46/76/1050664676.db2.gz PRFMWJWVPFPUPT-JTQLQIEISA-N -1 3 317.435 4.029 20 0 DIADHM Cc1cc(F)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000788278927 1050665068 /nfs/dbraw/zinc/66/50/68/1050665068.db2.gz SHBYYKQNFKYFEF-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM C[C@H](c1ccco1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788277003 1050665330 /nfs/dbraw/zinc/66/53/30/1050665330.db2.gz VXMBYSIBUDOZSV-SNVBAGLBSA-N -1 3 301.367 4.033 20 0 DIADHM CN(Cc1ccccc1F)C(=O)c1cc2sccc2c([O-])c1 ZINC000788286752 1050666749 /nfs/dbraw/zinc/66/67/49/1050666749.db2.gz BIXVADCHAYIMNH-UHFFFAOYSA-N -1 3 315.369 4.018 20 0 DIADHM CCOc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788289913 1050667147 /nfs/dbraw/zinc/66/71/47/1050667147.db2.gz YZVXABCPGPLXOM-UHFFFAOYSA-N -1 3 313.378 4.258 20 0 DIADHM O=c1oc2ccccc2cc1Nc1c(Cl)ccc([O-])c1F ZINC001214556033 1050674474 /nfs/dbraw/zinc/67/44/74/1050674474.db2.gz HHSQKAJOCGTYRS-UHFFFAOYSA-N -1 3 305.692 4.035 20 0 DIADHM [O-]c1cccc2sc(Nc3ccccc3N3CCCC3)nc21 ZINC001213599309 1050691651 /nfs/dbraw/zinc/69/16/51/1050691651.db2.gz ABHTWGUGFJRWSI-UHFFFAOYSA-N -1 3 311.410 4.346 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3cccc(Cl)c3Cl)no2)n1 ZINC001213698317 1050721558 /nfs/dbraw/zinc/72/15/58/1050721558.db2.gz VCDUQYJLPQOYEX-UHFFFAOYSA-N -1 3 322.151 4.119 20 0 DIADHM COc1cccc(C2CC2)c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001213813825 1050750131 /nfs/dbraw/zinc/75/01/31/1050750131.db2.gz VJTJPTLQVBITTB-UHFFFAOYSA-N -1 3 321.380 4.208 20 0 DIADHM CC(C)c1ccccc1CNCc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000846780905 1050752222 /nfs/dbraw/zinc/75/22/22/1050752222.db2.gz WJPVSUPLJJRZDK-UHFFFAOYSA-N -1 3 319.351 4.076 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1sccc1-n1cccc1 ZINC000596754556 1050769382 /nfs/dbraw/zinc/76/93/82/1050769382.db2.gz QAVPVDKGJLMSRJ-UHFFFAOYSA-N -1 3 318.785 4.150 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc(F)c(=O)[n-]3)n2)c2ccccc12 ZINC001214085206 1050816280 /nfs/dbraw/zinc/81/62/80/1050816280.db2.gz 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ZINC001148499929 1050948869 /nfs/dbraw/zinc/94/88/69/1050948869.db2.gz HBLHQPGAJYZNSN-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1ccc(C(=O)Nc2c(Cl)ccc3ncccc32)c([O-])c1 ZINC001148500376 1050948976 /nfs/dbraw/zinc/94/89/76/1050948976.db2.gz MOGSQMAFZZZWET-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)c([O-])c1 ZINC001148500674 1050949666 /nfs/dbraw/zinc/94/96/66/1050949666.db2.gz SGEFHZQLMYEKES-UHFFFAOYSA-N -1 3 318.376 4.202 20 0 DIADHM CC(C)=CCC/C(C)=C/CNC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148669103 1050966742 /nfs/dbraw/zinc/96/67/42/1050966742.db2.gz QINKVKNOOBVUNG-GXDHUFHOSA-N -1 3 315.413 4.017 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCc3c(C)cccc32)c([O-])c1 ZINC001148776477 1050970276 /nfs/dbraw/zinc/97/02/76/1050970276.db2.gz VLDMLJWJMNHCRP-SFHVURJKSA-N -1 3 309.409 4.070 20 0 DIADHM COc1ccc(C)cc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791294916 1051038225 /nfs/dbraw/zinc/03/82/25/1051038225.db2.gz NCMCEUIZBRLFSG-UHFFFAOYSA-N -1 3 313.378 4.176 20 0 DIADHM COCc1ccccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791327480 1051039601 /nfs/dbraw/zinc/03/96/01/1051039601.db2.gz MGTSKIKUTIRBLY-UHFFFAOYSA-N -1 3 313.378 4.006 20 0 DIADHM CCN(C(=O)c1cc2sccc2c([O-])c1)C1CCCCC1 ZINC000791313529 1051041679 /nfs/dbraw/zinc/04/16/79/1051041679.db2.gz JRCRSLVRTXUCEU-UHFFFAOYSA-N -1 3 303.427 4.402 20 0 DIADHM C[C@@H](C1CC1)N(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000791340423 1051042230 /nfs/dbraw/zinc/04/22/30/1051042230.db2.gz PDNAIIYKCQENFY-JTQLQIEISA-N -1 3 301.411 4.010 20 0 DIADHM Cc1ccc(N(C)C(=O)c2cc([O-])ccc2Cl)cc1Cl ZINC000791363296 1051044109 /nfs/dbraw/zinc/04/41/09/1051044109.db2.gz HSFKRLFDSWTBCQ-UHFFFAOYSA-N -1 3 310.180 4.284 20 0 DIADHM CC[C@@H](C)CC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000791500003 1051055920 /nfs/dbraw/zinc/05/59/20/1051055920.db2.gz TXZNVMUPAFQODC-SCZZXKLOSA-N -1 3 322.430 4.054 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C)c(Cl)c3)no2)c1 ZINC001215155365 1051090326 /nfs/dbraw/zinc/09/03/26/1051090326.db2.gz KYEWRBLQEBGPPP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COCOc1cc(C)c(Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001215168540 1051098692 /nfs/dbraw/zinc/09/86/92/1051098692.db2.gz QBDWHLFWSDXDCY-UHFFFAOYSA-N -1 3 309.312 4.014 20 0 DIADHM Cc1cccc2c1CCN2C(=O)c1cc([O-])c2ccccc2c1 ZINC000792109471 1051118544 /nfs/dbraw/zinc/11/85/44/1051118544.db2.gz XMCSHNNKNAVMQB-UHFFFAOYSA-N -1 3 303.361 4.057 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(C)c(Cl)c3)no2)c([O-])c1 ZINC001215296936 1051156054 /nfs/dbraw/zinc/15/60/54/1051156054.db2.gz GVDWCMCDHMFSKO-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM COc1ccc(Cl)c(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC001215296924 1051156104 /nfs/dbraw/zinc/15/61/04/1051156104.db2.gz FVZDMIRAFJJXIT-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(F)c(C)c3F)no2)c([O-])c1 ZINC001215297058 1051157956 /nfs/dbraw/zinc/15/79/56/1051157956.db2.gz MXZPALPIHCKMTK-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM CCCCc1ccc(-c2noc(-c3c([O-])cccc3O)n2)cc1 ZINC001215301626 1051160212 /nfs/dbraw/zinc/16/02/12/1051160212.db2.gz CKNZESUFUIAFIG-UHFFFAOYSA-N -1 3 310.353 4.157 20 0 DIADHM CNc1ccnc(Cl)c1Nc1c(Cl)ccc([O-])c1F ZINC001214556401 1051166359 /nfs/dbraw/zinc/16/63/59/1051166359.db2.gz RDBSQUDWJZUJST-UHFFFAOYSA-N -1 3 302.136 4.018 20 0 DIADHM Cc1ccc(F)c(-c2noc(-c3cc([O-])ccc3Cl)n2)c1 ZINC001215345924 1051173030 /nfs/dbraw/zinc/17/30/30/1051173030.db2.gz SLYIWUNRHXDIGT-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(Cl)c(CO)c1F ZINC001215607779 1051272109 /nfs/dbraw/zinc/27/21/09/1051272109.db2.gz GARDPUVPAYEMSB-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM Cc1cnn(-c2ccccc2C)c1Nc1cc(F)c([O-])cc1F ZINC001215572366 1051251079 /nfs/dbraw/zinc/25/10/79/1051251079.db2.gz DRZYXAMYQKAQJR-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM Cc1cnn(-c2cccc(F)c2)c1Nc1cc(F)c([O-])cc1F ZINC001215572586 1051251701 /nfs/dbraw/zinc/25/17/01/1051251701.db2.gz LYVOJNALNSTGRM-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1cc(F)c(Nc2ccnn2-c2cccc(Cl)c2)cc1F ZINC001215572469 1051252443 /nfs/dbraw/zinc/25/24/43/1051252443.db2.gz HSTSRURAIADYLK-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Cc1ccc(OC(C)C)cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001215583237 1051258096 /nfs/dbraw/zinc/25/80/96/1051258096.db2.gz HYBOYPUJELYRGW-UHFFFAOYSA-N -1 3 323.396 4.417 20 0 DIADHM O=C([O-])c1cc(F)c(Nc2ccnc(C3CCC3)c2)c(F)c1 ZINC001215614233 1051278190 /nfs/dbraw/zinc/27/81/90/1051278190.db2.gz YZOFJPWJIARTCM-UHFFFAOYSA-N -1 3 304.296 4.069 20 0 DIADHM CC1(C2CC2)CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000793466235 1051302372 /nfs/dbraw/zinc/30/23/72/1051302372.db2.gz FVRXGCJSJPIMGB-UHFFFAOYSA-N -1 3 315.438 4.259 20 0 DIADHM CC(C)Oc1c(F)ccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001215727529 1051327879 /nfs/dbraw/zinc/32/78/79/1051327879.db2.gz WWHKREMJHTYKPR-UHFFFAOYSA-N -1 3 314.719 4.250 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cncc(-c3ccccn3)c2)c1F ZINC001214559011 1051335181 /nfs/dbraw/zinc/33/51/81/1051335181.db2.gz CQCOSAGVQXSESF-UHFFFAOYSA-N -1 3 315.735 4.385 20 0 DIADHM CSc1ncc(Nc2nc3c(cccc3[O-])s2)cc1C ZINC001215826202 1051390914 /nfs/dbraw/zinc/39/09/14/1051390914.db2.gz JOOKAYZODYABNY-UHFFFAOYSA-N -1 3 303.412 4.171 20 0 DIADHM CSc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1F ZINC001215838450 1051403269 /nfs/dbraw/zinc/40/32/69/1051403269.db2.gz GJDHVSFZYOBXSN-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM COc1c(F)cc(-c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001242157902 1051416233 /nfs/dbraw/zinc/41/62/33/1051416233.db2.gz OESFVHGRKXIJEO-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM COc1cc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001242156932 1051416989 /nfs/dbraw/zinc/41/69/89/1051416989.db2.gz BOZMRVUUAKOHOZ-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCCCCC[C@H](CCCC)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172515827 1051430042 /nfs/dbraw/zinc/43/00/42/1051430042.db2.gz DDBFXFRAFUIMNP-HNNXBMFYSA-N -1 3 307.415 4.063 20 0 DIADHM O=c1cc(Nc2cc(F)cc(F)c2Cl)[n-]n1-c1ccccc1 ZINC001215950660 1051476437 /nfs/dbraw/zinc/47/64/37/1051476437.db2.gz CPILHNYUTGWBCX-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM CSc1cc(F)c(Nc2c(F)cc([O-])cc2F)cc1F ZINC001215967870 1051491422 /nfs/dbraw/zinc/49/14/22/1051491422.db2.gz GGTRBFKMHPJUKC-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM Nc1ccc(Nc2cccc(Cl)c2[O-])cc1OC(F)(F)F ZINC001216033669 1051538543 /nfs/dbraw/zinc/53/85/43/1051538543.db2.gz YXZSZIFCMCXIFZ-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM CC(C)c1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1N ZINC001216043260 1051544608 /nfs/dbraw/zinc/54/46/08/1051544608.db2.gz DBTZKPFFPRVVLE-UHFFFAOYSA-N -1 3 308.385 4.027 20 0 DIADHM Cc1cc(Nc2ccc(C(=O)c3ccncc3)cc2)cc([O-])c1F ZINC001216082543 1051569609 /nfs/dbraw/zinc/56/96/09/1051569609.db2.gz RLGOPXHQABDHJA-UHFFFAOYSA-N -1 3 322.339 4.209 20 0 DIADHM [O-]c1cc(Nc2ccnc3ccc(Cl)cc32)ccc1Cl ZINC001212587922 1051570449 /nfs/dbraw/zinc/57/04/49/1051570449.db2.gz AIGJVNCIYFOUDB-UHFFFAOYSA-N -1 3 305.164 4.413 20 0 DIADHM [O-]c1cc(Nc2cc(Cc3ccccc3)no2)ccc1Cl ZINC001212588355 1051577081 /nfs/dbraw/zinc/57/70/81/1051577081.db2.gz MIOKOIFOMGPDDI-UHFFFAOYSA-N -1 3 300.745 4.368 20 0 DIADHM Cc1nccc(Br)c1Nc1ccc(Cl)c([O-])c1 ZINC001212589668 1051592983 /nfs/dbraw/zinc/59/29/83/1051592983.db2.gz YHNZWVGMTNZUSN-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1-c1ccccc1 ZINC001216149982 1051604559 /nfs/dbraw/zinc/60/45/59/1051604559.db2.gz FAQMGYISZPCGSX-UHFFFAOYSA-N -1 3 318.376 4.210 20 0 DIADHM [O-]c1cc(Nc2nc(F)ccc2Br)ccc1Cl ZINC001212590468 1051627544 /nfs/dbraw/zinc/62/75/44/1051627544.db2.gz NSVJYYDZDMPPMC-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM COc1cc(OC)c(Nc2ccc(Cl)c([O-])c2)cc1Cl ZINC001212591376 1051646872 /nfs/dbraw/zinc/64/68/72/1051646872.db2.gz IZZHLHBLWRGYOV-UHFFFAOYSA-N -1 3 314.168 4.460 20 0 DIADHM O=c1[n-]c(NCCc2coc3ccccc23)c(Cl)cc1Cl ZINC001169592148 1051651586 /nfs/dbraw/zinc/65/15/86/1051651586.db2.gz XBVILHVIZMYXHG-UHFFFAOYSA-N -1 3 323.179 4.495 20 0 DIADHM [O-]c1cc(Nc2c(O)cccc2Br)ccc1Cl ZINC001212592209 1051662206 /nfs/dbraw/zinc/66/22/06/1051662206.db2.gz DHWQQUFGTWQTMT-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Nc1cc(Br)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593941 1051681467 /nfs/dbraw/zinc/68/14/67/1051681467.db2.gz MLTKYZQWRRIORK-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM [O-]c1cc(Nc2cccc(O)c2Br)ccc1Cl ZINC001212595382 1051701419 /nfs/dbraw/zinc/70/14/19/1051701419.db2.gz QVEMPKWSGJTLAI-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CCOC(=O)/C=C/c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001216477563 1051782636 /nfs/dbraw/zinc/78/26/36/1051782636.db2.gz MVPSWAQCJPPGEU-BJMVGYQFSA-N -1 3 317.772 4.366 20 0 DIADHM COc1c(F)cc(-c2cccc(F)c2[O-])cc1C(F)(F)F ZINC001242353784 1051805204 /nfs/dbraw/zinc/80/52/04/1051805204.db2.gz QCIBOEHLSGSDTG-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM O=c1ccn(-c2ccc(Nc3cccc4ccccc43)cc2)[n-]1 ZINC001173797463 1051805960 /nfs/dbraw/zinc/80/59/60/1051805960.db2.gz NEDJVZWFWGAXIP-UHFFFAOYSA-N -1 3 301.349 4.475 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001216536116 1051808603 /nfs/dbraw/zinc/80/86/03/1051808603.db2.gz CMYYOHFMXNOAME-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001216536062 1051809381 /nfs/dbraw/zinc/80/93/81/1051809381.db2.gz AFGSXJKRTNGXMG-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cccc(Cl)c2C)no1 ZINC001216537222 1051811179 /nfs/dbraw/zinc/81/11/79/1051811179.db2.gz WJFKFZKLVQPJDP-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM COc1cc(Cl)ccc1-c1noc(-c2c(C)cccc2[O-])n1 ZINC001216537263 1051811623 /nfs/dbraw/zinc/81/16/23/1051811623.db2.gz XIGWLXZHJUJJGW-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1ccc(Cl)c(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216536916 1051811879 /nfs/dbraw/zinc/81/18/79/1051811879.db2.gz TXBFJXBNZDHQTM-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C)cc1[O-] ZINC000220096652 1051824232 /nfs/dbraw/zinc/82/42/32/1051824232.db2.gz LGBDNTUNJYAHQU-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM COc1c(F)cc(SC)cc1Nc1ccc([O-])c(F)c1F ZINC001216582952 1051825991 /nfs/dbraw/zinc/82/59/91/1051825991.db2.gz XLNIQSPOMZHRIO-UHFFFAOYSA-N -1 3 315.316 4.284 20 0 DIADHM CC(=O)c1cccc(Nc2ccc([O-])c(Br)c2)c1 ZINC001173901379 1051865659 /nfs/dbraw/zinc/86/56/59/1051865659.db2.gz VGKGQRXPMJPLGH-UHFFFAOYSA-N -1 3 306.159 4.101 20 0 DIADHM Cc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)cc(=O)[n-]1 ZINC001216685316 1051862332 /nfs/dbraw/zinc/86/23/32/1051862332.db2.gz BCNWLJLEIWOKRF-UHFFFAOYSA-N -1 3 318.336 4.042 20 0 DIADHM CC(=O)c1ccc(Nc2cc(Br)cc(F)c2[O-])cc1 ZINC001173898712 1051864440 /nfs/dbraw/zinc/86/44/40/1051864440.db2.gz KIQAEDCKGFUOMW-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM Cc1ccc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c(F)c1F ZINC001216702438 1051865764 /nfs/dbraw/zinc/86/57/64/1051865764.db2.gz SOZMTEWEEVBGPM-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1c(F)cccc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702024 1051865989 /nfs/dbraw/zinc/86/59/89/1051865989.db2.gz HEZXGYRBOATPAY-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1ccc(O)cc1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001216735793 1051870701 /nfs/dbraw/zinc/87/07/01/1051870701.db2.gz WQNCLJPPRUPWOL-UHFFFAOYSA-N -1 3 323.135 4.122 20 0 DIADHM COc1ccc(F)cc1Nc1cccc([O-])c1Br ZINC001173957514 1051893065 /nfs/dbraw/zinc/89/30/65/1051893065.db2.gz MXYWLALNADUPIL-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4ccccc4n3)no2)cc1F ZINC001216895196 1051901262 /nfs/dbraw/zinc/90/12/62/1051901262.db2.gz JEQPKQUCEVMQJE-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1 ZINC001216895671 1051903048 /nfs/dbraw/zinc/90/30/48/1051903048.db2.gz YIVLXAGGQKWXET-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM [O-]c1cc(-c2nc(-c3ccc(F)cc3)no2)cc(C(F)(F)F)c1 ZINC001216895501 1051903685 /nfs/dbraw/zinc/90/36/85/1051903685.db2.gz ASWCWMDOACGSAX-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1cc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)cnc1C ZINC001216907064 1051905805 /nfs/dbraw/zinc/90/58/05/1051905805.db2.gz ATRXIDHRCMRYPX-UHFFFAOYSA-N -1 3 323.396 4.419 20 0 DIADHM Cc1ncccc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216908285 1051905920 /nfs/dbraw/zinc/90/59/20/1051905920.db2.gz XPTALOLJUPRKOR-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM CCc1cccnc1-c1noc(-c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001216907398 1051906129 /nfs/dbraw/zinc/90/61/29/1051906129.db2.gz IXEKGBOHJVXTJP-UHFFFAOYSA-N -1 3 323.396 4.364 20 0 DIADHM CCOc1cccc(-c2nc(-c3cccc(C)c3C)no2)c1[O-] ZINC001216955760 1051916978 /nfs/dbraw/zinc/91/69/78/1051916978.db2.gz BQEUAATZWUWXGN-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(F)c(Br)c2)c1 ZINC000223150275 1051942070 /nfs/dbraw/zinc/94/20/70/1051942070.db2.gz LRWQXBHTHLSCFW-UHFFFAOYSA-N -1 3 314.129 4.045 20 0 DIADHM COc1ccc(OC)c(OC)c1Nc1ccc(C)c([O-])c1Cl ZINC001174054764 1051942725 /nfs/dbraw/zinc/94/27/25/1051942725.db2.gz FYZVFAKQCLQFFF-UHFFFAOYSA-N -1 3 323.776 4.123 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001217084994 1051948237 /nfs/dbraw/zinc/94/82/37/1051948237.db2.gz CVXGLJIFIMHKMX-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM Fc1ccc(Cl)cc1-c1noc(-c2nc3ccccc3[n-]2)n1 ZINC001217137197 1051973539 /nfs/dbraw/zinc/97/35/39/1051973539.db2.gz RMTDSHHKJHZXNC-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM CC(C)CNC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174079173 1051996248 /nfs/dbraw/zinc/99/62/48/1051996248.db2.gz MZRXVSUZYYWVEC-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM Cc1cc(C)cc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c1 ZINC001217322640 1052023305 /nfs/dbraw/zinc/02/33/05/1052023305.db2.gz FCMZLPLAUUVCED-UHFFFAOYSA-N -1 3 308.316 4.036 20 0 DIADHM CCCCNC(=O)c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174193010 1052042181 /nfs/dbraw/zinc/04/21/81/1052042181.db2.gz UUUMHSYGFOTYKS-UHFFFAOYSA-N -1 3 318.804 4.319 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nc(-c2ccccc2F)no1 ZINC001217452977 1052060353 /nfs/dbraw/zinc/06/03/53/1052060353.db2.gz LPZKFBGXZNURFD-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1 ZINC001217491692 1052075165 /nfs/dbraw/zinc/07/51/65/1052075165.db2.gz FZUUAGJZHSVASY-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nc(-c4ccc(F)cc4)no3)c2c1 ZINC001217500891 1052075740 /nfs/dbraw/zinc/07/57/40/1052075740.db2.gz FSQFLFYJXPNBNF-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCc1cccc(C(=O)N(CC)c2ccc(Cl)cc2)c1[O-] ZINC000769683199 1052088791 /nfs/dbraw/zinc/08/87/91/1052088791.db2.gz WWDUBQUSIUNSEN-UHFFFAOYSA-N -1 3 303.789 4.275 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(C(F)(F)F)nc3)nc21 ZINC001174310090 1052091940 /nfs/dbraw/zinc/09/19/40/1052091940.db2.gz XMVUJBZZNVOXRO-UHFFFAOYSA-N -1 3 311.288 4.159 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)c2ccc(C)c(Cl)c2)c1 ZINC000769852686 1052112746 /nfs/dbraw/zinc/11/27/46/1052112746.db2.gz BBLKGQYVAXXNIK-UHFFFAOYSA-N -1 3 303.789 4.193 20 0 DIADHM Cc1cc(=O)[n-]c(CSCC2CCC(C(F)(F)F)CC2)n1 ZINC000769846479 1052118359 /nfs/dbraw/zinc/11/83/59/1052118359.db2.gz PMQVZXXSVGOKME-UHFFFAOYSA-N -1 3 320.380 4.093 20 0 DIADHM CCOc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000254747138 1052158583 /nfs/dbraw/zinc/15/85/83/1052158583.db2.gz RWTSBLZRCLRZSA-UHFFFAOYSA-N -1 3 320.186 4.304 20 0 DIADHM CC(C)(O)c1cccc(Nc2cccc([O-])c2Br)c1 ZINC001174407457 1052162616 /nfs/dbraw/zinc/16/26/16/1052162616.db2.gz JUFDLCNBCKZVGL-UHFFFAOYSA-N -1 3 322.202 4.126 20 0 DIADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1c(Cl)cncc1Cl ZINC001234848319 1052259916 /nfs/dbraw/zinc/25/99/16/1052259916.db2.gz PCARKUFLNULDIO-ZCFIWIBFSA-N -1 3 314.197 4.466 20 0 DIADHM C[C@@H](Oc1nc2sccc2[n-]1)c1c(Cl)cncc1Cl ZINC001234848319 1052259930 /nfs/dbraw/zinc/25/99/30/1052259930.db2.gz PCARKUFLNULDIO-ZCFIWIBFSA-N -1 3 314.197 4.466 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2cccs2)ccc1N ZINC001219436358 1052287741 /nfs/dbraw/zinc/28/77/41/1052287741.db2.gz UTSQGEDIFIBBRD-UHFFFAOYSA-N -1 3 324.405 4.264 20 0 DIADHM CCc1ccc(OC(=O)c2cc3ccsc3[n-]2)c(OC)c1 ZINC000762194622 1052333522 /nfs/dbraw/zinc/33/35/22/1052333522.db2.gz BOYBBNSQANOHEV-UHFFFAOYSA-N -1 3 301.367 4.020 20 0 DIADHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([O-])c(F)c1 ZINC000316358935 1052367204 /nfs/dbraw/zinc/36/72/04/1052367204.db2.gz ZYHBCHIIFBIBOQ-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235478044 1052413939 /nfs/dbraw/zinc/41/39/39/1052413939.db2.gz QBIHEZKKQOHTLD-JTQLQIEISA-N -1 3 307.752 4.018 20 0 DIADHM O=C([N-]CCCSc1ccc2ccccc2c1)C(F)(F)F ZINC000762756173 1052419749 /nfs/dbraw/zinc/41/97/49/1052419749.db2.gz ICCXICNYPHOZEH-UHFFFAOYSA-N -1 3 313.344 4.001 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCCc2ccccc21 ZINC000236602057 1052427141 /nfs/dbraw/zinc/42/71/41/1052427141.db2.gz BRGMCPWXGUHXET-UHFFFAOYSA-N -1 3 301.773 4.029 20 0 DIADHM COCc1ccc(Cl)c(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001222278735 1052472416 /nfs/dbraw/zinc/47/24/16/1052472416.db2.gz DMANXTXQVNJWFH-UHFFFAOYSA-N -1 3 303.814 4.449 20 0 DIADHM CCCOc1ccc(OC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000916854042 1052660547 /nfs/dbraw/zinc/66/05/47/1052660547.db2.gz VYXBTFPATRYWLZ-UHFFFAOYSA-N -1 3 301.367 4.237 20 0 DIADHM C/C=C/c1ccc(OC(=O)c2cc3ccsc3[n-]2)c(OC)c1 ZINC000916857188 1052660977 /nfs/dbraw/zinc/66/09/77/1052660977.db2.gz PVSNHYSYTVGZPS-ONEGZZNKSA-N -1 3 313.378 4.490 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)ccc1F ZINC000067145512 1052701295 /nfs/dbraw/zinc/70/12/95/1052701295.db2.gz HPCMVTOASZSPDT-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CCc1ccc([C@@H](C)CC(=O)Nc2cccc([O-])c2F)cc1 ZINC000128360913 1052720182 /nfs/dbraw/zinc/72/01/82/1052720182.db2.gz JFUPQVSAOJJWCS-LBPRGKRZSA-N -1 3 301.361 4.226 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000128645359 1052739701 /nfs/dbraw/zinc/73/97/01/1052739701.db2.gz WIALVPBDZWRVFM-HOTGVXAUSA-N -1 3 321.351 4.427 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C1(c2ccc(F)cc2)CCCC1 ZINC000128765094 1052751370 /nfs/dbraw/zinc/75/13/70/1052751370.db2.gz AYHOCKDTDMDVQQ-UHFFFAOYSA-N -1 3 317.335 4.121 20 0 DIADHM [O-]c1cccc2sc(Nc3ccnc(Cl)c3Cl)nc21 ZINC001212230452 1052762601 /nfs/dbraw/zinc/76/26/01/1052762601.db2.gz VOEKQRDADHOSLI-UHFFFAOYSA-N -1 3 312.181 4.447 20 0 DIADHM Cc1ccc(Cl)cc1[C@H](C)Oc1ccc2c([O-])coc2c1 ZINC001225343161 1052777128 /nfs/dbraw/zinc/77/71/28/1052777128.db2.gz QVEJBRDTIANPEZ-NSHDSACASA-N -1 3 302.757 4.364 20 0 DIADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cccc(C(F)(F)F)c1 ZINC001225343170 1052777584 /nfs/dbraw/zinc/77/75/84/1052777584.db2.gz RONLEJCPECBDPN-SNVBAGLBSA-N -1 3 322.282 4.421 20 0 DIADHM C[C@H](Oc1ccc2c([O-])coc2c1)c1ccc(C(F)(F)F)cc1 ZINC001225343117 1052777611 /nfs/dbraw/zinc/77/76/11/1052777611.db2.gz PUXRMXADURRDBW-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc(Cl)cc1Cl ZINC000129634173 1052799904 /nfs/dbraw/zinc/79/99/04/1052799904.db2.gz DYZLKUSJDLIZML-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccc(OC)cc1 ZINC000129621547 1052798795 /nfs/dbraw/zinc/79/87/95/1052798795.db2.gz GKHSNIWVCORGTP-GFCCVEGCSA-N -1 3 317.360 4.062 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(SC(F)F)cc1 ZINC000174870848 1052832612 /nfs/dbraw/zinc/83/26/12/1052832612.db2.gz PTXJNESWQSYUIW-UHFFFAOYSA-N -1 3 313.300 4.098 20 0 DIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1c(F)cccc1F ZINC000918939661 1052843490 /nfs/dbraw/zinc/84/34/90/1052843490.db2.gz IUWWVFRKFJQWTP-QMMMGPOBSA-N -1 3 307.321 4.426 20 0 DIADHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1F ZINC000919047577 1052849468 /nfs/dbraw/zinc/84/94/68/1052849468.db2.gz WHPAXDHNXQMYIN-ZETCQYMHSA-N -1 3 302.132 4.379 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CCCc3c(Cl)ccnc32)c1 ZINC001225993531 1052856473 /nfs/dbraw/zinc/85/64/73/1052856473.db2.gz HBDXWKYSIKFMPO-HNNXBMFYSA-N -1 3 317.772 4.100 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCCC[C@H]1C1CCC1 ZINC000649196177 1052869338 /nfs/dbraw/zinc/86/93/38/1052869338.db2.gz GYAAQMJSPVVSBF-KRWDZBQOSA-N -1 3 319.420 4.035 20 0 DIADHM CCOc1ccc([C@H](C)Oc2[n-]c(=S)ncc2C2CC2)cc1 ZINC001226119388 1052870571 /nfs/dbraw/zinc/87/05/71/1052870571.db2.gz NKQBFPJZIWODHS-NSHDSACASA-N -1 3 316.426 4.181 20 0 DIADHM S=c1ncc(C2CC2)c(O[C@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001226119213 1052870624 /nfs/dbraw/zinc/87/06/24/1052870624.db2.gz LOLLJYQERQAOQJ-AWEZNQCLSA-N -1 3 318.829 4.362 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1csc(Cl)c1 ZINC001226295108 1052884223 /nfs/dbraw/zinc/88/42/23/1052884223.db2.gz CNYJYTHUCZUBAN-SSDOTTSWSA-N -1 3 312.847 4.109 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H](C)c2ccccc2C)c1[O-] ZINC000556892509 1052895717 /nfs/dbraw/zinc/89/57/17/1052895717.db2.gz KLWHMNNKKDETRR-CYBMUJFWSA-N -1 3 311.381 4.036 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c1O ZINC001226483324 1052901278 /nfs/dbraw/zinc/90/12/78/1052901278.db2.gz VWQNLUMFADGSNN-KFNAQCHYSA-N -1 3 306.402 4.140 20 0 DIADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(O[C@@H]3C=CCC3)c2o1 ZINC001226489524 1052902906 /nfs/dbraw/zinc/90/29/06/1052902906.db2.gz KLYJLTOFTWMNAS-CQSZACIVSA-N -1 3 320.344 4.263 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@@H](C)CC[C@@H]3C)cc12 ZINC001226531917 1052907566 /nfs/dbraw/zinc/90/75/66/1052907566.db2.gz JPLCGCHOGGPVKN-ZIBATOQPSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3cccs3)cc12 ZINC001226533145 1052907599 /nfs/dbraw/zinc/90/75/99/1052907599.db2.gz AOUSLCVBQUHXBE-SNVBAGLBSA-N -1 3 302.351 4.009 20 0 DIADHM C[C@H]1C[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(C)(C)C1 ZINC001226596478 1052914436 /nfs/dbraw/zinc/91/44/36/1052914436.db2.gz KMLFNLBJLVETQC-WCQYABFASA-N -1 3 302.370 4.092 20 0 DIADHM O=C(c1ccco1)[C@@H](Oc1cccc([O-])c1Cl)c1ccco1 ZINC001226708600 1052923899 /nfs/dbraw/zinc/92/38/99/1052923899.db2.gz HIUXFUUUMXRABY-INIZCTEOSA-N -1 3 318.712 4.235 20 0 DIADHM C[C@H](Oc1ccnc(=S)[n-]1)c1c(Cl)cccc1Cl ZINC001226941121 1052947082 /nfs/dbraw/zinc/94/70/82/1052947082.db2.gz YTHZXOWUWVVKDZ-ZETCQYMHSA-N -1 3 301.198 4.212 20 0 DIADHM O=c1ccc(O[C@@H](/C=C/c2ccccc2)c2ccccc2)n[n-]1 ZINC001227093842 1052960673 /nfs/dbraw/zinc/96/06/73/1052960673.db2.gz UOMVODDLLRVWAY-FLVLSHQESA-N -1 3 304.349 4.016 20 0 DIADHM O=c1ccc(O[C@H](c2ccccc2)c2ccccc2Cl)n[n-]1 ZINC001227094041 1052961015 /nfs/dbraw/zinc/96/10/15/1052961015.db2.gz ZAKSANATGNZENO-QGZVFWFLSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1cc(O[C@H]2CCc3cc(F)ccc32)[n-]c(C(F)(F)F)c1 ZINC001227582832 1053001868 /nfs/dbraw/zinc/00/18/68/1053001868.db2.gz GDXCDIKWDIWAJW-LBPRGKRZSA-N -1 3 313.250 4.011 20 0 DIADHM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1c([O-])cccc1Cl ZINC000615322211 1053013390 /nfs/dbraw/zinc/01/33/90/1053013390.db2.gz OGBDWKDROWZZAM-BXUZGUMPSA-N -1 3 315.747 4.200 20 0 DIADHM CCC[C@H](Oc1ncc(Cl)cc1[O-])c1ccc(OC)cc1 ZINC001227982646 1053033047 /nfs/dbraw/zinc/03/30/47/1053033047.db2.gz GAECXBVFXJOBHQ-HNNXBMFYSA-N -1 3 307.777 4.369 20 0 DIADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1c(Cl)cncc1Cl ZINC001227979254 1053033215 /nfs/dbraw/zinc/03/32/15/1053033215.db2.gz BCNRAMJBBQHNHW-LURJTMIESA-N -1 3 319.575 4.282 20 0 DIADHM C[C@@H](Oc1ncc(Cl)cc1[O-])c1c(Cl)cncc1Cl ZINC001227979257 1053033287 /nfs/dbraw/zinc/03/32/87/1053033287.db2.gz BCNRAMJBBQHNHW-ZCFIWIBFSA-N -1 3 319.575 4.282 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)c1ccncc1F ZINC001228134833 1053046197 /nfs/dbraw/zinc/04/61/97/1053046197.db2.gz SCSLDUZBNBDKPA-LBPRGKRZSA-N -1 3 317.360 4.221 20 0 DIADHM C[C@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])c1ccncc1 ZINC001228152664 1053048108 /nfs/dbraw/zinc/04/81/08/1053048108.db2.gz RHEWMFQGCRKJEZ-AWEZNQCLSA-N -1 3 319.360 4.158 20 0 DIADHM CC(=O)c1ccc(C)c(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001228351961 1053081634 /nfs/dbraw/zinc/08/16/34/1053081634.db2.gz LTCDROJANPITPD-LJQANCHMSA-N -1 3 324.332 4.387 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1ncoc1C1CC1 ZINC000617252918 1053117780 /nfs/dbraw/zinc/11/77/80/1053117780.db2.gz CRLADUWCQLKPTM-UHFFFAOYSA-N -1 3 308.790 4.180 20 0 DIADHM CCCc1nc(C)c(C(=O)[N-]c2cccc(F)c2SC)o1 ZINC000617275144 1053119163 /nfs/dbraw/zinc/11/91/63/1053119163.db2.gz VOAGJZHLZTVKGG-UHFFFAOYSA-N -1 3 308.378 4.049 20 0 DIADHM CC(C)=CCC[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228622009 1053147644 /nfs/dbraw/zinc/14/76/44/1053147644.db2.gz GLYNEOQGGREZHU-CYBMUJFWSA-N -1 3 302.370 4.321 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1C[C@@H](C)C[C@H](C)C1 ZINC001228623241 1053148517 /nfs/dbraw/zinc/14/85/17/1053148517.db2.gz QEYUHYDILDTWHM-QWRGUYRKSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)CCc1ccccc1 ZINC001228623356 1053149291 /nfs/dbraw/zinc/14/92/91/1053149291.db2.gz RQVHQEHTDCDHMN-CQSZACIVSA-N -1 3 324.376 4.207 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)c1ccccc1F ZINC001228631372 1053151828 /nfs/dbraw/zinc/15/18/28/1053151828.db2.gz WWQJJGUGAQTRMX-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccc2ccccc2c1 ZINC001228694648 1053160661 /nfs/dbraw/zinc/16/06/61/1053160661.db2.gz CYAKLVMJBHFLSD-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccc2ccccc2c1 ZINC001228694648 1053160671 /nfs/dbraw/zinc/16/06/71/1053160671.db2.gz CYAKLVMJBHFLSD-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccc2ccccc2c1 ZINC001228694648 1053160677 /nfs/dbraw/zinc/16/06/77/1053160677.db2.gz CYAKLVMJBHFLSD-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM CCCC[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228697546 1053161083 /nfs/dbraw/zinc/16/10/83/1053161083.db2.gz JUPWQLPSGFENFT-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228697546 1053161087 /nfs/dbraw/zinc/16/10/87/1053161087.db2.gz JUPWQLPSGFENFT-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228697546 1053161092 /nfs/dbraw/zinc/16/10/92/1053161092.db2.gz JUPWQLPSGFENFT-INIZCTEOSA-N -1 3 308.385 4.177 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1CCC(=O)CC1(C)C ZINC001228959394 1053213237 /nfs/dbraw/zinc/21/32/37/1053213237.db2.gz YULWZMAYMGMEIU-GOSISDBHSA-N -1 3 318.413 4.245 20 0 DIADHM C[C@@H]1CC[C@@H](Oc2cc(O)cc([O-])c2Br)C[C@H]1C ZINC001229098940 1053245833 /nfs/dbraw/zinc/24/58/33/1053245833.db2.gz GZKBRVQUPBBZBI-FXPVBKGRSA-N -1 3 315.207 4.064 20 0 DIADHM CCC[C@@H](Oc1cc(O)cc([O-])c1Br)C(C)C ZINC001229100443 1053245982 /nfs/dbraw/zinc/24/59/82/1053245982.db2.gz SFRJNSSHWPCXPO-LLVKDONJSA-N -1 3 303.196 4.064 20 0 DIADHM CC[C@@H](C)CC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097804 1053246138 /nfs/dbraw/zinc/24/61/38/1053246138.db2.gz XVSMOKMWRBGTQE-ZJUUUORDSA-N -1 3 317.223 4.454 20 0 DIADHM CCCC(CCC)Oc1cc(O)cc([O-])c1Br ZINC001229099976 1053246453 /nfs/dbraw/zinc/24/64/53/1053246453.db2.gz OCFYKCWATSZDDZ-UHFFFAOYSA-N -1 3 303.196 4.208 20 0 DIADHM CC[C@@H](Oc1cc(O)cc([O-])c1Br)C(C)(C)C ZINC001229099421 1053246481 /nfs/dbraw/zinc/24/64/81/1053246481.db2.gz JYJUSDNSKRBESF-LLVKDONJSA-N -1 3 303.196 4.064 20 0 DIADHM CC(C)(C)O[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC001319589232 1053253045 /nfs/dbraw/zinc/25/30/45/1053253045.db2.gz GCCNDWRPJSKCDK-UHFFFAOYSA-N -1 3 310.246 4.224 20 0 DIADHM CCCC(=O)[C@@H](CCC)Oc1cccc([O-])c1Br ZINC001229139950 1053257473 /nfs/dbraw/zinc/25/74/73/1053257473.db2.gz PCUDHLHIKQWDPV-GFCCVEGCSA-N -1 3 315.207 4.071 20 0 DIADHM C[C@H](Oc1cccc([O-])c1Br)c1cccc(F)c1 ZINC001229140055 1053257510 /nfs/dbraw/zinc/25/75/10/1053257510.db2.gz SIQADRROIZPOBM-VIFPVBQESA-N -1 3 311.150 4.434 20 0 DIADHM O=c1cc(-c2ccccc2)c2cc(OC3CCCC3)c([O-])cc2o1 ZINC001229267733 1053287715 /nfs/dbraw/zinc/28/77/15/1053287715.db2.gz RBVDWLNFTQRFQI-UHFFFAOYSA-N -1 3 322.360 4.487 20 0 DIADHM Cc1csc2[n-]c(=S)nc(O[C@H](C)c3cccs3)c12 ZINC001229353041 1053304603 /nfs/dbraw/zinc/30/46/03/1053304603.db2.gz JYJAFJLJEZOAQP-MRVPVSSYSA-N -1 3 308.453 4.490 20 0 DIADHM CCCc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)C)cc1 ZINC001352332692 1053308723 /nfs/dbraw/zinc/30/87/23/1053308723.db2.gz XHOBTVPSCDKKHS-ZDUSSCGKSA-N -1 3 319.342 4.353 20 0 DIADHM S=c1nc(O[C@H]2CCc3ccccc32)c2ccsc2[n-]1 ZINC001229566507 1053355483 /nfs/dbraw/zinc/35/54/83/1053355483.db2.gz RAIFJQQFYATZON-LBPRGKRZSA-N -1 3 300.408 4.046 20 0 DIADHM C[C@H](Oc1nc(=S)[n-]c2sccc21)c1cccc(F)c1 ZINC001229570054 1053356378 /nfs/dbraw/zinc/35/63/78/1053356378.db2.gz NJGGDKZLAULQRC-QMMMGPOBSA-N -1 3 306.387 4.259 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccccc2SC(C)C)c1 ZINC001545762929 1053363840 /nfs/dbraw/zinc/36/38/40/1053363840.db2.gz ZWWBNWAPCJWOMS-UHFFFAOYSA-N -1 3 317.410 4.154 20 0 DIADHM CCc1ccc2nc(-c3ccc(C(F)(F)F)cc3)[n-]c(=O)c2c1 ZINC001321896640 1053440666 /nfs/dbraw/zinc/44/06/66/1053440666.db2.gz WTZVATWJBGTILI-UHFFFAOYSA-N -1 3 318.298 4.171 20 0 DIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263091271 1053604720 /nfs/dbraw/zinc/60/47/20/1053604720.db2.gz AIHRPTUTBDQOON-CKYFFXLPSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263091273 1053604819 /nfs/dbraw/zinc/60/48/19/1053604819.db2.gz AIHRPTUTBDQOON-FOGDFJRCSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@H](c1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263346642 1053611690 /nfs/dbraw/zinc/61/16/90/1053611690.db2.gz OTJCQFPAEZWSFY-MXWKQRLJSA-N -1 3 316.228 4.097 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1cc(F)c(Cl)cc1Cl ZINC001324295216 1053642711 /nfs/dbraw/zinc/64/27/11/1053642711.db2.gz PDJZGGUFGADALG-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC001231114917 1053677806 /nfs/dbraw/zinc/67/78/06/1053677806.db2.gz BYJSHIGEHQUFOD-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC001231114917 1053677813 /nfs/dbraw/zinc/67/78/13/1053677813.db2.gz BYJSHIGEHQUFOD-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000620636058 1053691220 /nfs/dbraw/zinc/69/12/20/1053691220.db2.gz KNBKWJIJRNDANA-GWCFXTLKSA-N -1 3 319.788 4.333 20 0 DIADHM C[C@@H](Oc1ccccc1Oc1ccccc1[O-])c1ncccn1 ZINC001231219234 1053703297 /nfs/dbraw/zinc/70/32/97/1053703297.db2.gz STHFJRACRSQHAJ-CYBMUJFWSA-N -1 3 308.337 4.115 20 0 DIADHM Cc1cc(NC(=O)c2c(C)cccc2[O-])cc(C(F)(F)F)c1 ZINC001300452086 1053709396 /nfs/dbraw/zinc/70/93/96/1053709396.db2.gz QIPRHPIYKUIXTP-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM O=C(Oc1cc(Cl)ccc1F)c1cccc(Cl)c1[O-] ZINC001354044400 1053746917 /nfs/dbraw/zinc/74/69/17/1053746917.db2.gz OEKHGAYEHQORCH-UHFFFAOYSA-N -1 3 301.100 4.057 20 0 DIADHM CCc1ccc(C(=O)N(CCc2ccccc2)C(C)C)c([O-])c1 ZINC001326144835 1053761094 /nfs/dbraw/zinc/76/10/94/1053761094.db2.gz WIDSQEWPHRRSDV-UHFFFAOYSA-N -1 3 311.425 4.048 20 0 DIADHM [O-]c1ccc(CN2CC[C@H]2c2ccccc2)cc1C(F)(F)F ZINC001231522802 1053777611 /nfs/dbraw/zinc/77/76/11/1053777611.db2.gz KVVIQUNHCCXGSI-HNNXBMFYSA-N -1 3 307.315 4.358 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2c2ccccn2)cc1C(F)(F)F ZINC001231523940 1053780483 /nfs/dbraw/zinc/78/04/83/1053780483.db2.gz BUPYGPJSEWTYMV-OAHLLOKOSA-N -1 3 322.330 4.143 20 0 DIADHM COc1ccccc1[C@@H](C)N(C)Cc1ccc(Cl)c([O-])c1 ZINC001231737628 1053843370 /nfs/dbraw/zinc/84/33/70/1053843370.db2.gz UVTHCLGOKYFUTM-GFCCVEGCSA-N -1 3 305.805 4.247 20 0 DIADHM COc1ccccc1[C@H]1CCCN1Cc1ccc(Cl)c([O-])c1 ZINC001231734443 1053844611 /nfs/dbraw/zinc/84/46/11/1053844611.db2.gz ZHLKEZMXSFWPEQ-MRXNPFEDSA-N -1 3 317.816 4.391 20 0 DIADHM [O-]c1cccc(Cl)c1NC(=S)Nc1cc(F)cc(F)c1 ZINC001200669160 1053869031 /nfs/dbraw/zinc/86/90/31/1053869031.db2.gz KOTZCNDVLPPFEK-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM Clc1ccc(-c2ccc(C[N-]c3nnco3)o2)cc1Cl ZINC000472574714 1053899493 /nfs/dbraw/zinc/89/94/93/1053899493.db2.gz OQHVTZNZOIFCKW-UHFFFAOYSA-N -1 3 310.140 4.249 20 0 DIADHM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000621548466 1053985647 /nfs/dbraw/zinc/98/56/47/1053985647.db2.gz AFJHDTRAUMMUDU-UHFFFAOYSA-N -1 3 321.417 4.215 20 0 DIADHM CC[C@H](COC(=O)CCCc1ccc([O-])c(F)c1)CC(F)F ZINC001330210018 1054028666 /nfs/dbraw/zinc/02/86/66/1054028666.db2.gz GVSQBEIUVRGFGT-NSHDSACASA-N -1 3 318.335 4.079 20 0 DIADHM [O-]c1c(Cl)ccc(CN2CC3CCC(CC3)C2)c1Cl ZINC001232627294 1054087623 /nfs/dbraw/zinc/08/76/23/1054087623.db2.gz IKZNTPQWRCQSHY-UHFFFAOYSA-N -1 3 300.229 4.321 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H](Oc3ccccc3)C2)c1Cl ZINC001232786630 1054117842 /nfs/dbraw/zinc/11/78/42/1054117842.db2.gz CLYWIVZOSOLXOW-INIZCTEOSA-N -1 3 317.816 4.089 20 0 DIADHM Cc1ccccc1O[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC001232786958 1054117925 /nfs/dbraw/zinc/11/79/25/1054117925.db2.gz HJSJXKJMMTXBLA-HNNXBMFYSA-N -1 3 317.816 4.007 20 0 DIADHM Cc1ccc(F)cc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622275926 1054140264 /nfs/dbraw/zinc/14/02/64/1054140264.db2.gz XLYUMYVYKJSPLT-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM [O-]c1c(F)ccc(CN2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001232934969 1054149937 /nfs/dbraw/zinc/14/99/37/1054149937.db2.gz LQLNIOZHVTWOJS-LLVKDONJSA-N -1 3 323.770 4.313 20 0 DIADHM CC(C)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000622297378 1054156260 /nfs/dbraw/zinc/15/62/60/1054156260.db2.gz WNNCZORRBQGQJH-UHFFFAOYSA-N -1 3 323.436 4.244 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000622298710 1054157756 /nfs/dbraw/zinc/15/77/56/1054157756.db2.gz SPIXKPXBISTYAD-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000622301623 1054160373 /nfs/dbraw/zinc/16/03/73/1054160373.db2.gz FPZIEPLHRCWHJI-UHFFFAOYSA-N -1 3 309.287 4.078 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c([O-])c1 ZINC000622317241 1054169346 /nfs/dbraw/zinc/16/93/46/1054169346.db2.gz RQGMUYQUAMMXKX-QGZVFWFLSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccc(C)s2)C(C)C)c1[O-] ZINC000622328794 1054174038 /nfs/dbraw/zinc/17/40/38/1054174038.db2.gz LBKASTLQZGUHGR-UHFFFAOYSA-N -1 3 317.454 4.375 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000622338498 1054180428 /nfs/dbraw/zinc/18/04/28/1054180428.db2.gz NKDCBIWBXKAIAX-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM C[C@H]1CCCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622372978 1054188995 /nfs/dbraw/zinc/18/89/95/1054188995.db2.gz APTFGGQFEPIAKH-INIZCTEOSA-N -1 3 323.436 4.388 20 0 DIADHM Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3[O-])oc21 ZINC000622394101 1054206131 /nfs/dbraw/zinc/20/61/31/1054206131.db2.gz FMRDLUTYPLTALM-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)c([O-])c1 ZINC000622440618 1054216176 /nfs/dbraw/zinc/21/61/76/1054216176.db2.gz HWAKBPZXDOOXSK-GOSISDBHSA-N -1 3 309.409 4.295 20 0 DIADHM O=C(c1ccccc1)C1CCN(Cc2ccc([S-])cc2)CC1 ZINC001233258440 1054218203 /nfs/dbraw/zinc/21/82/03/1054218203.db2.gz FOTPGNGYMSEETR-UHFFFAOYSA-N -1 3 311.450 4.070 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1CCC1CCCCC1 ZINC000622447908 1054240331 /nfs/dbraw/zinc/24/03/31/1054240331.db2.gz VDUDJSGEXMPIHP-INIZCTEOSA-N -1 3 301.430 4.357 20 0 DIADHM CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCCCC1 ZINC000622486773 1054256781 /nfs/dbraw/zinc/25/67/81/1054256781.db2.gz ARWFAALBKSSLRR-UHFFFAOYSA-N -1 3 321.436 4.331 20 0 DIADHM COc1ccc(CN2Cc3ccccc3[C@@H](C)C2)c(Cl)c1[O-] ZINC001233397929 1054258541 /nfs/dbraw/zinc/25/85/41/1054258541.db2.gz QTLHIKSWYDEZDL-LBPRGKRZSA-N -1 3 317.816 4.174 20 0 DIADHM CCN(Cc1ccccc1)Cc1ccc(OC)c([O-])c1Cl ZINC001233397255 1054259140 /nfs/dbraw/zinc/25/91/40/1054259140.db2.gz QWPAWYBLUJOKME-UHFFFAOYSA-N -1 3 305.805 4.076 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccccc3Cl)C2)c1F ZINC001233395640 1054259494 /nfs/dbraw/zinc/25/94/94/1054259494.db2.gz HGLGYUGXBCJLNB-LLVKDONJSA-N -1 3 323.770 4.313 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001233394045 1054260409 /nfs/dbraw/zinc/26/04/09/1054260409.db2.gz XHVCLQXVZFLIOH-INIZCTEOSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H](c3ccccc3)C2)c1F ZINC001233395694 1054261201 /nfs/dbraw/zinc/26/12/01/1054261201.db2.gz JWLSIKCZZUWSMY-AWEZNQCLSA-N -1 3 303.352 4.050 20 0 DIADHM CCC[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622509784 1054264609 /nfs/dbraw/zinc/26/46/09/1054264609.db2.gz MOHBZFHLDGASAS-ZDUSSCGKSA-N -1 3 315.335 4.206 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H]1CCc2c1nccc2Cl ZINC001233592226 1054303591 /nfs/dbraw/zinc/30/35/91/1054303591.db2.gz KQPZJHPCZOOZJP-ZDUSSCGKSA-N -1 3 310.180 4.469 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H](c1cccnc1)C(F)(F)F ZINC001233593154 1054304877 /nfs/dbraw/zinc/30/48/77/1054304877.db2.gz UUEBMIONZREVQN-ZDUSSCGKSA-N -1 3 317.694 4.431 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OCc1ccnc(OC(C)C)c1 ZINC001233596466 1054305767 /nfs/dbraw/zinc/30/57/67/1054305767.db2.gz ZFLLOKIKTMMFHO-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM [O-]c1coc2ccc(OC3c4ccccc4-c4ccccc43)cc12 ZINC001233676946 1054328913 /nfs/dbraw/zinc/32/89/13/1054328913.db2.gz AYEUXMFFJIFWLU-UHFFFAOYSA-N -1 3 314.340 4.411 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001440437327 1054351653 /nfs/dbraw/zinc/35/16/53/1054351653.db2.gz YRESBGRRZQLRER-GDBMZVCRSA-N -1 3 301.430 4.168 20 0 DIADHM O=C([N-]c1cccc(F)c1F)c1oc(C2CC2)nc1C(F)F ZINC001340126934 1054357175 /nfs/dbraw/zinc/35/71/75/1054357175.db2.gz CVZPCKSLFHZPAT-UHFFFAOYSA-N -1 3 314.238 4.020 20 0 DIADHM CCOc1ccc([C@H](C)Oc2cccc([O-])c2F)c(OCC)c1 ZINC001233871871 1054378706 /nfs/dbraw/zinc/37/87/06/1054378706.db2.gz QWBYCGHVAIJDHH-LBPRGKRZSA-N -1 3 320.360 4.469 20 0 DIADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001441189965 1054386305 /nfs/dbraw/zinc/38/63/05/1054386305.db2.gz JUGGUPHJUXCYIB-SMDDNHRTSA-N -1 3 303.427 4.306 20 0 DIADHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c(C)cccc1[O-] ZINC001441492794 1054391985 /nfs/dbraw/zinc/39/19/85/1054391985.db2.gz ZKYGAXDTSPVQRH-CQSZACIVSA-N -1 3 313.397 4.046 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c1[O-] ZINC001441744067 1054398545 /nfs/dbraw/zinc/39/85/45/1054398545.db2.gz ROMAVHUGNXYNDO-SFHVURJKSA-N -1 3 323.436 4.192 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC001442364803 1054419329 /nfs/dbraw/zinc/41/93/29/1054419329.db2.gz JLCSSLSXUFJNBI-IBGZPJMESA-N -1 3 321.420 4.247 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)CC(C)C)c1 ZINC001442469693 1054423190 /nfs/dbraw/zinc/42/31/90/1054423190.db2.gz PPIPGBSVUFNRIO-UHFFFAOYSA-N -1 3 311.425 4.253 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC001443064772 1054439237 /nfs/dbraw/zinc/43/92/37/1054439237.db2.gz OKMUIRAMGWALCO-KRWDZBQOSA-N -1 3 309.409 4.111 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2Cl)c([O-])c1 ZINC001445382121 1054505808 /nfs/dbraw/zinc/50/58/08/1054505808.db2.gz VOZPECTWTOQAAA-JTQLQIEISA-N -1 3 321.779 4.238 20 0 DIADHM CC(C)[C@@H](C)N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000623017356 1054512934 /nfs/dbraw/zinc/51/29/34/1054512934.db2.gz MUOZFVHWBJQXHE-SNVBAGLBSA-N -1 3 315.335 4.060 20 0 DIADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1O[C@@H]1C=CCC1 ZINC001234379835 1054513040 /nfs/dbraw/zinc/51/30/40/1054513040.db2.gz ISNVZRIUXFRAFX-CYBMUJFWSA-N -1 3 320.344 4.263 20 0 DIADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1O[C@H]1C=CCC1 ZINC001234379836 1054513261 /nfs/dbraw/zinc/51/32/61/1054513261.db2.gz ISNVZRIUXFRAFX-ZDUSSCGKSA-N -1 3 320.344 4.263 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)ccc1Cl ZINC000174868584 1054515967 /nfs/dbraw/zinc/51/59/67/1054515967.db2.gz ZIOVDDWVIAGLQL-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@H](Oc1c([O-])cc(Cl)cc1F)c1cccc(N(C)C)c1 ZINC001234446406 1054523872 /nfs/dbraw/zinc/52/38/72/1054523872.db2.gz DVNVORPUDOCSPM-JTQLQIEISA-N -1 3 309.768 4.391 20 0 DIADHM Cc1ccc(OC[C@H](C)Oc2c([O-])cc(Cl)cc2F)cc1 ZINC001234443283 1054523896 /nfs/dbraw/zinc/52/38/96/1054523896.db2.gz FOVYQCAYJUIVLG-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001234443314 1054524047 /nfs/dbraw/zinc/52/40/47/1054524047.db2.gz GFYLICQBMNNRBD-OKILXGFUSA-N -1 3 322.763 4.311 20 0 DIADHM COc1ccc2c(c1)CC[C@H](Oc1c([O-])cc(Cl)cc1F)C2 ZINC001234443495 1054524636 /nfs/dbraw/zinc/52/46/36/1054524636.db2.gz HMTQTVCOLRJQSM-AWEZNQCLSA-N -1 3 322.763 4.130 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@@H](c1cccnc1)C(F)(F)F ZINC001234448118 1054527000 /nfs/dbraw/zinc/52/70/00/1054527000.db2.gz OZVAPPDVHQKTHG-LBPRGKRZSA-N -1 3 321.657 4.262 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC(C)(C)C2CCCCC2)c1 ZINC001446278469 1054533603 /nfs/dbraw/zinc/53/36/03/1054533603.db2.gz OFIVSWNXRPSWDS-UHFFFAOYSA-N -1 3 321.486 4.450 20 0 DIADHM O=C(CCCCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001446520486 1054537596 /nfs/dbraw/zinc/53/75/96/1054537596.db2.gz ZVUROYDFJREQEO-UHFFFAOYSA-N -1 3 303.789 4.397 20 0 DIADHM Cc1cccc(C)c1OCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001446529687 1054539832 /nfs/dbraw/zinc/53/98/32/1054539832.db2.gz UUEWTXIINIGVKH-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM CCC(CC)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001446579286 1054540103 /nfs/dbraw/zinc/54/01/03/1054540103.db2.gz DSSFNBVMPSKOLM-UHFFFAOYSA-N -1 3 303.324 4.080 20 0 DIADHM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447273477 1054559568 /nfs/dbraw/zinc/55/95/68/1054559568.db2.gz JHEVLFSLMJMDLH-CYBMUJFWSA-N -1 3 303.789 4.253 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1nccc2ccsc21 ZINC001357917464 1054567677 /nfs/dbraw/zinc/56/76/77/1054567677.db2.gz BTEBWHPFKSOGBW-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001546000107 1054574685 /nfs/dbraw/zinc/57/46/85/1054574685.db2.gz BFVNAGGQKJTBOH-WJYNOGRTSA-N -1 3 319.763 4.054 20 0 DIADHM O=c1[n-]cnc(O[C@@H]2CCCc3ccccc32)c1-c1ccccc1 ZINC001234688126 1054576773 /nfs/dbraw/zinc/57/67/73/1054576773.db2.gz FGJPSIIYRWMXIA-QGZVFWFLSA-N -1 3 318.376 4.306 20 0 DIADHM Cc1cccc2c1[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)CC2 ZINC001234689395 1054578828 /nfs/dbraw/zinc/57/88/28/1054578828.db2.gz RFUOBXYUWBOKBD-MRXNPFEDSA-N -1 3 318.376 4.224 20 0 DIADHM Cc1cc(CNC(=O)c2ccccc2[O-])ccc1-c1ccccc1 ZINC001448155363 1054590246 /nfs/dbraw/zinc/59/02/46/1054590246.db2.gz AXGYMTYHOYEUPG-UHFFFAOYSA-N -1 3 317.388 4.298 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2ccccc2F)c1C(C)=O ZINC001234791715 1054590828 /nfs/dbraw/zinc/59/08/28/1054590828.db2.gz QTRAABAWGQEGMB-LBPRGKRZSA-N -1 3 318.344 4.191 20 0 DIADHM COc1cc([O-])c(C)c(O[C@@H](C)c2ccccc2)c1C(C)=O ZINC001234791418 1054590874 /nfs/dbraw/zinc/59/08/74/1054590874.db2.gz QPFDJGBECAWLOG-ZDUSSCGKSA-N -1 3 300.354 4.052 20 0 DIADHM c1cc2nc(O[C@H]3CC[C@H](OCc4ccccc4)C3)[n-]c2s1 ZINC001234854990 1054602729 /nfs/dbraw/zinc/60/27/29/1054602729.db2.gz PCLPMMLSVRUXCC-KBPBESRZSA-N -1 3 314.410 4.141 20 0 DIADHM c1cc2[n-]c(O[C@H]3CC[C@H](OCc4ccccc4)C3)nc2s1 ZINC001234854990 1054602740 /nfs/dbraw/zinc/60/27/40/1054602740.db2.gz PCLPMMLSVRUXCC-KBPBESRZSA-N -1 3 314.410 4.141 20 0 DIADHM CCC(C)(C)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC001448965288 1054610025 /nfs/dbraw/zinc/61/00/25/1054610025.db2.gz KQYJPUPCAPSYTR-UHFFFAOYSA-N -1 3 313.397 4.341 20 0 DIADHM Cc1nc2c(cccc2NC(=O)c2cc3sccc3c([O-])c2)o1 ZINC001449471016 1054623081 /nfs/dbraw/zinc/62/30/81/1054623081.db2.gz SDWWRAAEXWESAL-UHFFFAOYSA-N -1 3 324.361 4.309 20 0 DIADHM CCC(C)(C)c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001450049823 1054634948 /nfs/dbraw/zinc/63/49/48/1054634948.db2.gz IWIBYLWPRDFBCV-UHFFFAOYSA-N -1 3 323.396 4.208 20 0 DIADHM CC(C)(CNC(=O)c1cc([O-])c2ccccc2c1)C1=CCCC1 ZINC001451005983 1054665306 /nfs/dbraw/zinc/66/53/06/1054665306.db2.gz UHVZWELHXKUCOB-UHFFFAOYSA-N -1 3 309.409 4.412 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC001451011517 1054665642 /nfs/dbraw/zinc/66/56/42/1054665642.db2.gz WCVZQBLIYWXCBT-JTQLQIEISA-N -1 3 321.829 4.259 20 0 DIADHM CS[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000179195940 1054670622 /nfs/dbraw/zinc/67/06/22/1054670622.db2.gz PAIMYYDGFXOLBG-AWEZNQCLSA-N -1 3 307.802 4.088 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c1 ZINC001452152691 1054695702 /nfs/dbraw/zinc/69/57/02/1054695702.db2.gz RMIINDKRDYYXLO-DOTOQJQBSA-N -1 3 315.457 4.243 20 0 DIADHM CCc1cccc(C(=O)Nc2c(F)cccc2NC(C)C)c1[O-] ZINC001452532163 1054705525 /nfs/dbraw/zinc/70/55/25/1054705525.db2.gz LUMSHOFKWLNIAQ-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2csc(-c3ccccc3)n2)c1 ZINC001452836855 1054718451 /nfs/dbraw/zinc/71/84/51/1054718451.db2.gz FTTRZCASKMOCMB-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM O=C([N-]c1c(F)cc(Cl)cc1F)c1csc(C2CC2)n1 ZINC000180339062 1054750078 /nfs/dbraw/zinc/75/00/78/1054750078.db2.gz VDOUKCDTYIQBQX-UHFFFAOYSA-N -1 3 314.744 4.204 20 0 DIADHM Cc1ccc2oc(C(=O)[N-]c3c(F)cc(Cl)cc3F)cc2n1 ZINC000180339487 1054751888 /nfs/dbraw/zinc/75/18/88/1054751888.db2.gz DEQVEXXFZILRBK-UHFFFAOYSA-N -1 3 322.698 4.320 20 0 DIADHM COC(=O)c1ccc2ccnc(-c3cc([O-])cc(Cl)c3)c2c1 ZINC001235899058 1054836554 /nfs/dbraw/zinc/83/65/54/1054836554.db2.gz BMEKZLHZMNRUCH-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CC(C)c1noc(-c2ccnc(-c3cc([O-])cc(Cl)c3)c2)n1 ZINC001235900141 1054836659 /nfs/dbraw/zinc/83/66/59/1054836659.db2.gz LIXGHDAPZBGCRG-UHFFFAOYSA-N -1 3 315.760 4.281 20 0 DIADHM CC(C)(C)OC(=O)Nc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235898927 1054836686 /nfs/dbraw/zinc/83/66/86/1054836686.db2.gz NVDQFVMXQWSMOM-UHFFFAOYSA-N -1 3 320.776 4.455 20 0 DIADHM COc1ccc(-c2cc(-c3cc([O-])cc(Cl)c3)ncn2)cc1 ZINC001235901319 1054839238 /nfs/dbraw/zinc/83/92/38/1054839238.db2.gz UAZZXXRQKYDPRS-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM Cc1ccc(-c2ccc(C(=O)Nc3cccc([O-])c3F)s2)o1 ZINC000183385647 1055044361 /nfs/dbraw/zinc/04/43/61/1055044361.db2.gz UNEAVOBRQUFJBA-UHFFFAOYSA-N -1 3 317.341 4.414 20 0 DIADHM COC(=O)c1c(F)ccc(SC)c1-c1c(F)ccc(C)c1[O-] ZINC001236423914 1055107021 /nfs/dbraw/zinc/10/70/21/1055107021.db2.gz FEJPOAVFDSBNHX-UHFFFAOYSA-N -1 3 324.348 4.154 20 0 DIADHM O=c1ccnc(C=Cc2cccc(OCc3ccccc3F)c2)[n-]1 ZINC000764434714 1055185322 /nfs/dbraw/zinc/18/53/22/1055185322.db2.gz MPLSKMROLYYHPV-HJWRWDBZSA-N -1 3 322.339 4.071 20 0 DIADHM O=c1ccnc(C=Cc2ccc(OCc3ccc(F)cc3)cc2)[n-]1 ZINC000764436872 1055185846 /nfs/dbraw/zinc/18/58/46/1055185846.db2.gz WCTPXGLPXWAWGP-YHYXMXQVSA-N -1 3 322.339 4.071 20 0 DIADHM COc1ccccc1-c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764434712 1055186114 /nfs/dbraw/zinc/18/61/14/1055186114.db2.gz MLMNMFIWJCVHSY-FLIBITNWSA-N -1 3 304.349 4.028 20 0 DIADHM [O-]c1cc(CN2CCC23CCCCC3)ccc1Br ZINC001236682803 1055229758 /nfs/dbraw/zinc/22/97/58/1055229758.db2.gz DVQJDZRCQJZTAS-UHFFFAOYSA-N -1 3 310.235 4.063 20 0 DIADHM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccoc1Cl ZINC000764747455 1055243177 /nfs/dbraw/zinc/24/31/77/1055243177.db2.gz SDDWMUYEARQIHF-UHFFFAOYSA-N -1 3 311.794 4.085 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC001587606349 1055336368 /nfs/dbraw/zinc/33/63/68/1055336368.db2.gz ADUHEGARHXUMPP-UHFFFAOYSA-N -1 3 307.393 4.173 20 0 DIADHM CC[C@H](C)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001587734908 1055353180 /nfs/dbraw/zinc/35/31/80/1055353180.db2.gz YULAPXWYAUCVMN-ZDUSSCGKSA-N -1 3 320.392 4.294 20 0 DIADHM CC[C@@H](C)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001587734907 1055354209 /nfs/dbraw/zinc/35/42/09/1055354209.db2.gz YULAPXWYAUCVMN-CYBMUJFWSA-N -1 3 320.392 4.294 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c([O-])c1 ZINC001587745632 1055356974 /nfs/dbraw/zinc/35/69/74/1055356974.db2.gz RUYALXRVQADNLA-SFHVURJKSA-N -1 3 311.425 4.472 20 0 DIADHM CCc1ccc(C(=O)N[C@H](CC)c2ccc(Cl)cc2)c([O-])c1 ZINC001587776746 1055364157 /nfs/dbraw/zinc/36/41/57/1055364157.db2.gz MVEPYWHYBDTYDG-MRXNPFEDSA-N -1 3 317.816 4.489 20 0 DIADHM CCc1cccc(C(=O)N[C@H](CC)c2ccc(Cl)cc2)c1[O-] ZINC001587776523 1055365453 /nfs/dbraw/zinc/36/54/53/1055365453.db2.gz LOZZLSYDPUEMAF-MRXNPFEDSA-N -1 3 317.816 4.489 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(F)c2C(C)(F)F)c1[O-] ZINC001587859182 1055381838 /nfs/dbraw/zinc/38/18/38/1055381838.db2.gz JJRPRBHWMZEYFB-UHFFFAOYSA-N -1 3 309.287 4.204 20 0 DIADHM O=c1[n-]c(Cl)c(CN2CCCC[C@H]2c2ccccc2)s1 ZINC001237153329 1055385820 /nfs/dbraw/zinc/38/58/20/1055385820.db2.gz FDJANBXFIJEFBD-LBPRGKRZSA-N -1 3 308.834 4.229 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1sc(=O)[n-]c1Cl ZINC001237165395 1055392260 /nfs/dbraw/zinc/39/22/60/1055392260.db2.gz OINVKXWBDRTBKY-QMMMGPOBSA-N -1 3 317.241 4.349 20 0 DIADHM FC(F)(F)c1ccc2c(c1)CN(Cc1occc1[S-])CC2 ZINC001237193040 1055398873 /nfs/dbraw/zinc/39/88/73/1055398873.db2.gz WNXANCMVMBTZAJ-UHFFFAOYSA-N -1 3 313.344 4.145 20 0 DIADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001237284018 1055416487 /nfs/dbraw/zinc/41/64/87/1055416487.db2.gz QZBNFSROFIJWOY-QGZVFWFLSA-N -1 3 307.315 4.147 20 0 DIADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1cc([O-])cc(F)c1 ZINC001237288441 1055417902 /nfs/dbraw/zinc/41/79/02/1055417902.db2.gz YPQKCUDQBYRZGD-SFHVURJKSA-N -1 3 315.388 4.015 20 0 DIADHM O=C(Nc1cccc2ncccc21)c1cc([O-])c2ccccc2c1 ZINC000471558011 1055426909 /nfs/dbraw/zinc/42/69/09/1055426909.db2.gz DKCPAHGQPPOZFO-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM CCOc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000471578798 1055431915 /nfs/dbraw/zinc/43/19/15/1055431915.db2.gz SDGVTVKIWZFVRV-UHFFFAOYSA-N -1 3 307.349 4.196 20 0 DIADHM Cc1nc2cc(NC(=O)c3cc([O-])c4ccccc4c3)ccc2o1 ZINC000471647977 1055458659 /nfs/dbraw/zinc/45/86/59/1055458659.db2.gz JYAUUKKHZKXJHE-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1C1CCCC1 ZINC000471796871 1055537064 /nfs/dbraw/zinc/53/70/64/1055537064.db2.gz FKGVOCLVGSDQFX-SFHVURJKSA-N -1 3 309.409 4.340 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@@H](c3ccccc3)C2)cc1Cl ZINC001237984499 1055573484 /nfs/dbraw/zinc/57/34/84/1055573484.db2.gz QKAPNHKHRKDJHB-CQSZACIVSA-N -1 3 305.780 4.174 20 0 DIADHM C[C@H](Cc1ccccc1F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471857026 1055578920 /nfs/dbraw/zinc/57/89/20/1055578920.db2.gz NECYBDGCAGYJMQ-CYBMUJFWSA-N -1 3 323.367 4.046 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2c(C)noc2C(C)C)s1 ZINC000026566720 1055593581 /nfs/dbraw/zinc/59/35/81/1055593581.db2.gz AAMVZBTYLFCSBI-UHFFFAOYSA-N -1 3 322.434 4.114 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2Cl)c1 ZINC001595396396 1055594182 /nfs/dbraw/zinc/59/41/82/1055594182.db2.gz YSKAGLZNSDHXKG-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM CN(CC/C=C/c1cccnc1)Cc1cc(Cl)c([O-])cc1F ZINC001238149632 1055612070 /nfs/dbraw/zinc/61/20/70/1055612070.db2.gz KAONUHONVOADFE-GORDUTHDSA-N -1 3 320.795 4.115 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 ZINC001595656393 1055618194 /nfs/dbraw/zinc/61/81/94/1055618194.db2.gz YIKXJGPUDPRPJU-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM C[C@@H]1CCCCCN1Cc1c(Br)ccc([O-])c1F ZINC001238305103 1055636948 /nfs/dbraw/zinc/63/69/48/1055636948.db2.gz FNVUDOGWAFXOCO-SNVBAGLBSA-N -1 3 316.214 4.058 20 0 DIADHM C[C@@H]1CCC[C@H](C)N1Cc1c(Br)ccc([O-])c1F ZINC001238307844 1055638580 /nfs/dbraw/zinc/63/85/80/1055638580.db2.gz YNYMQXUDOVJNOQ-AOOOYVTPSA-N -1 3 316.214 4.057 20 0 DIADHM O=C(CCc1ccc(C(F)F)cc1)Nc1cccc([O-])c1F ZINC001596332025 1055698058 /nfs/dbraw/zinc/69/80/58/1055698058.db2.gz LNNHPHWTVCQKMU-UHFFFAOYSA-N -1 3 309.287 4.040 20 0 DIADHM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001565740608 1055724018 /nfs/dbraw/zinc/72/40/18/1055724018.db2.gz GLBWPMPQGHHJPH-XQAQDONZSA-N -1 3 315.800 4.173 20 0 DIADHM CC(C)[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001565746758 1055725576 /nfs/dbraw/zinc/72/55/76/1055725576.db2.gz YFPZXGPAWZFCKC-CQSZACIVSA-N -1 3 303.427 4.258 20 0 DIADHM O=C(Nc1nccc2sccc21)c1cc([O-])c2ccccc2c1 ZINC000472501829 1055725675 /nfs/dbraw/zinc/72/56/75/1055725675.db2.gz PSKMOALWFPXNJI-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM CC[C@@H]1CCCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001565820697 1055731597 /nfs/dbraw/zinc/73/15/97/1055731597.db2.gz PCZXJTJVSYNKSC-CYBMUJFWSA-N -1 3 303.427 4.402 20 0 DIADHM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC001566015558 1055739872 /nfs/dbraw/zinc/73/98/72/1055739872.db2.gz QXUFJKRZXZZYCB-ZDUSSCGKSA-N -1 3 315.413 4.168 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)c2ccc(F)cc2)c1 ZINC001596732388 1055741310 /nfs/dbraw/zinc/74/13/10/1055741310.db2.gz CMDUYRBDPDDQLW-ZDUSSCGKSA-N -1 3 315.388 4.317 20 0 DIADHM CC(C)c1ccc(C(=O)NCC2(Cc3ccccc3)CC2)c([O-])c1 ZINC001596759273 1055743632 /nfs/dbraw/zinc/74/36/32/1055743632.db2.gz WDNVGSCJMVINIR-UHFFFAOYSA-N -1 3 323.436 4.268 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ncc(-c3ccccc3C)s2)c1 ZINC001566177116 1055747437 /nfs/dbraw/zinc/74/74/37/1055747437.db2.gz XRFSLBSSZGNTDE-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c([O-])c1 ZINC001566219397 1055751577 /nfs/dbraw/zinc/75/15/77/1055751577.db2.gz ZUIMHHSJTJLUGG-CZUORRHYSA-N -1 3 303.446 4.460 20 0 DIADHM O=C([N-]c1nocc1C1CC1)c1ccc(Oc2ccccc2)o1 ZINC001596874725 1055755818 /nfs/dbraw/zinc/75/58/18/1055755818.db2.gz VAJVRHAKNLQGQH-UHFFFAOYSA-N -1 3 310.309 4.190 20 0 DIADHM Cc1cccc(C)c1CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC001566293814 1055759103 /nfs/dbraw/zinc/75/91/03/1055759103.db2.gz OIDIDVBBIWXVDF-UHFFFAOYSA-N -1 3 319.404 4.135 20 0 DIADHM CC(C)C[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001566382341 1055767579 /nfs/dbraw/zinc/76/75/79/1055767579.db2.gz RYZCPTXHVSVVCU-OAHLLOKOSA-N -1 3 303.446 4.414 20 0 DIADHM CC[C@H](CSc1ccccc1)NC(=O)c1c(C)cccc1[O-] ZINC001566669165 1055778321 /nfs/dbraw/zinc/77/83/21/1055778321.db2.gz BYQVTGSPXZNTLB-CQSZACIVSA-N -1 3 315.438 4.001 20 0 DIADHM O=C(C/C=C\Cc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001567235386 1055796594 /nfs/dbraw/zinc/79/65/94/1055796594.db2.gz ZADDONLRXTUVKC-PLNGDYQASA-N -1 3 301.773 4.173 20 0 DIADHM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001567682519 1055812207 /nfs/dbraw/zinc/81/22/07/1055812207.db2.gz FKGDWUCAMITGIO-HUUCEWRRSA-N -1 3 321.436 4.185 20 0 DIADHM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC001568685731 1055844309 /nfs/dbraw/zinc/84/43/09/1055844309.db2.gz HUPSCLUFGAIFJH-ZDUSSCGKSA-N -1 3 309.365 4.246 20 0 DIADHM CC(C)c1ncsc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001569162032 1055855484 /nfs/dbraw/zinc/85/54/84/1055855484.db2.gz JKSZGYYSVOOCRA-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C(=O)[O-])cc2F)c1F ZINC001239275605 1055856377 /nfs/dbraw/zinc/85/63/77/1055856377.db2.gz VVDYPNXSWUTUEI-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM O=C([N-]OCCC1CC1)C1(Cc2cccc(F)c2)CCCCC1 ZINC001569612084 1055866979 /nfs/dbraw/zinc/86/69/79/1055866979.db2.gz RZWSJEINOILMKG-UHFFFAOYSA-N -1 3 319.420 4.167 20 0 DIADHM Cc1ccc2[nH]c(C(=O)Nc3c([O-])cccc3Cl)cc2c1C ZINC001569681773 1055868212 /nfs/dbraw/zinc/86/82/12/1055868212.db2.gz BLPUFBUNQBNZAC-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM O=C(CC[C@H]1CCc2ccccc21)Nc1c([O-])cccc1Cl ZINC001569681790 1055868361 /nfs/dbraw/zinc/86/83/61/1055868361.db2.gz BUSOLSLIOCFUBG-CYBMUJFWSA-N -1 3 315.800 4.494 20 0 DIADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001570158442 1055889076 /nfs/dbraw/zinc/88/90/76/1055889076.db2.gz BGLVZWNSLJQYOR-TZIWHRDSSA-N -1 3 323.436 4.147 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC001539833578 1055914239 /nfs/dbraw/zinc/91/42/39/1055914239.db2.gz BDSZIPWMLISMTN-KRWDZBQOSA-N -1 3 315.438 4.241 20 0 DIADHM CSc1ccccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001539895992 1055928286 /nfs/dbraw/zinc/92/82/86/1055928286.db2.gz UGNSABXWCZBQSQ-UHFFFAOYSA-N -1 3 313.422 4.245 20 0 DIADHM Cc1noc(C)c1[N-]C(=O)c1sc(-c2cccs2)nc1C ZINC000068915200 1056017627 /nfs/dbraw/zinc/01/76/27/1056017627.db2.gz YLNCTJFMRXYKIO-UHFFFAOYSA-N -1 3 319.411 4.037 20 0 DIADHM COc1cc([C@@H](C)NC(=O)c2ccccc2[O-])cc2ccccc21 ZINC001603217471 1056020850 /nfs/dbraw/zinc/02/08/50/1056020850.db2.gz STWRUFFIEPRQFY-CYBMUJFWSA-N -1 3 321.376 4.045 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1[O-] ZINC001540464382 1056034543 /nfs/dbraw/zinc/03/45/43/1056034543.db2.gz BRLQVVNNLHTPGN-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM C[C@@H]1CC=CC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001606905786 1056040436 /nfs/dbraw/zinc/04/04/36/1056040436.db2.gz WZZUREMTZXJEPD-RDTXWAMCSA-N -1 3 323.392 4.269 20 0 DIADHM Cc1ccc(C(=O)Nc2nc3cc(C)c(F)cc3s2)c([O-])c1 ZINC001606983877 1056041353 /nfs/dbraw/zinc/04/13/53/1056041353.db2.gz XEPQPZBMVNDQEW-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001607222656 1056044702 /nfs/dbraw/zinc/04/47/02/1056044702.db2.gz UYYISSYXPSISAD-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000110956838 1056055255 /nfs/dbraw/zinc/05/52/55/1056055255.db2.gz PYPJUNQFTRKICX-SNVBAGLBSA-N -1 3 309.818 4.293 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1ccccc1Cl ZINC000111210510 1056055644 /nfs/dbraw/zinc/05/56/44/1056055644.db2.gz ITEUWORGZCJPSF-NEPJUHHUSA-N -1 3 322.191 4.441 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1ccccc1Cl ZINC000111210508 1056056555 /nfs/dbraw/zinc/05/65/55/1056056555.db2.gz ITEUWORGZCJPSF-RYUDHWBXSA-N -1 3 322.191 4.441 20 0 DIADHM CCC(CC)(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC001540786068 1056075130 /nfs/dbraw/zinc/07/51/30/1056075130.db2.gz NLINVMNJROUVPQ-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM O=C(Cc1ccc2ccccc2c1)Nc1ccc(Cl)cc1[O-] ZINC001610899240 1056075640 /nfs/dbraw/zinc/07/56/40/1056075640.db2.gz BBJOKPJXDDWUSZ-UHFFFAOYSA-N -1 3 311.768 4.380 20 0 DIADHM C/C(=C\c1ccccc1Cl)C(=O)Nc1cc(F)ccc1[O-] ZINC001610905250 1056077923 /nfs/dbraw/zinc/07/79/23/1056077923.db2.gz CGKOGQBJHUHUTL-CSKARUKUSA-N -1 3 305.736 4.227 20 0 DIADHM O=C(Nc1ccc2ccccc2n1)c1cc2c(cc1[O-])CCCC2 ZINC001540839108 1056081840 /nfs/dbraw/zinc/08/18/40/1056081840.db2.gz BYCKCKJWJWLOTH-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)c2cc(F)ccc21 ZINC001583450325 1056084756 /nfs/dbraw/zinc/08/47/56/1056084756.db2.gz PIPMFLSCUWIUGU-UHFFFAOYSA-N -1 3 319.763 4.123 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)c([O-])c1 ZINC001540924732 1056086150 /nfs/dbraw/zinc/08/61/50/1056086150.db2.gz GQVRHWWEEWRZDB-KRWDZBQOSA-N -1 3 315.388 4.357 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c([O-])c1 ZINC001583632896 1056123653 /nfs/dbraw/zinc/12/36/53/1056123653.db2.gz VAYGQLTZSBGNSZ-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1[O-] ZINC001611261726 1056131871 /nfs/dbraw/zinc/13/18/71/1056131871.db2.gz HCOFCPKOCSGGIG-SFHVURJKSA-N -1 3 323.436 4.365 20 0 DIADHM CC(C)CNC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001239915757 1056157488 /nfs/dbraw/zinc/15/74/88/1056157488.db2.gz FIDYWXFEIIVCLN-UHFFFAOYSA-N -1 3 324.449 4.035 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2F)C(C)C)c1 ZINC001583763865 1056162483 /nfs/dbraw/zinc/16/24/83/1056162483.db2.gz HZOISBXSGYOMNF-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c([O-])c1 ZINC001542902083 1056163030 /nfs/dbraw/zinc/16/30/30/1056163030.db2.gz SRPKGTXLUORHDY-HNNXBMFYSA-N -1 3 323.436 4.396 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)Cc1cccc2ccccc21 ZINC001543124710 1056179706 /nfs/dbraw/zinc/17/97/06/1056179706.db2.gz SMPRNXADNOWXJS-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2cccc(Cl)c2C1 ZINC000356485701 1056228649 /nfs/dbraw/zinc/22/86/49/1056228649.db2.gz MLPWNSJDMQOGNH-UHFFFAOYSA-N -1 3 323.779 4.355 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCc2cc(C(C)(C)C)ccc2C1 ZINC001584049098 1056245459 /nfs/dbraw/zinc/24/54/59/1056245459.db2.gz AYHPXGREKVBASF-UHFFFAOYSA-N -1 3 323.436 4.197 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc([O-])c2ccccc2c1 ZINC001543530795 1056245469 /nfs/dbraw/zinc/24/54/69/1056245469.db2.gz GLLBGZWWZYYESF-JJRVBVJISA-N -1 3 309.409 4.244 20 0 DIADHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001584119009 1056266778 /nfs/dbraw/zinc/26/67/78/1056266778.db2.gz CHONMPCKNKTPJY-NEPJUHHUSA-N -1 3 303.427 4.163 20 0 DIADHM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001584330303 1056317618 /nfs/dbraw/zinc/31/76/18/1056317618.db2.gz RNBREUXNINYRLK-SNVBAGLBSA-N -1 3 324.207 4.060 20 0 DIADHM Cc1c(NC(=O)c2ccc(C)cc2[O-])sc2c1CCCC2 ZINC001543959667 1056333201 /nfs/dbraw/zinc/33/32/01/1056333201.db2.gz BBSRTMKEIIDXRW-UHFFFAOYSA-N -1 3 301.411 4.202 20 0 DIADHM CC[C@@H]1CCC[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC001544057223 1056352476 /nfs/dbraw/zinc/35/24/76/1056352476.db2.gz KBIHBOORNXDQNK-YPMHNXCESA-N -1 3 303.427 4.306 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c([O-])c1C ZINC001544196753 1056380024 /nfs/dbraw/zinc/38/00/24/1056380024.db2.gz BUCSDHYDUNWPLF-UHFFFAOYSA-N -1 3 321.323 4.171 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCCCc2ccccc21 ZINC001544296706 1056403295 /nfs/dbraw/zinc/40/32/95/1056403295.db2.gz ARMNYZUKXMXYDJ-UHFFFAOYSA-N -1 3 315.800 4.419 20 0 DIADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCCc2ccccc21 ZINC001584797916 1056420633 /nfs/dbraw/zinc/42/06/33/1056420633.db2.gz QOKKEVLTZDKMGV-UHFFFAOYSA-N -1 3 321.420 4.254 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)c([O-])c1 ZINC001544633884 1056470449 /nfs/dbraw/zinc/47/04/49/1056470449.db2.gz QDXCDCSZMFBHKW-LRDDRELGSA-N -1 3 313.397 4.162 20 0 DIADHM CCN(C(=O)c1cc([O-])c2ccccc2c1)[C@H](C)c1cccnc1 ZINC000354434375 1056474263 /nfs/dbraw/zinc/47/42/63/1056474263.db2.gz OMFDAPAGPSFLBA-CQSZACIVSA-N -1 3 320.392 4.164 20 0 DIADHM Cc1ccc(-c2ccc(C(F)(F)F)cc2F)cc1-c1nnn[n-]1 ZINC001240398943 1056480854 /nfs/dbraw/zinc/48/08/54/1056480854.db2.gz YXYXRHNODVVODN-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2ccc(C(F)(F)F)cc2F)cc1-c1nn[n-]n1 ZINC001240398943 1056480859 /nfs/dbraw/zinc/48/08/59/1056480859.db2.gz YXYXRHNODVVODN-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000111210285 1056567458 /nfs/dbraw/zinc/56/74/58/1056567458.db2.gz QAIIKZYCHKCGES-UHFFFAOYSA-N -1 3 321.163 4.433 20 0 DIADHM Cc1ccc2oc(C(=O)Nc3cc(Cl)ccc3[O-])cc2c1 ZINC000111211130 1056571055 /nfs/dbraw/zinc/57/10/55/1056571055.db2.gz GKKGBNLXHSEESR-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC001585621325 1056595023 /nfs/dbraw/zinc/59/50/23/1056595023.db2.gz VEFOKHOUJSXJHF-MRXNPFEDSA-N -1 3 301.430 4.133 20 0 DIADHM Cc1nc2ccc(F)cn2c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486374 1056599399 /nfs/dbraw/zinc/59/93/99/1056599399.db2.gz DDJVVSZZDUDHNU-UHFFFAOYSA-N -1 3 309.703 4.024 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)nc(-c2ccc([O-])c(F)c2)c1 ZINC001240781610 1056696155 /nfs/dbraw/zinc/69/61/55/1056696155.db2.gz BSNUXYRNKOESSW-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM O=C(Nc1ccccc1)c1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240786353 1056697597 /nfs/dbraw/zinc/69/75/97/1056697597.db2.gz IASNIPQCHHLECC-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM CC(C)COC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)cc1 ZINC001240785759 1056697883 /nfs/dbraw/zinc/69/78/83/1056697883.db2.gz MXGMNFPKGYZKDL-UHFFFAOYSA-N -1 3 303.333 4.403 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC001586266284 1056701065 /nfs/dbraw/zinc/70/10/65/1056701065.db2.gz SAKFZRJCIODCFU-OAHLLOKOSA-N -1 3 303.446 4.414 20 0 DIADHM O=C(N[C@H]1CC=CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001586471182 1056742897 /nfs/dbraw/zinc/74/28/97/1056742897.db2.gz JAKYENXSBGDEFY-AWEZNQCLSA-N -1 3 309.365 4.023 20 0 DIADHM COc1ccc([C@@H](C)OC(=O)c2cccc(Cl)c2[O-])cc1C ZINC001617018058 1056760416 /nfs/dbraw/zinc/76/04/16/1056760416.db2.gz IAIZNDQQPSVUPJ-LLVKDONJSA-N -1 3 320.772 4.281 20 0 DIADHM [O-]c1c(F)cc(F)cc1Nc1cc(C(F)(F)F)cc(Cl)n1 ZINC001212477589 1056775941 /nfs/dbraw/zinc/77/59/41/1056775941.db2.gz JDTVVLVTHAHUCL-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM Cc1ccc2c(c1)N(C(=O)c1cc3c(cc1[O-])CCCC3)CCC2 ZINC001617144138 1056783420 /nfs/dbraw/zinc/78/34/20/1056783420.db2.gz 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COC(=O)c1cccc(C(F)(F)F)c1-c1cc([O-])cc(F)c1 ZINC001241271728 1056990416 /nfs/dbraw/zinc/99/04/16/1056990416.db2.gz JUXVUOUQRRCYOY-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc(O[C@H]3CCCCO3)cc2F)c1 ZINC001241281576 1056994517 /nfs/dbraw/zinc/99/45/17/1056994517.db2.gz DWRCGBUSKFKYLO-KRWDZBQOSA-N -1 3 306.308 4.243 20 0 DIADHM [O-]c1cc(F)cc(-c2ccnc(OCc3ccc(F)cc3)c2)c1 ZINC001241280923 1056994919 /nfs/dbraw/zinc/99/49/19/1056994919.db2.gz ZCEMGCLFWDQVPZ-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(C)OC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001241286550 1056996911 /nfs/dbraw/zinc/99/69/11/1056996911.db2.gz QGMNMVCHSAQKEL-UHFFFAOYSA-N -1 3 311.406 4.214 20 0 DIADHM [O-]c1ccc(F)c(-c2ccc3nnc(-c4ccccc4)n3c2)c1F ZINC001241294332 1057001001 /nfs/dbraw/zinc/00/10/01/1057001001.db2.gz QPLJTMDMORJWDZ-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM COc1cc(C(F)(F)F)ccc1-c1c(F)ccc([O-])c1F ZINC001241293122 1057001105 /nfs/dbraw/zinc/00/11/05/1057001105.db2.gz 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[O-]c1ccc(-c2ccc(N3CCCC3)nc2)cc1C(F)(F)F ZINC001242158105 1057283658 /nfs/dbraw/zinc/28/36/58/1057283658.db2.gz QNPIJVZTLZRLQE-UHFFFAOYSA-N -1 3 308.303 4.073 20 0 DIADHM CN1Cc2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c2NC1=O ZINC001242168813 1057285890 /nfs/dbraw/zinc/28/58/90/1057285890.db2.gz UQTQQBUQMBDSFX-UHFFFAOYSA-N -1 3 322.286 4.055 20 0 DIADHM CCOC(=O)Cc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001212521732 1057287147 /nfs/dbraw/zinc/28/71/47/1057287147.db2.gz WJRVEFGKAMQWBL-UHFFFAOYSA-N -1 3 319.788 4.203 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3ccc(F)cc3[O-])cc2)CCC1 ZINC001242219424 1057297374 /nfs/dbraw/zinc/29/73/74/1057297374.db2.gz SNFQEYNGHXMPMS-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc(OCc2cccc(F)c2)nc1 ZINC001242219313 1057297394 /nfs/dbraw/zinc/29/73/94/1057297394.db2.gz CKKRSJZOOHQYMB-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1ccc(F)cc1[O-] ZINC001242218646 1057298078 /nfs/dbraw/zinc/29/80/78/1057298078.db2.gz JENHUGZMGJUNLC-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM Cc1c(F)cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1F ZINC001242286184 1057320906 /nfs/dbraw/zinc/32/09/06/1057320906.db2.gz HXLUEGNRRKJWSV-UHFFFAOYSA-N -1 3 306.259 4.038 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2cccc(F)c2[O-])c1 ZINC001242352829 1057342231 /nfs/dbraw/zinc/34/22/31/1057342231.db2.gz QVLGMJKILIIDPY-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM CC(=O)c1ccc(Nc2cccc([O-])c2F)c(C(F)(F)F)c1 ZINC001212553176 1057365303 /nfs/dbraw/zinc/36/53/03/1057365303.db2.gz FWESCGUFMGXYKI-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM CC(=O)c1cccc(Br)c1Nc1cccc([O-])c1F ZINC001212553474 1057365834 /nfs/dbraw/zinc/36/58/34/1057365834.db2.gz UXBOBFKHXUJXIL-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM COc1nc(-c2cc([O-])cc(C(F)(F)F)c2)nc2ccccc21 ZINC001242779884 1057472230 /nfs/dbraw/zinc/47/22/30/1057472230.db2.gz AQNKTRWHIIOCIV-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM Nc1ccnc2cc(-c3cc(Cl)c([O-])c(Cl)c3)ccc12 ZINC001242852832 1057499248 /nfs/dbraw/zinc/49/92/48/1057499248.db2.gz 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/nfs/dbraw/zinc/55/89/12/1057558912.db2.gz XTYVAPKQTDUXQT-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cc(-c2cnc3cc(C(F)(F)F)ccc3n2)ccc1F ZINC001243053318 1057559514 /nfs/dbraw/zinc/55/95/14/1057559514.db2.gz AWICHRYTZVKVEV-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243060950 1057561504 /nfs/dbraw/zinc/56/15/04/1057561504.db2.gz BDLPCGNEQUIAFD-HNNXBMFYSA-N -1 3 302.345 4.255 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)cc1-c1ccc(F)c([O-])c1 ZINC001243063803 1057562649 /nfs/dbraw/zinc/56/26/49/1057562649.db2.gz WGTZVJRABCEAEF-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2ccc(F)c([O-])c2)c1 ZINC001243063938 1057562765 /nfs/dbraw/zinc/56/27/65/1057562765.db2.gz XXXDTAGJJSQCSJ-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM Cc1ccc(-c2ccc(CN3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC001243197831 1057600970 /nfs/dbraw/zinc/60/09/70/1057600970.db2.gz XSEKGHIVENAEJH-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C(=O)[O-])cc2C)c1F ZINC001243212610 1057606754 /nfs/dbraw/zinc/60/67/54/1057606754.db2.gz KBHMOKAXFIZRHD-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527159638 1057660797 /nfs/dbraw/zinc/66/07/97/1057660797.db2.gz NDEKDODNVMKLSN-PXAZEXFGSA-N -1 3 321.376 4.192 20 0 DIADHM CC(C)c1csc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000527467531 1057663747 /nfs/dbraw/zinc/66/37/47/1057663747.db2.gz PVORBWIBOAYQEW-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM CC(C)c1cnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000527466392 1057663755 /nfs/dbraw/zinc/66/37/55/1057663755.db2.gz DOXBMLAVFHEKKN-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000527456180 1057663770 /nfs/dbraw/zinc/66/37/70/1057663770.db2.gz DINVDOYEAFJSMZ-CQSZACIVSA-N -1 3 305.377 4.379 20 0 DIADHM [O-]c1c(F)cc(F)cc1-c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC001243503259 1057697014 /nfs/dbraw/zinc/69/70/14/1057697014.db2.gz TYGGEVYGXXSDPS-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM [O-]c1c(F)cc(F)cc1-c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC001243503259 1057697016 /nfs/dbraw/zinc/69/70/16/1057697016.db2.gz TYGGEVYGXXSDPS-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM [O-]c1cccc(-c2nc3ccccc3nc2C(F)(F)F)c1F ZINC001243541677 1057708629 /nfs/dbraw/zinc/70/86/29/1057708629.db2.gz HFOZTDAARCQVRU-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CCOC(=O)Cc1coc2ccc(-c3cccc([O-])c3F)cc12 ZINC001243545009 1057709056 /nfs/dbraw/zinc/70/90/56/1057709056.db2.gz MXMJHHFCJPXXMM-UHFFFAOYSA-N -1 3 314.312 4.050 20 0 DIADHM [O-]c1cccc(-c2ccc(O[C@@H]3CCCCO3)cc2F)c1F ZINC001243546241 1057709224 /nfs/dbraw/zinc/70/92/24/1057709224.db2.gz KRVMSOVDDKYRJF-MRXNPFEDSA-N -1 3 306.308 4.243 20 0 DIADHM [O-]c1cccc(-c2ccc(-c3nc4cc[nH]cc-4n3)cc2)c1F ZINC001243546389 1057709292 /nfs/dbraw/zinc/70/92/92/1057709292.db2.gz GQZDXNZZRNJASP-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM Cc1nc2sc3c(c2c(-c2cccc([O-])c2F)n1)CCCC3 ZINC001243544097 1057709436 /nfs/dbraw/zinc/70/94/36/1057709436.db2.gz LHCDCGBYFOOVMH-UHFFFAOYSA-N -1 3 314.385 4.390 20 0 DIADHM [O-]c1cccc(-c2nc(-c3ccncc3)nc3sccc32)c1F ZINC001243546486 1057709492 /nfs/dbraw/zinc/70/94/92/1057709492.db2.gz OAQVWACFDNHPDK-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM [O-]c1cccc(-c2ccnc(OCc3cccc(F)c3)c2)c1F ZINC001243545815 1057709514 /nfs/dbraw/zinc/70/95/14/1057709514.db2.gz PTQWVWRBLRLRIV-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COC(=O)c1ccc(-c2cccc([O-])c2F)cc1C(F)(F)F ZINC001243545074 1057709817 /nfs/dbraw/zinc/70/98/17/1057709817.db2.gz PQNAWQMHPZMOBQ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cccc(-c2ccnc(OCc3ccccc3F)c2)c1F ZINC001243545450 1057709877 /nfs/dbraw/zinc/70/98/77/1057709877.db2.gz ALEYPZKCWALCFL-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1cccc([O-])c1F ZINC001243547672 1057710173 /nfs/dbraw/zinc/71/01/73/1057710173.db2.gz ULMJVSGCIABNFC-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM COc1c(Cl)ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001243580147 1057723471 /nfs/dbraw/zinc/72/34/71/1057723471.db2.gz RMOVWIVHKBUDTJ-UHFFFAOYSA-N -1 3 307.777 4.450 20 0 DIADHM COC(=O)c1ccc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243606109 1057730505 /nfs/dbraw/zinc/73/05/05/1057730505.db2.gz KOXFEHUDCQXJNV-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2[O-])c1F ZINC001243607592 1057730753 /nfs/dbraw/zinc/73/07/53/1057730753.db2.gz AMXKWISWTZPNHJ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COc1cc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c(F)c1 ZINC001243609737 1057732298 /nfs/dbraw/zinc/73/22/98/1057732298.db2.gz TWMQEPVELZGTAF-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CC(C)c1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1N ZINC001244322634 1057933610 /nfs/dbraw/zinc/93/36/10/1057933610.db2.gz XOGSVLHLFSVXJI-UHFFFAOYSA-N -1 3 313.348 4.157 20 0 DIADHM Cc1cccc2c1ncnc2-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244454908 1057962684 /nfs/dbraw/zinc/96/26/84/1057962684.db2.gz CFKUXTKKDYPXQX-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM CC(C)Oc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244456373 1057963156 /nfs/dbraw/zinc/96/31/56/1057963156.db2.gz FSQIRXSHXIXTCD-UHFFFAOYSA-N -1 3 313.275 4.140 20 0 DIADHM Cc1cc(-c2cc(OC(F)(F)F)ccc2[O-])nc2[nH]ccc21 ZINC001244458081 1057963498 /nfs/dbraw/zinc/96/34/98/1057963498.db2.gz ZRCZTLPDOOIQAW-UHFFFAOYSA-N -1 3 308.259 4.143 20 0 DIADHM Cc1cc2ncccc2nc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244458349 1057963985 /nfs/dbraw/zinc/96/39/85/1057963985.db2.gz IFRWQYUPGILGEX-UHFFFAOYSA-N -1 3 320.270 4.209 20 0 DIADHM CSc1cnc(-c2cc(OC(F)(F)F)ccc2[O-])c(C)c1 ZINC001244458830 1057963999 /nfs/dbraw/zinc/96/39/99/1057963999.db2.gz WMKOQKHALNQYQS-UHFFFAOYSA-N -1 3 315.316 4.383 20 0 DIADHM [O-]c1cc(OC(F)(F)F)ccc1-c1c(F)ccc(F)c1F ZINC001244462244 1057965341 /nfs/dbraw/zinc/96/53/41/1057965341.db2.gz DHKDGQHXWHYGDH-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469407 1057967984 /nfs/dbraw/zinc/96/79/84/1057967984.db2.gz GSMUJVQVUBAOKX-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM CCOC(=O)c1cc(F)c(F)cc1-c1ccc(Cl)cc1[O-] ZINC001244471242 1057969033 /nfs/dbraw/zinc/96/90/33/1057969033.db2.gz BEHZGIAHSGLFIA-UHFFFAOYSA-N -1 3 312.699 4.168 20 0 DIADHM CCOC(=O)c1c[nH]c2c1cccc2-c1ccc(Cl)cc1[O-] ZINC001244472573 1057969286 /nfs/dbraw/zinc/96/92/86/1057969286.db2.gz MDNSXSASJDAVGB-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM Cc1cc(-c2ccc(-c3c[nH]c4ccccc34)nn2)cc([O-])c1F ZINC001244495634 1057975473 /nfs/dbraw/zinc/97/54/73/1057975473.db2.gz GFNALLOVGDXSBT-UHFFFAOYSA-N -1 3 319.339 4.445 20 0 DIADHM COCc1cc(-c2cc(C)c(F)c([O-])c2)nc(-c2ccccc2)n1 ZINC001244496838 1057975655 /nfs/dbraw/zinc/97/56/55/1057975655.db2.gz WHQDSJCXDQSSHJ-UHFFFAOYSA-N -1 3 324.355 4.110 20 0 DIADHM Cc1cc(-c2nc(C(C)(C)C)nc(C(C)(C)C)n2)cc([O-])c1F ZINC001244506423 1057979591 /nfs/dbraw/zinc/97/95/91/1057979591.db2.gz PJIRZVVIGKOQIM-UHFFFAOYSA-N -1 3 317.408 4.287 20 0 DIADHM Cc1cc(-c2cnc3ccc(C(F)(F)F)cc3n2)cc([O-])c1F ZINC001244507708 1057980121 /nfs/dbraw/zinc/98/01/21/1057980121.db2.gz WVMRDLQQEXFXHE-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1cc(-c2ncnc3c2cccc3C(F)(F)F)cc([O-])c1F ZINC001244508997 1057980896 /nfs/dbraw/zinc/98/08/96/1057980896.db2.gz WCZOQPCZDRQQEG-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM CCOC(=O)CCc1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244515208 1057982963 /nfs/dbraw/zinc/98/29/63/1057982963.db2.gz DWSMSMLFXIDNEV-UHFFFAOYSA-N -1 3 302.345 4.002 20 0 DIADHM Cc1cc(-c2ccc(-c3nc4cc[nH]cc-4n3)cc2)cc([O-])c1F ZINC001244515265 1057983233 /nfs/dbraw/zinc/98/32/33/1057983233.db2.gz HWCPKOLXODRDME-UHFFFAOYSA-N -1 3 319.339 4.445 20 0 DIADHM Cc1cc(-c2ccc(OCc3ccccc3)nc2)cc([O-])c1F ZINC001244515793 1057983322 /nfs/dbraw/zinc/98/33/22/1057983322.db2.gz NUZVACSALZXLAY-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM Cc1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc([O-])c1F ZINC001244516259 1057983480 /nfs/dbraw/zinc/98/34/80/1057983480.db2.gz QLRZSFXWYGXPGE-UHFFFAOYSA-N -1 3 310.250 4.173 20 0 DIADHM Cc1cc(-c2ccnc(OCc3ccccc3)c2)cc([O-])c1F ZINC001244518383 1057983932 /nfs/dbraw/zinc/98/39/32/1057983932.db2.gz UTHKESNVEFNFAD-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM CC[C@H](C(=O)OC)c1ccc(-c2cc(C)c(F)c([O-])c2)cc1 ZINC001244520082 1057984581 /nfs/dbraw/zinc/98/45/81/1057984581.db2.gz JEAXCQKFLAEJCP-HNNXBMFYSA-N -1 3 302.345 4.173 20 0 DIADHM Cc1cc(-c2cnc(OCC(F)(F)F)c(C)c2)cc([O-])c1F ZINC001244525329 1057985598 /nfs/dbraw/zinc/98/55/98/1057985598.db2.gz KUVACUQHFQNRFL-UHFFFAOYSA-N -1 3 315.266 4.151 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244526022 1057986046 /nfs/dbraw/zinc/98/60/46/1057986046.db2.gz XYOTVYHPMXTRLF-UHFFFAOYSA-N -1 3 316.250 4.414 20 0 DIADHM Cc1cc(-c2ccc(C3N=NC(=S)O3)cc2)cc(Cl)c1[O-] ZINC001244548002 1057992771 /nfs/dbraw/zinc/99/27/71/1057992771.db2.gz RGJXVIMZIMPENX-UHFFFAOYSA-N -1 3 318.785 4.360 20 0 DIADHM COC(=O)/C=C\c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244553858 1057994411 /nfs/dbraw/zinc/99/44/11/1057994411.db2.gz KFRSHFVDQLUSII-YVMONPNESA-N -1 3 302.757 4.207 20 0 DIADHM Cc1cc(-c2ccc3c(c2)C2(CC3)OCCO2)cc(Cl)c1[O-] ZINC001244552912 1057994440 /nfs/dbraw/zinc/99/44/40/1057994440.db2.gz DCVYVUKAYNMVTK-UHFFFAOYSA-N -1 3 316.784 4.167 20 0 DIADHM Cc1cc(-c2cccc3c2C(=O)NC(C)(C)C3)cc(Cl)c1[O-] ZINC001244555939 1057995086 /nfs/dbraw/zinc/99/50/86/1057995086.db2.gz RXNQVITUORFMEQ-UHFFFAOYSA-N -1 3 315.800 4.086 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1cccnc1OCC(F)(F)F ZINC001245054525 1058103767 /nfs/dbraw/zinc/10/37/67/1058103767.db2.gz HISSDOLVHTVZLQ-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM CSc1nc2ccccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245077955 1058107779 /nfs/dbraw/zinc/10/77/79/1058107779.db2.gz KEWPNVKXWJFQRK-UHFFFAOYSA-N -1 3 302.786 4.378 20 0 DIADHM CCc1cc(-c2ccc([O-])cc2Cl)nc(-c2ccccn2)n1 ZINC001245077693 1058107870 /nfs/dbraw/zinc/10/78/70/1058107870.db2.gz AVWXEAQLSPNOCV-UHFFFAOYSA-N -1 3 311.772 4.127 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3cccc(F)c3)nn2)c(Cl)c1 ZINC001245078488 1058107973 /nfs/dbraw/zinc/10/79/73/1058107973.db2.gz KTIBXLYXXLGDBQ-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3ccc(F)cc3)nn2)c(Cl)c1 ZINC001245080259 1058108291 /nfs/dbraw/zinc/10/82/91/1058108291.db2.gz XAAOHYXGCWQAQF-UHFFFAOYSA-N -1 3 300.720 4.309 20 0 DIADHM CSc1nc2ccsc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245081206 1058108479 /nfs/dbraw/zinc/10/84/79/1058108479.db2.gz CBKJJZVTTNHDSN-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM Cc1ccc(-c2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC001245100182 1058113331 /nfs/dbraw/zinc/11/33/31/1058113331.db2.gz MZMKPUSGNSUPGV-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1ccc(-c2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC001245100182 1058113332 /nfs/dbraw/zinc/11/33/32/1058113332.db2.gz MZMKPUSGNSUPGV-UHFFFAOYSA-N -1 3 305.168 4.149 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C(C)C)nc1Cl ZINC001245103833 1058114732 /nfs/dbraw/zinc/11/47/32/1058114732.db2.gz OUCHNONGQHDNTH-UHFFFAOYSA-N -1 3 313.792 4.014 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C(C)C)nc1Cl ZINC001245103833 1058114734 /nfs/dbraw/zinc/11/47/34/1058114734.db2.gz OUCHNONGQHDNTH-UHFFFAOYSA-N -1 3 313.792 4.014 20 0 DIADHM COc1cc2ccccc2cc1-c1ccc(-c2nnn[n-]2)cc1C ZINC001245417877 1058163925 /nfs/dbraw/zinc/16/39/25/1058163925.db2.gz DRUYUTXDFZSWHM-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1cc2ccccc2cc1-c1ccc(-c2nn[n-]n2)cc1C ZINC001245417877 1058163928 /nfs/dbraw/zinc/16/39/28/1058163928.db2.gz DRUYUTXDFZSWHM-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1ccc(-c2cccs2)s1 ZINC001527567248 1058178949 /nfs/dbraw/zinc/17/89/49/1058178949.db2.gz VEOQLUZWSYOGJL-UHFFFAOYSA-N -1 3 322.361 4.402 20 0 DIADHM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001545245040 1058190276 /nfs/dbraw/zinc/19/02/76/1058190276.db2.gz IOSYVCPJAPCTKU-GJZGRUSLSA-N -1 3 321.486 4.310 20 0 DIADHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001545245862 1058191958 /nfs/dbraw/zinc/19/19/58/1058191958.db2.gz YYPNWBHQWQYRJX-CZUORRHYSA-N -1 3 321.436 4.185 20 0 DIADHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc2c(o1)CCCC2 ZINC001527986376 1058290164 /nfs/dbraw/zinc/29/01/64/1058290164.db2.gz QYIBADMMLGDBFZ-UHFFFAOYSA-N -1 3 322.364 4.374 20 0 DIADHM COC(=O)c1cc2ccc(-c3c([O-])cccc3F)cc2s1 ZINC001245652483 1058310017 /nfs/dbraw/zinc/31/00/17/1058310017.db2.gz CSKGUCOTXOQWJP-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COc1c(F)cc(-c2c([O-])cccc2F)cc1C(F)(F)F ZINC001245654819 1058313216 /nfs/dbraw/zinc/31/32/16/1058313216.db2.gz LXDUGDBFNKQYIK-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM [O-]c1cccc(F)c1-c1cnc2[nH]c(-c3ccccc3)nc2c1 ZINC001245654064 1058313537 /nfs/dbraw/zinc/31/35/37/1058313537.db2.gz DNILDPIDGGPDGQ-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cccc(F)c1-c1cc(F)c(OCC(F)(F)F)c(F)c1 ZINC001245654348 1058314018 /nfs/dbraw/zinc/31/40/18/1058314018.db2.gz CVTTZBOXMAJUBB-UHFFFAOYSA-N -1 3 322.204 4.418 20 0 DIADHM FC(F)(F)c1ccc(Cl)cc1-c1ccccc1-c1nnn[n-]1 ZINC001245696671 1058362844 /nfs/dbraw/zinc/36/28/44/1058362844.db2.gz XIMGPDZFLRHMES-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(Cl)cc1-c1ccccc1-c1nn[n-]n1 ZINC001245696671 1058362863 /nfs/dbraw/zinc/36/28/63/1058362863.db2.gz XIMGPDZFLRHMES-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CCC[C@H](C)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001566696523 1058500940 /nfs/dbraw/zinc/50/09/40/1058500940.db2.gz XAOWMTDGOZKAOK-NSHDSACASA-N -1 3 303.324 4.080 20 0 DIADHM CCCCCC[C@H](O)CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082003 1058542828 /nfs/dbraw/zinc/54/28/28/1058542828.db2.gz VRPXSEDLOCYBSZ-ZDUSSCGKSA-N -1 3 313.825 4.096 20 0 DIADHM O=C(CC1CCC(c2ccccc2)CC1)Nc1ncccc1[O-] ZINC001556164226 1058553773 /nfs/dbraw/zinc/55/37/73/1058553773.db2.gz XJEHPYUJKKPRCR-UHFFFAOYSA-N -1 3 310.397 4.090 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCC(CC)(CC)CC2)c1 ZINC001556209630 1058559412 /nfs/dbraw/zinc/55/94/12/1058559412.db2.gz AFKXAKUCWBVJPD-UHFFFAOYSA-N -1 3 303.446 4.387 20 0 DIADHM Cc1ccc(C(C)C)c(OCCC(=O)[N-]OC2CCCCC2)c1 ZINC001556300240 1058576923 /nfs/dbraw/zinc/57/69/23/1058576923.db2.gz MCTZPFNJRWLUKS-UHFFFAOYSA-N -1 3 319.445 4.268 20 0 DIADHM C[C@@H]1CCC[C@H](CNC(=O)c2cc3sccc3c([O-])c2)[C@@H]1C ZINC001556418301 1058592684 /nfs/dbraw/zinc/59/26/84/1058592684.db2.gz RXPFFIYBVSAEAF-JHJVBQTASA-N -1 3 317.454 4.409 20 0 DIADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)c1[O-] ZINC001556529612 1058608470 /nfs/dbraw/zinc/60/84/70/1058608470.db2.gz OUEIIDIIPJCMKB-KBXCAEBGSA-N -1 3 309.409 4.178 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001556655132 1058623264 /nfs/dbraw/zinc/62/32/64/1058623264.db2.gz XGCJVLYOUZJPNY-GFCCVEGCSA-N -1 3 305.727 4.092 20 0 DIADHM CC1(C)CCC[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001556739291 1058635547 /nfs/dbraw/zinc/63/55/47/1058635547.db2.gz KDMODOKNXWRBOS-GFCCVEGCSA-N -1 3 303.427 4.163 20 0 DIADHM COc1cccc2cc(C(=O)Nc3c([O-])cccc3Cl)oc21 ZINC001556783878 1058642364 /nfs/dbraw/zinc/64/23/64/1058642364.db2.gz CQNQTHRUGXBEJO-UHFFFAOYSA-N -1 3 317.728 4.053 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001556804084 1058645523 /nfs/dbraw/zinc/64/55/23/1058645523.db2.gz UBEBMKPPNWZQQB-GJZGRUSLSA-N -1 3 307.434 4.063 20 0 DIADHM CC(=O)c1cccc(NC(=O)CC(C2CCC2)C2CCC2)c1[O-] ZINC001556853410 1058656838 /nfs/dbraw/zinc/65/68/38/1058656838.db2.gz HHXPEHMEMUWFLK-UHFFFAOYSA-N -1 3 315.413 4.140 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c3ccccc32)c([O-])c1 ZINC001556866086 1058661334 /nfs/dbraw/zinc/66/13/34/1058661334.db2.gz VJDCRUYSPLBAED-ZDUSSCGKSA-N -1 3 323.367 4.484 20 0 DIADHM Cc1cccc([O-])c1C(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC001556923182 1058669093 /nfs/dbraw/zinc/66/90/93/1058669093.db2.gz KCGOMMSLHPVMAO-UHFFFAOYSA-N -1 3 324.405 4.101 20 0 DIADHM CSc1cc(C)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)o1 ZINC001520917870 1058716050 /nfs/dbraw/zinc/71/60/50/1058716050.db2.gz ZKGGCIPQVPQITL-UHFFFAOYSA-N -1 3 317.744 4.494 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2C(C)C)c1 ZINC001557555257 1058768229 /nfs/dbraw/zinc/76/82/29/1058768229.db2.gz VBWFMHAZUKCVIN-UHFFFAOYSA-N -1 3 319.788 4.430 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cn2)c([O-])c1 ZINC001557582786 1058773190 /nfs/dbraw/zinc/77/31/90/1058773190.db2.gz KHTJECIUZPJHBZ-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM O=C(NCc1ccc(-c2ccccc2)s1)c1ccccc1[O-] ZINC001557636417 1058779568 /nfs/dbraw/zinc/77/95/68/1058779568.db2.gz MDRWJWYVJXFUKD-UHFFFAOYSA-N -1 3 309.390 4.051 20 0 DIADHM C[C@H](CC1CCC1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001557765022 1058790366 /nfs/dbraw/zinc/79/03/66/1058790366.db2.gz FSMURPPBOOWUSG-OAHLLOKOSA-N -1 3 323.436 4.292 20 0 DIADHM C[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@]12C[C@H]1CCCC2 ZINC001557927997 1058813472 /nfs/dbraw/zinc/81/34/72/1058813472.db2.gz WZRIZNWIOXKSBV-SRBZOADZSA-N -1 3 315.438 4.306 20 0 DIADHM CCC(F)(F)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001558012943 1058826480 /nfs/dbraw/zinc/82/64/80/1058826480.db2.gz LWOIBQYRAANQQE-UHFFFAOYSA-N -1 3 323.314 4.214 20 0 DIADHM CCc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1O ZINC001558634520 1058892098 /nfs/dbraw/zinc/89/20/98/1058892098.db2.gz JEKLAWKYYLCOHM-UHFFFAOYSA-N -1 3 313.378 4.127 20 0 DIADHM CCCCOc1ccc(C(=O)N2CCC[C@@](C)(CC)C2)c([O-])c1 ZINC001558940580 1058923465 /nfs/dbraw/zinc/92/34/65/1058923465.db2.gz AOWAASVSZBHXFR-LJQANCHMSA-N -1 3 319.445 4.223 20 0 DIADHM O=C([N-]c1c(F)cccc1Cl)c1cc(-c2ccccc2)on1 ZINC001521731783 1058961581 /nfs/dbraw/zinc/96/15/81/1058961581.db2.gz ITMUFPKIYZKAOG-UHFFFAOYSA-N -1 3 316.719 4.386 20 0 DIADHM C/C(=C\Cl)CSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001559402662 1059211149 /nfs/dbraw/zinc/21/11/49/1059211149.db2.gz ACNSYIYNEWJHSX-DHZHZOJOSA-N -1 3 306.818 4.225 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cnc(F)cc1C ZINC001524138277 1059445275 /nfs/dbraw/zinc/44/52/75/1059445275.db2.gz IUJFXEHYSDNRHV-UHFFFAOYSA-N -1 3 308.353 4.033 20 0 DIADHM CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccc(F)c1 ZINC001559641589 1059465626 /nfs/dbraw/zinc/46/56/26/1059465626.db2.gz JCSIILNHFBMFHJ-UHFFFAOYSA-N -1 3 323.371 4.015 20 0 DIADHM Cc1cc(Cl)cc(-c2noc(Cc3ccc([O-])c(F)c3)n2)c1 ZINC001247564417 1059547204 /nfs/dbraw/zinc/54/72/04/1059547204.db2.gz IFIQKMJDSQMAAK-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM CC(C)c1ccc(-c2noc(Cc3ccc([O-])cc3F)n2)cc1 ZINC001248142516 1059739862 /nfs/dbraw/zinc/73/98/62/1059739862.db2.gz QIJRQCODGWPUJL-UHFFFAOYSA-N -1 3 312.344 4.296 20 0 DIADHM CCc1cccc(CC)c1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001248673453 1059932125 /nfs/dbraw/zinc/93/21/25/1059932125.db2.gz HCDXNXLLTJWMCB-UHFFFAOYSA-N -1 3 318.417 4.465 20 0 DIADHM O=C(O[C@H]1CCc2ccc(F)cc21)c1cccc(Cl)c1[O-] ZINC001533624924 1059944295 /nfs/dbraw/zinc/94/42/95/1059944295.db2.gz ORVZGUJJKPPKEP-AWEZNQCLSA-N -1 3 306.720 4.029 20 0 DIADHM CCc1cccc(C)c1NC(=S)Nc1ncc([O-])cc1Cl ZINC001248736177 1059957882 /nfs/dbraw/zinc/95/78/82/1059957882.db2.gz ZUXIGIFSPZZYTA-UHFFFAOYSA-N -1 3 321.833 4.120 20 0 DIADHM CCc1nocc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC001533684804 1059977666 /nfs/dbraw/zinc/97/76/66/1059977666.db2.gz YOVBXZHEABPIKE-UHFFFAOYSA-N -1 3 316.304 4.101 20 0 DIADHM CCCOc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001526763288 1060328867 /nfs/dbraw/zinc/32/88/67/1060328867.db2.gz FNYVELRGDBAZSI-UHFFFAOYSA-N -1 3 320.772 4.191 20 0 DIADHM Nc1cc(F)cc(Nc2nc3c(cccc3[O-])s2)c1Cl ZINC001249644545 1060331392 /nfs/dbraw/zinc/33/13/92/1060331392.db2.gz GZVUTRHVUXDFJE-UHFFFAOYSA-N -1 3 309.753 4.120 20 0 DIADHM [O-]c1cc(Nc2cccc(Br)c2F)c(F)cc1F ZINC001249687520 1060347280 /nfs/dbraw/zinc/34/72/80/1060347280.db2.gz IGZUIEIESVIRFP-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM CC(C)Oc1cc(F)c(Nc2cc([O-])c(F)cc2F)c(F)c1 ZINC001249776551 1060396016 /nfs/dbraw/zinc/39/60/16/1060396016.db2.gz VKXQBBUENRUXKY-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM Cc1cc(F)c(Nc2cccc([O-])c2Br)cc1F ZINC001249801226 1060407695 /nfs/dbraw/zinc/40/76/95/1060407695.db2.gz GYHLFMRLZQQRCP-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1ccc(F)c(CN(CCc2cccc(F)c2)C2CC2)c1F ZINC001560639849 1060457222 /nfs/dbraw/zinc/45/72/22/1060457222.db2.gz DRKTXAVLSQSKPP-UHFFFAOYSA-N -1 3 321.342 4.017 20 0 DIADHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc2ncccc2o1 ZINC001535181873 1060482819 /nfs/dbraw/zinc/48/28/19/1060482819.db2.gz TZAZQSURIPLERL-UHFFFAOYSA-N -1 3 318.785 4.455 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@H]1c1ccccc1 ZINC001560658694 1060483313 /nfs/dbraw/zinc/48/33/13/1060483313.db2.gz HZYQDSGQHZWPQV-KRWDZBQOSA-N -1 3 303.352 4.254 20 0 DIADHM CCOc1ccc(COC(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC001527309805 1060485767 /nfs/dbraw/zinc/48/57/67/1060485767.db2.gz RSGBLYRBERYMPC-UHFFFAOYSA-N -1 3 320.772 4.110 20 0 DIADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1cc(F)cc(F)c1 ZINC001535225272 1060496997 /nfs/dbraw/zinc/49/69/97/1060496997.db2.gz GMBQUOMGTSKOMA-QMMMGPOBSA-N -1 3 312.699 4.242 20 0 DIADHM O=C1CCCc2nc([N-]c3c(F)ccc(Cl)c3F)sc21 ZINC001250087190 1060596964 /nfs/dbraw/zinc/59/69/64/1060596964.db2.gz SXGYLSZMTBWWDJ-UHFFFAOYSA-N -1 3 314.744 4.337 20 0 DIADHM COc1c(F)c(Cl)ccc1Nc1cc([O-])c(F)cc1F ZINC001250191709 1060668563 /nfs/dbraw/zinc/66/85/63/1060668563.db2.gz NBVIBFKJNJIOIW-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM Cc1nccn1-c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250233324 1060713550 /nfs/dbraw/zinc/71/35/50/1060713550.db2.gz LXVRUGGNQDAIOM-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CCC[C@H](CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001561197092 1060917642 /nfs/dbraw/zinc/91/76/42/1060917642.db2.gz NVMKKJPGSYDCJR-JTQLQIEISA-N -1 3 324.273 4.159 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2ccc3ncccc3c2[n-]1 ZINC001250645315 1060984807 /nfs/dbraw/zinc/98/48/07/1060984807.db2.gz LSMNWHZOVBDATH-UHFFFAOYSA-N -1 3 312.332 4.032 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2c(ccc3ncccc23)[n-]1 ZINC001250645315 1060984829 /nfs/dbraw/zinc/98/48/29/1060984829.db2.gz LSMNWHZOVBDATH-UHFFFAOYSA-N -1 3 312.332 4.032 20 0 DIADHM Cc1cc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2cc1Cl ZINC001250645279 1060986032 /nfs/dbraw/zinc/98/60/32/1060986032.db2.gz JIJXTLWLNSTNTD-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM [O-]c1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C1CC1 ZINC001250857053 1061097811 /nfs/dbraw/zinc/09/78/11/1061097811.db2.gz BYXOKIBZQMHJIK-UHFFFAOYSA-N -1 3 319.286 4.158 20 0 DIADHM CCn1c2cc(OC)ccc2nc1-c1c([O-])cccc1Cl ZINC001250864221 1061099284 /nfs/dbraw/zinc/09/92/84/1061099284.db2.gz YDBKACRGWBOZJY-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM CCn1c(-c2cc([O-])cc(Cl)c2)nc2ccc(F)c(F)c21 ZINC001250907774 1061119779 /nfs/dbraw/zinc/11/97/79/1061119779.db2.gz AQMUEBWRIJAYRX-UHFFFAOYSA-N -1 3 308.715 4.360 20 0 DIADHM [O-]c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(F)c1F ZINC001250912728 1061122393 /nfs/dbraw/zinc/12/23/93/1061122393.db2.gz KMMYWHAPIPNKEN-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM FC(F)(F)c1cc2nc(-c3ncco3)[n-]c2c(C(F)(F)F)c1 ZINC001250924011 1061126332 /nfs/dbraw/zinc/12/63/32/1061126332.db2.gz IIGSZFWYAJVJNT-UHFFFAOYSA-N -1 3 321.180 4.256 20 0 DIADHM FC(F)(F)c1cc2[n-]c(-c3ncco3)nc2c(C(F)(F)F)c1 ZINC001250924011 1061126345 /nfs/dbraw/zinc/12/63/45/1061126345.db2.gz IIGSZFWYAJVJNT-UHFFFAOYSA-N -1 3 321.180 4.256 20 0 DIADHM CCn1c2cc(F)ccc2nc1-c1cc(Cl)c(OC)cc1[O-] ZINC001251083586 1061228696 /nfs/dbraw/zinc/22/86/96/1061228696.db2.gz VTEVZYQBDUYKKK-UHFFFAOYSA-N -1 3 320.751 4.230 20 0 DIADHM COc1cc([O-])c(-c2nc3cc(Cl)ccc3n2C)cc1Cl ZINC001251083428 1061229888 /nfs/dbraw/zinc/22/98/88/1061229888.db2.gz UKQVWCRRHULTLF-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001456023764 1061259211 /nfs/dbraw/zinc/25/92/11/1061259211.db2.gz GQALLKFDONVLOB-KRWDZBQOSA-N -1 3 317.388 4.271 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001456087727 1061268165 /nfs/dbraw/zinc/26/81/65/1061268165.db2.gz XAABGFBNSRJBKF-YJBOKZPZSA-N -1 3 309.409 4.109 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(OC)o1 ZINC001456179118 1061283643 /nfs/dbraw/zinc/28/36/43/1061283643.db2.gz OAPWAPFVYWDSEM-UHFFFAOYSA-N -1 3 311.790 4.306 20 0 DIADHM COc1ccc(-c2nc3ccccc3n2C2CC2)c(Cl)c1[O-] ZINC001251338428 1061322385 /nfs/dbraw/zinc/32/23/85/1061322385.db2.gz GJJWPGMKAADXJH-UHFFFAOYSA-N -1 3 314.772 4.406 20 0 DIADHM CCn1c2ccccc2nc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001251349095 1061328800 /nfs/dbraw/zinc/32/88/00/1061328800.db2.gz JTPPJNZXNVMNKO-UHFFFAOYSA-N -1 3 306.287 4.448 20 0 DIADHM CC[C@@H]1CCCc2sc(NC(=O)c3ccc(C)cc3[O-])nc21 ZINC001456719316 1061360782 /nfs/dbraw/zinc/36/07/82/1061360782.db2.gz HYOLLKNMEFWTOL-LLVKDONJSA-N -1 3 316.426 4.239 20 0 DIADHM COc1cc([O-])c(-c2nc3c(ccc(C)c3C)[nH]2)c(Cl)c1 ZINC001251491302 1061377180 /nfs/dbraw/zinc/37/71/80/1061377180.db2.gz NUTPNCWXBLNCSH-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)c(C)c1 ZINC001251496190 1061381942 /nfs/dbraw/zinc/38/19/42/1061381942.db2.gz AQBJJSDKUGULOS-UHFFFAOYSA-N -1 3 321.417 4.169 20 0 DIADHM O=C(NC1(C2CCCCC2)CC1)c1cc2sccc2c([O-])c1 ZINC001456981236 1061394895 /nfs/dbraw/zinc/39/48/95/1061394895.db2.gz GQLQJAHPIOESGT-UHFFFAOYSA-N -1 3 315.438 4.450 20 0 DIADHM O=C(NCC[C@H]1CCC(F)(F)C1)c1cc([O-])c2ccccc2c1 ZINC001456974024 1061395283 /nfs/dbraw/zinc/39/52/83/1061395283.db2.gz KITJWLHCFJAKGX-GFCCVEGCSA-N -1 3 319.351 4.101 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3c(ccc4ncccc34)n2C2CC2)c1 ZINC001251570019 1061404297 /nfs/dbraw/zinc/40/42/97/1061404297.db2.gz PWQHZDIZDFRNKL-UHFFFAOYSA-N -1 3 319.339 4.431 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3cc(-c4ccncc4)ccc3[nH]2)c1 ZINC001251570507 1061406511 /nfs/dbraw/zinc/40/65/11/1061406511.db2.gz UCVKJXCYKICKMI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)c1 ZINC001251570507 1061406516 /nfs/dbraw/zinc/40/65/16/1061406516.db2.gz UCVKJXCYKICKMI-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CCCn1c(-c2cc([O-])cc(F)c2)nc2ccc(F)c(F)c21 ZINC001251570495 1061406772 /nfs/dbraw/zinc/40/67/72/1061406772.db2.gz STRKYIICDFGCCF-UHFFFAOYSA-N -1 3 306.287 4.236 20 0 DIADHM Cc1cc(Cl)cc(-c2nc3c(ccc4ncccc34)n2C)c1[O-] ZINC001251644516 1061429732 /nfs/dbraw/zinc/42/97/32/1061429732.db2.gz RBTYDWUHEFHXHX-UHFFFAOYSA-N -1 3 323.783 4.456 20 0 DIADHM Cc1cccc2[nH]c(-c3cc(Br)c(C)cc3[O-])nc21 ZINC001251644379 1061430413 /nfs/dbraw/zinc/43/04/13/1061430413.db2.gz KAPCCMLJSYRUTB-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251661337 1061434690 /nfs/dbraw/zinc/43/46/90/1061434690.db2.gz GRIZJGXNMJGVJH-UHFFFAOYSA-N -1 3 307.390 4.058 20 0 DIADHM O=C(Nc1cccc2cccnc21)c1cc2c(cc1[O-])CCCC2 ZINC001463568450 1061497125 /nfs/dbraw/zinc/49/71/25/1061497125.db2.gz BAKKJVUGQHCWFF-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM Cc1cc(-c2nc3ccccc3n2C)c([O-])cc1Br ZINC001251859879 1061514132 /nfs/dbraw/zinc/51/41/32/1061514132.db2.gz URIGXFXGENWYBJ-UHFFFAOYSA-N -1 3 317.186 4.017 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1onc2ccccc21 ZINC001463747710 1061516834 /nfs/dbraw/zinc/51/68/34/1061516834.db2.gz XMLLASALIXBLDM-UHFFFAOYSA-N -1 3 320.320 4.395 20 0 DIADHM CCCCOc1ccc(C(=O)NCCC[C@H]2C=CCC2)c([O-])c1 ZINC001457987031 1061532233 /nfs/dbraw/zinc/53/22/33/1061532233.db2.gz YHOXAAMGYUVBAR-HNNXBMFYSA-N -1 3 317.429 4.047 20 0 DIADHM CCCCOc1ccc(C(=O)NCCC[C@@H]2C=CCC2)c([O-])c1 ZINC001457987036 1061532422 /nfs/dbraw/zinc/53/24/22/1061532422.db2.gz YHOXAAMGYUVBAR-OAHLLOKOSA-N -1 3 317.429 4.047 20 0 DIADHM O=C(CCc1cccc2ccccc21)[N-]OCc1ccccc1 ZINC001463934030 1061536875 /nfs/dbraw/zinc/53/68/75/1061536875.db2.gz FXUXJJOPQOTPHY-UHFFFAOYSA-N -1 3 305.377 4.020 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c([O-])c1 ZINC001464116873 1061558766 /nfs/dbraw/zinc/55/87/66/1061558766.db2.gz RJUVZOPQBKLRIL-UHFFFAOYSA-N -1 3 324.380 4.392 20 0 DIADHM CC(C)c1ccc(C(=O)NCCc2ccc(Cl)s2)c([O-])c1 ZINC001464260130 1061568859 /nfs/dbraw/zinc/56/88/59/1061568859.db2.gz WMCVDXMULXXYHY-UHFFFAOYSA-N -1 3 323.845 4.203 20 0 DIADHM CCc1cccc2c1N(C(=O)c1cc3c(cc1[O-])CCCC3)CC2 ZINC001464345812 1061579680 /nfs/dbraw/zinc/57/96/80/1061579680.db2.gz POAVAGBEYGOTAA-UHFFFAOYSA-N -1 3 321.420 4.036 20 0 DIADHM CCOc1c(Cl)cccc1NC(=O)c1cccc(CC)c1[O-] ZINC001464479839 1061599808 /nfs/dbraw/zinc/59/98/08/1061599808.db2.gz RKFXZTSPVUROBQ-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001252190476 1061606268 /nfs/dbraw/zinc/60/62/68/1061606268.db2.gz QZRNTLSOOOWOSD-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c([O-])c1 ZINC001464591747 1061612403 /nfs/dbraw/zinc/61/24/03/1061612403.db2.gz XGFAHFJMKDFXMX-OAHLLOKOSA-N -1 3 311.425 4.187 20 0 DIADHM C[C@H]1CCC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464987660 1061659129 /nfs/dbraw/zinc/65/91/29/1061659129.db2.gz UHBDLKWWHONADW-SUMWQHHRSA-N -1 3 311.381 4.103 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc(O)c4ccccc4c3[O-])o2)cc1 ZINC001252615929 1061678369 /nfs/dbraw/zinc/67/83/69/1061678369.db2.gz AVLDHVXYRYSANO-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM Cc1ccc(-c2nnc(-c3nc4cc(Cl)ccc4[n-]3)o2)cc1 ZINC001252617487 1061679347 /nfs/dbraw/zinc/67/93/47/1061679347.db2.gz ZYBZWWATPKYHEY-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM CC(C)c1ccc(C(=O)NCC(C)(C)c2cccs2)c([O-])c1 ZINC001465100923 1061680340 /nfs/dbraw/zinc/68/03/40/1061680340.db2.gz KNBUPHUGYMFRSP-UHFFFAOYSA-N -1 3 317.454 4.285 20 0 DIADHM CCc1cccc(C(=O)N2CCc3ccccc3[C@@H]2CC)c1[O-] ZINC001465175214 1061697429 /nfs/dbraw/zinc/69/74/29/1061697429.db2.gz LGLRCQHFVSWASU-SFHVURJKSA-N -1 3 309.409 4.104 20 0 DIADHM CCc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c([O-])c1 ZINC001465251591 1061718241 /nfs/dbraw/zinc/71/82/41/1061718241.db2.gz RRDRJJULNRLJIH-INIZCTEOSA-N -1 3 313.397 4.305 20 0 DIADHM COc1cccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1[O-] ZINC001252803730 1061726284 /nfs/dbraw/zinc/72/62/84/1061726284.db2.gz SBKYTIXTGKWQHM-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccccc2[O-])c1 ZINC001465299042 1061728815 /nfs/dbraw/zinc/72/88/15/1061728815.db2.gz AOCOXWYJYFMKDA-GOSISDBHSA-N -1 3 309.409 4.458 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c([O-])c1 ZINC001465323354 1061734321 /nfs/dbraw/zinc/73/43/21/1061734321.db2.gz SVODPBVUSQZPTB-HKUYNNGSSA-N -1 3 323.436 4.096 20 0 DIADHM CCSCc1cccc(NC(=O)c2cc(CC)ccc2[O-])c1 ZINC001465350927 1061738455 /nfs/dbraw/zinc/73/84/55/1061738455.db2.gz VLUGCJYMBCTIQY-UHFFFAOYSA-N -1 3 315.438 4.460 20 0 DIADHM Cc1cc([O-])c(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(O)c1 ZINC001252844345 1061738535 /nfs/dbraw/zinc/73/85/35/1061738535.db2.gz INGJFDXZPWBEIZ-UHFFFAOYSA-N -1 3 324.380 4.421 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001465983136 1061855238 /nfs/dbraw/zinc/85/52/38/1061855238.db2.gz GWOZUMCYWZYXBD-UHFFFAOYSA-N -1 3 323.314 4.448 20 0 DIADHM CCc1cccc(C(=O)Nc2sc(C)nc2CC(C)C)c1[O-] ZINC001466034413 1061863003 /nfs/dbraw/zinc/86/30/03/1061863003.db2.gz NIXXBYCKUOSEOR-UHFFFAOYSA-N -1 3 318.442 4.170 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1coc2ccc(Cl)cc21 ZINC001466118373 1061879164 /nfs/dbraw/zinc/87/91/64/1061879164.db2.gz KCEZGKCIQQQMIC-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM CCC(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001466184089 1061893026 /nfs/dbraw/zinc/89/30/26/1061893026.db2.gz XEBZYPUCKPPWGR-UHFFFAOYSA-N -1 3 323.392 4.116 20 0 DIADHM Cc1cccc(-c2nnc(-c3nc4cc(Cl)ccc4[n-]3)o2)c1 ZINC001253621807 1061941632 /nfs/dbraw/zinc/94/16/32/1061941632.db2.gz VJJLZAJKTJIJBP-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccccc1[O-] ZINC001466530951 1061955416 /nfs/dbraw/zinc/95/54/16/1061955416.db2.gz MBUMABRUIZGBBI-JTQLQIEISA-N -1 3 324.207 4.060 20 0 DIADHM Cc1ccc(C)c(CSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001458958431 1061956365 /nfs/dbraw/zinc/95/63/65/1061956365.db2.gz PLFFVJFPXMNJIA-UHFFFAOYSA-N -1 3 300.427 4.110 20 0 DIADHM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC001466630915 1061975529 /nfs/dbraw/zinc/97/55/29/1061975529.db2.gz DISQWGVDDZCPLA-XHQXLQHBSA-N -1 3 305.393 4.488 20 0 DIADHM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2cc(F)ccc2[O-])C1(C)C ZINC001466630913 1061975572 /nfs/dbraw/zinc/97/55/72/1061975572.db2.gz DISQWGVDDZCPLA-BACITOSSSA-N -1 3 305.393 4.488 20 0 DIADHM CC1(C)CC=C(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001466631914 1061976372 /nfs/dbraw/zinc/97/63/72/1061976372.db2.gz BWRXFTGQKSOTLX-UHFFFAOYSA-N -1 3 324.218 4.230 20 0 DIADHM CCCc1nnc(-c2cc(-c3ccc(F)cc3F)ccc2[O-])o1 ZINC001253938331 1062000883 /nfs/dbraw/zinc/00/08/83/1062000883.db2.gz FYGMEBUKJDURBD-UHFFFAOYSA-N -1 3 316.307 4.340 20 0 DIADHM CCOc1cc(CN2CCCc3ccccc32)cc(Cl)c1[O-] ZINC001474408461 1062071831 /nfs/dbraw/zinc/07/18/31/1062071831.db2.gz FTKHSWGKOBRKDD-UHFFFAOYSA-N -1 3 317.816 4.397 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)c1 ZINC001254514577 1062157058 /nfs/dbraw/zinc/15/70/58/1062157058.db2.gz SZHJJZZGANOMLI-OLZOCXBDSA-N -1 3 312.756 4.367 20 0 DIADHM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1C ZINC001254611838 1062199999 /nfs/dbraw/zinc/19/99/99/1062199999.db2.gz XKJVVFAIIFTABH-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)c1 ZINC001254684684 1062233554 /nfs/dbraw/zinc/23/35/54/1062233554.db2.gz UXDOQEGRKXBTGY-HUUCEWRRSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccc(CN2CCCc3c(OC(F)F)cccc32)cc1F ZINC001474545113 1062239682 /nfs/dbraw/zinc/23/96/82/1062239682.db2.gz AJTZEXIJDSVJEK-UHFFFAOYSA-N -1 3 323.314 4.086 20 0 DIADHM CC(C)[C@H]1N(Cc2c(F)ccc([O-])c2F)CC12CCCCC2 ZINC001474573238 1062279309 /nfs/dbraw/zinc/27/93/09/1062279309.db2.gz WANPODUTQZIGJX-QGZVFWFLSA-N -1 3 309.400 4.461 20 0 DIADHM CCC[C@@H](CC1CCCC1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468310550 1062297778 /nfs/dbraw/zinc/29/77/78/1062297778.db2.gz KCRCAPRRBPZPLQ-ZDUSSCGKSA-N -1 3 315.417 4.204 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC)cc1 ZINC001255081127 1062307192 /nfs/dbraw/zinc/30/71/92/1062307192.db2.gz NMYUJDQZCQIDIH-UHFFFAOYSA-N -1 3 323.845 4.266 20 0 DIADHM CC(=O)c1cccc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1[O-] ZINC001468602489 1062360710 /nfs/dbraw/zinc/36/07/10/1062360710.db2.gz ZYIZUFMJGDYIIK-OCCSQVGLSA-N -1 3 317.429 4.386 20 0 DIADHM [O-]c1ccc(OCc2ccccc2)cc1-c1nnc(C2CCC2)o1 ZINC001255257422 1062369861 /nfs/dbraw/zinc/36/98/61/1062369861.db2.gz NZIYKXAJIXDZAY-UHFFFAOYSA-N -1 3 322.364 4.289 20 0 DIADHM COc1ccc([O-])c(-c2nnc(-c3ccc(Cl)cc3C)o2)c1 ZINC001255268020 1062371359 /nfs/dbraw/zinc/37/13/59/1062371359.db2.gz IALKTABNPDNDNV-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)(C)OCc1ccccc1NCc1ccc([O-])c(F)c1 ZINC001474713920 1062440936 /nfs/dbraw/zinc/44/09/36/1062440936.db2.gz NCBXVOXBCDZJKR-UHFFFAOYSA-N -1 3 303.377 4.459 20 0 DIADHM CCc1ccc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)c([O-])c1 ZINC001469105831 1062480584 /nfs/dbraw/zinc/48/05/84/1062480584.db2.gz FJATVHPBQJXKAD-UHFFFAOYSA-N -1 3 323.436 4.004 20 0 DIADHM O=C([N-]c1nc(-c2ccccc2)co1)c1c(F)ccc(F)c1F ZINC001459965139 1062534338 /nfs/dbraw/zinc/53/43/38/1062534338.db2.gz KKXPXJGYJKLUBX-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM CCc1cccc(C(=O)NC2(c3ccccc3C)CCC2)c1[O-] ZINC001469761905 1062621719 /nfs/dbraw/zinc/62/17/19/1062621719.db2.gz WGYLSRDCGGGZTF-UHFFFAOYSA-N -1 3 309.409 4.072 20 0 DIADHM [O-]c1ccc(Cc2nnc(-c3ccc4ccccc4c3)o2)cc1F ZINC001255979060 1062677147 /nfs/dbraw/zinc/67/71/47/1062677147.db2.gz WYWNTQKCUXMASP-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc3c2ccn3C(F)F)c1[O-] ZINC001470018173 1062686079 /nfs/dbraw/zinc/68/60/79/1062686079.db2.gz BERIZLYDFOSTCR-UHFFFAOYSA-N -1 3 316.307 4.303 20 0 DIADHM CCc1ccc(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)cc1 ZINC001470850720 1062874330 /nfs/dbraw/zinc/87/43/30/1062874330.db2.gz FLVPHTIVBLZQQX-UHFFFAOYSA-N -1 3 323.436 4.283 20 0 DIADHM O=C(Nc1cccc2ocnc21)c1cc2sccc2c([O-])c1 ZINC001471036573 1062911193 /nfs/dbraw/zinc/91/11/93/1062911193.db2.gz VFHYKJOXTRDLOC-UHFFFAOYSA-N -1 3 310.334 4.000 20 0 DIADHM COc1ccccc1[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001471294822 1062957903 /nfs/dbraw/zinc/95/79/03/1062957903.db2.gz BASSUKYHNYZTCI-ZDUSSCGKSA-N -1 3 313.397 4.015 20 0 DIADHM C[C@H]1C[C@@H]1c1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001256770384 1062969712 /nfs/dbraw/zinc/96/97/12/1062969712.db2.gz AOOGBGUTZAXJAV-WFASDCNBSA-N -1 3 322.364 4.145 20 0 DIADHM [O-]c1cc2c(O)cccc2cc1-c1nnc(CC2CCCCC2)o1 ZINC001257004421 1063075082 /nfs/dbraw/zinc/07/50/82/1063075082.db2.gz NRPUIKHDJZGBDW-UHFFFAOYSA-N -1 3 324.380 4.424 20 0 DIADHM Clc1ccc2[n-]c(-c3nnc(CC4CCCCC4)o3)nc2c1 ZINC001257009004 1063077359 /nfs/dbraw/zinc/07/73/59/1063077359.db2.gz ZZPHZCJFTHRVOH-UHFFFAOYSA-N -1 3 316.792 4.389 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001472494921 1063089496 /nfs/dbraw/zinc/08/94/96/1063089496.db2.gz KLVYRCWEMFNVHY-GJZGRUSLSA-N -1 3 319.445 4.127 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001472494923 1063091195 /nfs/dbraw/zinc/09/11/95/1063091195.db2.gz KLVYRCWEMFNVHY-HUUCEWRRSA-N -1 3 319.445 4.127 20 0 DIADHM Cc1cccc(C(=O)Nc2nc3c(ccc(F)c3C)s2)c1[O-] ZINC001472531816 1063096871 /nfs/dbraw/zinc/09/68/71/1063096871.db2.gz XHJKQLNEJMTQMV-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C1=CCCCCC1 ZINC001472558811 1063102970 /nfs/dbraw/zinc/10/29/70/1063102970.db2.gz UJYVKPPHPPCKOF-UHFFFAOYSA-N -1 3 322.368 4.047 20 0 DIADHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C1=CCCCCC1 ZINC001472558811 1063102980 /nfs/dbraw/zinc/10/29/80/1063102980.db2.gz UJYVKPPHPPCKOF-UHFFFAOYSA-N -1 3 322.368 4.047 20 0 DIADHM COc1cccc(-c2nnc([C@@H]3C[C@@H]3c3ccc(C)cc3)o2)c1[O-] ZINC001257208710 1063138485 /nfs/dbraw/zinc/13/84/85/1063138485.db2.gz DIPWBACLLSZNOY-HUUCEWRRSA-N -1 3 322.364 4.030 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3cc([O-])c(C)c(F)c3)o2)cc1 ZINC001257336038 1063216740 /nfs/dbraw/zinc/21/67/40/1063216740.db2.gz XCLUFTHTOSLLBQ-LSDHHAIUSA-N -1 3 324.355 4.469 20 0 DIADHM O=c1cc(COc2ccccc2Cl)nc(-c2ccccc2)[n-]1 ZINC001472926688 1063319532 /nfs/dbraw/zinc/31/95/32/1063319532.db2.gz PPVIAJCEZRQRMF-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM Clc1cc(-c2nnc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)o2)[n-]n1 ZINC001257703522 1063374830 /nfs/dbraw/zinc/37/48/30/1063374830.db2.gz WDPZZQRXBHIKIV-NXEZZACHSA-N -1 3 321.167 4.038 20 0 DIADHM Cc1c([O-])cc(-c2nnc(CCCc3ccccc3)o2)cc1F ZINC001257825571 1063396446 /nfs/dbraw/zinc/39/64/46/1063396446.db2.gz HIKUOVUMBHEUAO-UHFFFAOYSA-N -1 3 312.344 4.065 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1nccc2ccsc21 ZINC001461501690 1063541678 /nfs/dbraw/zinc/54/16/78/1063541678.db2.gz BJJPMIUKQSPUHQ-UHFFFAOYSA-N -1 3 318.398 4.410 20 0 DIADHM Cc1ccccc1Cc1nnc(-c2nc3cc(Cl)ccc3[n-]2)o1 ZINC001258381944 1063627194 /nfs/dbraw/zinc/62/71/94/1063627194.db2.gz SPTGCVBUPRSNCK-UHFFFAOYSA-N -1 3 324.771 4.166 20 0 DIADHM O=C([N-][C@H](c1ccccc1)C1CCCCC1)C(F)(F)C(F)F ZINC001515234358 1063660051 /nfs/dbraw/zinc/66/00/51/1063660051.db2.gz NDPKYAFCNLRLJJ-CYBMUJFWSA-N -1 3 317.326 4.325 20 0 DIADHM CCc1cccc(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)c1[O-] ZINC001299514918 1063695412 /nfs/dbraw/zinc/69/54/12/1063695412.db2.gz HVHGMPNUJGJSOJ-GOSISDBHSA-N -1 3 323.436 4.363 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nnc(CC2CCCC2)o1 ZINC001258617317 1063712666 /nfs/dbraw/zinc/71/26/66/1063712666.db2.gz FOXCQRGGMVFSMQ-UHFFFAOYSA-N -1 3 310.353 4.034 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nnc(CC4CCCC4)o3)c2c1 ZINC001258618657 1063713580 /nfs/dbraw/zinc/71/35/80/1063713580.db2.gz YKBJHXQQIVAMKB-UHFFFAOYSA-N -1 3 309.369 4.032 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)cc1Cl ZINC001259135646 1063884785 /nfs/dbraw/zinc/88/47/85/1063884785.db2.gz BQUOJGNPNVCUOM-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC001259484709 1063890011 /nfs/dbraw/zinc/89/00/11/1063890011.db2.gz YBIFFDVGLDIIPQ-GFCCVEGCSA-N -1 3 321.417 4.448 20 0 DIADHM [O-]c1ccc(F)c(CN(Cc2ccc(Cl)cc2)C2CC2)c1F ZINC001462043212 1063897104 /nfs/dbraw/zinc/89/71/04/1063897104.db2.gz DYAHIZRUSCSVJF-UHFFFAOYSA-N -1 3 323.770 4.488 20 0 DIADHM Cc1cc(F)ccc1[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC001289065268 1064591471 /nfs/dbraw/zinc/59/14/71/1064591471.db2.gz ADZIEOIAUZOJHZ-SNVBAGLBSA-N -1 3 308.736 4.411 20 0 DIADHM Cc1nc2ccc(NC(=O)c3ccc(C)c(C)c3[O-])cc2s1 ZINC001290042808 1064676095 /nfs/dbraw/zinc/67/60/95/1064676095.db2.gz NGPJPLPSWSYUGA-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1cc(Cl)cc(Cl)c1 ZINC001290430114 1064694907 /nfs/dbraw/zinc/69/49/07/1064694907.db2.gz SQBYEOQDFKSVJW-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM Cc1ccc(C[C@H]2CCCN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001292430502 1064774997 /nfs/dbraw/zinc/77/49/97/1064774997.db2.gz YBINMTAVQDENOG-GOSISDBHSA-N -1 3 323.436 4.104 20 0 DIADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccccc1[O-] ZINC001293316391 1064808069 /nfs/dbraw/zinc/80/80/69/1064808069.db2.gz BICZJVNLJQYGDN-INIZCTEOSA-N -1 3 323.417 4.168 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c1[O-] ZINC001293873580 1064835390 /nfs/dbraw/zinc/83/53/90/1064835390.db2.gz HTEFQYGHVHLLAQ-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c1 ZINC001293970139 1064841247 /nfs/dbraw/zinc/84/12/47/1064841247.db2.gz JHHCGHRTZKXLNL-CJNGLKHVSA-N -1 3 313.397 4.161 20 0 DIADHM O=C(CCCc1ccc(C2CC2)cc1)Nc1cccc([O-])c1F ZINC001295127544 1064901637 /nfs/dbraw/zinc/90/16/37/1064901637.db2.gz ASSFGASRTDYTPH-UHFFFAOYSA-N -1 3 313.372 4.370 20 0 DIADHM CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2O)c([O-])c1 ZINC001295350673 1064908168 /nfs/dbraw/zinc/90/81/68/1064908168.db2.gz JSQDBXMKGLMXFT-UHFFFAOYSA-N -1 3 305.761 4.127 20 0 DIADHM C[C@@H]1CCc2c(C(=O)Nc3cc(Cl)ccc3[O-])csc2C1 ZINC001295351701 1064908347 /nfs/dbraw/zinc/90/83/47/1064908347.db2.gz YZKQDMUAYWBFFU-SECBINFHSA-N -1 3 321.829 4.484 20 0 DIADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295673473 1064921388 /nfs/dbraw/zinc/92/13/88/1064921388.db2.gz GCWXNAHTQMVGND-MAUKXSAKSA-N -1 3 323.436 4.386 20 0 DIADHM CSc1ccc([O-])c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1 ZINC001295692974 1064923648 /nfs/dbraw/zinc/92/36/48/1064923648.db2.gz YZUDGZNRENKTKN-UHFFFAOYSA-N -1 3 321.486 4.449 20 0 DIADHM O=C(C[C@@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[O-] ZINC001295971590 1064933388 /nfs/dbraw/zinc/93/33/88/1064933388.db2.gz FCRJHGHCHQWJNP-ZDUSSCGKSA-N -1 3 315.800 4.494 20 0 DIADHM O=C(/C=C/CCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001295972855 1064933891 /nfs/dbraw/zinc/93/38/91/1064933891.db2.gz UKMQCSBJSQNQFD-WEVVVXLNSA-N -1 3 301.773 4.173 20 0 DIADHM COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC001296516402 1064950038 /nfs/dbraw/zinc/95/00/38/1064950038.db2.gz XXWHYZMNBSGHLM-ZIAGYGMSSA-N -1 3 319.445 4.126 20 0 DIADHM Cc1cc2scc(CC(=O)[N-]OC3CCCCC3)c2s1 ZINC001296790584 1064962084 /nfs/dbraw/zinc/96/20/84/1064962084.db2.gz FXPRGMUSZZWADF-UHFFFAOYSA-N -1 3 309.456 4.194 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001297232846 1064975337 /nfs/dbraw/zinc/97/53/37/1064975337.db2.gz PCXZHCDRVMECEC-DZGCQCFKSA-N -1 3 303.446 4.283 20 0 DIADHM Cc1cccc([O-])c1C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001297232848 1064975580 /nfs/dbraw/zinc/97/55/80/1064975580.db2.gz PCXZHCDRVMECEC-UKRRQHHQSA-N -1 3 303.446 4.283 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCc3c(cccc3C(C)C)C2)c1 ZINC001297415273 1064979545 /nfs/dbraw/zinc/97/95/45/1064979545.db2.gz IZIIGWFQMWVVDD-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM O=C(CCCc1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC001298551271 1065009602 /nfs/dbraw/zinc/00/96/02/1065009602.db2.gz XWYCUNQKBBZPQD-UHFFFAOYSA-N -1 3 307.752 4.146 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001298607146 1065010228 /nfs/dbraw/zinc/01/02/28/1065010228.db2.gz RBMPDSPUMKRRCW-VXGBXAGGSA-N -1 3 317.351 4.293 20 0 DIADHM CC(=O)c1cccc(NC(=O)/C=C/C2CCCCCC2)c1[O-] ZINC001298749243 1065018465 /nfs/dbraw/zinc/01/84/65/1065018465.db2.gz UIXYPKRIWMSZIV-VAWYXSNFSA-N -1 3 301.386 4.060 20 0 DIADHM CCc1cccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c1[O-] ZINC001298808825 1065022739 /nfs/dbraw/zinc/02/27/39/1065022739.db2.gz BRDKLKUHRMPABT-CYBMUJFWSA-N -1 3 315.417 4.011 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(c1ccccc1)C1CCC1 ZINC001301685866 1065070258 /nfs/dbraw/zinc/07/02/58/1065070258.db2.gz WRAHHJQAODBAFN-UHFFFAOYSA-N -1 3 301.773 4.245 20 0 DIADHM CCCn1ncc([N-]c2nc3c(cccc3F)o2)c1C1CC1 ZINC001307121821 1065271953 /nfs/dbraw/zinc/27/19/53/1065271953.db2.gz ALVLXUAMOTUISX-UHFFFAOYSA-N -1 3 300.337 4.194 20 0 DIADHM CCc1ccc(N(CC)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001307536027 1065470683 /nfs/dbraw/zinc/47/06/83/1065470683.db2.gz XHJMFBOEIVNFHM-UHFFFAOYSA-N -1 3 323.396 4.031 20 0 DIADHM C[C@@H](NCc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCCC2 ZINC001308669858 1066146902 /nfs/dbraw/zinc/14/69/02/1066146902.db2.gz WQDNMZTWOJTEAW-GFCCVEGCSA-N -1 3 317.379 4.400 20 0 DIADHM Cc1cc(C)c2c(c1)N(Cc1c(F)ccc([O-])c1F)CCC2 ZINC001308675363 1066149286 /nfs/dbraw/zinc/14/92/86/1066149286.db2.gz FCKRNRYLVDOLOK-UHFFFAOYSA-N -1 3 303.352 4.240 20 0 DIADHM Cc1ccc2c(c1)[C@H](NCc1ccc([O-])c(F)c1F)CCC2 ZINC001308777227 1066250670 /nfs/dbraw/zinc/25/06/70/1066250670.db2.gz MLNALTLGFUMXCE-OAHLLOKOSA-N -1 3 303.352 4.146 20 0 DIADHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001309563063 1066460942 /nfs/dbraw/zinc/46/09/42/1066460942.db2.gz DRYJIZMIZNMSNP-SECBINFHSA-N -1 3 324.273 4.096 20 0 DIADHM O=[S@@](Cc1c(Cl)cccc1Cl)c1ccc([O-])cc1 ZINC000108084647 185500463 /nfs/dbraw/zinc/50/04/63/185500463.db2.gz KVZPYXOAYMZORE-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM O=C([O-])C[C@@H](NCc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000417538965 334958736 /nfs/dbraw/zinc/95/87/36/334958736.db2.gz UZLYHNPFIMDIOG-QGZVFWFLSA-N -1 3 315.438 4.321 20 0 DIADHM CCCc1nc(C)c(C(=O)[N-]c2c(F)cc(F)cc2F)s1 ZINC000072505363 191184048 /nfs/dbraw/zinc/18/40/48/191184048.db2.gz GMKNMRNYVVMJFS-UHFFFAOYSA-N -1 3 314.332 4.074 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000006317040 181329303 /nfs/dbraw/zinc/32/93/03/181329303.db2.gz RMIKTLSMDZOOMT-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM O=C([O-])[C@@H](CC1CCCC1)NCc1cc(Cl)sc1Cl ZINC000417578974 334997539 /nfs/dbraw/zinc/99/75/39/334997539.db2.gz OOPNJOFOQONTGY-SNVBAGLBSA-N -1 3 322.257 4.178 20 0 DIADHM O=C([O-])CC[C@H](NCc1cc(Cl)cs1)c1ccccc1 ZINC000417598988 335002665 /nfs/dbraw/zinc/00/26/65/335002665.db2.gz GVLSEQFARBXIKP-AWEZNQCLSA-N -1 3 309.818 4.097 20 0 DIADHM CSc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000417600809 335003113 /nfs/dbraw/zinc/00/31/13/335003113.db2.gz KCWRNLQHFQJNFW-QGZVFWFLSA-N -1 3 315.438 4.104 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CN[C@H](C)CCC(=O)[O-] ZINC000417612379 335011154 /nfs/dbraw/zinc/01/11/54/335011154.db2.gz PBODYLVFEWLWEU-LLVKDONJSA-N -1 3 315.866 4.183 20 0 DIADHM Cc1oc2ccccc2c1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417617720 335009947 /nfs/dbraw/zinc/00/99/47/335009947.db2.gz CJSKJTHODPOYJX-FUHWJXTLSA-N -1 3 321.376 4.144 20 0 DIADHM CC[C@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000417621161 335017589 /nfs/dbraw/zinc/01/75/89/335017589.db2.gz KPQXDBXQJFMYLK-LLVKDONJSA-N -1 3 323.742 4.092 20 0 DIADHM C[C@@H](CC(C)(C)NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417631391 335020075 /nfs/dbraw/zinc/02/00/75/335020075.db2.gz FAXQEYDLLNNRQZ-JTQLQIEISA-N -1 3 309.793 4.065 20 0 DIADHM CCC[C@@H](CCCCNCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000417638513 335022411 /nfs/dbraw/zinc/02/24/11/335022411.db2.gz JXSMUVGVUVAKHS-LBPRGKRZSA-N -1 3 315.816 4.240 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000417634555 335020827 /nfs/dbraw/zinc/02/08/27/335020827.db2.gz ISWRSPQEXMQWFF-CYBMUJFWSA-N -1 3 318.244 4.363 20 0 DIADHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000023993838 182371372 /nfs/dbraw/zinc/37/13/72/182371372.db2.gz JQDSVAKSGNOBEW-JTQLQIEISA-N -1 3 324.273 4.096 20 0 DIADHM O=C([O-])C[C@H]1CCCCN1Cc1sc2ccccc2c1Cl ZINC000038027370 182970749 /nfs/dbraw/zinc/97/07/49/182970749.db2.gz DZXGACDUOBPISU-LLVKDONJSA-N -1 3 323.845 4.384 20 0 DIADHM O=c1c2ccc(OC3CCCC3)cc2occ1-c1ccc([O-])cc1 ZINC000058581031 184123481 /nfs/dbraw/zinc/12/34/81/184123481.db2.gz RFDBJXQLCPTPCX-UHFFFAOYSA-N -1 3 322.360 4.487 20 0 in-vivo DIADHM Cc1cc(-c2ncccc2NC([O-])=NOC2CCCC2)cs1 ZINC000275488137 130326379 /nfs/dbraw/zinc/32/63/79/130326379.db2.gz AAWHEDCFBJEAPD-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM Cc1cc(-c2ncccc2NC(=O)[N-]OC2CCCC2)cs1 ZINC000275488137 130326386 /nfs/dbraw/zinc/32/63/86/130326386.db2.gz AAWHEDCFBJEAPD-UHFFFAOYSA-N -1 3 317.414 4.114 20 0 DIADHM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000284366767 131074164 /nfs/dbraw/zinc/07/41/64/131074164.db2.gz XDTWABQYDWRRTN-LLVKDONJSA-N -1 3 323.820 4.455 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2nc(C(C)C)oc2C)s1 ZINC000285104625 131138744 /nfs/dbraw/zinc/13/87/44/131138744.db2.gz MGKGJWZNSCCOQF-UHFFFAOYSA-N -1 3 322.434 4.114 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000295007471 131877784 /nfs/dbraw/zinc/87/77/84/131877784.db2.gz POZJNAOXBSNTJM-VQIMIIECSA-N -1 3 323.436 4.269 20 0 DIADHM CC(C)n1cccc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000343322377 335081258 /nfs/dbraw/zinc/08/12/58/335081258.db2.gz NBNMHFWHABLXFF-UHFFFAOYSA-N -1 3 312.291 4.046 20 0 DIADHM C[C@H]1CCN(C(=O)Cc2coc3ccccc23)c2c([O-])cccc21 ZINC000580341020 335090296 /nfs/dbraw/zinc/09/02/96/335090296.db2.gz KLURQZGRVMFWQA-ZDUSSCGKSA-N -1 3 321.376 4.221 20 0 DIADHM Cc1cc([N-]c2nnc(C(C)C)o2)cnc1N1CCCC[C@H]1C ZINC000520505695 435751411 /nfs/dbraw/zinc/75/14/11/435751411.db2.gz GWTNACOHZCMOMU-CYBMUJFWSA-N -1 3 315.421 4.019 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000063240216 331504772 /nfs/dbraw/zinc/50/47/72/331504772.db2.gz XAIFCTYKFQWASE-LBPRGKRZSA-N -1 3 303.789 4.187 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1ccc(Oc2ccccc2)o1 ZINC000183258506 331550897 /nfs/dbraw/zinc/55/08/97/331550897.db2.gz GBYIURXNMHDAJK-UHFFFAOYSA-N -1 3 313.284 4.169 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000533617317 331607845 /nfs/dbraw/zinc/60/78/45/331607845.db2.gz OXGXOFJCUFIJOA-PWSUYJOCSA-N -1 3 323.726 4.066 20 0 DIADHM CCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000530717227 331620959 /nfs/dbraw/zinc/62/09/59/331620959.db2.gz JECKXQUMGLQVNP-UHFFFAOYSA-N -1 3 309.818 4.012 20 0 DIADHM CCO[C@@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000530874902 331632032 /nfs/dbraw/zinc/63/20/32/331632032.db2.gz PZODYOGYNRLSCG-MRXNPFEDSA-N -1 3 319.788 4.070 20 0 DIADHM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000530895378 331633394 /nfs/dbraw/zinc/63/33/94/331633394.db2.gz VPVIRLFALOWZFE-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000557182297 331774716 /nfs/dbraw/zinc/77/47/16/331774716.db2.gz PNRFLZZKQCDZDZ-MNOVXSKESA-N -1 3 322.191 4.441 20 0 DIADHM Cc1c2ccccc2oc1C(=O)Nc1c([O-])cccc1Cl ZINC000557179697 331775046 /nfs/dbraw/zinc/77/50/46/331775046.db2.gz CVKFNILKNIQLFG-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](c2ccccc2)C1 ZINC000558303013 331895257 /nfs/dbraw/zinc/89/52/57/331895257.db2.gz JMLOJSSMQMYLRJ-CQSZACIVSA-N -1 3 315.800 4.065 20 0 DIADHM Cc1ccc(C)c(SCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000558470753 331910276 /nfs/dbraw/zinc/91/02/76/331910276.db2.gz NKESTIZDZVCRDH-UHFFFAOYSA-N -1 3 321.829 4.393 20 0 DIADHM Cc1cc(C)cc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000573411209 332008842 /nfs/dbraw/zinc/00/88/42/332008842.db2.gz BTVMEEQHVGEJON-LBPRGKRZSA-N -1 3 303.789 4.153 20 0 DIADHM CSc1cccc(F)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000409857492 332061041 /nfs/dbraw/zinc/06/10/41/332061041.db2.gz LRJBXBYUZUXTRQ-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM CCCc1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)no1 ZINC000410481439 332148662 /nfs/dbraw/zinc/14/86/62/332148662.db2.gz FRPQMTFTMQZVOW-UHFFFAOYSA-N -1 3 320.414 4.170 20 0 DIADHM Cc1ccccc1[C@@H](CC(=O)[O-])NCc1coc2ccccc12 ZINC000426790932 332153907 /nfs/dbraw/zinc/15/39/07/332153907.db2.gz CFYHDHHFSHWCJW-QGZVFWFLSA-N -1 3 309.365 4.047 20 0 DIADHM Cc1cc([C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])ccc1Cl ZINC000426798105 332154823 /nfs/dbraw/zinc/15/48/23/332154823.db2.gz HKZCIQKWMKFSKF-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000426798606 332155066 /nfs/dbraw/zinc/15/50/66/332155066.db2.gz JLNGZWXZPNXCST-QGZVFWFLSA-N -1 3 317.816 4.262 20 0 DIADHM CSc1cccc(N(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000559439184 332259354 /nfs/dbraw/zinc/25/93/54/332259354.db2.gz ASTXNYSVWVDOFI-UHFFFAOYSA-N -1 3 307.802 4.044 20 0 DIADHM CC(C)(C)Oc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000559872413 332286861 /nfs/dbraw/zinc/28/68/61/332286861.db2.gz XTAUPJKMDHDEHN-UHFFFAOYSA-N -1 3 319.788 4.475 20 0 DIADHM O=C(C[C@H]1C=CCC1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000531113543 332327238 /nfs/dbraw/zinc/32/72/38/332327238.db2.gz WXIFISDZSOQTDV-INIZCTEOSA-N -1 3 307.393 4.278 20 0 DIADHM Cc1oc([C@@H](C)N2CCC[C@@]3(CC=CCC3)C2)cc1C(=O)[O-] ZINC000566359886 332376335 /nfs/dbraw/zinc/37/63/35/332376335.db2.gz ZLOUEKPTXOITRF-ACJLOTCBSA-N -1 3 303.402 4.170 20 0 DIADHM CC(C)(C)c1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC000560820428 332388548 /nfs/dbraw/zinc/38/85/48/332388548.db2.gz CUPIOKDEUOLQPM-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000560822784 332388789 /nfs/dbraw/zinc/38/87/89/332388789.db2.gz YHDJUXMNCGBFPF-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM CC(F)(F)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000569634444 332531299 /nfs/dbraw/zinc/53/12/99/332531299.db2.gz VDZQOLJCTJUISB-UHFFFAOYSA-N -1 3 320.726 4.355 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000318078810 332595581 /nfs/dbraw/zinc/59/55/81/332595581.db2.gz NNEOAWHIRNBEBC-QWRGUYRKSA-N -1 3 312.291 4.278 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000531135467 332634604 /nfs/dbraw/zinc/63/46/04/332634604.db2.gz YVTFWCZTVAFCDJ-VHSXEESVSA-N -1 3 323.726 4.066 20 0 DIADHM CC[C@@H](NCc1cccc([O-])c1Cl)c1ccc(OC)cc1 ZINC000294199072 332638823 /nfs/dbraw/zinc/63/88/23/332638823.db2.gz RISPASJVDUEORY-OAHLLOKOSA-N -1 3 305.805 4.295 20 0 DIADHM CCCc1nnc([N-]C(=O)c2oc3ccccc3c2CC)s1 ZINC000448758795 332758034 /nfs/dbraw/zinc/75/80/34/332758034.db2.gz GCIYVPSMNJMWAJ-UHFFFAOYSA-N -1 3 315.398 4.052 20 0 DIADHM CCCOCC(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000580126510 332950227 /nfs/dbraw/zinc/95/02/27/332950227.db2.gz IJKKZYLIPIBCSQ-UHFFFAOYSA-N -1 3 316.401 4.004 20 0 DIADHM CC(C)[C@H](C(=O)Nc1ccccc1[O-])c1cccc(Cl)c1 ZINC000531157581 333035536 /nfs/dbraw/zinc/03/55/36/333035536.db2.gz DLJYILGAQWAFQV-INIZCTEOSA-N -1 3 303.789 4.424 20 0 DIADHM Cc1ccc(NC(=O)Cc2ccc([O-])cc2Cl)c(Cl)c1 ZINC000181766304 333076853 /nfs/dbraw/zinc/07/68/53/333076853.db2.gz BLWYIWCMJGXSRU-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM O=C([N-]c1cc(F)ccc1F)c1cc(-c2ccccc2)ns1 ZINC000462112157 333141292 /nfs/dbraw/zinc/14/12/92/333141292.db2.gz NRCNCFWFOVPCFG-UHFFFAOYSA-N -1 3 316.332 4.341 20 0 DIADHM Cc1ccc(-c2nc(CSc3ccc(F)cc3)no2)c([O-])c1 ZINC000388026519 333195682 /nfs/dbraw/zinc/19/56/82/333195682.db2.gz CHPDWGILAPVUKT-UHFFFAOYSA-N -1 3 316.357 4.182 20 0 DIADHM O=C([N-]c1ccccc1SC1CCCC1)c1cscn1 ZINC000062660515 333246086 /nfs/dbraw/zinc/24/60/86/333246086.db2.gz KXAVORGZLOHROM-UHFFFAOYSA-N -1 3 304.440 4.430 20 0 DIADHM O=C(CCc1ccco1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000531351730 333345690 /nfs/dbraw/zinc/34/56/90/333345690.db2.gz INVAFBUYAIEYLG-UHFFFAOYSA-N -1 3 321.376 4.147 20 0 DIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C)(c2ccccc2)C1 ZINC000516657211 333393827 /nfs/dbraw/zinc/39/38/27/333393827.db2.gz WGLLDINMRNQBST-LIRRHRJNSA-N -1 3 313.397 4.093 20 0 DIADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCCc4ccccc43)no2)c1 ZINC000320799355 335143602 /nfs/dbraw/zinc/14/36/02/335143602.db2.gz JNKVCELAAGDDBQ-OAHLLOKOSA-N -1 3 306.365 4.219 20 0 DIADHM Cc1cccc(-c2nc([C@@H]3CCCc4ccccc43)no2)c1[O-] ZINC000320802647 335145455 /nfs/dbraw/zinc/14/54/55/335145455.db2.gz JXLCKJBWSOJXAS-OAHLLOKOSA-N -1 3 306.365 4.219 20 0 DIADHM CC1(C2CC2)CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000563454090 333608578 /nfs/dbraw/zinc/60/85/78/333608578.db2.gz INCULSRRMCBKFE-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM Cc1ccc(-c2nc([C@@H]3CCCc4ccccc43)no2)c([O-])c1 ZINC000320833206 335150386 /nfs/dbraw/zinc/15/03/86/335150386.db2.gz NSLMEMMDKULZPU-OAHLLOKOSA-N -1 3 306.365 4.219 20 0 DIADHM CSC[C@@H](C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000293351802 334197386 /nfs/dbraw/zinc/19/73/86/334197386.db2.gz FUVOEAQBMSINJV-SNVBAGLBSA-N -1 3 300.383 4.062 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1cc(-c2ccc(F)cc2)on1 ZINC000187820986 334274254 /nfs/dbraw/zinc/27/42/54/334274254.db2.gz PDDGYNPYEUUJOE-UHFFFAOYSA-N -1 3 322.748 4.448 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000297507702 334241949 /nfs/dbraw/zinc/24/19/49/334241949.db2.gz VOHQTWVUKGBNCC-CYBMUJFWSA-N -1 3 313.401 4.156 20 0 DIADHM Cc1cc2cc(NC(=O)c3cn[n-]c3-c3ccsc3)ccc2[nH]1 ZINC000187849572 334276057 /nfs/dbraw/zinc/27/60/57/334276057.db2.gz OECHDNUYCXMRKU-UHFFFAOYSA-N -1 3 322.393 4.180 20 0 DIADHM Cc1cc2cc(NC(=O)c3c[n-]nc3-c3ccsc3)ccc2[nH]1 ZINC000187849572 334276058 /nfs/dbraw/zinc/27/60/58/334276058.db2.gz OECHDNUYCXMRKU-UHFFFAOYSA-N -1 3 322.393 4.180 20 0 DIADHM Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)c([O-])c1 ZINC000534470736 334266271 /nfs/dbraw/zinc/26/62/71/334266271.db2.gz WHBDMMHJMQNXMY-LBPRGKRZSA-N -1 3 303.789 4.171 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c1 ZINC000048652299 334291035 /nfs/dbraw/zinc/29/10/35/334291035.db2.gz BACSFJGAHJVHMX-UHFFFAOYSA-N -1 3 309.818 4.066 20 0 DIADHM Cc1cc2[nH]c(C(=O)Nc3cc(Cl)ccc3[O-])cc2c(C)c1 ZINC000111210893 334306297 /nfs/dbraw/zinc/30/62/97/334306297.db2.gz PWPBWVIZGVGTNL-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2cccc(Cl)c2)CC1 ZINC000111211240 334306726 /nfs/dbraw/zinc/30/67/26/334306726.db2.gz RNUQYESMPIZDTK-UHFFFAOYSA-N -1 3 322.191 4.369 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cn(C)c3ccccc23)c1[O-] ZINC000534708585 334331545 /nfs/dbraw/zinc/33/15/45/334331545.db2.gz GZXZZNHUECNUMW-UHFFFAOYSA-N -1 3 314.772 4.098 20 0 DIADHM O=C(Cc1ccc(F)cc1Cl)Nc1cc(Cl)ccc1[O-] ZINC000532011298 334371371 /nfs/dbraw/zinc/37/13/71/334371371.db2.gz ICORTOHFLYSTHH-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccsc2)s1 ZINC000112227722 334373397 /nfs/dbraw/zinc/37/33/97/334373397.db2.gz NGIGQXNHRFMOSE-UHFFFAOYSA-N -1 3 322.361 4.402 20 0 DIADHM CCc1noc(C)c1[N-]C(=O)c1ccc(-c2cccs2)o1 ZINC000341224740 334419887 /nfs/dbraw/zinc/41/98/87/334419887.db2.gz GQQMNZOMNLNBQG-UHFFFAOYSA-N -1 3 302.355 4.119 20 0 DIADHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc(C)c(C)c1[O-] ZINC000443390775 338450385 /nfs/dbraw/zinc/45/03/85/338450385.db2.gz WUYMVEBOYAQGNA-UHFFFAOYSA-N -1 3 322.408 4.153 20 0 DIADHM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)c(C)s1 ZINC000342074408 334507114 /nfs/dbraw/zinc/50/71/14/334507114.db2.gz WXMBSEAYVTVOAV-UHFFFAOYSA-N -1 3 316.760 4.252 20 0 DIADHM COc1cccc(SC)c1[N-]C(=O)c1scnc1C(C)C ZINC000416120684 334652380 /nfs/dbraw/zinc/65/23/80/334652380.db2.gz HZLYCUCIPGOJQY-UHFFFAOYSA-N -1 3 322.455 4.249 20 0 DIADHM CCC1(C(=O)Nc2cc(Br)ccc2[O-])CCCC1 ZINC000535414029 334729496 /nfs/dbraw/zinc/72/94/96/334729496.db2.gz OAMMTBVFAODHDQ-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2cc(C)c(CC)o2)c1F ZINC000535487140 334736475 /nfs/dbraw/zinc/73/64/75/334736475.db2.gz UAVBAVJLEQULFT-UHFFFAOYSA-N -1 3 309.312 4.080 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2csc(Cl)c2)c(F)c1 ZINC000344044194 335211832 /nfs/dbraw/zinc/21/18/32/335211832.db2.gz FGNGXDKAEONISP-UHFFFAOYSA-N -1 3 315.728 4.135 20 0 DIADHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])ccc1Cl)CCC2 ZINC000344715674 335275320 /nfs/dbraw/zinc/27/53/20/335275320.db2.gz ZKYDJAIAXLBWAG-KRWDZBQOSA-N -1 3 315.800 4.161 20 0 DIADHM CCCCSCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345150267 335301682 /nfs/dbraw/zinc/30/16/82/335301682.db2.gz BEKWQTOGYCEVLA-CYBMUJFWSA-N -1 3 307.459 4.156 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1ccc(-c2cccs2)o1 ZINC000345941318 335362454 /nfs/dbraw/zinc/36/24/54/335362454.db2.gz OETQPCXJBPYREJ-UHFFFAOYSA-N -1 3 303.314 4.105 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(C)noc2C2CC2)c(C(F)(F)F)o1 ZINC000349529866 335677231 /nfs/dbraw/zinc/67/72/31/335677231.db2.gz OXJUQWUIXXYUFL-UHFFFAOYSA-N -1 3 314.263 4.033 20 0 DIADHM CC1(C)C[C@H](NCc2cc([O-])cc(F)c2)c2ccc(F)cc2O1 ZINC000349666384 335690269 /nfs/dbraw/zinc/69/02/69/335690269.db2.gz KRDQZVKKQVWLQG-INIZCTEOSA-N 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XJYFDPFVGLXBIN-UHFFFAOYSA-N -1 3 307.802 4.396 20 0 DIADHM Cc1nc2c(s1)[C@@H](N(C)Cc1cccc([O-])c1Cl)CCC2 ZINC000351605286 336049444 /nfs/dbraw/zinc/04/94/44/336049444.db2.gz YQGUDPQCGSFOEE-ZDUSSCGKSA-N -1 3 322.861 4.320 20 0 DIADHM Cc1cc(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)c(C)o1 ZINC000445861528 338513406 /nfs/dbraw/zinc/51/34/06/338513406.db2.gz LTSMZRNPWFFUHP-UHFFFAOYSA-N -1 3 310.353 4.198 20 0 DIADHM [O-]c1c(-c2nc([C@@H]3CCC(F)(F)C3)no2)ccc2c1CCCC2 ZINC000333263586 336200914 /nfs/dbraw/zinc/20/09/14/336200914.db2.gz GCBYRSRJHNLOFT-LLVKDONJSA-N -1 3 320.339 4.224 20 0 DIADHM Cc1noc(C)c1[N-]C(=O)c1csc(C2CCCCC2)n1 ZINC000334022824 336216191 /nfs/dbraw/zinc/21/61/91/336216191.db2.gz DSRGBKZCMVKURO-UHFFFAOYSA-N -1 3 305.403 4.048 20 0 DIADHM O=C(N[C@@H]1CCSc2ccccc21)c1cc([O-])ccc1Cl ZINC000352777263 336235960 /nfs/dbraw/zinc/23/59/60/336235960.db2.gz YDITYPIQPSSWDJ-CQSZACIVSA-N -1 3 319.813 4.013 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCc2ccccc21 ZINC000532837909 336272639 /nfs/dbraw/zinc/27/26/39/336272639.db2.gz TURWXNLTMDDRNT-AWEZNQCLSA-N -1 3 301.773 4.104 20 0 DIADHM Cc1[nH]c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2c1C ZINC000532836472 336272646 /nfs/dbraw/zinc/27/26/46/336272646.db2.gz GSLQJOXDTXIDCV-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1F ZINC000532840518 336272767 /nfs/dbraw/zinc/27/27/67/336272767.db2.gz RJBQTDODYIQILU-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])c(Br)c1 ZINC000183029134 336280918 /nfs/dbraw/zinc/28/09/18/336280918.db2.gz SXAGARSYBIYUNR-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC(C)COC[C@@H]([N-]c1nc2ccccc2o1)c1ccco1 ZINC000301137269 336291703 /nfs/dbraw/zinc/29/17/03/336291703.db2.gz BUOJQEFKRSCVKV-CQSZACIVSA-N -1 3 300.358 4.247 20 0 DIADHM Cc1oc2ccccc2c1CNCc1c(F)ccc([O-])c1F ZINC000352926822 336377629 /nfs/dbraw/zinc/37/76/29/336377629.db2.gz RPUNPMGLPLOBBV-UHFFFAOYSA-N -1 3 303.308 4.015 20 0 DIADHM Cc1ccc([O-])c(CNc2cc(C(C)C)nn2-c2ccccc2)n1 ZINC000353252233 336408290 /nfs/dbraw/zinc/40/82/90/336408290.db2.gz RTYFATWGMYZMAA-UHFFFAOYSA-N -1 3 322.412 4.017 20 0 DIADHM C[C@@H]1CCN(C(=O)C[C@H]2C[C@H]2c2ccccc2)c2c([O-])cccc21 ZINC000354769382 336481682 /nfs/dbraw/zinc/48/16/82/336481682.db2.gz LKWMSCYKGDGWQB-KYJSFNMBSA-N -1 3 321.420 4.426 20 0 DIADHM CC(C)c1occc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000360029715 336698329 /nfs/dbraw/zinc/69/83/29/336698329.db2.gz RHCSPWLXDVOBGU-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)C1(Cc2cccc(F)c2)CCC1 ZINC000360669374 336718427 /nfs/dbraw/zinc/71/84/27/336718427.db2.gz OWPQJXMRTAECSF-UHFFFAOYSA-N -1 3 317.335 4.022 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000303361842 336952045 /nfs/dbraw/zinc/95/20/45/336952045.db2.gz HTCBNRFZGXJIAC-UHFFFAOYSA-N -1 3 306.793 4.297 20 0 DIADHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Cl ZINC000426750402 337013074 /nfs/dbraw/zinc/01/30/74/337013074.db2.gz MZZAMODUJDRSME-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(Cl)cs2)CC)n1 ZINC000193615771 337078738 /nfs/dbraw/zinc/07/87/38/337078738.db2.gz BUIUYVLNVZGFEI-POHAHGRESA-N -1 3 308.834 4.388 20 0 DIADHM CCC[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000582491137 337098312 /nfs/dbraw/zinc/09/83/12/337098312.db2.gz UVHJPLVUKMVDGR-KRWDZBQOSA-N -1 3 309.837 4.440 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000179549613 337170178 /nfs/dbraw/zinc/17/01/78/337170178.db2.gz NVHGQFVWBNCEJC-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1c(C)cccc1[O-] ZINC000179566769 337170361 /nfs/dbraw/zinc/17/03/61/337170361.db2.gz AXJGJDZEHSGRCY-UHFFFAOYSA-N -1 3 316.426 4.375 20 0 DIADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000582910249 337216634 /nfs/dbraw/zinc/21/66/34/337216634.db2.gz GGLAPLNNNRYKFC-IJEWVQPXSA-N -1 3 313.397 4.164 20 0 DIADHM CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C[C@@H](C)CC)nc2)n1 ZINC000582997858 337226981 /nfs/dbraw/zinc/22/69/81/337226981.db2.gz YBTBRMSSZQGJPE-QWHCGFSZSA-N -1 3 314.433 4.043 20 0 DIADHM CC1(C)CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000583029709 337231009 /nfs/dbraw/zinc/23/10/09/337231009.db2.gz BFQKDRYDKLKKMF-AWEZNQCLSA-N -1 3 313.800 4.117 20 0 DIADHM [O-]c1cccnc1CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000583110355 337238267 /nfs/dbraw/zinc/23/82/67/337238267.db2.gz AHYVTMWWKZGFIC-FQEVSTJZSA-N -1 3 316.404 4.087 20 0 DIADHM [O-]c1cccnc1CN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000583110356 337238272 /nfs/dbraw/zinc/23/82/72/337238272.db2.gz AHYVTMWWKZGFIC-HXUWFJFHSA-N -1 3 316.404 4.087 20 0 DIADHM Cc1cccc([C@H](NCc2cc([O-])cc(F)c2)c2ccccn2)c1 ZINC000185614569 337249581 /nfs/dbraw/zinc/24/95/81/337249581.db2.gz HILHSIRIKHYDCB-FQEVSTJZSA-N -1 3 322.383 4.114 20 0 DIADHM FC(F)c1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000185890184 337252322 /nfs/dbraw/zinc/25/23/22/337252322.db2.gz LOCNUYXGSSFOKO-UHFFFAOYSA-N -1 3 318.352 4.097 20 0 DIADHM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000190894059 337290415 /nfs/dbraw/zinc/29/04/15/337290415.db2.gz NPDPMAVBZWOQSR-UHFFFAOYSA-N -1 3 322.817 4.015 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCc3sccc32)c1[O-] ZINC000532916853 337304118 /nfs/dbraw/zinc/30/41/18/337304118.db2.gz BPYRTJPKKNKFND-GFCCVEGCSA-N -1 3 321.829 4.474 20 0 DIADHM CC(C)c1ccccc1N(C)C(=O)c1cc([O-])ccc1Cl ZINC000584486155 337349772 /nfs/dbraw/zinc/34/97/72/337349772.db2.gz RRWHSGIOWZUTST-UHFFFAOYSA-N -1 3 303.789 4.446 20 0 DIADHM Cc1cccc(-c2cncc(C(=O)Nc3cccc([O-])c3F)c2)c1 ZINC000128695122 337426406 /nfs/dbraw/zinc/42/64/06/337426406.db2.gz RHMACYXHLWKMQB-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1coc(C2CCCCC2)n1 ZINC000572255077 337600166 /nfs/dbraw/zinc/60/01/66/337600166.db2.gz AZGKKWHKBFYOLR-UHFFFAOYSA-N -1 3 320.776 4.334 20 0 DIADHM O=C([O-])c1cccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000263440528 337629297 /nfs/dbraw/zinc/62/92/97/337629297.db2.gz DKOOGBKJFAAOJI-QGZVFWFLSA-N -1 3 315.800 4.279 20 0 DIADHM CCOc1cc(-c2noc([C@@H](C)c3ccsc3)n2)ccc1[O-] ZINC000445425707 337726615 /nfs/dbraw/zinc/72/66/15/337726615.db2.gz FUPLKJJGLZFALS-JTQLQIEISA-N -1 3 316.382 4.054 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1sccc1OC(F)F ZINC000105362888 337807655 /nfs/dbraw/zinc/80/76/55/337807655.db2.gz VCPHLYRWNLFPRH-UHFFFAOYSA-N -1 3 315.366 4.324 20 0 DIADHM COc1ccc([C@@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533158639 337832112 /nfs/dbraw/zinc/83/21/12/337832112.db2.gz KCXCCUCLYCQKOM-NSHDSACASA-N -1 3 319.788 4.187 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2ccc(F)cc2Cl)c1[O-] ZINC000116979564 337845552 /nfs/dbraw/zinc/84/55/52/337845552.db2.gz RLNWGJGPHTUEOV-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1c([O-])cccc1Cl ZINC000514805636 337971939 /nfs/dbraw/zinc/97/19/39/337971939.db2.gz RIYXVJDXFLCXKX-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM CC(C)c1ccoc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000426191127 338022506 /nfs/dbraw/zinc/02/25/06/338022506.db2.gz JNGXTYWHBJZQLE-UHFFFAOYSA-N -1 3 310.313 4.103 20 0 DIADHM CC(C)c1ccoc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000426191127 338022507 /nfs/dbraw/zinc/02/25/07/338022507.db2.gz JNGXTYWHBJZQLE-UHFFFAOYSA-N -1 3 310.313 4.103 20 0 DIADHM C[C@@H](CCCCC(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000426652356 338037152 /nfs/dbraw/zinc/03/71/52/338037152.db2.gz SNYAVBKYYITSHQ-JTQLQIEISA-N -1 3 304.217 4.117 20 0 DIADHM Cc1ccc([C@@H](NCc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000426710346 338038790 /nfs/dbraw/zinc/03/87/90/338038790.db2.gz VUNSSUXFMDVXGL-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM Cc1nc(CNCC2CCC(C(C)(C)C)CC2)sc1C(=O)[O-] ZINC000426713153 338038911 /nfs/dbraw/zinc/03/89/11/338038911.db2.gz BVPUSDJHVYNHAE-UHFFFAOYSA-N -1 3 324.490 4.092 20 0 DIADHM CCSc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000426716916 338038939 /nfs/dbraw/zinc/03/89/39/338038939.db2.gz YQRZMBRFXKHKAQ-QGZVFWFLSA-N -1 3 315.438 4.023 20 0 DIADHM O=C([O-])[C@H](CC1CCCC1)NCc1cc(Cl)ccc1Cl ZINC000426718671 338039156 /nfs/dbraw/zinc/03/91/56/338039156.db2.gz XVJUBZMXLDQQIA-AWEZNQCLSA-N -1 3 316.228 4.117 20 0 DIADHM CC(C)Oc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1 ZINC000426735378 338039910 /nfs/dbraw/zinc/03/99/10/338039910.db2.gz FFVZUCQGTJSCCS-UHFFFAOYSA-N -1 3 305.761 4.085 20 0 DIADHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000426742061 338040224 /nfs/dbraw/zinc/04/02/24/338040224.db2.gz ILRDJELHBARFCR-BZNIZROVSA-N -1 3 321.779 4.031 20 0 DIADHM CC(C)c1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000426744798 338040320 /nfs/dbraw/zinc/04/03/20/338040320.db2.gz DQOXRXVLZQPEBQ-BEFAXECRSA-N -1 3 311.425 4.362 20 0 DIADHM CCCc1cccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000426753152 338040757 /nfs/dbraw/zinc/04/07/57/338040757.db2.gz CDDJTSLVYZBUMH-DNVCBOLYSA-N -1 3 311.425 4.191 20 0 DIADHM C[C@H](C(=O)[O-])[C@H](NCc1ccc2ccccc2c1)c1ccccc1 ZINC000426753929 338040820 /nfs/dbraw/zinc/04/08/20/338040820.db2.gz MCESOKWGIXQEOI-YWZLYKJASA-N -1 3 319.404 4.391 20 0 DIADHM Cc1nc(C(C)C)oc1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000428426423 338050910 /nfs/dbraw/zinc/05/09/10/338050910.db2.gz ZQTCTTWXRCDYTD-UHFFFAOYSA-N -1 3 314.719 4.290 20 0 DIADHM COc1ccc2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2c1 ZINC000431279908 338127230 /nfs/dbraw/zinc/12/72/30/338127230.db2.gz MOENSGWASMRDIL-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM CC(C)[C@@H](CNC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000431906322 338141481 /nfs/dbraw/zinc/14/14/81/338141481.db2.gz GFJAEAQDSWTDKY-MRXNPFEDSA-N -1 3 317.816 4.215 20 0 DIADHM CC(=O)c1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)cc1Cl ZINC000432510047 338158052 /nfs/dbraw/zinc/15/80/52/338158052.db2.gz BEPMGJTVSSAKBF-UHFFFAOYSA-N -1 3 312.756 4.167 20 0 DIADHM COC(=O)c1cnc(S[C@@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000432658239 338161782 /nfs/dbraw/zinc/16/17/82/338161782.db2.gz MYBMVUMTFOCKKX-NSHDSACASA-N -1 3 304.415 4.173 20 0 DIADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1F ZINC000432695867 338163389 /nfs/dbraw/zinc/16/33/89/338163389.db2.gz NWBZJLKFPMRMJN-ATVHPVEESA-N -1 3 320.367 4.001 20 0 DIADHM COc1ccsc1C=C(Cc1ccccc1)c1nccc(=O)[n-]1 ZINC000432709291 338163683 /nfs/dbraw/zinc/16/36/83/338163683.db2.gz JNADLHYYUYVIMB-WYMLVPIESA-N -1 3 324.405 4.036 20 0 DIADHM O=C(Nc1ccc(F)cc1NC1CC1)c1cc([O-])ccc1Cl ZINC000433370611 338193961 /nfs/dbraw/zinc/19/39/61/338193961.db2.gz IFRRQHGICPKKPI-UHFFFAOYSA-N -1 3 320.751 4.011 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2c[nH]c3cc(F)ccc23)c1[O-] ZINC000434521797 338219251 /nfs/dbraw/zinc/21/92/51/338219251.db2.gz HWBXVEBVMRIKNW-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cc(F)c(F)c(F)c2)CC)n1 ZINC000435341267 338237657 /nfs/dbraw/zinc/23/76/57/338237657.db2.gz VHLLWCAVACPBAO-IZZDOVSWSA-N -1 3 322.330 4.090 20 0 DIADHM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])[C@H]1c1ccccc1 ZINC000435761462 338248240 /nfs/dbraw/zinc/24/82/40/338248240.db2.gz MXOYICVDOAPBTQ-AMKSKSKJSA-N -1 3 301.773 4.034 20 0 DIADHM CCc1occc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000435811660 338250098 /nfs/dbraw/zinc/25/00/98/338250098.db2.gz WSCJFFFGGXYHCD-UHFFFAOYSA-N -1 3 321.376 4.391 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cnc4ccsc4c3)no2)c1 ZINC000435956049 338254162 /nfs/dbraw/zinc/25/41/62/338254162.db2.gz RUAACVPLPRHLSK-SNAWJCMRSA-N -1 3 321.361 4.222 20 0 DIADHM [O-]c1cccc(/C=C/c2nc([C@H]3CCc4ccccc43)no2)c1 ZINC000435957448 338254325 /nfs/dbraw/zinc/25/43/25/338254325.db2.gz VFNZQWUYFKHGLJ-YRYLYKBFSA-N -1 3 304.349 4.024 20 0 DIADHM CCc1nc2ccccc2c(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000436523020 338275037 /nfs/dbraw/zinc/27/50/37/338275037.db2.gz YNGVYJWTOUDRHY-UHFFFAOYSA-N -1 3 324.355 4.203 20 0 DIADHM CCC(C)(C)N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436526934 338275213 /nfs/dbraw/zinc/27/52/13/338275213.db2.gz HBTZWZAFXDZYDM-UHFFFAOYSA-N -1 3 313.397 4.445 20 0 DIADHM Cn1cc(/C=C/c2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436530376 338275418 /nfs/dbraw/zinc/27/54/18/338275418.db2.gz DSLDZROHRZTIOU-DHZHZOJOSA-N -1 3 317.348 4.104 20 0 DIADHM CCC[C@@H](C)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436533232 338275568 /nfs/dbraw/zinc/27/55/68/338275568.db2.gz XPYKWFRIBPQUSC-OAHLLOKOSA-N -1 3 311.425 4.244 20 0 DIADHM Cc1ccc(OCCCc2nc(-c3ccc([O-])cc3)no2)c(C)c1 ZINC000436533818 338275614 /nfs/dbraw/zinc/27/56/14/338275614.db2.gz NRJKQNZXEXIBCB-UHFFFAOYSA-N -1 3 324.380 4.071 20 0 DIADHM CSCc1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1F ZINC000436532455 338275620 /nfs/dbraw/zinc/27/56/20/338275620.db2.gz JVQYZNSZYMCBBG-UHFFFAOYSA-N -1 3 316.357 4.111 20 0 DIADHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436534875 338275678 /nfs/dbraw/zinc/27/56/78/338275678.db2.gz IUKBXAFDLWEPGJ-OAHLLOKOSA-N -1 3 311.425 4.021 20 0 DIADHM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436534873 338275750 /nfs/dbraw/zinc/27/57/50/338275750.db2.gz IUKBXAFDLWEPGJ-HNNXBMFYSA-N -1 3 311.425 4.021 20 0 DIADHM COc1ccc(N(CC(C)C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436537282 338275947 /nfs/dbraw/zinc/27/59/47/338275947.db2.gz DQGPSBVSGZRSNY-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CC(C)c1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)c([O-])c1 ZINC000436538685 338276041 /nfs/dbraw/zinc/27/60/41/338276041.db2.gz IVBOHDBHBIYJAK-ZDUSSCGKSA-N -1 3 313.397 4.474 20 0 DIADHM COc1cccc(N(CC(C)C)C(=O)c2cccc(C)c2[O-])c1 ZINC000436541856 338276165 /nfs/dbraw/zinc/27/61/65/338276165.db2.gz ZMUVRVCYKMZGJJ-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM COc1cccc(N(CC(C)C)C(=O)c2ccc(C)cc2[O-])c1 ZINC000436541634 338276183 /nfs/dbraw/zinc/27/61/83/338276183.db2.gz XBMZPHSZVMAZEW-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CC(C)c1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)c([O-])c1 ZINC000436538684 338276225 /nfs/dbraw/zinc/27/62/25/338276225.db2.gz IVBOHDBHBIYJAK-CYBMUJFWSA-N -1 3 313.397 4.474 20 0 DIADHM CC[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436543685 338276271 /nfs/dbraw/zinc/27/62/71/338276271.db2.gz IPQIKNXQOTWIRL-CQSZACIVSA-N -1 3 311.381 4.199 20 0 DIADHM Cc1ccc(C(=O)Nc2c(C)cccc2OC(F)F)c([O-])c1C ZINC000436547715 338276559 /nfs/dbraw/zinc/27/65/59/338276559.db2.gz YCTVNORDJZOWMK-UHFFFAOYSA-N -1 3 321.323 4.171 20 0 DIADHM Cc1cnc(-c2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2)o1 ZINC000436554950 338276873 /nfs/dbraw/zinc/27/68/73/338276873.db2.gz KWWQKBAXIVYLLG-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC(C)N(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436566352 338277387 /nfs/dbraw/zinc/27/73/87/338277387.db2.gz LMAASQOERXRDIX-UHFFFAOYSA-N -1 3 323.436 4.190 20 0 DIADHM C[C@@H]1C[C@H](C)N(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436567024 338277389 /nfs/dbraw/zinc/27/73/89/338277389.db2.gz WMNGDYCZNTVPLX-KGLIPLIRSA-N -1 3 311.381 4.055 20 0 DIADHM CC(C)N(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000436568695 338277473 /nfs/dbraw/zinc/27/74/73/338277473.db2.gz VRRPTXUYPUTQOS-UHFFFAOYSA-N -1 3 311.381 4.198 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)c([O-])c1C ZINC000436572177 338277733 /nfs/dbraw/zinc/27/77/33/338277733.db2.gz DJURWSCBODIGLM-WMZOPIPTSA-N -1 3 323.436 4.102 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)c([O-])c1C ZINC000436572172 338277838 /nfs/dbraw/zinc/27/78/38/338277838.db2.gz 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ZINC000436590910 338278944 /nfs/dbraw/zinc/27/89/44/338278944.db2.gz ORIPRKMLXXENED-QGZVFWFLSA-N -1 3 311.425 4.048 20 0 DIADHM CCCCn1ncc(NC(=O)c2cccc(C)c2[O-])c1C(C)C ZINC000436600097 338279234 /nfs/dbraw/zinc/27/92/34/338279234.db2.gz ZUEXIMMWYOYKSZ-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccccc3F)n2)c2ccccc12 ZINC000436604353 338279423 /nfs/dbraw/zinc/27/94/23/338279423.db2.gz AHQMEOVAGANMAC-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM CC(C)[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436606667 338279635 /nfs/dbraw/zinc/27/96/35/338279635.db2.gz DQWHUALOOLFUTC-DOTOQJQBSA-N -1 3 324.380 4.124 20 0 DIADHM [O-]c1ccc(-c2noc(-c3ncccc3Cl)n2)c2ccccc12 ZINC000436606672 338279661 /nfs/dbraw/zinc/27/96/61/338279661.db2.gz DRSBEWQRFZOZNA-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM CC(C)c1ccc(C(=O)N(CC(F)F)CC2CCC2)c([O-])c1 ZINC000436608018 338279752 /nfs/dbraw/zinc/27/97/52/338279752.db2.gz TYGYGUHMTRIUJX-UHFFFAOYSA-N -1 3 311.372 4.023 20 0 DIADHM [O-]c1ccc(-c2noc(C3CC(F)(F)C3)n2)c2ccccc12 ZINC000436610898 338279763 /nfs/dbraw/zinc/27/97/63/338279763.db2.gz KJXJPICFNHRHGT-UHFFFAOYSA-N -1 3 302.280 4.108 20 0 DIADHM CS[C@H](C)CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436608195 338279824 /nfs/dbraw/zinc/27/98/24/338279824.db2.gz GNFFZHVBZWZHLU-LLVKDONJSA-N -1 3 314.410 4.280 20 0 DIADHM CCCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436609854 338279847 /nfs/dbraw/zinc/27/98/47/338279847.db2.gz XMUAXFRRFHQFFC-UHFFFAOYSA-N -1 3 311.425 4.050 20 0 DIADHM CCc1cncc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436613387 338279986 /nfs/dbraw/zinc/27/99/86/338279986.db2.gz QLYAGASHSIHOIX-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CCCc1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)co1 ZINC000436613771 338280006 /nfs/dbraw/zinc/28/00/06/338280006.db2.gz SCVSAGXLEKEZHB-UHFFFAOYSA-N -1 3 321.336 4.203 20 0 DIADHM CC(C)n1cnc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436616981 338280160 /nfs/dbraw/zinc/28/01/60/338280160.db2.gz JCILQYIDKCUYSM-UHFFFAOYSA-N -1 3 320.352 4.040 20 0 DIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436666412 338282177 /nfs/dbraw/zinc/28/21/77/338282177.db2.gz TWHSKCJKURRLQF-UHFFFAOYSA-N -1 3 323.845 4.386 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1 ZINC000436675606 338282545 /nfs/dbraw/zinc/28/25/45/338282545.db2.gz LOCGTWOSTAURER-HXUWFJFHSA-N -1 3 313.441 4.478 20 0 DIADHM CC(C)[C@H]1CCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436690822 338283008 /nfs/dbraw/zinc/28/30/08/338283008.db2.gz RPCIAQJXDYXFSZ-LJQANCHMSA-N -1 3 323.436 4.048 20 0 DIADHM Cc1cccc(C2=CCN(C(=O)c3ccc(C)c(C)c3[O-])CC2)c1 ZINC000436706458 338283567 /nfs/dbraw/zinc/28/35/67/338283567.db2.gz PSDBFJGAUITCTH-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000436723828 338284348 /nfs/dbraw/zinc/28/43/48/338284348.db2.gz WHESYJZVPMAYBY-LBPRGKRZSA-N -1 3 315.800 4.411 20 0 DIADHM CN(C(=O)c1ccccc1[O-])C1c2ccccc2-c2ccccc21 ZINC000436727945 338284494 /nfs/dbraw/zinc/28/44/94/338284494.db2.gz FWVREVRWDKQCQE-UHFFFAOYSA-N -1 3 315.372 4.234 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436743639 338285165 /nfs/dbraw/zinc/28/51/65/338285165.db2.gz YATYHLCDLRLJFH-LXZKKBNFSA-N -1 3 301.430 4.166 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c([O-])c1C ZINC000436753853 338285506 /nfs/dbraw/zinc/28/55/06/338285506.db2.gz GOAFWTGQVPSUQP-QGZVFWFLSA-N -1 3 313.372 4.125 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000436753084 338285686 /nfs/dbraw/zinc/28/56/86/338285686.db2.gz CFPITFXUKYFDFV-CYBMUJFWSA-N -1 3 309.365 4.280 20 0 DIADHM Cc1cccc(CN(Cc2ccco2)C(=O)c2ccccc2[O-])c1 ZINC000436757341 338285739 /nfs/dbraw/zinc/28/57/39/338285739.db2.gz VJUNZXSUWZBXHH-UHFFFAOYSA-N -1 3 321.376 4.136 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(C)ccc1[O-] ZINC000436760889 338286146 /nfs/dbraw/zinc/28/61/46/338286146.db2.gz TYGXHBBBQLTELB-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM Cc1ccc(-c2cc(-c3nc(-c4ccc([O-])cc4)no3)on2)cc1 ZINC000436766045 338286382 /nfs/dbraw/zinc/28/63/82/338286382.db2.gz BYBDFYCXNBOJQU-UHFFFAOYSA-N -1 3 319.320 4.073 20 0 DIADHM CCn1cc(Cc2nc(-c3ccc([O-])cc3)no2)c2ccccc21 ZINC000436771322 338286689 /nfs/dbraw/zinc/28/66/89/338286689.db2.gz ZOIQEICEMOFPIY-UHFFFAOYSA-N -1 3 319.364 4.008 20 0 DIADHM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000436771275 338286793 /nfs/dbraw/zinc/28/67/93/338286793.db2.gz ZAKYZJXCOVLASE-SDJAHQOYSA-N -1 3 322.364 4.430 20 0 DIADHM Cc1ccc(CSCc2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436770409 338286839 /nfs/dbraw/zinc/28/68/39/338286839.db2.gz RBDIATLYZAXBHD-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM COc1cc(-c2noc(-c3oc4ccccc4c3C)n2)ccc1[O-] ZINC000436786970 338287291 /nfs/dbraw/zinc/28/72/91/338287291.db2.gz GEUUVAFTSAUKOE-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM Cc1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1[O-] ZINC000436805015 338287924 /nfs/dbraw/zinc/28/79/24/338287924.db2.gz 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/nfs/dbraw/zinc/28/95/66/338289566.db2.gz XJRWFSWZHKTCTE-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c([O-])c1C ZINC000436855241 338290017 /nfs/dbraw/zinc/29/00/17/338290017.db2.gz VEJSLTTVEFQKEW-QGZVFWFLSA-N -1 3 309.409 4.029 20 0 DIADHM CCc1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)c([O-])c1 ZINC000436856676 338290264 /nfs/dbraw/zinc/29/02/64/338290264.db2.gz MYWRVVXRZMMCMF-OAHLLOKOSA-N -1 3 306.365 4.083 20 0 DIADHM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cccc(OC)c1[O-] ZINC000436864288 338290391 /nfs/dbraw/zinc/29/03/91/338290391.db2.gz NGCKGDCPBOSYRH-INIZCTEOSA-N -1 3 313.397 4.014 20 0 DIADHM [O-]c1ccccc1-c1nc(Cc2cccc3ccccc32)no1 ZINC000436885299 338291752 /nfs/dbraw/zinc/29/17/52/338291752.db2.gz CBHZKTHOVYAKON-UHFFFAOYSA-N -1 3 302.333 4.186 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC000436892814 338292204 /nfs/dbraw/zinc/29/22/04/338292204.db2.gz LBPAFQBXFSEKGK-UHFFFAOYSA-N -1 3 322.242 4.008 20 0 DIADHM Cc1nc(-c2ccccc2NC(=O)c2cccc(C)c2[O-])cs1 ZINC000436902811 338292646 /nfs/dbraw/zinc/29/26/46/338292646.db2.gz RDYTVVSUXGHRFG-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2cc(Cl)ccc2F)c([O-])c1C ZINC000436899413 338292732 /nfs/dbraw/zinc/29/27/32/338292732.db2.gz DCJNRAWVHUUAPU-UHFFFAOYSA-N -1 3 321.779 4.074 20 0 DIADHM COCc1cccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436909720 338293130 /nfs/dbraw/zinc/29/31/30/338293130.db2.gz NFCRAJXJITWFJZ-UHFFFAOYSA-N -1 3 324.380 4.379 20 0 DIADHM CCSCc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436916679 338293187 /nfs/dbraw/zinc/29/31/87/338293187.db2.gz VEVMELBBLIRPDE-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM Cc1cc([O-])ccc1-c1nc(=O)c2c3ccccc3sc2[nH]1 ZINC000436920642 338293376 /nfs/dbraw/zinc/29/33/76/338293376.db2.gz HWGKLEGEUZILDO-UHFFFAOYSA-N -1 3 308.362 4.231 20 0 DIADHM Cc1[nH]c2ccccc2c1Cc1noc(-c2cc(C)ccc2[O-])n1 ZINC000436919871 338293544 /nfs/dbraw/zinc/29/35/44/338293544.db2.gz NBSFTMAUHTXTBZ-UHFFFAOYSA-N -1 3 319.364 4.131 20 0 DIADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)c1ccc(F)cc1 ZINC000436923344 338293556 /nfs/dbraw/zinc/29/35/56/338293556.db2.gz BTPZMKGUPQZAQP-CYBMUJFWSA-N -1 3 301.361 4.063 20 0 DIADHM Cc1ccc(CN(C(=O)c2ccc([O-])c(C)c2)C(C)C)s1 ZINC000436926297 338293857 /nfs/dbraw/zinc/29/38/57/338293857.db2.gz JKHQVMIVZOXPTF-UHFFFAOYSA-N -1 3 303.427 4.121 20 0 DIADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1ccccc1 ZINC000436927215 338293935 /nfs/dbraw/zinc/29/39/35/338293935.db2.gz NFUWHGAKHHHHKR-AWEZNQCLSA-N -1 3 313.397 4.101 20 0 DIADHM [O-]c1ccccc1-c1nc(Cc2cc(Cl)ccc2Cl)no1 ZINC000436933376 338294189 /nfs/dbraw/zinc/29/41/89/338294189.db2.gz SVJDVLNVGXXJDR-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1[O-] ZINC000436935735 338294440 /nfs/dbraw/zinc/29/44/40/338294440.db2.gz LJWHHRNEZRRXPR-SJCJKPOMSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000436935741 338294519 /nfs/dbraw/zinc/29/45/19/338294519.db2.gz 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/nfs/dbraw/zinc/29/75/35/338297535.db2.gz SKDWIMHHOCBOOK-JTQLQIEISA-N -1 3 321.808 4.082 20 0 DIADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccsc2Cl)s1 ZINC000438565457 338348256 /nfs/dbraw/zinc/34/82/56/338348256.db2.gz DCGUOTNMUZVZBA-ZETCQYMHSA-N -1 3 316.835 4.208 20 0 DIADHM CCO[C@H](C)c1ncc(C(=O)[N-]c2ccsc2Cl)s1 ZINC000438565456 338348338 /nfs/dbraw/zinc/34/83/38/338348338.db2.gz DCGUOTNMUZVZBA-SSDOTTSWSA-N -1 3 316.835 4.208 20 0 DIADHM CCc1ccc(-c2ccc(C(=O)Nc3ccccc3[O-])o2)cc1 ZINC000438893030 338354985 /nfs/dbraw/zinc/35/49/85/338354985.db2.gz HPPQDFCIXYHZSG-UHFFFAOYSA-N -1 3 307.349 4.467 20 0 DIADHM CN(CC1CCCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000439061379 338359898 /nfs/dbraw/zinc/35/98/98/338359898.db2.gz SUXUKEMDKOGYMA-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM CC1(C)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000440472450 338387925 /nfs/dbraw/zinc/38/79/25/338387925.db2.gz KSKVMDFJXVZNAQ-UHFFFAOYSA-N -1 3 323.436 4.050 20 0 DIADHM COc1ccc2occ(C(=O)[N-]c3c(F)cc(F)cc3F)c2c1 ZINC000441057503 338401540 /nfs/dbraw/zinc/40/15/40/338401540.db2.gz GMWFEPAPWGHRIA-UHFFFAOYSA-N -1 3 321.254 4.111 20 0 DIADHM O=C([N-]c1cc(Cl)cc(F)c1F)c1c(F)cccc1F ZINC000441599125 338417593 /nfs/dbraw/zinc/41/75/93/338417593.db2.gz NXUIKMDMXKJBMJ-UHFFFAOYSA-N -1 3 303.642 4.149 20 0 DIADHM C[C@@H]1CC[C@@H](C)N(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000450004691 338662912 /nfs/dbraw/zinc/66/29/12/338662912.db2.gz SBAZLVQDKGUJPF-HUUCEWRRSA-N -1 3 311.425 4.125 20 0 DIADHM CC[C@H](CC(F)(F)F)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000450942075 338713524 /nfs/dbraw/zinc/71/35/24/338713524.db2.gz UJKFLSJLDODAOA-GHMZBOCLSA-N -1 3 315.335 4.211 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N(C1CCC1)C1CCC1 ZINC000452377169 338764858 /nfs/dbraw/zinc/76/48/58/338764858.db2.gz ZQWXJHNOVHNBPU-UHFFFAOYSA-N -1 3 323.436 4.412 20 0 DIADHM O=C(CCc1ccc2ccccc2c1[O-])N[C@H](C1CC1)C1CCC1 ZINC000457231349 338956503 /nfs/dbraw/zinc/95/65/03/338956503.db2.gz DORFVSHNOPRHAC-FQEVSTJZSA-N -1 3 323.436 4.173 20 0 DIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000461108189 339059589 /nfs/dbraw/zinc/05/95/89/339059589.db2.gz PULYVALSOVNIEC-UHFFFAOYSA-N -1 3 321.417 4.232 20 0 DIADHM CC(C)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000463216198 339109818 /nfs/dbraw/zinc/10/98/18/339109818.db2.gz WZHOVHYPKVFQEK-UHFFFAOYSA-N -1 3 300.308 4.404 20 0 DIADHM O=C([N-]c1nnc(-c2ccccc2)s1)c1csc(Cl)c1 ZINC000467854908 339247793 /nfs/dbraw/zinc/24/77/93/339247793.db2.gz WPINSMQLFNVKSW-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM Cc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1 ZINC000468355775 339260482 /nfs/dbraw/zinc/26/04/82/339260482.db2.gz ISBWDPOABJYCMJ-UHFFFAOYSA-N -1 3 301.361 4.110 20 0 DIADHM CC(C)CCC[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468362822 339260626 /nfs/dbraw/zinc/26/06/26/339260626.db2.gz BYKWEBRTHHJBDI-CQSZACIVSA-N -1 3 309.425 4.185 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000468389730 339261396 /nfs/dbraw/zinc/26/13/96/339261396.db2.gz LEDYCDFDIVVTSL-RDJZCZTQSA-N 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/nfs/dbraw/zinc/27/93/83/339279383.db2.gz VJPCKRBNIHHIAE-WMLDXEAASA-N -1 3 321.436 4.281 20 0 DIADHM C[C@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)c2c([O-])cccc21 ZINC000469132516 339281064 /nfs/dbraw/zinc/28/10/64/339281064.db2.gz TVMLLZHOUHQNIL-KBXCAEBGSA-N -1 3 321.420 4.353 20 0 DIADHM Cc1cccc(C)c1CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469183648 339282413 /nfs/dbraw/zinc/28/24/13/339282413.db2.gz FSFKHWTURYSFGK-HNNXBMFYSA-N -1 3 309.409 4.092 20 0 DIADHM CC(C)C1(C)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469618483 339294783 /nfs/dbraw/zinc/29/47/83/339294783.db2.gz CCBXMFQHGUUSIL-UHFFFAOYSA-N -1 3 321.436 4.139 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc2ccoc2c1 ZINC000469675202 339295352 /nfs/dbraw/zinc/29/53/52/339295352.db2.gz YYFBOGRZHHUJNW-UHFFFAOYSA-N -1 3 313.328 4.239 20 0 DIADHM Cc1cc([C@@H](NCc2cc([O-])cc(F)c2)C2CC2)ccc1F ZINC000472075835 339362677 /nfs/dbraw/zinc/36/26/77/339362677.db2.gz ADOJBSIDTOQUIU-SFHVURJKSA-N -1 3 303.352 4.220 20 0 DIADHM CC[C@H](C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000472214652 339366171 /nfs/dbraw/zinc/36/61/71/339366171.db2.gz VDWKEEKXKDKHBR-ZANVPECISA-N -1 3 324.833 4.019 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)Cc1ccccc1C(F)(F)F ZINC000473144699 339382829 /nfs/dbraw/zinc/38/28/29/339382829.db2.gz ZEVSSLAHZWOWKE-UHFFFAOYSA-N -1 3 313.294 4.182 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)CC2(C(F)(F)F)CC2)c1[O-] ZINC000498336942 339383436 /nfs/dbraw/zinc/38/34/36/339383436.db2.gz SSRAGKVQNZNMOK-UHFFFAOYSA-N -1 3 307.699 4.025 20 0 DIADHM CCCOc1ccc(C(C)(C)NCc2cc([O-])cc(F)c2)cc1 ZINC000475672796 339458968 /nfs/dbraw/zinc/45/89/68/339458968.db2.gz UHFOKFIGAODISB-UHFFFAOYSA-N -1 3 317.404 4.345 20 0 DIADHM Cc1cccc([C@@H](C)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000476182198 339470783 /nfs/dbraw/zinc/47/07/83/339470783.db2.gz ZWQVLDVBKBSDLY-LLVKDONJSA-N -1 3 323.314 4.462 20 0 DIADHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000477713866 339499607 /nfs/dbraw/zinc/49/96/07/339499607.db2.gz 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/nfs/dbraw/zinc/71/21/53/339712153.db2.gz AXTSZOGEDOPUKT-UHFFFAOYSA-N -1 3 306.312 4.253 20 0 DIADHM CCc1cc(C(=O)Nc2cccc(COC(C)C)c2)ccc1[O-] ZINC000485926533 339716438 /nfs/dbraw/zinc/71/64/38/339716438.db2.gz QZUQCACHFBJYJN-UHFFFAOYSA-N -1 3 313.397 4.132 20 0 DIADHM Cc1ccc(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)c([O-])c1 ZINC000486375429 339726154 /nfs/dbraw/zinc/72/61/54/339726154.db2.gz DOLGHKNWJHXYIY-CYBMUJFWSA-N -1 3 308.381 4.314 20 0 DIADHM CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)s2)ccc1[O-] ZINC000486456018 339727598 /nfs/dbraw/zinc/72/75/98/339727598.db2.gz MLKMLUKQRNECOC-OAHLLOKOSA-N -1 3 315.438 4.302 20 0 DIADHM CCc1cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)ccc1[O-] ZINC000486537746 339728960 /nfs/dbraw/zinc/72/89/60/339728960.db2.gz KQEBQUHFROOYLZ-MRXNPFEDSA-N -1 3 315.800 4.195 20 0 DIADHM O=C(c1cc2cc(Cl)sc2[n-]1)N1CCc2c1cccc2F ZINC000487165937 339744896 /nfs/dbraw/zinc/74/48/96/339744896.db2.gz RHJRRYBCHWTHDL-UHFFFAOYSA-N -1 3 320.776 4.225 20 0 DIADHM CCc1cc(C(=O)N(C)c2ccc(F)c(Cl)c2)ccc1[O-] ZINC000487238031 339747168 /nfs/dbraw/zinc/74/71/68/339747168.db2.gz YOFSGSUQZVPMTI-UHFFFAOYSA-N -1 3 307.752 4.024 20 0 DIADHM Cc1sc2[nH]c(-c3cc([O-])cc(Cl)c3)nc(=O)c2c1C ZINC000487497742 339755150 /nfs/dbraw/zinc/75/51/50/339755150.db2.gz CGLYXSJDUGZUNR-UHFFFAOYSA-N -1 3 306.774 4.040 20 0 DIADHM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc([O-])cc1F ZINC000498552289 339796067 /nfs/dbraw/zinc/79/60/67/339796067.db2.gz SMMRCGZCXBIIQB-INIZCTEOSA-N -1 3 315.388 4.375 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H](c1ccccc1)C1CC1 ZINC000498631712 340021282 /nfs/dbraw/zinc/02/12/82/340021282.db2.gz OJZOVFQPHFRHFJ-MRXNPFEDSA-N -1 3 301.773 4.178 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cl)c(F)c1 ZINC000498644035 340021364 /nfs/dbraw/zinc/02/13/64/340021364.db2.gz NMPACOIVMCRBPB-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1[O-] ZINC000499531130 340038887 /nfs/dbraw/zinc/03/88/87/340038887.db2.gz DNYYOMPOQQFPFX-KRWDZBQOSA-N -1 3 315.800 4.235 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cn2)ccc1[O-] ZINC000499948949 340047425 /nfs/dbraw/zinc/04/74/25/340047425.db2.gz WRUMCVGKUHKQFL-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc3ccccc3c2)c1 ZINC000500427085 340058175 /nfs/dbraw/zinc/05/81/75/340058175.db2.gz XIHUBYJSQVLYGY-UHFFFAOYSA-N -1 3 319.404 4.380 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)CCc2cccs2)c([O-])c1 ZINC000501944327 340091073 /nfs/dbraw/zinc/09/10/73/340091073.db2.gz FPOILHBGUAWTMU-UHFFFAOYSA-N -1 3 303.427 4.323 20 0 DIADHM Cc1sccc1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501944065 340091124 /nfs/dbraw/zinc/09/11/24/340091124.db2.gz FIOQAUURJOKIOM-UHFFFAOYSA-N -1 3 303.427 4.241 20 0 DIADHM CC(C)(C)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])no1 ZINC000501953839 340091375 /nfs/dbraw/zinc/09/13/75/340091375.db2.gz XVTXYGGNLKMQDK-UHFFFAOYSA-N -1 3 316.401 4.228 20 0 DIADHM CCO[C@@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC000501975315 340091811 /nfs/dbraw/zinc/09/18/11/340091811.db2.gz JXXHLFFANPJFQF-INIZCTEOSA-N -1 3 307.434 4.079 20 0 DIADHM CCO[C@H](CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(C)C ZINC000501975316 340091862 /nfs/dbraw/zinc/09/18/62/340091862.db2.gz JXXHLFFANPJFQF-MRXNPFEDSA-N -1 3 307.434 4.079 20 0 DIADHM CC[C@H](CC(=O)N1CCCc2cccc([O-])c21)c1ccccc1 ZINC000501990099 340092222 /nfs/dbraw/zinc/09/22/22/340092222.db2.gz KQIKGLSBPRYPBX-OAHLLOKOSA-N -1 3 309.409 4.255 20 0 DIADHM Cc1ccccc1-c1csc([N-]c2ncnc3ccncc32)n1 ZINC000502686657 340110492 /nfs/dbraw/zinc/11/04/92/340110492.db2.gz VVOHVPPBUSGOOZ-UHFFFAOYSA-N -1 3 319.393 4.200 20 0 DIADHM Cc1cc2sc([N-]C(=O)c3cc(C(C)C)no3)nc2c(C)c1 ZINC000504549792 340149170 /nfs/dbraw/zinc/14/91/70/340149170.db2.gz WUMUTTGEOCKOIP-UHFFFAOYSA-N -1 3 315.398 4.277 20 0 DIADHM Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506242684 340189720 /nfs/dbraw/zinc/18/97/20/340189720.db2.gz FZMYJLKTXIQTJV-UHFFFAOYSA-N -1 3 315.417 4.097 20 0 DIADHM COc1ccc(F)cc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506243970 340189870 /nfs/dbraw/zinc/18/98/70/340189870.db2.gz QTOCZYFZIDZFKX-UHFFFAOYSA-N -1 3 317.360 4.090 20 0 DIADHM O=S(=O)([N-]c1ccccc1Cl)c1csc2ccccc21 ZINC000506595176 340197329 /nfs/dbraw/zinc/19/73/29/340197329.db2.gz PBGYNGGMEIJCTA-UHFFFAOYSA-N -1 3 323.826 4.356 20 0 DIADHM CCOc1ccc(CN(C)Cc2cccc([O-])c2Cl)cc1 ZINC000506933823 340203953 /nfs/dbraw/zinc/20/39/53/340203953.db2.gz XGTUCIBOJQJONM-UHFFFAOYSA-N -1 3 305.805 4.076 20 0 DIADHM COc1ccc([C@H](C)N(C)Cc2cccc([O-])c2Cl)cc1 ZINC000507104820 340207625 /nfs/dbraw/zinc/20/76/25/340207625.db2.gz SRYNEKJTYAEGGF-LBPRGKRZSA-N -1 3 305.805 4.247 20 0 DIADHM COCCN(Cc1cccc([O-])c1Cl)[C@@H](C)c1ccccc1 ZINC000507392862 340218488 /nfs/dbraw/zinc/21/84/88/340218488.db2.gz QXCFNNYIYAMUEC-AWEZNQCLSA-N -1 3 319.832 4.255 20 0 DIADHM COc1ccc([C@H]2CCN(Cc3cccc([O-])c3Cl)C2)cc1 ZINC000507998270 340236988 /nfs/dbraw/zinc/23/69/88/340236988.db2.gz LEFKHZDUNOVAFN-AWEZNQCLSA-N -1 3 317.816 4.044 20 0 DIADHM [O-]c1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1Cl ZINC000508251836 340241478 /nfs/dbraw/zinc/24/14/78/340241478.db2.gz YDPOLLCYUKLICN-ZDUSSCGKSA-N -1 3 305.780 4.174 20 0 DIADHM COc1ccccc1[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000508707701 340251145 /nfs/dbraw/zinc/25/11/45/340251145.db2.gz VRJBRDYNQRUOLW-ZDUSSCGKSA-N -1 3 317.816 4.044 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000508800882 340253354 /nfs/dbraw/zinc/25/33/54/340253354.db2.gz LNGRFAGWYUVEET-VNHYZAJKSA-N -1 3 321.848 4.063 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000508800881 340253425 /nfs/dbraw/zinc/25/34/25/340253425.db2.gz LNGRFAGWYUVEET-UMVBOHGHSA-N -1 3 321.848 4.063 20 0 DIADHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000508821690 340253621 /nfs/dbraw/zinc/25/36/21/340253621.db2.gz YYGSEGGVYUOJGH-GOSISDBHSA-N -1 3 309.409 4.020 20 0 DIADHM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cccc([O-])c1 ZINC000508835998 340254022 /nfs/dbraw/zinc/25/40/22/340254022.db2.gz OGEHNRABNIEYGA-JTQLQIEISA-N -1 3 324.207 4.060 20 0 DIADHM O=C(NCC1(c2cccs2)CCCCC1)c1cccc([O-])c1 ZINC000508922662 340255802 /nfs/dbraw/zinc/25/58/02/340255802.db2.gz MPZOIXMAHZHKDL-UHFFFAOYSA-N -1 3 315.438 4.086 20 0 DIADHM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000509058796 340259965 /nfs/dbraw/zinc/25/99/65/340259965.db2.gz VRDSPDGACYMPIK-RTBURBONSA-N -1 3 309.409 4.191 20 0 DIADHM CC[C@H](C)Oc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509192152 340263531 /nfs/dbraw/zinc/26/35/31/340263531.db2.gz AENHOFJJDHIRCQ-NSHDSACASA-N -1 3 307.340 4.460 20 0 DIADHM COc1cc(Cl)c(C)cc1NCc1c(F)ccc([O-])c1F ZINC000509198228 340263679 /nfs/dbraw/zinc/26/36/79/340263679.db2.gz SNGMWYXLBGXDFK-UHFFFAOYSA-N -1 3 313.731 4.253 20 0 DIADHM CC1(c2ccccc2)CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000509256328 340264640 /nfs/dbraw/zinc/26/46/40/340264640.db2.gz ITICQXXCIICFBP-UHFFFAOYSA-N -1 3 309.409 4.023 20 0 DIADHM CC[C@H](C)[C@H](C)N(C(=O)Cc1ccc([O-])cc1Cl)C1CC1 ZINC000509292081 340265526 /nfs/dbraw/zinc/26/55/26/340265526.db2.gz YNDVASLCFSUMQW-RYUDHWBXSA-N -1 3 309.837 4.014 20 0 DIADHM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cccc([O-])c1 ZINC000509337388 340266548 /nfs/dbraw/zinc/26/65/48/340266548.db2.gz KKDMRAARGMOIEN-UHFFFAOYSA-N -1 3 317.388 4.331 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000303532820 340331377 /nfs/dbraw/zinc/33/13/77/340331377.db2.gz FDHYZJNYVZWEAG-VXGBXAGGSA-N -1 3 323.726 4.066 20 0 DIADHM Cc1ccc(NC(=O)c2ccccc2Oc2ccncc2)c([O-])c1 ZINC000512910805 340383691 /nfs/dbraw/zinc/38/36/91/340383691.db2.gz YAXDUBSJXKJTGB-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM [O-]c1ccc(F)c(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)c1F ZINC000513386641 340405187 /nfs/dbraw/zinc/40/51/87/340405187.db2.gz OFTPIWYKCAXPFZ-JSGCOSHPSA-N -1 3 321.342 4.235 20 0 DIADHM CC(C)Cn1cc(C(=O)Nc2ccccc2[O-])c2ccccc21 ZINC000516768008 340455390 /nfs/dbraw/zinc/45/53/90/340455390.db2.gz MXUTUHLRONYDRV-UHFFFAOYSA-N -1 3 308.381 4.255 20 0 DIADHM Cc1c2ccccc2oc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182951055 340485999 /nfs/dbraw/zinc/48/59/99/340485999.db2.gz IOJZLBPTWNJASU-UHFFFAOYSA-N -1 3 307.349 4.040 20 0 DIADHM COc1ccc2cccc(CC(=O)Nc3c(C)cccc3[O-])c2c1 ZINC000183024960 340486197 /nfs/dbraw/zinc/48/61/97/340486197.db2.gz FWVYEAHGLJZPKN-UHFFFAOYSA-N -1 3 321.376 4.044 20 0 DIADHM O=C(Cc1cc(Cl)ccc1Cl)Nc1ccc([O-])cc1F ZINC000183238712 340487097 /nfs/dbraw/zinc/48/70/97/340487097.db2.gz BMUJCHCROIXBHL-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)C(c1ccccc1)c1ccccc1 ZINC000183274240 340487288 /nfs/dbraw/zinc/48/72/88/340487288.db2.gz IOEQRFDVIXJBQC-UHFFFAOYSA-N -1 3 321.351 4.302 20 0 DIADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)cc1C(F)(F)F ZINC000184846444 340496068 /nfs/dbraw/zinc/49/60/68/340496068.db2.gz XHUPFVJZSNTUGU-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM CC(C)[C@@H](NCc1cc([O-])cc(F)c1)c1ccc(F)cc1F ZINC000185574183 340503039 /nfs/dbraw/zinc/50/30/39/340503039.db2.gz RAGHABXIAHYYBW-QGZVFWFLSA-N -1 3 309.331 4.296 20 0 DIADHM [O-]c1cc(F)cc(CNc2cccc(OCC(F)(F)F)c2)c1 ZINC000185588295 340503302 /nfs/dbraw/zinc/50/33/02/340503302.db2.gz NSEPFKMGPUCAGU-UHFFFAOYSA-N -1 3 315.266 4.085 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)c2c([O-])cccc21 ZINC000186263841 340510195 /nfs/dbraw/zinc/51/01/95/340510195.db2.gz OQLRADFZIYBQTK-LLVKDONJSA-N -1 3 301.773 4.200 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)c2c([O-])cccc21 ZINC000186284828 340510399 /nfs/dbraw/zinc/51/03/99/340510399.db2.gz DCFHDWNNUMOLJB-SNVBAGLBSA-N -1 3 319.763 4.339 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc3ncccc3c2)c2c([O-])cccc21 ZINC000186283680 340510479 /nfs/dbraw/zinc/51/04/79/340510479.db2.gz AGBFLAAHACSECA-ZDUSSCGKSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2Cl)ccc1[O-] ZINC000227017365 340594155 /nfs/dbraw/zinc/59/41/55/340594155.db2.gz DSRIKEUGPJVNHT-GFCCVEGCSA-N -1 3 303.789 4.187 20 0 DIADHM CC(C)(C)c1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000232513968 340633091 /nfs/dbraw/zinc/63/30/91/340633091.db2.gz HPODUCBFKJNQPB-UHFFFAOYSA-N -1 3 310.806 4.052 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)s1 ZINC000235207213 340657635 /nfs/dbraw/zinc/65/76/35/340657635.db2.gz ZXOMMOWRKBXSHN-SSDOTTSWSA-N -1 3 316.209 4.252 20 0 DIADHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)s1 ZINC000235505891 340660237 /nfs/dbraw/zinc/66/02/37/340660237.db2.gz ZXOMMOWRKBXSHN-ZETCQYMHSA-N -1 3 316.209 4.252 20 0 DIADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccccc1Cl ZINC000125338755 340803744 /nfs/dbraw/zinc/80/37/44/340803744.db2.gz FLSYJHBRDYLUIP-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1[O-] ZINC000538746401 340846792 /nfs/dbraw/zinc/84/67/92/340846792.db2.gz URMPYWZVKCZXRX-CYBMUJFWSA-N -1 3 313.422 4.232 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000128673038 340905575 /nfs/dbraw/zinc/90/55/75/340905575.db2.gz PWBHTMWPUQASSS-IUCAKERBSA-N -1 3 323.726 4.066 20 0 DIADHM C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129618172 340976548 /nfs/dbraw/zinc/97/65/48/340976548.db2.gz OUEUVHOKIQEWKW-LBPRGKRZSA-N -1 3 319.401 4.039 20 0 DIADHM O=C([O-])CCCCN(Cc1ccccc1)Cc1ccccc1F ZINC000543126820 341033082 /nfs/dbraw/zinc/03/30/82/341033082.db2.gz VWWYKGHWRXZJSM-UHFFFAOYSA-N -1 3 315.388 4.083 20 0 DIADHM CCc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1[O-] ZINC000544170849 341072853 /nfs/dbraw/zinc/07/28/53/341072853.db2.gz YBDYGACQJRPMAC-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2nccc3sccc32)on1 ZINC000544377117 341079123 /nfs/dbraw/zinc/07/91/23/341079123.db2.gz LUAFGAAHHSSUJO-UHFFFAOYSA-N -1 3 315.398 4.440 20 0 DIADHM CCC(C)(C)OCc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000544575482 341086695 /nfs/dbraw/zinc/08/66/95/341086695.db2.gz KJRYXBDVPKCIBD-UHFFFAOYSA-N -1 3 313.397 4.350 20 0 DIADHM CCc1cccc(-c2nc(Cc3cccc(Cl)c3)no2)c1[O-] ZINC000544931738 341099967 /nfs/dbraw/zinc/09/99/67/341099967.db2.gz QXTRSYHTQANZKM-UHFFFAOYSA-N -1 3 314.772 4.249 20 0 DIADHM CCOc1ccccc1-c1noc(-c2cccc(CC)c2[O-])n1 ZINC000545578256 341131308 /nfs/dbraw/zinc/13/13/08/341131308.db2.gz PNDXNHNDCJVFHI-UHFFFAOYSA-N -1 3 310.353 4.070 20 0 DIADHM CCc1cccc(-c2nc(-c3cnc4ccsc4c3)no2)c1[O-] ZINC000546428409 341167948 /nfs/dbraw/zinc/16/79/48/341167948.db2.gz DNBDPZPOZWVGBV-UHFFFAOYSA-N -1 3 323.377 4.281 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2c(F)cc(F)cc2F)c1[O-] ZINC000133501483 341176919 /nfs/dbraw/zinc/17/69/19/341176919.db2.gz BZFBAOCMKOFDDR-UHFFFAOYSA-N -1 3 315.678 4.024 20 0 DIADHM C[C@@H]1CCCC[C@H]1OCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000548029640 341243690 /nfs/dbraw/zinc/24/36/90/341243690.db2.gz GNAUKWSMKYUDRQ-DEHGMPOZSA-N -1 3 314.385 4.041 20 0 DIADHM CCc1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1[O-] ZINC000548604481 341266842 /nfs/dbraw/zinc/26/68/42/341266842.db2.gz AKYWVBFFHJILEU-UHFFFAOYSA-N -1 3 315.438 4.036 20 0 DIADHM CCOc1cc(CN2CCc3ccccc3C2)cc(Cl)c1[O-] ZINC000550957134 341327834 /nfs/dbraw/zinc/32/78/34/341327834.db2.gz JCCHXZGDHDCUEH-UHFFFAOYSA-N -1 3 317.816 4.003 20 0 DIADHM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc([O-])ccc1Cl ZINC000551033880 341329824 /nfs/dbraw/zinc/32/98/24/341329824.db2.gz GAUCQYRDCGCMMC-UHFFFAOYSA-N -1 3 322.191 4.118 20 0 DIADHM CCOc1cc(CN(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000551330158 341338847 /nfs/dbraw/zinc/33/88/47/341338847.db2.gz ZENDWUQEYMWJRS-UHFFFAOYSA-N -1 3 305.805 4.076 20 0 DIADHM O=C(Nc1cc(F)cc(F)c1)c1cc2cc(Cl)sc2[n-]1 ZINC000564388058 341366190 /nfs/dbraw/zinc/36/61/90/341366190.db2.gz SHJODCMRPZWDES-UHFFFAOYSA-N -1 3 312.728 4.413 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H](C)c2cc3ccccc3o2)c1[O-] ZINC000552069503 341367225 /nfs/dbraw/zinc/36/72/25/341367225.db2.gz XBDYHMUOFJKPFC-NSHDSACASA-N -1 3 323.348 4.083 20 0 DIADHM Cc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2Cl)s1 ZINC000552432348 341393359 /nfs/dbraw/zinc/39/33/59/341393359.db2.gz DDKFAYBZNXVLIK-UHFFFAOYSA-N -1 3 323.801 4.017 20 0 DIADHM O=C(CC/C=C\c1ccccc1)Nc1c([O-])cccc1Cl ZINC000552434306 341393534 /nfs/dbraw/zinc/39/35/34/341393534.db2.gz IVOCZRJPOJGMDI-WTKPLQERSA-N -1 3 301.773 4.478 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cl)cc1F ZINC000552434123 341393616 /nfs/dbraw/zinc/39/36/16/341393616.db2.gz CFIICHOBASXKHD-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@H](CCc1ccccc1F)C(=O)Nc1c([O-])cccc1Cl ZINC000552433659 341393621 /nfs/dbraw/zinc/39/36/21/341393621.db2.gz VKXWMCYOBNSCLC-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000552438218 341393750 /nfs/dbraw/zinc/39/37/50/341393750.db2.gz OIAZVDHBXIHDDG-MRXNPFEDSA-N -1 3 315.800 4.195 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(-n2cccc2)c1 ZINC000552436766 341393863 /nfs/dbraw/zinc/39/38/63/341393863.db2.gz WJDRHGFNVSVFSO-UHFFFAOYSA-N -1 3 312.756 4.089 20 0 DIADHM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000552592810 341399998 /nfs/dbraw/zinc/39/99/98/341399998.db2.gz WRAPNHQMGIQLSC-UHFFFAOYSA-N -1 3 316.401 4.362 20 0 DIADHM CCn1c(C(=O)Nc2c([O-])cccc2Cl)cc2ccccc21 ZINC000552779824 341404189 /nfs/dbraw/zinc/40/41/89/341404189.db2.gz HYZAPLHOZRJBNF-UHFFFAOYSA-N -1 3 314.772 4.273 20 0 DIADHM Cc1csc(C(=O)[N-]c2cc(F)cc(F)c2F)c1Cl ZINC000554362625 341451240 /nfs/dbraw/zinc/45/12/40/341451240.db2.gz SGGUDBZLQJAPRR-UHFFFAOYSA-N -1 3 305.708 4.380 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(C)c1 ZINC000554683943 341461134 /nfs/dbraw/zinc/46/11/34/341461134.db2.gz OAQNFICTZDDDJK-UHFFFAOYSA-N -1 3 311.353 4.042 20 0 DIADHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])ccc1Cl ZINC000556189860 341496678 /nfs/dbraw/zinc/49/66/78/341496678.db2.gz MFXSDUOAHWMYOX-GXTWGEPZSA-N -1 3 315.800 4.064 20 0 DIADHM CCCCOc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000565333691 341524123 /nfs/dbraw/zinc/52/41/23/341524123.db2.gz ZIIKMBCXUTZPBZ-UHFFFAOYSA-N -1 3 319.788 4.477 20 0 DIADHM C[C@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000566358919 341555219 /nfs/dbraw/zinc/55/52/19/341555219.db2.gz OIKDPTCKWNJCHN-DCGLDWPTSA-N -1 3 317.816 4.128 20 0 DIADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)c1c[nH]c2ccccc21 ZINC000566832939 341569468 /nfs/dbraw/zinc/56/94/68/341569468.db2.gz VBHXVBNPLKDVEU-NSHDSACASA-N -1 3 312.344 4.145 20 0 DIADHM O=C(Nc1nc2c(s1)CCC2)c1cc2cc(Cl)sc2[n-]1 ZINC000567008921 341574123 /nfs/dbraw/zinc/57/41/23/341574123.db2.gz NZGHAWHMUFJYMH-UHFFFAOYSA-N -1 3 323.830 4.080 20 0 DIADHM Cc1sc(CC(=O)Nc2ccc(Cl)cc2[O-])nc1C(C)C ZINC000567117176 341581131 /nfs/dbraw/zinc/58/11/31/341581131.db2.gz BCLWUPGSHXIZAO-UHFFFAOYSA-N -1 3 324.833 4.115 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCc2sccc21 ZINC000154575436 341591627 /nfs/dbraw/zinc/59/16/27/341591627.db2.gz SSNMHQDDTDUVGJ-NSHDSACASA-N -1 3 307.802 4.166 20 0 DIADHM O=C([N-]c1nccc2sccc21)c1cc(-c2ccccc2)no1 ZINC000156149792 341617493 /nfs/dbraw/zinc/61/74/93/341617493.db2.gz CHADGZPTSBTRMZ-UHFFFAOYSA-N -1 3 321.361 4.204 20 0 DIADHM Cc1ccc([O-])c(CNc2cc(Cl)ccc2OC(C)C)n1 ZINC000568817613 341682481 /nfs/dbraw/zinc/68/24/81/341682481.db2.gz ZOPWKHRIOPEAIF-UHFFFAOYSA-N -1 3 306.793 4.148 20 0 DIADHM O=C(NCc1csc2ccccc12)c1cc([O-])ccc1Cl ZINC000569055360 341689509 /nfs/dbraw/zinc/68/95/09/341689509.db2.gz IIMYWZDYBZNTCG-UHFFFAOYSA-N -1 3 317.797 4.190 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(CCCC2)CC1 ZINC000572654375 341699186 /nfs/dbraw/zinc/69/91/86/341699186.db2.gz BJYMRKLEKQBUMV-UHFFFAOYSA-N -1 3 309.409 4.342 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1cc(F)c(F)cc1Cl ZINC000575013631 341701208 /nfs/dbraw/zinc/70/12/08/341701208.db2.gz XDQARHMTLNUFTB-UHFFFAOYSA-N -1 3 321.632 4.288 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)sc1Cl ZINC000174897144 341832889 /nfs/dbraw/zinc/83/28/89/341832889.db2.gz ZWYAMHMPKNGQBU-UHFFFAOYSA-N -1 3 306.145 4.152 20 0 DIADHM CCC(CC)n1nc(C(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000576647431 341856901 /nfs/dbraw/zinc/85/69/01/341856901.db2.gz DMWJPTNVGWJTNI-UHFFFAOYSA-N -1 3 321.808 4.164 20 0 DIADHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(C(F)F)cc1 ZINC000577139306 341889766 /nfs/dbraw/zinc/88/97/66/341889766.db2.gz QNAUIQBKBZTPFP-UHFFFAOYSA-N -1 3 317.744 4.078 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000530713187 518188731 /nfs/dbraw/zinc/18/87/31/518188731.db2.gz WIZGYLZYZFCLPM-UHFFFAOYSA-N -1 3 309.818 4.377 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000180779197 524703073 /nfs/dbraw/zinc/70/30/73/524703073.db2.gz NCYVLPLGMNWRJA-UHFFFAOYSA-N -1 3 315.335 4.398 20 0 DIADHM Cc1conc1[N-]C(=O)c1occc1CSc1ccccc1 ZINC000154579946 526297984 /nfs/dbraw/zinc/29/79/84/526297984.db2.gz AHBVTXYCSPPAEY-UHFFFAOYSA-N -1 3 314.366 4.121 20 0 DIADHM Cc1noc(C(C)C)c1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000267248363 526465029 /nfs/dbraw/zinc/46/50/29/526465029.db2.gz UCEUMGLFZPCPKG-UHFFFAOYSA-N -1 3 308.765 4.026 20 0 DIADHM O=C(NCCC1=CCCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000188812541 527626059 /nfs/dbraw/zinc/62/60/59/527626059.db2.gz LOEKJKJMUNHQTQ-UHFFFAOYSA-N -1 3 313.319 4.031 20 0 DIADHM CC(C)(C)CC(C)(C)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001158188760 1047770457 /nfs/dbraw/zinc/77/04/57/1047770457.db2.gz KKEOMHUIWNMVJW-UHFFFAOYSA-N -1 3 323.840 4.272 20 0 DIADHM [O-]c1cccc(Nc2cc(Cl)ccc2O)c1Br ZINC001216401758 1051747049 /nfs/dbraw/zinc/74/70/49/1051747049.db2.gz MMBXIIIKWDQRED-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM O=C(NCCCc1ccc(Cl)cc1)c1cc([O-])ccc1Cl ZINC000579770345 1035578220 /nfs/dbraw/zinc/57/82/20/1035578220.db2.gz JXSCJUOCSYCOHG-UHFFFAOYSA-N -1 3 324.207 4.062 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)ccc1F ZINC000153617121 1035754613 /nfs/dbraw/zinc/75/46/13/1035754613.db2.gz AIKVDHYYBWKXOY-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CO[C@H](C)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000339760658 1035956602 /nfs/dbraw/zinc/95/66/02/1035956602.db2.gz KVVBYZQOHRWYIO-SNVBAGLBSA-N -1 3 305.761 4.005 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OC1CCC1 ZINC000261435414 1036026541 /nfs/dbraw/zinc/02/65/41/1036026541.db2.gz LGYVYHMKYUONIY-UHFFFAOYSA-N -1 3 317.772 4.229 20 0 DIADHM O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1[O-] ZINC000153656565 1036192584 /nfs/dbraw/zinc/19/25/84/1036192584.db2.gz MRPVDDXEXTYARM-UHFFFAOYSA-N -1 3 314.772 4.098 20 0 DIADHM CO[C@H](C)c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001209947576 1036310691 /nfs/dbraw/zinc/31/06/91/1036310691.db2.gz XWCQAVGCRUKPMW-SECBINFHSA-N -1 3 323.190 4.001 20 0 DIADHM CC(=O)c1cccc(Nc2ccc([O-])c(C(F)(F)F)c2)c1O ZINC001209985521 1036337729 /nfs/dbraw/zinc/33/77/29/1036337729.db2.gz BRLUWXINZTXCLS-UHFFFAOYSA-N -1 3 311.259 4.063 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(C)c2OC)c1 ZINC001167278203 1036361392 /nfs/dbraw/zinc/36/13/92/1036361392.db2.gz LHABXIGPDRDGJP-UHFFFAOYSA-N -1 3 319.788 4.177 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ncc(Br)cc1F ZINC001210215259 1036531635 /nfs/dbraw/zinc/53/16/35/1036531635.db2.gz BIBOZIJOIQDOGE-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1nc(Br)ccc1Nc1cccc(Cl)c1[O-] ZINC001210215782 1036531965 /nfs/dbraw/zinc/53/19/65/1036531965.db2.gz NDIVKDDSPRGMRO-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(Br)ncc1F ZINC001210218218 1036537980 /nfs/dbraw/zinc/53/79/80/1036537980.db2.gz GJPMLYPSOJNEEO-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM CO[C@H]1CCOc2c(Nc3cccc(Cl)c3[O-])cccc21 ZINC001210223579 1036545541 /nfs/dbraw/zinc/54/55/41/1036545541.db2.gz SYNXXJAQQMHPLQ-AWEZNQCLSA-N -1 3 305.761 4.259 20 0 DIADHM Cc1cc(SCc2cc(=O)[n-]c(C3CC3)n2)c2ccccc2n1 ZINC000642776304 1036928728 /nfs/dbraw/zinc/92/87/28/1036928728.db2.gz WRTSJNHDCRHKIN-UHFFFAOYSA-N -1 3 323.421 4.209 20 0 DIADHM COc1c(F)c(F)c(Nc2ccc([O-])c(Cl)c2)c(F)c1F ZINC001210763565 1036938661 /nfs/dbraw/zinc/93/86/61/1036938661.db2.gz GRSKELZBWQINKS-UHFFFAOYSA-N -1 3 321.657 4.354 20 0 DIADHM Cc1cnc(Br)c(Nc2cccc([O-])c2Cl)c1 ZINC001210852271 1037013173 /nfs/dbraw/zinc/01/31/73/1037013173.db2.gz ZISRPRLZNPWHDF-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1cccc(Nc2ccc3ncnc(Cl)c3c2)c1Cl ZINC001210859706 1037020538 /nfs/dbraw/zinc/02/05/38/1037020538.db2.gz KXWCIFFJLWPWLI-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc3cnccc3c2)CC)n1 ZINC000684032928 1037260088 /nfs/dbraw/zinc/26/00/88/1037260088.db2.gz GNJVKQHKIYAWKE-XNTDXEJSSA-N -1 3 319.408 4.221 20 0 DIADHM Cc1[nH]c2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2c1C ZINC000581122661 1037442624 /nfs/dbraw/zinc/44/26/24/1037442624.db2.gz DHXGPBRJWHJWDZ-UHFFFAOYSA-N -1 3 314.772 4.396 20 0 DIADHM O=C(CCc1ccc2ccccc2c1)Nc1cccc([O-])c1F ZINC000128302855 1037450086 /nfs/dbraw/zinc/45/00/86/1037450086.db2.gz IEODSHRHEBTSJG-UHFFFAOYSA-N -1 3 309.340 4.256 20 0 DIADHM Cc1csc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1Cl ZINC000276900821 1038272482 /nfs/dbraw/zinc/27/24/82/1038272482.db2.gz VTXYWZLNGHKPJD-UHFFFAOYSA-N -1 3 324.837 4.059 20 0 DIADHM Cc1oc([C@@H](C)N2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000514731441 1038343313 /nfs/dbraw/zinc/34/33/13/1038343313.db2.gz WSRZBHPDLZIGTK-MFKMUULPSA-N -1 3 305.399 4.246 20 0 DIADHM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccsc2)cc1 ZINC000277207768 1038452117 /nfs/dbraw/zinc/45/21/17/1038452117.db2.gz GYZBTBRXTVKZTH-MRXNPFEDSA-N -1 3 303.427 4.177 20 0 DIADHM [O-]c1coc2cc(OCc3c(Cl)cccc3Cl)ccc12 ZINC000057524257 1038573749 /nfs/dbraw/zinc/57/37/49/1038573749.db2.gz LCHOLJPBQFDSBA-UHFFFAOYSA-N -1 3 309.148 4.148 20 0 DIADHM C[C@H](CN(C)Cc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000563277962 1038608210 /nfs/dbraw/zinc/60/82/10/1038608210.db2.gz RBCKUYKBTHGFEC-CYBMUJFWSA-N -1 3 317.816 4.274 20 0 DIADHM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000606530873 1038612345 /nfs/dbraw/zinc/61/23/45/1038612345.db2.gz DQFRIQLDIAUEGF-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM CC[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccc(C)cc1 ZINC000606536863 1038612829 /nfs/dbraw/zinc/61/28/29/1038612829.db2.gz SILQCQKBIQXDOQ-HNNXBMFYSA-N -1 3 315.388 4.040 20 0 DIADHM Cc1cc(C(F)(F)F)nc(-c2ccc([O-])cc2C(F)(F)F)n1 ZINC001205066957 1038621960 /nfs/dbraw/zinc/62/19/60/1038621960.db2.gz ZQDQZPUENDGLFC-UHFFFAOYSA-N -1 3 322.208 4.195 20 0 DIADHM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062877634 1038637118 /nfs/dbraw/zinc/63/71/18/1038637118.db2.gz HVNLXULLSOFCHM-OAHLLOKOSA-N -1 3 316.228 4.070 20 0 DIADHM CC[C@]1(C(=O)[O-])CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062877633 1038637281 /nfs/dbraw/zinc/63/72/81/1038637281.db2.gz HVNLXULLSOFCHM-HNNXBMFYSA-N -1 3 316.228 4.070 20 0 DIADHM [O-]c1ccc(CNc2nc(C(F)F)nc3ccccc32)cc1F ZINC000078020094 1038881668 /nfs/dbraw/zinc/88/16/68/1038881668.db2.gz OXVQJCYKNUJWHC-UHFFFAOYSA-N -1 3 319.286 4.024 20 0 DIADHM COc1cc(-c2nc3c(ccc(C)c3C)[nH]2)cc(Cl)c1[O-] ZINC000534143640 1038989734 /nfs/dbraw/zinc/98/97/34/1038989734.db2.gz DJLOAZUCGKTVIJ-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM Cc1ccc(Br)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381990 1039281313 /nfs/dbraw/zinc/28/13/13/1039281313.db2.gz UEYTVVHNXDUZFL-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CCCCCc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000014714448 1039413092 /nfs/dbraw/zinc/41/30/92/1039413092.db2.gz JQVQWFRCWZDONM-UHFFFAOYSA-N -1 3 315.851 4.238 20 0 DIADHM COc1cccc(C2(NCc3cccc([O-])c3Cl)CCC2)c1 ZINC000657779477 1039417586 /nfs/dbraw/zinc/41/75/86/1039417586.db2.gz RYOQEFPTNKEAKU-UHFFFAOYSA-N -1 3 317.816 4.223 20 0 DIADHM CCn1cc(C(=O)Nc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000600967152 1039518942 /nfs/dbraw/zinc/51/89/42/1039518942.db2.gz ILEDYDABPVFKKY-UHFFFAOYSA-N -1 3 314.772 4.273 20 0 DIADHM CN(CCC1CCCCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000685427409 1040043950 /nfs/dbraw/zinc/04/39/50/1040043950.db2.gz GRTIWGBHLVZHPJ-UHFFFAOYSA-N -1 3 319.474 4.189 20 0 DIADHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(F)c1F ZINC000191528634 1040451885 /nfs/dbraw/zinc/45/18/85/1040451885.db2.gz VNXLMIWEXXFDMJ-QMMMGPOBSA-N -1 3 315.722 4.314 20 0 DIADHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(Cl)cc(Cl)c1 ZINC000570057726 1040622627 /nfs/dbraw/zinc/62/26/27/1040622627.db2.gz DOAFGBFCZFLPLA-BFVZDQMLSA-N -1 3 316.228 4.067 20 0 DIADHM O=C(Nc1ccc(C2CCC2)cn1)c1cc([O-])c2ccccc2c1 ZINC000360068396 1041144305 /nfs/dbraw/zinc/14/43/05/1041144305.db2.gz IKQMQSKECYLVDQ-UHFFFAOYSA-N -1 3 318.376 4.460 20 0 DIADHM Cc1cccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647111 1041354355 /nfs/dbraw/zinc/35/43/55/1041354355.db2.gz HYBDWVXFZIRPJM-UHFFFAOYSA-N -1 3 312.756 4.124 20 0 DIADHM Cc1ccccc1-c1noc(C=C([O-])c2ccccc2Cl)n1 ZINC001211647441 1041356375 /nfs/dbraw/zinc/35/63/75/1041356375.db2.gz PPKSAHFPPMHQCE-UHFFFAOYSA-N -1 3 312.756 4.124 20 0 DIADHM O=C(O[C@H]1CCc2cccnc21)c1cc2cc(Cl)sc2[n-]1 ZINC000810711360 1041432299 /nfs/dbraw/zinc/43/22/99/1041432299.db2.gz DLBWJIVQCVDYIR-NSHDSACASA-N -1 3 318.785 4.122 20 0 DIADHM CS[C@@H](C)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810810646 1041444409 /nfs/dbraw/zinc/44/44/09/1041444409.db2.gz VKHAODWUKLSHRH-BQBZGAKWSA-N -1 3 303.836 4.180 20 0 DIADHM O=C(OCc1ncc(C2CC2)o1)c1cc2cc(Cl)sc2[n-]1 ZINC000811393238 1041513118 /nfs/dbraw/zinc/51/31/18/1041513118.db2.gz ANCZKLUGEDDQJE-UHFFFAOYSA-N -1 3 322.773 4.105 20 0 DIADHM CC(C)(C)OCCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393750 1041514751 /nfs/dbraw/zinc/51/47/51/1041514751.db2.gz QUSTUFYIEPAZEE-UHFFFAOYSA-N -1 3 315.822 4.245 20 0 DIADHM Cc1ccc(COC(=O)c2cc3cc(Cl)sc3[n-]2)c(C)n1 ZINC000811397357 1041514216 /nfs/dbraw/zinc/51/42/16/1041514216.db2.gz YXZJAVUOODFXEB-UHFFFAOYSA-N -1 3 320.801 4.252 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(C(F)(F)F)CCCC1 ZINC000416176243 1041540242 /nfs/dbraw/zinc/54/02/42/1041540242.db2.gz GGYAXOJWGCCMPK-UHFFFAOYSA-N -1 3 307.699 4.107 20 0 DIADHM CC[C@@H](C)n1ncc(NCc2ccc([O-])c(F)c2)c1C1CC1 ZINC000893290740 1041634324 /nfs/dbraw/zinc/63/43/24/1041634324.db2.gz JGMNIHMNRNBSAI-LLVKDONJSA-N -1 3 303.381 4.188 20 0 DIADHM Cc1cc2occ(CC(=O)[N-]OC3CCC3)c2cc1C(C)C ZINC000812788726 1041647018 /nfs/dbraw/zinc/64/70/18/1041647018.db2.gz XJICXDCUYWDUKB-UHFFFAOYSA-N -1 3 301.386 4.007 20 0 DIADHM O=C(C[C@H](Cc1ccccc1)c1ccccc1)[N-]OC1CCC1 ZINC000812791268 1041648079 /nfs/dbraw/zinc/64/80/79/1041648079.db2.gz QUXQNMUCEDAWCD-SFHVURJKSA-N -1 3 309.409 4.003 20 0 DIADHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000112333471 1041669141 /nfs/dbraw/zinc/66/91/41/1041669141.db2.gz ZFOYVRYMRXPZPM-UHFFFAOYSA-N -1 3 303.427 4.093 20 0 DIADHM Cc1cc(F)c(CN[C@@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000417533053 1041681160 /nfs/dbraw/zinc/68/11/60/1041681160.db2.gz LZRFYKYHPZVVHH-RYUDHWBXSA-N -1 3 315.816 4.157 20 0 DIADHM COc1ncc(C(F)(F)F)cc1-c1ccc([O-])cc1Cl ZINC001245082276 1041743837 /nfs/dbraw/zinc/74/38/37/1041743837.db2.gz SAXJUUZULRDASR-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM CC(=O)Nc1cccc([C@@H](C)/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000026431674 1041842192 /nfs/dbraw/zinc/84/21/92/1041842192.db2.gz KLBRHRNYFBKIIV-VURRPDKYSA-N -1 3 316.788 4.184 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000093969759 1041853397 /nfs/dbraw/zinc/85/33/97/1041853397.db2.gz FNJQJOGNDUBNRR-GOSISDBHSA-N -1 3 324.424 4.107 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000093969760 1041853999 /nfs/dbraw/zinc/85/39/99/1041853999.db2.gz FNJQJOGNDUBNRR-SFHVURJKSA-N -1 3 324.424 4.107 20 0 DIADHM CCCOc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001211665959 1041918235 /nfs/dbraw/zinc/91/82/35/1041918235.db2.gz LKBPIHHZQLKJIX-UHFFFAOYSA-N -1 3 303.293 4.001 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(-n2cccc2)c1 ZINC001138015221 1041969170 /nfs/dbraw/zinc/96/91/70/1041969170.db2.gz 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Cc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1[O-] ZINC000006968459 1042238784 /nfs/dbraw/zinc/23/87/84/1042238784.db2.gz NMDOMFBTKBDCNR-UHFFFAOYSA-N -1 3 316.407 4.138 20 0 DIADHM CC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1Cl ZINC000432508056 1042241562 /nfs/dbraw/zinc/24/15/62/1042241562.db2.gz XVGKQWOYBGXIRV-UHFFFAOYSA-N -1 3 312.756 4.167 20 0 DIADHM Cc1csc(C2(N[C@@H](C)c3cc([O-])cc(F)c3)CCC2)n1 ZINC000925804462 1042251689 /nfs/dbraw/zinc/25/16/89/1042251689.db2.gz IBDDEXWLRXOFHH-NSHDSACASA-N -1 3 306.406 4.026 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3ccc(C)cc3[O-])ccc21 ZINC001136458763 1042255657 /nfs/dbraw/zinc/25/56/57/1042255657.db2.gz SWRUJXHZGQZKMP-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM O=C(O[C@H](C1CC1)C(F)(F)F)c1cc2cc(Cl)sc2[n-]1 ZINC000810626870 1042278790 /nfs/dbraw/zinc/27/87/90/1042278790.db2.gz VCVXLRGKNXCRNE-SECBINFHSA-N -1 3 323.723 4.381 20 0 DIADHM Cc1ccc2nc(NC(=O)c3ccc(C)c(C)c3[O-])sc2c1 ZINC001136591517 1042288933 /nfs/dbraw/zinc/28/89/33/1042288933.db2.gz 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CC(C)CC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC000442640030 1043398373 /nfs/dbraw/zinc/39/83/73/1043398373.db2.gz ZKGCUVFYFURRMT-UHFFFAOYSA-N -1 3 301.308 4.176 20 0 DIADHM C[C@H](N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc([O-])c1F ZINC000872027288 1043422816 /nfs/dbraw/zinc/42/28/16/1043422816.db2.gz CQPGULYNCZRXOT-IRWQIABSSA-N -1 3 315.388 4.102 20 0 DIADHM C[C@H](N[C@H]1CCOc2c(Cl)cccc21)c1cccc([O-])c1F ZINC000872029171 1043426063 /nfs/dbraw/zinc/42/60/63/1043426063.db2.gz WJXZXEHCWZOBCP-HZMBPMFUSA-N -1 3 321.779 4.359 20 0 DIADHM Cc1cccnc1[C@@H](N[C@H](C)c1cccc([O-])c1F)C(C)C ZINC000872033897 1043428486 /nfs/dbraw/zinc/42/84/86/1043428486.db2.gz HIGMEOQAXJDNKI-DYVFJYSZSA-N -1 3 302.393 4.283 20 0 DIADHM C[C@H](NCc1ccccc1OCC1CC1)c1cccc([O-])c1F ZINC000872037849 1043430998 /nfs/dbraw/zinc/43/09/98/1043430998.db2.gz IUEZNPVCHUIZOT-ZDUSSCGKSA-N -1 3 315.388 4.171 20 0 DIADHM CCOc1cc(C)ccc1CN[C@H](C)c1cccc([O-])c1F ZINC000872041918 1043434046 /nfs/dbraw/zinc/43/40/46/1043434046.db2.gz 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1043485452 /nfs/dbraw/zinc/48/54/52/1043485452.db2.gz WASXFEVVCCFXFF-GFCCVEGCSA-N -1 3 317.360 4.058 20 0 DIADHM CC[C@H](C)n1ncc(NCc2cc([O-])cc(F)c2)c1C1CC1 ZINC000349699195 1043519460 /nfs/dbraw/zinc/51/94/60/1043519460.db2.gz GSAYLABYNUIPEG-NSHDSACASA-N -1 3 303.381 4.188 20 0 DIADHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000558538772 1043534942 /nfs/dbraw/zinc/53/49/42/1043534942.db2.gz CGBCHMZHBPRJLE-CYBMUJFWSA-N -1 3 317.816 4.023 20 0 DIADHM O=S(=O)([N-]c1cc(C(F)F)ccc1Cl)c1ccsc1 ZINC000350866578 1043553190 /nfs/dbraw/zinc/55/31/90/1043553190.db2.gz CZOHDZHBHKGJOM-UHFFFAOYSA-N -1 3 323.773 4.140 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001299416772 1043567041 /nfs/dbraw/zinc/56/70/41/1043567041.db2.gz OTDGMDIFFDIHHX-IJEWVQPXSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000474300886 1043730181 /nfs/dbraw/zinc/73/01/81/1043730181.db2.gz AIZPUOMOEGLRGV-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1ccc([O-])c(CN2CCCC[C@H]2c2ccc(F)cc2F)n1 ZINC000355245413 1043756238 /nfs/dbraw/zinc/75/62/38/1043756238.db2.gz ZMPJLHAWTWBNES-KRWDZBQOSA-N -1 3 318.367 4.101 20 0 DIADHM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c(C(F)(F)F)o1 ZINC000474532780 1043817067 /nfs/dbraw/zinc/81/70/67/1043817067.db2.gz FWYQEVUOYQJRQE-UHFFFAOYSA-N -1 3 319.666 4.218 20 0 DIADHM CCN(Cc1nnc(-c2ccccc2[O-])o1)c1cc(C)cc(C)c1 ZINC000878215111 1043858285 /nfs/dbraw/zinc/85/82/85/1043858285.db2.gz LHZXCFMLIOXZIK-UHFFFAOYSA-N -1 3 323.396 4.086 20 0 DIADHM CCC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878344908 1043872546 /nfs/dbraw/zinc/87/25/46/1043872546.db2.gz HWGPYPULQVKUET-MRXNPFEDSA-N -1 3 323.396 4.073 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1 ZINC000014255340 1043916540 /nfs/dbraw/zinc/91/65/40/1043916540.db2.gz XFRISGXTXPFAQS-UHFFFAOYSA-N -1 3 317.454 4.303 20 0 DIADHM C[C@@](O)(CNc1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC001253109508 1043967556 /nfs/dbraw/zinc/96/75/56/1043967556.db2.gz 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/nfs/dbraw/zinc/26/23/46/1044262346.db2.gz BADPJXXVYWLHRQ-UHFFFAOYSA-N -1 3 317.439 4.009 20 0 DIADHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001137191138 1044315177 /nfs/dbraw/zinc/31/51/77/1044315177.db2.gz DBOOUBYGBRYKMW-DYVFJYSZSA-N -1 3 311.425 4.490 20 0 DIADHM CC[C@]1(C)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000564463061 1044384394 /nfs/dbraw/zinc/38/43/94/1044384394.db2.gz QEMQHLWZHIAHCY-DZGCQCFKSA-N -1 3 316.228 4.241 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2ccc(SC)o2)s1 ZINC000112228676 1044438892 /nfs/dbraw/zinc/43/88/92/1044438892.db2.gz HYLDDFNDWIBPPA-UHFFFAOYSA-N -1 3 311.432 4.009 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(OC2CCC2)cc1 ZINC000565627179 1044445427 /nfs/dbraw/zinc/44/54/27/1044445427.db2.gz QBNUNOBOYZQVPN-UHFFFAOYSA-N -1 3 317.772 4.229 20 0 DIADHM Cc1ccsc1CN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000338761253 1044545206 /nfs/dbraw/zinc/54/52/06/1044545206.db2.gz XTUJTSUCFNFNLC-UHFFFAOYSA-N -1 3 311.406 4.188 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCC12CCC2 ZINC000444572081 1044567691 /nfs/dbraw/zinc/56/76/91/1044567691.db2.gz SYJHHQZYLPVJHA-UHFFFAOYSA-N -1 3 323.392 4.343 20 0 DIADHM C[C@@H]1CC(C)(C)CN1[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000568062712 1044598174 /nfs/dbraw/zinc/59/81/74/1044598174.db2.gz MOQNEEZCQTWYCG-RNCFNFMXSA-N -1 3 316.228 4.240 20 0 DIADHM CC[C@]1(C)CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000568066041 1044601967 /nfs/dbraw/zinc/60/19/67/1044601967.db2.gz OABBMKWUYJGMOK-DZGCQCFKSA-N -1 3 316.228 4.241 20 0 DIADHM COc1cccc(-c2nc(-c3oc4ccccc4c3C)no2)c1[O-] ZINC000445490848 1044732605 /nfs/dbraw/zinc/73/26/05/1044732605.db2.gz NFBOJHUKOKCPPE-UHFFFAOYSA-N -1 3 322.320 4.172 20 0 DIADHM COc1cccc(-c2nc(C(C)(C)C3=CCCCC3)no2)c1[O-] ZINC000570153034 1044735117 /nfs/dbraw/zinc/73/51/17/1044735117.db2.gz CGTPCZVBTCNRLK-UHFFFAOYSA-N -1 3 314.385 4.229 20 0 DIADHM [O-]c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1Cl ZINC000446146941 1044902612 /nfs/dbraw/zinc/90/26/12/1044902612.db2.gz 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/nfs/dbraw/zinc/87/12/50/1045871250.db2.gz FTBGFMOVCGUCJS-XQQFMLRXSA-N -1 3 310.463 4.097 20 0 DIADHM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000754497211 1045893982 /nfs/dbraw/zinc/89/39/82/1045893982.db2.gz KWHAULMYWKGDDE-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM C[C@H](NCc1cscn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192785849 1045933158 /nfs/dbraw/zinc/93/31/58/1045933158.db2.gz MWQSUURYHQEVHQ-ZETCQYMHSA-N -1 3 303.214 4.006 20 0 DIADHM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001137702435 1045940281 /nfs/dbraw/zinc/94/02/81/1045940281.db2.gz XLUZFQYDDWDXOA-NSHDSACASA-N -1 3 321.829 4.413 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1C ZINC001137701696 1045940991 /nfs/dbraw/zinc/94/09/91/1045940991.db2.gz HOAWRXYAUUZEKT-LSDHHAIUSA-N -1 3 315.800 4.405 20 0 DIADHM CCn1cc(N[C@H](C)c2cc(Cl)c(Cl)cc2[O-])cn1 ZINC000193104167 1045967635 /nfs/dbraw/zinc/96/76/35/1045967635.db2.gz DZTLRMNCISTGHV-MRVPVSSYSA-N -1 3 300.189 4.089 20 0 DIADHM CCc1oc(CN[C@H](c2cccc(C)c2)C(C)C)cc1C(=O)[O-] ZINC000902339752 1045980656 /nfs/dbraw/zinc/98/06/56/1045980656.db2.gz XJXUOGMZYQMDSF-SFHVURJKSA-N -1 3 315.413 4.336 20 0 DIADHM C/C(=C/C(=O)Nc1cc(F)ccc1[O-])c1ccccc1Cl ZINC001138014825 1046056061 /nfs/dbraw/zinc/05/60/61/1046056061.db2.gz DHDKEKPXOSXZCU-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1cccc(-c2cncc(C(=O)Nc3cc(F)ccc3[O-])c2)c1 ZINC000532283841 1046130395 /nfs/dbraw/zinc/13/03/95/1046130395.db2.gz KXVBVIXEVHAKPI-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM CC[C@@H](CNC(=O)c1ccc(C(C)C)cc1[O-])CC(F)(F)F ZINC001142337584 1046221290 /nfs/dbraw/zinc/22/12/90/1046221290.db2.gz SDSLEZRRBNPZFV-LLVKDONJSA-N -1 3 317.351 4.224 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263113142 1046242610 /nfs/dbraw/zinc/24/26/10/1046242610.db2.gz BVNWUFZDVHVXNY-GMTAPVOTSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000795367734 1046299306 /nfs/dbraw/zinc/29/93/06/1046299306.db2.gz 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1046419237 /nfs/dbraw/zinc/41/92/37/1046419237.db2.gz KHHJZZBWNAOFRM-CYBMUJFWSA-N -1 3 323.186 4.390 20 0 DIADHM CC(C)c1ccc(NC(=O)Nc2ncc([O-])cc2Cl)cc1 ZINC001202916171 1046422208 /nfs/dbraw/zinc/42/22/08/1046422208.db2.gz LVOZQVIUTRPZFV-UHFFFAOYSA-N -1 3 305.765 4.208 20 0 DIADHM CCCCc1nc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2[nH]1 ZINC001137285127 1046460612 /nfs/dbraw/zinc/46/06/12/1046460612.db2.gz KYOKJDBFDBPDTO-UHFFFAOYSA-N -1 3 323.396 4.172 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C)CSc3ccccc32)c1[O-] ZINC000677190378 1046472581 /nfs/dbraw/zinc/47/25/81/1046472581.db2.gz MIFQBVMLEYUMIL-GFCCVEGCSA-N -1 3 313.422 4.089 20 0 DIADHM C[C@H](CC(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000677211550 1046474923 /nfs/dbraw/zinc/47/49/23/1046474923.db2.gz BGVIELZGVBSVDH-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCSc2ccccc21 ZINC000677212552 1046475067 /nfs/dbraw/zinc/47/50/67/1046475067.db2.gz XBWWTZFFEJNTRE-GFCCVEGCSA-N -1 3 319.813 4.264 20 0 DIADHM O=C(Cc1c(F)cccc1Cl)Nc1ccc(Cl)cc1[O-] ZINC000677212246 1046475093 /nfs/dbraw/zinc/47/50/93/1046475093.db2.gz RDWSAYYWMQKZLB-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CC(C)(C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000677212764 1046475209 /nfs/dbraw/zinc/47/52/09/1046475209.db2.gz SDGLEMVVYKSJFI-UHFFFAOYSA-N -1 3 307.752 4.101 20 0 DIADHM O=C(CCc1cc(Cl)cs1)Nc1ccc(Cl)cc1[O-] ZINC000677212297 1046475220 /nfs/dbraw/zinc/47/52/20/1046475220.db2.gz UBLKHYNQVYDGJZ-UHFFFAOYSA-N -1 3 316.209 4.332 20 0 DIADHM Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1Cl ZINC000677801472 1046527773 /nfs/dbraw/zinc/52/77/73/1046527773.db2.gz SAPGUVCDKSLGEX-UHFFFAOYSA-N -1 3 307.752 4.064 20 0 DIADHM CCCCN(C(=O)c1ccccc1[O-])[C@@H](C)c1ccc(C)o1 ZINC000642077298 1046558199 /nfs/dbraw/zinc/55/81/99/1046558199.db2.gz AHZHRFDYGGCLSX-AWEZNQCLSA-N -1 3 301.386 4.297 20 0 DIADHM CC1(CCNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001139989899 1046562542 /nfs/dbraw/zinc/56/25/42/1046562542.db2.gz ZMFBPGVEHHBBLB-UHFFFAOYSA-N -1 3 323.436 4.097 20 0 DIADHM O=C(CC1CCCCC1)Nc1ccc(Br)cc1[O-] ZINC000642323070 1046596334 /nfs/dbraw/zinc/59/63/34/1046596334.db2.gz LSGWUHUMHZOXBL-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccnc(Cl)c2F)CC)n1 ZINC000834438422 1046617289 /nfs/dbraw/zinc/61/72/89/1046617289.db2.gz RANIJSNQQNPKFO-NTMALXAHSA-N -1 3 321.783 4.273 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000834556289 1046630121 /nfs/dbraw/zinc/63/01/21/1046630121.db2.gz YSMGTBAISBNCFK-NSHDSACASA-N -1 3 309.278 4.150 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000533159141 1046660212 /nfs/dbraw/zinc/66/02/12/1046660212.db2.gz KZYXWZNABJFVSM-UWVGGRQHSA-N -1 3 323.726 4.066 20 0 DIADHM CCn1cc(C(=O)Nc2ccc(Cl)cc2[O-])c2ccccc21 ZINC000533159105 1046660521 /nfs/dbraw/zinc/66/05/21/1046660521.db2.gz IOWRSLBZYPZXFH-UHFFFAOYSA-N -1 3 314.772 4.273 20 0 DIADHM CCOc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1C ZINC000533159051 1046660751 /nfs/dbraw/zinc/66/07/51/1046660751.db2.gz 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/nfs/dbraw/zinc/77/49/52/1046774952.db2.gz IDTLPIBYWLJWQP-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(Nc2cc(-c3cccc(F)c3)no2)c(F)c1F ZINC001212002863 1046809035 /nfs/dbraw/zinc/80/90/35/1046809035.db2.gz HOVAMEGNIHQIOF-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc([O-])c1F ZINC000179156362 1046813271 /nfs/dbraw/zinc/81/32/71/1046813271.db2.gz JUEWKPFXEAJYRU-MDZDMXLPSA-N -1 3 305.736 4.227 20 0 DIADHM CC(=O)Nc1cc(Nc2ccc([O-])c(F)c2F)ccc1Cl ZINC001212009241 1046814475 /nfs/dbraw/zinc/81/44/75/1046814475.db2.gz KQMGOZWYXQSRRE-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM [O-]c1ccc(Nc2ccc(Cc3ccncc3)cc2)c(F)c1F ZINC001212008922 1046815428 /nfs/dbraw/zinc/81/54/28/1046815428.db2.gz HNJNJGUGOPRULD-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM Cc1cccc(Nc2ccc([O-])c(F)c2F)c1Br ZINC001212009253 1046815654 /nfs/dbraw/zinc/81/56/54/1046815654.db2.gz KYFVXZNVSQSFHN-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1c(Br)cccc1Nc1ccc([O-])c(F)c1F ZINC001212007578 1046816375 /nfs/dbraw/zinc/81/63/75/1046816375.db2.gz OPCRUKOMZHKXQI-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Nc1cc(Cl)c(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001212011152 1046818350 /nfs/dbraw/zinc/81/83/50/1046818350.db2.gz VFFSDBGZSBNJSD-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM [O-]c1ccc(Nc2ccc(Cl)c3nsnc32)c(F)c1F ZINC001212013673 1046819428 /nfs/dbraw/zinc/81/94/28/1046819428.db2.gz DJZNLOHJXJNJMU-UHFFFAOYSA-N -1 3 313.716 4.072 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1ccc([O-])c(F)c1F ZINC001212013933 1046821251 /nfs/dbraw/zinc/82/12/51/1046821251.db2.gz QFVWQVDFBRTTHZ-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1OC(F)F ZINC001212013963 1046822700 /nfs/dbraw/zinc/82/27/00/1046822700.db2.gz RSSCUOUAACAFLR-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM [O-]c1ccc(Nc2cccc(C(F)(F)F)c2O)c(F)c1F ZINC001212016372 1046824308 /nfs/dbraw/zinc/82/43/08/1046824308.db2.gz NBIGTGSAGZKNIQ-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM CC1(C)CCCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 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[O-]c1c(Cl)cc(CN2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC001140834593 1046923476 /nfs/dbraw/zinc/92/34/76/1046923476.db2.gz QTUOZLDYIOZVNN-FZMZJTMJSA-N -1 3 300.229 4.464 20 0 DIADHM CC(=O)c1ccc(F)c([N-]c2cc(-c3ccco3)no2)c1F ZINC001214758264 1046929747 /nfs/dbraw/zinc/92/97/47/1046929747.db2.gz SXSHLCZOEIICLS-UHFFFAOYSA-N -1 3 304.252 4.159 20 0 DIADHM [O-]c1ccc(CN2CCCC[C@H]2c2ccccc2)c(F)c1F ZINC001140889973 1046944226 /nfs/dbraw/zinc/94/42/26/1046944226.db2.gz RZBQFLZAWFFASL-HNNXBMFYSA-N -1 3 303.352 4.398 20 0 DIADHM [O-]c1cccc(CNC2(c3ccccc3F)CCC2)c1Cl ZINC000647237134 1046959523 /nfs/dbraw/zinc/95/95/23/1046959523.db2.gz DCKWVFPCCGUUTL-UHFFFAOYSA-N -1 3 305.780 4.354 20 0 DIADHM COc1cccc([C@@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)c1 ZINC001140991152 1046971922 /nfs/dbraw/zinc/97/19/22/1046971922.db2.gz ZSUPVWOQBLRLRU-KRWDZBQOSA-N -1 3 319.351 4.016 20 0 DIADHM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000263414180 1046990262 /nfs/dbraw/zinc/99/02/62/1046990262.db2.gz MPABZNZEGRGVFC-LBPRGKRZSA-N 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CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@H]1CC1(C)C ZINC001142506372 1047462947 /nfs/dbraw/zinc/46/29/47/1047462947.db2.gz PTCCCHQJIMIONB-OLZOCXBDSA-N -1 3 303.427 4.161 20 0 DIADHM CCCN(CC(F)(F)F)C(=O)c1cc2sccc2c([O-])c1 ZINC001142772147 1047492891 /nfs/dbraw/zinc/49/28/91/1047492891.db2.gz XRUXHJHOVMYLNA-UHFFFAOYSA-N -1 3 317.332 4.021 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c([O-])c1 ZINC001142963028 1047520329 /nfs/dbraw/zinc/52/03/29/1047520329.db2.gz DUTQWZXHALSREQ-DOTOQJQBSA-N -1 3 315.457 4.243 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(-n3cccc3)ccc2F)c([O-])c1 ZINC001143092503 1047530243 /nfs/dbraw/zinc/53/02/43/1047530243.db2.gz BNYYIOLMBKHCOS-UHFFFAOYSA-N -1 3 324.355 4.137 20 0 DIADHM CCc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C ZINC001151136256 1047592627 /nfs/dbraw/zinc/59/26/27/1047592627.db2.gz AQYDDLZLYUDBSJ-UHFFFAOYSA-N -1 3 315.388 4.364 20 0 DIADHM O=C(/C=C\CCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC001151753388 1047601825 /nfs/dbraw/zinc/60/18/25/1047601825.db2.gz 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/nfs/dbraw/zinc/62/53/32/1047625332.db2.gz IESJVWVSJLVNAA-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153461727 1047625342 /nfs/dbraw/zinc/62/53/42/1047625342.db2.gz NXQRPZHIHQUAEX-CSKARUKUSA-N -1 3 305.736 4.227 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2cc(Cl)ccc2F)c([O-])c1 ZINC001153614710 1047628458 /nfs/dbraw/zinc/62/84/58/1047628458.db2.gz JZXXDVXONKXZQV-SNVBAGLBSA-N -1 3 321.779 4.238 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1scc2c1CCCC2 ZINC001153626991 1047629621 /nfs/dbraw/zinc/62/96/21/1047629621.db2.gz OAWXMCAEILILJF-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC001153729332 1047631641 /nfs/dbraw/zinc/63/16/41/1047631641.db2.gz KXGCWGYLFNFJCV-AWEZNQCLSA-N -1 3 315.800 4.023 20 0 DIADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc2sccc2c([O-])c1 ZINC001153721138 1047631830 /nfs/dbraw/zinc/63/18/30/1047631830.db2.gz BEVHWNNPVAAJAR-SECBINFHSA-N -1 3 317.332 4.068 20 0 DIADHM O=C(Nc1ccc2c(c1)N=NC2)c1c([O-])cc2ccccc2c1O ZINC001154027912 1047637875 /nfs/dbraw/zinc/63/78/75/1047637875.db2.gz HPVLGSKPQMNTQK-UHFFFAOYSA-N -1 3 319.320 4.101 20 0 DIADHM CCc1cccc(C(=O)Nc2cnccc2-c2ccccc2)c1[O-] ZINC001154205336 1047642621 /nfs/dbraw/zinc/64/26/21/1047642621.db2.gz HTSQCLQWRKPWMD-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001154406578 1047648188 /nfs/dbraw/zinc/64/81/88/1047648188.db2.gz MXJJEWPYRKNESX-CYBMUJFWSA-N -1 3 323.367 4.484 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OC1CCCCC1 ZINC001155056508 1047665970 /nfs/dbraw/zinc/66/59/70/1047665970.db2.gz SFROCAIVAUGXDU-LSDHHAIUSA-N -1 3 301.430 4.356 20 0 DIADHM O=C(NC1CCC=CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001155721549 1047687516 /nfs/dbraw/zinc/68/75/16/1047687516.db2.gz PJWKOHANONFQQY-UHFFFAOYSA-N -1 3 323.392 4.413 20 0 DIADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])sc1-c1ccccc1 ZINC001156114311 1047701367 /nfs/dbraw/zinc/70/13/67/1047701367.db2.gz KMPAIOCJZRLKRV-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1cccc(C(=O)N(Cc2cccs2)C(C)C)c1[O-] ZINC000538743430 1047705823 /nfs/dbraw/zinc/70/58/23/1047705823.db2.gz CXOXHCYOTZDFSL-UHFFFAOYSA-N -1 3 303.427 4.067 20 0 DIADHM C[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000566357605 1047716375 /nfs/dbraw/zinc/71/63/75/1047716375.db2.gz FBEJJZWPSKFOIR-IINYFYTJSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1cc2cc(C(=O)Nc3cc([O-])cc(Cl)c3)ccc2[nH]1 ZINC001156539051 1047716831 /nfs/dbraw/zinc/71/68/31/1047716831.db2.gz HHCRPRNZMGONCY-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM Cc1cccc(C(=O)Nc2nc3cc(F)c(C)cc3s2)c1[O-] ZINC001156633443 1047718973 /nfs/dbraw/zinc/71/89/73/1047718973.db2.gz OZHHJAIMGLDREZ-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM COc1cc(Cl)c(F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001156970220 1047731010 /nfs/dbraw/zinc/73/10/10/1047731010.db2.gz OXWJCEJSSJLPLQ-UHFFFAOYSA-N -1 3 323.751 4.062 20 0 DIADHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)c1 ZINC000539111542 1047737600 /nfs/dbraw/zinc/73/76/00/1047737600.db2.gz QQZQZHDLAXCKAT-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(OC)cc1 ZINC000539391240 1047752245 /nfs/dbraw/zinc/75/22/45/1047752245.db2.gz DQUSXESJMUZHHW-CQSZACIVSA-N -1 3 319.788 4.187 20 0 DIADHM O=C(C/C=C\c1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000478288389 1047778504 /nfs/dbraw/zinc/77/85/04/1047778504.db2.gz VXOMAACUCFDDMT-UPHRSURJSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1cccc(CSCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000552780040 1047794278 /nfs/dbraw/zinc/79/42/78/1047794278.db2.gz SVHGIKMCXIMPNH-UHFFFAOYSA-N -1 3 321.829 4.226 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OC)c2F)CC)n1 ZINC000588619062 1047794549 /nfs/dbraw/zinc/79/45/49/1047794549.db2.gz ZXZMWWGMGHVXOH-BENRWUELSA-N -1 3 316.376 4.233 20 0 DIADHM [O-]c1cccnc1CNc1ccc2c(Cl)ccc(Cl)c2n1 ZINC001158775531 1047797790 /nfs/dbraw/zinc/79/77/90/1047797790.db2.gz DMAMTZGSGQWGEN-UHFFFAOYSA-N -1 3 320.179 4.254 20 0 DIADHM Cc1cc(F)cc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001174530980 1047860884 /nfs/dbraw/zinc/86/08/84/1047860884.db2.gz LJPZSGGRAOUREQ-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1cccc2sc(Nc3cccc(-c4cc[nH]n4)c3)nc21 ZINC001174506404 1047871610 /nfs/dbraw/zinc/87/16/10/1047871610.db2.gz MTIVPPFTKMVGKB-UHFFFAOYSA-N -1 3 308.366 4.136 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2cccc(C3CC3)c2)c([O-])c1 ZINC001159593076 1047875628 /nfs/dbraw/zinc/87/56/28/1047875628.db2.gz FSEQZXXVBXMXPZ-CYBMUJFWSA-N -1 3 309.409 4.323 20 0 DIADHM Cn1ccc2ccc(Nc3cccc([O-])c3Br)cc21 ZINC001174519005 1047880779 /nfs/dbraw/zinc/88/07/79/1047880779.db2.gz GXCIWXFXEFAIBR-UHFFFAOYSA-N -1 3 317.186 4.390 20 0 DIADHM CCNC(=O)Nc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001174521016 1047883057 /nfs/dbraw/zinc/88/30/57/1047883057.db2.gz ZIDOJNFBCGGFDT-UHFFFAOYSA-N -1 3 319.792 4.239 20 0 DIADHM CC1(C)C[C@]1(NCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001183065173 1047888562 /nfs/dbraw/zinc/88/85/62/1047888562.db2.gz HRHWGASWKFIRIC-SFHVURJKSA-N -1 3 303.352 4.085 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc2c1CCCC2 ZINC001159657575 1047895133 /nfs/dbraw/zinc/89/51/33/1047895133.db2.gz LLEALNCHYJLGAP-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM Cc1ccc(NC(=S)Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001197931253 1047903673 /nfs/dbraw/zinc/90/36/73/1047903673.db2.gz BSXZRXCRHBIWOQ-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1cccc(C(F)F)c1 ZINC001174618939 1047908421 /nfs/dbraw/zinc/90/84/21/1047908421.db2.gz LUVDBAWPVOFMHG-UHFFFAOYSA-N -1 3 315.117 4.231 20 0 DIADHM CCO[C@@H](C)n1cc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001174698979 1047944313 /nfs/dbraw/zinc/94/43/13/1047944313.db2.gz NAFIFTAZEMZJEQ-QMMMGPOBSA-N -1 3 316.188 4.194 20 0 DIADHM O=c1cc(Nc2ccc(C(F)(F)F)cc2)[n-]n1-c1ccccc1 ZINC001174771852 1047966216 /nfs/dbraw/zinc/96/62/16/1047966216.db2.gz NSOAPYUTKSIPJP-UHFFFAOYSA-N -1 3 319.286 4.340 20 0 DIADHM CCCCOc1ccc(C(=O)NCC[C@@H]2CC=CCC2)c([O-])c1 ZINC001184131504 1047999532 /nfs/dbraw/zinc/99/95/32/1047999532.db2.gz MYRXLDQCLRRTFU-OAHLLOKOSA-N -1 3 317.429 4.047 20 0 DIADHM CC(C)OC(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174915978 1048027474 /nfs/dbraw/zinc/02/74/74/1048027474.db2.gz NINCTJXJFUASID-UHFFFAOYSA-N -1 3 305.761 4.354 20 0 DIADHM C[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ncc(C(C)(C)C)o1 ZINC000775929905 1048032161 /nfs/dbraw/zinc/03/21/61/1048032161.db2.gz MOVMDQDBNXIWLL-VIFPVBQESA-N -1 3 323.776 4.249 20 0 DIADHM [O-]c1ccc(F)c(/C=C\c2ncc(Br)s2)c1F ZINC000480031543 1048034623 /nfs/dbraw/zinc/03/46/23/1048034623.db2.gz XOQRJPYWZHCXME-RJRFIUFISA-N -1 3 318.142 4.060 20 0 DIADHM Cc1ccc(Nc2ccc3occc(=O)c3c2)c(Cl)c1[O-] ZINC001174946591 1048043774 /nfs/dbraw/zinc/04/37/74/1048043774.db2.gz LJUOAXXGBFHBCD-UHFFFAOYSA-N -1 3 301.729 4.204 20 0 DIADHM CCc1ccc([O-])c(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC001160496797 1048059931 /nfs/dbraw/zinc/05/99/31/1048059931.db2.gz WYRKGWIRVOCHSF-IBGZPJMESA-N -1 3 321.376 4.067 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2C)c1[O-] ZINC001184683430 1048083371 /nfs/dbraw/zinc/08/33/71/1048083371.db2.gz SGOVZLSOXXUTAW-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM CCOc1ccc(F)c(Nc2cc(F)cc(F)c2[O-])c1F ZINC001175040028 1048103946 /nfs/dbraw/zinc/10/39/46/1048103946.db2.gz ZWFFSPABFOTWFA-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM C[C@@H](NC(=O)Nc1c([O-])cccc1C(F)(F)F)c1ccccc1 ZINC001185021909 1048113364 /nfs/dbraw/zinc/11/33/64/1048113364.db2.gz MUWPQNXOJGHSJN-SNVBAGLBSA-N -1 3 324.302 4.294 20 0 DIADHM Cc1cc(OC(F)F)ccc1Nc1c(F)cc([O-])cc1F ZINC001175100584 1048115814 /nfs/dbraw/zinc/11/58/14/1048115814.db2.gz WXXLBMPBMTXCKU-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM COc1ccc(-n2cccc2)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099670 1048116710 /nfs/dbraw/zinc/11/67/10/1048116710.db2.gz DFYVYKQRGLLAEF-UHFFFAOYSA-N -1 3 316.307 4.213 20 0 DIADHM CC(C)n1ncc2cc(Nc3c(F)cc([O-])cc3F)ccc21 ZINC001175099748 1048116725 /nfs/dbraw/zinc/11/67/25/1048116725.db2.gz RLZPIZUKPIOKFG-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM CCCCOc1ccc(C(=O)NC[C@H]2CCC[C@H]2CC)c([O-])c1 ZINC001161338411 1048123433 /nfs/dbraw/zinc/12/34/33/1048123433.db2.gz LFVIXXOZUNRWEI-HUUCEWRRSA-N -1 3 319.445 4.127 20 0 DIADHM [O-]c1cccc2sc(NC(=S)NC3CCCCCC3)nc21 ZINC001199960466 1048124660 /nfs/dbraw/zinc/12/46/60/1048124660.db2.gz OPOYNLWCVYRTBV-UHFFFAOYSA-N -1 3 321.471 4.011 20 0 DIADHM CC(C)(C)c1nnc([N-]c2ccc(F)c(C(F)(F)F)c2)o1 ZINC001175072973 1048128622 /nfs/dbraw/zinc/12/86/22/1048128622.db2.gz GWIVKKQNLMKAAN-UHFFFAOYSA-N -1 3 303.259 4.269 20 0 DIADHM O=C(Cc1csc2ccc(Cl)cc12)[N-]OC1CCCC1 ZINC000774863936 1048169345 /nfs/dbraw/zinc/16/93/45/1048169345.db2.gz LNBMCWQEJMIZSF-UHFFFAOYSA-N -1 3 309.818 4.088 20 0 DIADHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)[N-]OC2CCCC2)C1 ZINC000774870804 1048174082 /nfs/dbraw/zinc/17/40/82/1048174082.db2.gz ZMGPKVMDWXRWMJ-NVXWUHKLSA-N -1 3 311.466 4.133 20 0 DIADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000774876380 1048177076 /nfs/dbraw/zinc/17/70/76/1048177076.db2.gz WXGZGBHWDFFYRA-NSHDSACASA-N -1 3 315.335 4.189 20 0 DIADHM O=C(NCc1ccc(F)cc1)Nc1cc2ccccc2cc1[O-] ZINC001185471807 1048185045 /nfs/dbraw/zinc/18/50/45/1048185045.db2.gz HWAWWDZLDSCTOT-UHFFFAOYSA-N -1 3 310.328 4.006 20 0 DIADHM [O-]c1cc(Nc2cccc(O[C@@H]3CCCCO3)c2)c(F)cc1F ZINC001175187214 1048190731 /nfs/dbraw/zinc/19/07/31/1048190731.db2.gz OCHXVDZLXWSGRS-QGZVFWFLSA-N -1 3 321.323 4.319 20 0 DIADHM CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1 ZINC001175242689 1048216252 /nfs/dbraw/zinc/21/62/52/1048216252.db2.gz KZIAGANMHNEMGM-UHFFFAOYSA-N -1 3 309.369 4.029 20 0 DIADHM CCc1nc(Cl)c(Nc2c(F)ccc([O-])c2F)c(Cl)n1 ZINC001175262933 1048243245 /nfs/dbraw/zinc/24/32/45/1048243245.db2.gz DNKFRGRJFNVVKE-UHFFFAOYSA-N -1 3 320.126 4.073 20 0 DIADHM Cc1nc(Nc2c(F)ccc([O-])c2F)c(Cl)cc1Cl ZINC001175263859 1048243465 /nfs/dbraw/zinc/24/34/65/1048243465.db2.gz UVDXDTMIXRXNAW-UHFFFAOYSA-N -1 3 305.111 4.424 20 0 DIADHM Cc1ccc(-c2cc(Nc3c(F)ccc([O-])c3F)on2)cc1 ZINC001175262338 1048243745 /nfs/dbraw/zinc/24/37/45/1048243745.db2.gz DPHBIJBHHFHHMQ-UHFFFAOYSA-N -1 3 302.280 4.377 20 0 DIADHM Cc1nc(C(F)(F)F)c(Nc2c(F)ccc([O-])c2F)s1 ZINC001175262331 1048244604 /nfs/dbraw/zinc/24/46/04/1048244604.db2.gz DCQVTWOXPSGRFL-UHFFFAOYSA-N -1 3 310.247 4.198 20 0 DIADHM CC(=O)Nc1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268447 1048246066 /nfs/dbraw/zinc/24/60/66/1048246066.db2.gz OECMXBRFIZFRPN-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM COc1ccc(F)c(Nc2c(F)ccc([O-])c2F)c1Cl ZINC001175268830 1048247162 /nfs/dbraw/zinc/24/71/62/1048247162.db2.gz XZJLDNVASHJCOB-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccnn2-c2ccccc2Cl)c1F ZINC001175266652 1048247190 /nfs/dbraw/zinc/24/71/90/1048247190.db2.gz VLXIADXGLWBJGW-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM Cc1nc2c(F)cccc2cc1Nc1c(F)ccc([O-])c1F ZINC001175266723 1048247362 /nfs/dbraw/zinc/24/73/62/1048247362.db2.gz YBEWNFDTGFOHBB-UHFFFAOYSA-N -1 3 304.271 4.410 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1c(F)ccc([O-])c1F ZINC001175269989 1048249077 /nfs/dbraw/zinc/24/90/77/1048249077.db2.gz QIMBCBWSVDATNQ-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM CC(C)c1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000480855282 1048259557 /nfs/dbraw/zinc/25/95/57/1048259557.db2.gz HDZMFEVWMDOBNP-UHFFFAOYSA-N -1 3 318.295 4.075 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001162411854 1048276779 /nfs/dbraw/zinc/27/67/79/1048276779.db2.gz SSVGMABFKQMWAD-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC(C)(Nc1ccc2c(c1)[N-]C(=S)C2)C(=O)c1ccccc1 ZINC001162639477 1048322705 /nfs/dbraw/zinc/32/27/05/1048322705.db2.gz FBDWDZFQWGLUGC-UHFFFAOYSA-N -1 3 310.422 4.055 20 0 DIADHM Cc1ccc([O-])c(NC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC001187126139 1048377603 /nfs/dbraw/zinc/37/76/03/1048377603.db2.gz YNPDEIXFHNLOER-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM Cc1n[nH]c2ccc(Nc3cccc([O-])c3Br)cc12 ZINC001175701258 1048404556 /nfs/dbraw/zinc/40/45/56/1048404556.db2.gz BMENPVKZDUFDRB-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM Cc1n[nH]c2cc(Nc3cccc([O-])c3Br)ccc12 ZINC001175665883 1048411921 /nfs/dbraw/zinc/41/19/21/1048411921.db2.gz UYGFVPGXEWWUOW-UHFFFAOYSA-N -1 3 318.174 4.083 20 0 DIADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1ccc(F)c(Cl)c1 ZINC001187670886 1048422745 /nfs/dbraw/zinc/42/27/45/1048422745.db2.gz NEOGPSPQNKNIFN-UHFFFAOYSA-N -1 3 323.633 4.130 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)no1)Nc1c(F)cccc1F ZINC001202034606 1048442035 /nfs/dbraw/zinc/44/20/35/1048442035.db2.gz ZRYXNNADLURDGW-UHFFFAOYSA-N -1 3 321.308 4.325 20 0 DIADHM Cc1cscc1Nc1cc(Br)cc(F)c1[O-] ZINC001175770016 1048445560 /nfs/dbraw/zinc/44/55/60/1048445560.db2.gz AUFOGKPWJJSQTE-UHFFFAOYSA-N -1 3 302.168 4.407 20 0 DIADHM O=C(Nc1ccc([O-])c(F)c1)Nc1c(Cl)cccc1Cl ZINC001202103080 1048450638 /nfs/dbraw/zinc/45/06/38/1048450638.db2.gz GAJUHELXLXGEEU-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Nc1c(Cl)cccc1Cl ZINC001202102986 1048450891 /nfs/dbraw/zinc/45/08/91/1048450891.db2.gz FKQVXXHKIQGROI-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CC(C)c1ccc([N-]S(=O)(=O)C2CCC2)c(C(F)(F)F)c1 ZINC001188144587 1048481260 /nfs/dbraw/zinc/48/12/60/1048481260.db2.gz OTLUXGOOPNEFAT-UHFFFAOYSA-N -1 3 321.364 4.123 20 0 DIADHM O=C(Nc1cccc(Cl)c1F)Nc1c([O-])cccc1Cl ZINC001188408885 1048511666 /nfs/dbraw/zinc/51/16/66/1048511666.db2.gz ALWINLXMLXFJCZ-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM Cc1cccc(NC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001202313953 1048520269 /nfs/dbraw/zinc/52/02/69/1048520269.db2.gz AUPDTOHARBIIHK-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c([O-])c1 ZINC001202411152 1048541576 /nfs/dbraw/zinc/54/15/76/1048541576.db2.gz CDAMFPSJPHPELJ-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccccc1F ZINC001164054976 1048572971 /nfs/dbraw/zinc/57/29/71/1048572971.db2.gz QMXPRKIUMYQKFL-OAHLLOKOSA-N -1 3 319.401 4.134 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc(C(C)(C)C)c1 ZINC001188982389 1048575731 /nfs/dbraw/zinc/57/57/31/1048575731.db2.gz BOBALAJZNBFWPO-UHFFFAOYSA-N -1 3 311.381 4.145 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])Nc1cc(Cl)ccc1Cl ZINC001188992252 1048577601 /nfs/dbraw/zinc/57/76/01/1048577601.db2.gz FAIAENSTIYGNBH-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CSc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001189255545 1048607423 /nfs/dbraw/zinc/60/74/23/1048607423.db2.gz FUVBFCXWAASYBK-UHFFFAOYSA-N -1 3 318.467 4.215 20 0 DIADHM CCCCOc1ccc(NC(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001189314906 1048616402 /nfs/dbraw/zinc/61/64/02/1048616402.db2.gz CBMZVZDOMPNVFB-UHFFFAOYSA-N -1 3 318.348 4.354 20 0 DIADHM [O-]c1cc(Nc2ccc(O)cc2C(F)(F)F)c(F)cc1F ZINC001176340747 1048633352 /nfs/dbraw/zinc/63/33/52/1048633352.db2.gz VMTOBGMAUUFFBB-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1cc(=O)[n-]c(CSc2cc(C(C)(C)C)ccc2C)n1 ZINC001164537740 1048640173 /nfs/dbraw/zinc/64/01/73/1048640173.db2.gz SBYBTVJILIZUPH-UHFFFAOYSA-N -1 3 302.443 4.389 20 0 DIADHM CCc1ccc(C(=O)Nc2ccccc2NC2CCC2)c([O-])c1 ZINC001164565386 1048642368 /nfs/dbraw/zinc/64/23/68/1048642368.db2.gz TVIYVPJZBXTYIZ-UHFFFAOYSA-N -1 3 310.397 4.171 20 0 DIADHM CC1(C)C[C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000482729400 1048666217 /nfs/dbraw/zinc/66/62/17/1048666217.db2.gz BQBVRGPWHKWROF-INIZCTEOSA-N -1 3 315.800 4.198 20 0 DIADHM CCc1cccc(C)c1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001189945932 1048679761 /nfs/dbraw/zinc/67/97/61/1048679761.db2.gz PWXYRMQEFGRAPO-UHFFFAOYSA-N -1 3 313.279 4.208 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(F)cc(N3CCCC3)c2)cc1F ZINC001176421240 1048684634 /nfs/dbraw/zinc/68/46/34/1048684634.db2.gz NQVWEOUSLCGYTA-UHFFFAOYSA-N -1 3 308.303 4.153 20 0 DIADHM CCc1cccc(C)c1NC(=O)Nc1c([O-])cccc1C(C)=O ZINC001189982026 1048686130 /nfs/dbraw/zinc/68/61/30/1048686130.db2.gz QJJJNODSGCBSHW-UHFFFAOYSA-N -1 3 312.369 4.110 20 0 DIADHM CCCCOc1ccc([N-]c2nonc2C2CC2)c(F)c1F ZINC001176520309 1048705005 /nfs/dbraw/zinc/70/50/05/1048705005.db2.gz UHMPMQRNJFRSQE-UHFFFAOYSA-N -1 3 309.316 4.148 20 0 DIADHM [O-]c1cc(Nc2cccc(OC(F)(F)F)c2)c(F)cc1F ZINC001176541414 1048713551 /nfs/dbraw/zinc/71/35/51/1048713551.db2.gz XWVDTKJVGGOPCH-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC001165780258 1048715747 /nfs/dbraw/zinc/71/57/47/1048715747.db2.gz SIJDCBSXHGGHHQ-KRWDZBQOSA-N -1 3 313.372 4.242 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC001176643480 1048746458 /nfs/dbraw/zinc/74/64/58/1048746458.db2.gz ZSHBVKBTYMEDDT-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001191082365 1048846147 /nfs/dbraw/zinc/84/61/47/1048846147.db2.gz BQCPXZPEEQBYKL-SECBINFHSA-N -1 3 324.273 4.096 20 0 DIADHM C[C@@H](CN(C)C(=O)c1cc2sccc2c([O-])c1)C(C)(C)C ZINC001177239519 1048852570 /nfs/dbraw/zinc/85/25/70/1048852570.db2.gz IHZIVGZCQWBKPD-NSHDSACASA-N -1 3 305.443 4.361 20 0 DIADHM O=c1ccn(-c2ccc(NCc3cccc(C4CC4)c3)cc2)[n-]1 ZINC001203321161 1048868891 /nfs/dbraw/zinc/86/88/91/1048868891.db2.gz SUMRKONSLANENF-UHFFFAOYSA-N -1 3 305.381 4.067 20 0 DIADHM C[C@@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)CCCO2 ZINC000853095537 1048883727 /nfs/dbraw/zinc/88/37/27/1048883727.db2.gz ZTFHNTAXOYBBMA-GFCCVEGCSA-N -1 3 317.816 4.221 20 0 DIADHM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(SC)ccc1[O-])C1CC1 ZINC000668314311 1048901426 /nfs/dbraw/zinc/90/14/26/1048901426.db2.gz MIECKLUKPPBGFU-NEPJUHHUSA-N -1 3 307.459 4.153 20 0 DIADHM Cc1ccc(NC(=O)Nc2cc(F)ccc2C)c(Cl)c1[O-] ZINC001191411195 1048939818 /nfs/dbraw/zinc/93/98/18/1048939818.db2.gz FUKLSMSJCVNZNK-UHFFFAOYSA-N -1 3 308.740 4.446 20 0 DIADHM Cc1cnc(C)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001203667551 1048957763 /nfs/dbraw/zinc/95/77/63/1048957763.db2.gz NSRRXMFNMBNHCA-UHFFFAOYSA-N -1 3 311.154 4.049 20 0 DIADHM CSc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000904045927 1048961823 /nfs/dbraw/zinc/96/18/23/1048961823.db2.gz RLYHZQHDSSRQLR-AWEZNQCLSA-N -1 3 321.467 4.084 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(N3CCCCC3)cc2)cc1F ZINC001203719842 1048978508 /nfs/dbraw/zinc/97/85/08/1048978508.db2.gz VMDQAHVVHMGOTD-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM [O-]c1c(F)c(F)ccc1Nc1ccc(N2CCCCC2)cc1 ZINC001203724388 1048982243 /nfs/dbraw/zinc/98/22/43/1048982243.db2.gz LSEQOFKNUYVVMI-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1c[nH]cc1-c1ccccc1 ZINC001191787885 1048999793 /nfs/dbraw/zinc/99/97/93/1048999793.db2.gz GBCOUMJJTJEAMA-UHFFFAOYSA-N -1 3 312.756 4.293 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CC)c2ccc(Cl)cc2)c1 ZINC001178644426 1049070164 /nfs/dbraw/zinc/07/01/64/1049070164.db2.gz GOAAVGKGXZWJCG-UHFFFAOYSA-N -1 3 303.789 4.275 20 0 DIADHM COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])cc2ccccc21 ZINC001178752979 1049083335 /nfs/dbraw/zinc/08/33/35/1049083335.db2.gz GRGXRFTVEMOLJS-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM Cc1cccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(C)(C)C)c1 ZINC000857461621 1049152584 /nfs/dbraw/zinc/15/25/84/1049152584.db2.gz MVFPIJSECZZDCB-NSHDSACASA-N -1 3 305.315 4.099 20 0 DIADHM C[C@@H](CC(=O)[N-]OC1CCCCC1)Cc1ccc(Cl)cc1 ZINC000857492886 1049162564 /nfs/dbraw/zinc/16/25/64/1049162564.db2.gz OITKANGYOLSIGC-CYBMUJFWSA-N -1 3 309.837 4.289 20 0 DIADHM CC(C)(CC(=O)[N-]OCCC1CC1)Cc1ccc(Cl)cc1 ZINC000857512782 1049165105 /nfs/dbraw/zinc/16/51/05/1049165105.db2.gz SNTWNSFRVOUXDF-UHFFFAOYSA-N -1 3 309.837 4.147 20 0 DIADHM O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]OCCC1CC1 ZINC000857512202 1049165608 /nfs/dbraw/zinc/16/56/08/1049165608.db2.gz JOOYAUOPCHAZNW-UHFFFAOYSA-N -1 3 316.228 4.164 20 0 DIADHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCCCCCCC1 ZINC000857528730 1049169649 /nfs/dbraw/zinc/16/96/49/1049169649.db2.gz KFHVLPZLMSLVOO-UHFFFAOYSA-N -1 3 315.335 4.207 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(COC(C)(C)C)c2)c1 ZINC001179547409 1049178940 /nfs/dbraw/zinc/17/89/40/1049178940.db2.gz OPMISHMHOLPRCA-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM CC[C@H](Cc1ccccc1)N(C)Cc1c(F)ccc([O-])c1F ZINC001204616343 1049201226 /nfs/dbraw/zinc/20/12/26/1049201226.db2.gz USXHAAKYHNYJNF-CQSZACIVSA-N -1 3 305.368 4.124 20 0 DIADHM COCOc1cc(C)c(-c2ccc3c(c2)[N-]C(=S)C3)c(C)c1 ZINC001204623846 1049205517 /nfs/dbraw/zinc/20/55/17/1049205517.db2.gz XKZRSIXJWJVBQC-UHFFFAOYSA-N -1 3 313.422 4.249 20 0 DIADHM Cc1cccc([C@H]2CCCN2Cc2c(F)ccc([O-])c2F)c1 ZINC001204657380 1049214733 /nfs/dbraw/zinc/21/47/33/1049214733.db2.gz DSQXVFJPCJHVIX-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1Cl ZINC000858320751 1049241717 /nfs/dbraw/zinc/24/17/17/1049241717.db2.gz HRTPUTPETCPDJV-AWEZNQCLSA-N -1 3 308.208 4.476 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(c3ccccc3F)CC2)c1F ZINC001180018653 1049258412 /nfs/dbraw/zinc/25/84/12/1049258412.db2.gz PWXNNPUUAZLDPE-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CC[C@H](C)Oc1nccnc1-c1ccc([O-])cc1C(F)(F)F ZINC001205080241 1049366772 /nfs/dbraw/zinc/36/67/72/1049366772.db2.gz POJPCKNEQYQSOY-VIFPVBQESA-N -1 3 312.291 4.045 20 0 DIADHM CCc1cc([N-]S(=O)(=O)c2c(C)cccc2C)c(C)cc1C ZINC001194642942 1049402785 /nfs/dbraw/zinc/40/27/85/1049402785.db2.gz OLSRNTNSXJFKTJ-UHFFFAOYSA-N -1 3 317.454 4.283 20 0 DIADHM Cc1c(C)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1F ZINC001195158553 1049489287 /nfs/dbraw/zinc/48/92/87/1049489287.db2.gz BIFYDNYCXHJPMR-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195168899 1049490495 /nfs/dbraw/zinc/49/04/95/1049490495.db2.gz BBJPKKHPWWNZPE-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccsc2C(=O)[O-])c1F ZINC001205615296 1049511060 /nfs/dbraw/zinc/51/10/60/1049511060.db2.gz YUIUHQLBTVWIOE-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000668773608 1049541699 /nfs/dbraw/zinc/54/16/99/1049541699.db2.gz YBAGFOOVUIALIS-GOSISDBHSA-N -1 3 317.454 4.077 20 0 DIADHM Cc1ccc(F)cc1NC(=S)Nc1ccc(Cl)cc1[O-] ZINC001195913792 1049590387 /nfs/dbraw/zinc/59/03/87/1049590387.db2.gz YDBLBGHGBDUPNO-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM COc1cccc(NC(=S)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001196054459 1049606649 /nfs/dbraw/zinc/60/66/49/1049606649.db2.gz PFCDOVLGTYCHGI-UHFFFAOYSA-N -1 3 322.817 4.172 20 0 DIADHM Cc1cc(F)ccc1NC(=S)Nc1ccc(Cl)cc1[O-] ZINC001196122676 1049621752 /nfs/dbraw/zinc/62/17/52/1049621752.db2.gz OBOWBTCQNNXJTM-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CCN(c1ccccc1)c1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206044646 1049639176 /nfs/dbraw/zinc/63/91/76/1049639176.db2.gz QOYHHKBIMKKKEY-UHFFFAOYSA-N -1 3 309.344 4.146 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@H](C)c2cccc(Cl)c2F)n1 ZINC000774543071 1049704890 /nfs/dbraw/zinc/70/48/90/1049704890.db2.gz ZGRNSUBLSPRSKL-SECBINFHSA-N -1 3 312.797 4.278 20 0 DIADHM C[C@H](c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc([O-])c1 ZINC000488998258 1049717706 /nfs/dbraw/zinc/71/77/06/1049717706.db2.gz IMRKZYGWUSQIFT-CYBMUJFWSA-N -1 3 318.438 4.225 20 0 DIADHM CSc1cccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1F ZINC001197108718 1049722245 /nfs/dbraw/zinc/72/22/45/1049722245.db2.gz SGKHMHBGFYUINO-UHFFFAOYSA-N -1 3 311.765 4.159 20 0 DIADHM Cc1cc(N(C)C)ncc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001206742024 1049788913 /nfs/dbraw/zinc/78/89/13/1049788913.db2.gz CYLPKPDQFWYIDV-UHFFFAOYSA-N -1 3 312.200 4.212 20 0 DIADHM Cc1cc(N(C)C)ncc1Nc1c(Cl)ccc([O-])c1Cl ZINC001206744362 1049790984 /nfs/dbraw/zinc/79/09/84/1049790984.db2.gz URUDHMFJQJTKES-UHFFFAOYSA-N -1 3 312.200 4.212 20 0 DIADHM CC(=O)c1ccc(Nc2cc([O-])cc(F)c2)c(Br)c1 ZINC001206850886 1049812174 /nfs/dbraw/zinc/81/21/74/1049812174.db2.gz FLPFIHSTTLDABH-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CC(C)O[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC000490647202 1049849369 /nfs/dbraw/zinc/84/93/69/1049849369.db2.gz IHRWLDFRICMHEO-MRXNPFEDSA-N -1 3 319.788 4.150 20 0 DIADHM Cc1ccc(SCC(=O)Nc2c([O-])cccc2Cl)c(C)c1 ZINC000571308088 1049930026 /nfs/dbraw/zinc/93/00/26/1049930026.db2.gz FJARQHPQTQGRLB-UHFFFAOYSA-N -1 3 321.829 4.393 20 0 DIADHM Cc1cccc2[nH]cc(CC(=O)Nc3c([O-])cccc3Cl)c21 ZINC000571573586 1049936912 /nfs/dbraw/zinc/93/69/12/1049936912.db2.gz WPJGXQPKHAUSBA-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM CC(=O)c1c(Br)cccc1Nc1cc([O-])cc(F)c1 ZINC001208124914 1049975931 /nfs/dbraw/zinc/97/59/31/1049975931.db2.gz BFWGIPVOSHMABG-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM [O-]c1c(Cl)cccc1NC1=CCN(c2ccccc2)CC1 ZINC001209057496 1050032073 /nfs/dbraw/zinc/03/20/73/1050032073.db2.gz OCPDXMVXIRDQTJ-UHFFFAOYSA-N -1 3 300.789 4.252 20 0 DIADHM C[C@H]1CC(C)(C)c2cccc(NC([O-])=NO[C@H]3CCCCO3)c21 ZINC001209453256 1050061237 /nfs/dbraw/zinc/06/12/37/1050061237.db2.gz KBEDOEDWXKQUHO-WFASDCNBSA-N -1 3 318.417 4.051 20 0 DIADHM C[C@H]1CC(C)(C)c2cccc(NC(=O)[N-]O[C@H]3CCCCO3)c21 ZINC001209453256 1050061241 /nfs/dbraw/zinc/06/12/41/1050061241.db2.gz KBEDOEDWXKQUHO-WFASDCNBSA-N -1 3 318.417 4.051 20 0 DIADHM Cc1c(F)cc(Nc2cccc([O-])c2Br)cc1F ZINC001210110294 1050138260 /nfs/dbraw/zinc/13/82/60/1050138260.db2.gz UTUNWRNPRFAFDP-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Cc1c(F)c(F)ccc1Nc1cccc([O-])c1Br ZINC001210135209 1050142989 /nfs/dbraw/zinc/14/29/89/1050142989.db2.gz RKCLCKWXBJUAPP-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1snnc1-c1ccccc1 ZINC001210216319 1050161342 /nfs/dbraw/zinc/16/13/42/1050161342.db2.gz UKEHEPMONBZNCH-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(-c2ccncn2)cs1 ZINC001210218009 1050161626 /nfs/dbraw/zinc/16/16/26/1050161626.db2.gz ACUOROAFRRFLJQ-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM Cc1cc(Br)cnc1Nc1cccc(Cl)c1[O-] ZINC001210217111 1050161773 /nfs/dbraw/zinc/16/17/73/1050161773.db2.gz SGZCWXXYJCMBQT-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnc(F)c(Br)c1 ZINC001210217037 1050162113 /nfs/dbraw/zinc/16/21/13/1050162113.db2.gz QYUSYWQZTMVRMX-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc(Cl)c1[O-] ZINC001210219438 1050162993 /nfs/dbraw/zinc/16/29/93/1050162993.db2.gz JBBMIXMAWZAUJL-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM COc1cc(Nc2cccc(Cl)c2[O-])ccc1-c1cnco1 ZINC001210222023 1050163173 /nfs/dbraw/zinc/16/31/73/1050163173.db2.gz JXUQPUONKBYJJO-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM Cc1nccn1Cc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210222295 1050163270 /nfs/dbraw/zinc/16/32/70/1050163270.db2.gz ZRACESAHJFNVKM-UHFFFAOYSA-N -1 3 313.788 4.342 20 0 DIADHM CC(=O)c1ccc(C(=O)N[C@H](CCC(C)C)C(C)(C)C)cc1[O-] ZINC001136794663 1050163349 /nfs/dbraw/zinc/16/33/49/1050163349.db2.gz QYZIVUDELRBEEP-QGZVFWFLSA-N -1 3 319.445 4.176 20 0 DIADHM Cc1ccc(-c2cc(Nc3cccc(Cl)c3[O-])n(C)n2)cc1 ZINC001210221188 1050163378 /nfs/dbraw/zinc/16/33/78/1050163378.db2.gz WJBRUEHGKXDJDT-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(Oc2ncccn2)cc1 ZINC001210221942 1050163520 /nfs/dbraw/zinc/16/35/20/1050163520.db2.gz FGNJYZDXYSUTCP-UHFFFAOYSA-N -1 3 313.744 4.372 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cnc(Br)s1 ZINC001210220890 1050163660 /nfs/dbraw/zinc/16/36/60/1050163660.db2.gz SUCNSCZNEHXXOE-UHFFFAOYSA-N -1 3 305.584 4.008 20 0 DIADHM CC(C)(C)c1nnc2ccc(Nc3cccc(Cl)c3[O-])cn21 ZINC001210218656 1050163687 /nfs/dbraw/zinc/16/36/87/1050163687.db2.gz BEUGSYPALCGTMP-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ccc(OC(F)(F)F)nc1 ZINC001210220479 1050163699 /nfs/dbraw/zinc/16/36/99/1050163699.db2.gz XFDILOWCDLSLIU-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM COc1cccc2ncc(Nc3cccc(Cl)c3[O-])cc21 ZINC001210220925 1050163852 /nfs/dbraw/zinc/16/38/52/1050163852.db2.gz TXRLLCRIOKIBSU-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(OC(F)(F)F)ccc1O ZINC001210222649 1050164956 /nfs/dbraw/zinc/16/49/56/1050164956.db2.gz AZKOIMAEXZMAFN-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM Cc1cc(=O)[nH]c2cc(Nc3cccc(Cl)c3[O-])ccc12 ZINC001210223186 1050165173 /nfs/dbraw/zinc/16/51/73/1050165173.db2.gz NGWXBWVCDNIQGK-UHFFFAOYSA-N -1 3 300.745 4.351 20 0 DIADHM CCCOC(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210223086 1050165303 /nfs/dbraw/zinc/16/53/03/1050165303.db2.gz IQUGWTBQEVGVLN-UHFFFAOYSA-N -1 3 305.761 4.356 20 0 DIADHM COC(=O)c1c(C)c(Nc2cccc(Cl)c2[O-])ccc1F ZINC001210223345 1050166260 /nfs/dbraw/zinc/16/62/60/1050166260.db2.gz OZKCZFMCHKZODE-UHFFFAOYSA-N -1 3 309.724 4.023 20 0 DIADHM Cc1ccc(C)c(CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000733894881 1050185842 /nfs/dbraw/zinc/18/58/42/1050185842.db2.gz ISUHNFCAGAWRIN-UHFFFAOYSA-N -1 3 319.404 4.247 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)c([O-])c1 ZINC001136884739 1050216404 /nfs/dbraw/zinc/21/64/04/1050216404.db2.gz REUUGUIRQIXPSW-SNVBAGLBSA-N -1 3 324.207 4.498 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c([O-])c1 ZINC001136887320 1050220987 /nfs/dbraw/zinc/22/09/87/1050220987.db2.gz QKHUQWFWGMYOQH-UHFFFAOYSA-N -1 3 321.323 4.117 20 0 DIADHM Cc1ccc(Nc2ccc(-c3nccn3C)cc2)c(Cl)c1[O-] ZINC001210436325 1050246094 /nfs/dbraw/zinc/24/60/94/1050246094.db2.gz WKWPAHLUWKEOPB-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccccc2[O-])cc1 ZINC001136952744 1050253181 /nfs/dbraw/zinc/25/31/81/1050253181.db2.gz FSVJWHQKYGIBNB-DNVCBOLYSA-N -1 3 309.409 4.314 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000592314551 1050286791 /nfs/dbraw/zinc/28/67/91/1050286791.db2.gz DSPFTCUBVJIOFE-GOSISDBHSA-N -1 3 323.436 4.050 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001137029895 1050302474 /nfs/dbraw/zinc/30/24/74/1050302474.db2.gz NPCNYMCRSATFGE-IFXJQAMLSA-N -1 3 309.409 4.349 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001137029896 1050303329 /nfs/dbraw/zinc/30/33/29/1050303329.db2.gz NPCNYMCRSATFGE-KUHUBIRLSA-N -1 3 309.409 4.349 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001137029894 1050303911 /nfs/dbraw/zinc/30/39/11/1050303911.db2.gz NPCNYMCRSATFGE-AUUYWEPGSA-N -1 3 309.409 4.349 20 0 DIADHM [O-]c1cccc(Nc2ccc(OC(F)(F)F)nc2)c1Cl ZINC001210822551 1050380773 /nfs/dbraw/zinc/38/07/73/1050380773.db2.gz UDAGVNXBOWNTID-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM Cc1cnc(Br)cc1Nc1cccc([O-])c1Cl ZINC001210852044 1050390451 /nfs/dbraw/zinc/39/04/51/1050390451.db2.gz SQODRSBDXTTWRX-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM COC(=O)c1oc2ccccc2c1Nc1cccc([O-])c1Cl ZINC001210851811 1050390787 /nfs/dbraw/zinc/39/07/87/1050390787.db2.gz LWNIGZGJMNVCOU-UHFFFAOYSA-N -1 3 317.728 4.322 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Cl)n(-c2cccc(F)c2)n1 ZINC001210853942 1050392921 /nfs/dbraw/zinc/39/29/21/1050392921.db2.gz QXYVANBQLWSOMP-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(C)c1occc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000574267341 1050406022 /nfs/dbraw/zinc/40/60/22/1050406022.db2.gz CGHZNSSQPKAELL-UHFFFAOYSA-N -1 3 324.174 4.123 20 0 DIADHM O=C(/C=C\c1ccnc2ccccc12)Nc1cc(Cl)ccc1[O-] ZINC000749393171 1050409058 /nfs/dbraw/zinc/40/90/58/1050409058.db2.gz BVVHNLGQJOLLRQ-YVMONPNESA-N -1 3 324.767 4.246 20 0 DIADHM Cc1nc2c(cc(Nc3ncc(F)cc3[O-])cc2F)n1C(C)C ZINC001210921022 1050413670 /nfs/dbraw/zinc/41/36/70/1050413670.db2.gz MWEGXKVAGCTDKQ-UHFFFAOYSA-N -1 3 318.327 4.048 20 0 DIADHM CN(C)[C@H]1CCOc2c(Nc3cccc([S-])c3)cccc21 ZINC001210948260 1050429009 /nfs/dbraw/zinc/42/90/09/1050429009.db2.gz MGRQHBFXDKZCRC-INIZCTEOSA-N -1 3 300.427 4.104 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1ccccc1N1CCCCC1 ZINC001210961817 1050435215 /nfs/dbraw/zinc/43/52/15/1050435215.db2.gz WKKARRHCVJUTSV-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM CC(C)(C)OCCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786142309 1050454521 /nfs/dbraw/zinc/45/45/21/1050454521.db2.gz YPIOGIYCQWBDQZ-UHFFFAOYSA-N -1 3 322.426 4.359 20 0 DIADHM O=c1cc(CSCc2cccc3cccnc32)nc(C2CC2)[n-]1 ZINC000574385123 1050457773 /nfs/dbraw/zinc/45/77/73/1050457773.db2.gz MZIRZONPTUMVGS-UHFFFAOYSA-N -1 3 323.421 4.041 20 0 DIADHM CC(=O)c1c(Br)cccc1Nc1ccc(F)c([O-])c1 ZINC001211220445 1050522274 /nfs/dbraw/zinc/52/22/74/1050522274.db2.gz JYDVYSIBQRIZPW-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM O=C(c1cccc(F)c1Nc1ccc(F)c([O-])c1)C(F)(F)F ZINC001211221241 1050524180 /nfs/dbraw/zinc/52/41/80/1050524180.db2.gz VEISPDVJXVIWLM-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(-c4ncc[nH]4)cc3)nc21 ZINC001213085566 1050582899 /nfs/dbraw/zinc/58/28/99/1050582899.db2.gz LGYCRRLNYFXMCN-UHFFFAOYSA-N -1 3 308.366 4.136 20 0 DIADHM [O-]c1cc(F)c(Nc2ccc(OCC(F)F)cc2)c(F)c1 ZINC001213309969 1050625040 /nfs/dbraw/zinc/62/50/40/1050625040.db2.gz XUPHRSVENPOPFC-UHFFFAOYSA-N -1 3 301.239 4.058 20 0 DIADHM [O-]c1c(F)cc(Nc2ccc(F)c(Br)c2)cc1F ZINC001213379260 1050644542 /nfs/dbraw/zinc/64/45/42/1050644542.db2.gz JIEINSCFPQDHBV-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC001144657872 1050640952 /nfs/dbraw/zinc/64/09/52/1050640952.db2.gz LJUSNEWWDPSCQR-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1c(F)cc(Nc2cc(C(F)(F)F)cnc2Cl)cc1F ZINC001213373693 1050642872 /nfs/dbraw/zinc/64/28/72/1050642872.db2.gz SVPMRVDIJAKTEP-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM CC1(C)CC(=O)Nc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213384340 1050644062 /nfs/dbraw/zinc/64/40/62/1050644062.db2.gz HHSZMBPBEODYJH-UHFFFAOYSA-N -1 3 318.323 4.034 20 0 DIADHM CC(C)n1ncc2cc(Nc3cc(F)c([O-])c(F)c3)ccc21 ZINC001213386539 1050644268 /nfs/dbraw/zinc/64/42/68/1050644268.db2.gz IRRUZMGWEBFPRQ-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(Br)c1 ZINC001213379441 1050644511 /nfs/dbraw/zinc/64/45/11/1050644511.db2.gz ZADNGXLLRZGXBE-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Nc1cc(F)c(C(F)(F)F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384408 1050644739 /nfs/dbraw/zinc/64/47/39/1050644739.db2.gz LDKIEWMGIAKMIT-UHFFFAOYSA-N -1 3 322.208 4.154 20 0 DIADHM [O-]c1cc(F)c(CN2CCC(c3ccc(F)cc3)CC2)cc1F ZINC001144667095 1050645075 /nfs/dbraw/zinc/64/50/75/1050645075.db2.gz RSSVAUHHEAXVFG-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM CNc1ccc(C(F)(F)F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384591 1050645269 /nfs/dbraw/zinc/64/52/69/1050645269.db2.gz VRNCMVXXKQFNSS-UHFFFAOYSA-N -1 3 318.245 4.475 20 0 DIADHM CN(Cc1cc(F)c([O-])cc1F)Cc1cccc2ccccc21 ZINC001144666751 1050645706 /nfs/dbraw/zinc/64/57/06/1050645706.db2.gz OUERACSTZVWBPT-UHFFFAOYSA-N -1 3 313.347 4.456 20 0 DIADHM Fc1cc(C2CC2)ccc1[N-]c1nnc(Br)s1 ZINC001213454816 1050660981 /nfs/dbraw/zinc/66/09/81/1050660981.db2.gz QHFCQRRFCSSKGN-UHFFFAOYSA-N -1 3 314.183 4.061 20 0 DIADHM O=C(Nc1cnc2ccccc2c1)c1cc2sccc2c([O-])c1 ZINC000788272844 1050664942 /nfs/dbraw/zinc/66/49/42/1050664942.db2.gz ZZQUSCGHDKRDLY-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000788308876 1050665142 /nfs/dbraw/zinc/66/51/42/1050665142.db2.gz YGUDGVCADMXKMS-SMDDNHRTSA-N -1 3 301.411 4.012 20 0 DIADHM O=C(Nc1ccc2ncccc2c1)c1cc2sccc2c([O-])c1 ZINC000788290005 1050667056 /nfs/dbraw/zinc/66/70/56/1050667056.db2.gz JIVJJVOJZIMASF-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM C/C(=C/CN(Cc1ccccc1Cl)C1CCCC1)C(=O)[O-] ZINC000846245252 1050700325 /nfs/dbraw/zinc/70/03/25/1050700325.db2.gz ZKLMLXTUHKSZRI-RAXLEYEMSA-N -1 3 307.821 4.116 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1ccc(-c2ccco2)s1 ZINC001144820326 1050720049 /nfs/dbraw/zinc/72/00/49/1050720049.db2.gz FNWCTQYIXDJMRZ-UHFFFAOYSA-N -1 3 316.407 4.377 20 0 DIADHM Cc1ccc([O-])c(-c2nc(-c3ccc4sccc4c3)no2)n1 ZINC001213699306 1050721744 /nfs/dbraw/zinc/72/17/44/1050721744.db2.gz CPMWLGJCEXEZBD-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM Cc1nn(C)c2cc(Nc3ccc(C)c([O-])c3Cl)ccc12 ZINC001213762468 1050731115 /nfs/dbraw/zinc/73/11/15/1050731115.db2.gz QAEMWBWSXPOAEQ-UHFFFAOYSA-N -1 3 301.777 4.293 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCCC[C@H]2C2CCC2)c([O-])c1 ZINC001144953837 1050771416 /nfs/dbraw/zinc/77/14/16/1050771416.db2.gz SUOHWTSALZOVPJ-KRWDZBQOSA-N -1 3 301.430 4.310 20 0 DIADHM Fc1ccc(Cl)c([N-]c2cc(-c3ccncc3)no2)c1F ZINC001213945466 1050787229 /nfs/dbraw/zinc/78/72/29/1050787229.db2.gz IUWFCCXDQCUPMA-UHFFFAOYSA-N -1 3 307.687 4.412 20 0 DIADHM Cc1ccc(Nc2ccc3cc[nH]c(=O)c3c2)c(Cl)c1[O-] ZINC001213963541 1050791188 /nfs/dbraw/zinc/79/11/88/1050791188.db2.gz SYEUNOFACVDZIV-UHFFFAOYSA-N -1 3 300.745 4.351 20 0 DIADHM Cc1cc(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1Cl ZINC001214073778 1050811776 /nfs/dbraw/zinc/81/17/76/1050811776.db2.gz YMDDNCOPBARXJD-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CC(C)(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000232492164 1050811657 /nfs/dbraw/zinc/81/16/57/1050811657.db2.gz UTBWVKRMOKUMKY-LLVKDONJSA-N -1 3 305.315 4.181 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(Cl)cc(CO)c2)c1F ZINC001214563406 1050945301 /nfs/dbraw/zinc/94/53/01/1050945301.db2.gz DWRQYIVYNSUBPC-UHFFFAOYSA-N -1 3 302.132 4.074 20 0 DIADHM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001148068155 1050914972 /nfs/dbraw/zinc/91/49/72/1050914972.db2.gz HZIBJNFUPZERSV-PKOBYXMFSA-N -1 3 323.436 4.499 20 0 DIADHM Cc1cc2c(ccc(N)c2F)n1-c1cc(F)c([O-])c(Cl)c1 ZINC001214492250 1050921920 /nfs/dbraw/zinc/92/19/20/1050921920.db2.gz VXOAMDLGXGYKIG-UHFFFAOYSA-N -1 3 308.715 4.158 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccnn2Cc2ccccc2)c1F ZINC001214553828 1050938646 /nfs/dbraw/zinc/93/86/46/1050938646.db2.gz BMDRUXIRFHWAGQ-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM COc1cccc2ncc(Nc3c(Cl)ccc([O-])c3F)cc21 ZINC001214558206 1050941306 /nfs/dbraw/zinc/94/13/06/1050941306.db2.gz SEGZIWUGLMHXKV-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cnnc(Cl)c2Cl)c1F ZINC001214557695 1050941616 /nfs/dbraw/zinc/94/16/16/1050941616.db2.gz GLFQOUTUACRBEQ-UHFFFAOYSA-N -1 3 308.527 4.025 20 0 DIADHM C[C@H]1CCc2cc(N)ccc2N1c1c(F)c([O-])ccc1Cl ZINC001214559743 1050942010 /nfs/dbraw/zinc/94/20/10/1050942010.db2.gz UVPSJZXFWLSDLJ-VIFPVBQESA-N -1 3 306.768 4.240 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccccc2-n2cccn2)c1F ZINC001214559585 1050942115 /nfs/dbraw/zinc/94/21/15/1050942115.db2.gz PVPPLOWZCOLUIY-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cccnc2C(F)(F)F)c1F ZINC001214555937 1050942223 /nfs/dbraw/zinc/94/22/23/1050942223.db2.gz BKKVVTGIAYPTTL-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc(-n3cccn3)cc2)c1F ZINC001214559697 1050942288 /nfs/dbraw/zinc/94/22/88/1050942288.db2.gz SXGXXDVLHJXOLD-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM Cc1cc2c(cccc2Nc2c(Cl)ccc([O-])c2F)nn1 ZINC001214561422 1050943915 /nfs/dbraw/zinc/94/39/15/1050943915.db2.gz LOQZECAWZQEWPM-UHFFFAOYSA-N -1 3 303.724 4.180 20 0 DIADHM CCOC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214561656 1050944654 /nfs/dbraw/zinc/94/46/54/1050944654.db2.gz WSWDOWGCQKSUMZ-UHFFFAOYSA-N -1 3 309.724 4.105 20 0 DIADHM O=c1[nH]c2ccc(Nc3c(Cl)ccc([O-])c3F)cc2s1 ZINC001214561479 1050945295 /nfs/dbraw/zinc/94/52/95/1050945295.db2.gz OIBKRCMUQHCDDR-UHFFFAOYSA-N -1 3 310.737 4.244 20 0 DIADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)c2ccncc12 ZINC001214565024 1050945610 /nfs/dbraw/zinc/94/56/10/1050945610.db2.gz SULWERNVNLXIBA-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM COc1cnc2c(cccc2Nc2c(Cl)ccc([O-])c2F)c1 ZINC001214564889 1050946071 /nfs/dbraw/zinc/94/60/71/1050946071.db2.gz OXMMVDQZIMKEDM-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM Cc1ccc(C(=O)Nc2cncc(-c3ccccc3)c2)c([O-])c1 ZINC001148492089 1050949339 /nfs/dbraw/zinc/94/93/39/1050949339.db2.gz GYHXMVWGGCYBMN-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C)c(C)c3ncccc23)c([O-])c1 ZINC001148548130 1050951106 /nfs/dbraw/zinc/95/11/06/1050951106.db2.gz VBWNOHOHQNECKJ-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2csc3ccccc32)n1 ZINC000790340137 1050956875 /nfs/dbraw/zinc/95/68/75/1050956875.db2.gz WJNGVPBNYHFMNB-NWDGAFQWSA-N -1 3 313.426 4.117 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1cccc2c1CCCC2 ZINC001148635982 1050962229 /nfs/dbraw/zinc/96/22/29/1050962229.db2.gz IIYBCZSEVCGSKS-UHFFFAOYSA-N -1 3 301.773 4.177 20 0 DIADHM Cc1c(C(=O)Nc2ccc(F)c([O-])c2)cccc1C(F)(F)F ZINC001148746049 1050970733 /nfs/dbraw/zinc/97/07/33/1050970733.db2.gz VZSJCPQUDUWAIS-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000791318198 1051040646 /nfs/dbraw/zinc/04/06/46/1051040646.db2.gz UWJJHCBZNXWBDS-FZMZJTMJSA-N -1 3 303.427 4.258 20 0 DIADHM CCN(Cc1ccccc1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791312066 1051041977 /nfs/dbraw/zinc/04/19/77/1051041977.db2.gz SUCKOOUUYQNLHI-UHFFFAOYSA-N -1 3 311.406 4.269 20 0 DIADHM C[C@H](C1CC1)N(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000791340426 1051042037 /nfs/dbraw/zinc/04/20/37/1051042037.db2.gz 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Cc1ccc(-c2nc(-c3cc(C)cc(Cl)c3)no2)c([O-])c1 ZINC001215297040 1051158913 /nfs/dbraw/zinc/15/89/13/1051158913.db2.gz LSBQOQQAMHOUMX-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM [O-]c1cccc(O)c1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001215302076 1051160613 /nfs/dbraw/zinc/16/06/13/1051160613.db2.gz PWIYCRQMTRKIQJ-UHFFFAOYSA-N -1 3 323.135 4.122 20 0 DIADHM CC(=O)c1ccc(C(=O)N(c2ccccc2)[C@H](C)C2CC2)cc1[O-] ZINC001171590442 1051161867 /nfs/dbraw/zinc/16/18/67/1051161867.db2.gz SHOSCGGWKMZWGA-CYBMUJFWSA-N -1 3 323.392 4.040 20 0 DIADHM CCOc1c(Nc2cc([O-])c(F)cc2F)ccc(F)c1F ZINC001215415450 1051194948 /nfs/dbraw/zinc/19/49/48/1051194948.db2.gz VAEWIEZZGFXTEU-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM CC(C)Oc1c(Nc2c(F)cc([O-])cc2F)ccc(F)c1F ZINC001215428484 1051202531 /nfs/dbraw/zinc/20/25/31/1051202531.db2.gz DFHFTJYKKNZYJE-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM CSc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1 ZINC001215475475 1051214580 /nfs/dbraw/zinc/21/45/80/1051214580.db2.gz 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O=c1cc(Nc2cc(-c3ccccc3)cnc2F)nc(C2CC2)[n-]1 ZINC001216069900 1051560076 /nfs/dbraw/zinc/56/00/76/1051560076.db2.gz FPEQNMWFMAXPPL-UHFFFAOYSA-N -1 3 322.343 4.004 20 0 DIADHM FC(F)(F)[C@@H](Nc1ccc2c(c1)[N-]C(=S)C2)C1CCC1 ZINC001169287604 1051575099 /nfs/dbraw/zinc/57/50/99/1051575099.db2.gz LQZNFIUSEDBMCA-ZDUSSCGKSA-N -1 3 300.349 4.125 20 0 DIADHM [O-]c1cc(Nc2nc3ccccc3nc2Cl)ccc1Cl ZINC001212588326 1051575620 /nfs/dbraw/zinc/57/56/20/1051575620.db2.gz KSDDUTAFKJPOIV-UHFFFAOYSA-N -1 3 306.152 4.386 20 0 DIADHM Cc1ccc(Br)c(Nc2ccc(Cl)c([O-])c2)n1 ZINC001212588550 1051577765 /nfs/dbraw/zinc/57/77/65/1051577765.db2.gz UBLMFVCQORWWGC-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1ccc(Nc2ccc(Cl)c([O-])c2)c(Br)n1 ZINC001212588003 1051581769 /nfs/dbraw/zinc/58/17/69/1051581769.db2.gz DVSBAIJNJCYAFN-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1cc(Br)ncc1Nc1ccc(Cl)c([O-])c1 ZINC001212589430 1051586242 /nfs/dbraw/zinc/58/62/42/1051586242.db2.gz LAMUBRCGNZILCQ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 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20 0 DIADHM CCCCc1ccc(-c2noc(-c3c([O-])cc(C)cc3O)n2)cc1 ZINC001216267175 1051665369 /nfs/dbraw/zinc/66/53/69/1051665369.db2.gz DFCZLBMRQHIVHT-UHFFFAOYSA-N -1 3 324.380 4.466 20 0 DIADHM CC(=O)N1CCCc2ccc(Nc3ccc(Cl)c([O-])c3)cc21 ZINC001212593533 1051669699 /nfs/dbraw/zinc/66/96/99/1051669699.db2.gz WHOPJFFBQDENIS-UHFFFAOYSA-N -1 3 316.788 4.088 20 0 DIADHM COC(=O)c1cc(C)c(Nc2ccc(Cl)c([O-])c2)c(C)c1 ZINC001212593583 1051671149 /nfs/dbraw/zinc/67/11/49/1051671149.db2.gz YPJRAXBDRJYYDE-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212593620 1051679321 /nfs/dbraw/zinc/67/93/21/1051679321.db2.gz ATEGGFOMCFFXOU-UHFFFAOYSA-N -1 3 318.682 4.270 20 0 DIADHM COCCCNc1cccc(F)c1Nc1ccc(Cl)c([O-])c1 ZINC001212595275 1051708770 /nfs/dbraw/zinc/70/87/70/1051708770.db2.gz LMBNTGBJQDZPHA-UHFFFAOYSA-N -1 3 324.783 4.377 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(F)cc1 ZINC001173799994 1051808206 /nfs/dbraw/zinc/80/82/06/1051808206.db2.gz LTBSHSFCPAQQTJ-UHFFFAOYSA-N 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TXNMDFDXYIIJEG-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM COc1ccccc1Nc1cc(Br)cc(F)c1[O-] ZINC001173840159 1051854759 /nfs/dbraw/zinc/85/47/59/1051854759.db2.gz SRDYTVVJRWRTOP-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM COc1cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)ccc1C ZINC001216702421 1051865631 /nfs/dbraw/zinc/86/56/31/1051865631.db2.gz RYFBBIMYRLYNMD-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(=O)c1cccc(Nc2cccc([O-])c2Br)c1 ZINC001173902392 1051866115 /nfs/dbraw/zinc/86/61/15/1051866115.db2.gz HDSKWAAHTLQCLA-UHFFFAOYSA-N -1 3 306.159 4.101 20 0 DIADHM Cc1cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)ccc1F ZINC001216701842 1051866213 /nfs/dbraw/zinc/86/62/13/1051866213.db2.gz DJHFZXRFWVFSSA-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccc4cccnc43)no2)c1 ZINC001216702132 1051866302 /nfs/dbraw/zinc/86/63/02/1051866302.db2.gz KBJMAFKVJRFJKE-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1F ZINC001216702213 1051866836 /nfs/dbraw/zinc/86/68/36/1051866836.db2.gz MTPAKRCFMHOFBL-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM CN(C)Cc1ccccc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001173931289 1051902195 /nfs/dbraw/zinc/90/21/95/1051902195.db2.gz HVDZGICPVUKCKV-UHFFFAOYSA-N -1 3 315.467 4.390 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cncc4ccccc43)no2)cc1F ZINC001216894988 1051902646 /nfs/dbraw/zinc/90/26/46/1051902646.db2.gz AKLGVLYGLKPWKT-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM [O-]c1cc(-c2nc(-c3cccc(F)c3)no2)cc(C(F)(F)F)c1 ZINC001216895972 1051903286 /nfs/dbraw/zinc/90/32/86/1051903286.db2.gz OUOJNRTUXYHYLS-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1cc(F)c(F)cc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895441 1051903432 /nfs/dbraw/zinc/90/34/32/1051903432.db2.gz SATZVTCUAGJROK-UHFFFAOYSA-N -1 3 320.270 4.143 20 0 DIADHM Cc1cccc(-c2noc(-c3ccc(C(C)(C)C)cc3[O-])n2)n1 ZINC001216907935 1051905874 /nfs/dbraw/zinc/90/58/74/1051905874.db2.gz VNCMYWZYAPBCQE-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM CCOc1cccc(-c2nc(-c3cccc4ccoc43)no2)c1[O-] ZINC001216957555 1051916895 /nfs/dbraw/zinc/91/68/95/1051916895.db2.gz WVRZFBACLFZAFS-UHFFFAOYSA-N -1 3 322.320 4.254 20 0 DIADHM COc1ccc(C)cc1Nc1cccc([O-])c1Br ZINC001173985787 1051919457 /nfs/dbraw/zinc/91/94/57/1051919457.db2.gz HNIOEPGPDWXFSO-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM [O-]c1ccc(-c2nc(-c3ccccc3)no2)c(C(F)(F)F)c1 ZINC001216983044 1051925726 /nfs/dbraw/zinc/92/57/26/1051925726.db2.gz QJSBNPHRLSULDR-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccccc2OC(F)(F)F)c1 ZINC000223078874 1051941447 /nfs/dbraw/zinc/94/14/47/1051941447.db2.gz VCLDVVANYOSUSI-UHFFFAOYSA-N -1 3 301.239 4.042 20 0 DIADHM CCN(CC)C(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174064947 1051948012 /nfs/dbraw/zinc/94/80/12/1051948012.db2.gz UNBKFQMAZVFMMC-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cc1F ZINC001174020924 1051952855 /nfs/dbraw/zinc/95/28/55/1051952855.db2.gz IVRWPUVTMAGEME-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM Fc1cc(Cl)cc(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217136497 1051972668 /nfs/dbraw/zinc/97/26/68/1051972668.db2.gz BQMBMDUBYHIPGD-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Cc1cccc(-c2noc(-c3nc4cc(Cl)ccc4[n-]3)n2)c1 ZINC001217257081 1052007626 /nfs/dbraw/zinc/00/76/26/1052007626.db2.gz LIDWOYRIBFBOGT-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM Cc1cccc(-c2noc(-c3nc4ccc(Cl)cc4[n-]3)n2)c1 ZINC001217257081 1052007632 /nfs/dbraw/zinc/00/76/32/1052007632.db2.gz LIDWOYRIBFBOGT-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM Cc1nc(-c2noc(-c3cc4ccccc4cc3[O-])n2)ccc1F ZINC001217348064 1052031525 /nfs/dbraw/zinc/03/15/25/1052031525.db2.gz WPVVJMAJQNEJGY-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(Nc2cccc(C(=O)NC(C)C)c2)c(Cl)c1[O-] ZINC001174188042 1052037860 /nfs/dbraw/zinc/03/78/60/1052037860.db2.gz RIYVBXUQPWJCOA-UHFFFAOYSA-N -1 3 318.804 4.236 20 0 DIADHM CCc1cccnc1-c1noc(-c2c([O-])ccc3ccccc32)n1 ZINC001217412132 1052047404 /nfs/dbraw/zinc/04/74/04/1052047404.db2.gz LRCHFPVTJPTQTP-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM [O-]c1cc2ccc(O)cc2cc1-c1nc(-c2ccccc2F)no1 ZINC001217419200 1052051666 /nfs/dbraw/zinc/05/16/66/1052051666.db2.gz RBLQGLFLCVVRLN-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM COc1ccc(F)c(Nc2cccc([O-])c2Br)c1 ZINC001174211531 1052051972 /nfs/dbraw/zinc/05/19/72/1052051972.db2.gz DPZAHUNANMBGKP-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM COc1ccccc1-c1noc(-c2ccc([O-])c3ccccc23)n1 ZINC001217436776 1052054920 /nfs/dbraw/zinc/05/49/20/1052054920.db2.gz SETZREQMAIAKTF-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1c(F)cccc1-c1noc(-c2c([O-])cnc3ccccc32)n1 ZINC001217442374 1052056646 /nfs/dbraw/zinc/05/66/46/1052056646.db2.gz XEEYXNDLMXXXTA-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCc1ccc(-c2noc(-c3c([O-])cnc4ccccc43)n2)cc1 ZINC001217442358 1052056905 /nfs/dbraw/zinc/05/69/05/1052056905.db2.gz WSHCVSVMAFZTRD-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM Cc1cc(F)cc(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1 ZINC001217441084 1052057025 /nfs/dbraw/zinc/05/70/25/1052057025.db2.gz GKGAAYLCGOTJDI-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cc(F)ccc1-c1noc(-c2c([O-])cnc3ccccc32)n1 ZINC001217441508 1052057200 /nfs/dbraw/zinc/05/72/00/1052057200.db2.gz LAZJTTSCAZMAKB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1cc(C)cc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1 ZINC001217493774 1052075144 /nfs/dbraw/zinc/07/51/44/1052075144.db2.gz ZVFGGOGWCYSIJL-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)cc1F ZINC001217493442 1052075362 /nfs/dbraw/zinc/07/53/62/1052075362.db2.gz UCSJSGAUXOZYOC-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cccc(N2CCCCC2)c1 ZINC001174301991 1052078632 /nfs/dbraw/zinc/07/86/32/1052078632.db2.gz PFPGSDICCPHLIZ-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM CCc1ccc(NCc2cc(=O)oc3c(C)c([O-])ccc23)cc1C ZINC000769658318 1052091006 /nfs/dbraw/zinc/09/10/06/1052091006.db2.gz QSYVJNULVHUUPM-UHFFFAOYSA-N -1 3 323.392 4.290 20 0 DIADHM CCc1cccc(C(=O)N(C)c2ccc3ccccc3c2)c1[O-] ZINC000769649314 1052091181 /nfs/dbraw/zinc/09/11/81/1052091181.db2.gz RULMYSPAXHTMPJ-UHFFFAOYSA-N -1 3 305.377 4.384 20 0 DIADHM CC(C)n1cnc2cc(Nc3cc([O-])c(F)cc3F)ccc21 ZINC001174381151 1052138493 /nfs/dbraw/zinc/13/84/93/1052138493.db2.gz HWVCVFKBILTBSW-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C2CCCCC2)c1 ZINC001219598934 1052296300 /nfs/dbraw/zinc/29/63/00/1052296300.db2.gz MRTIZPIBRNELDP-KRWDZBQOSA-N -1 3 318.417 4.314 20 0 DIADHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C2CCCCC2)c1 ZINC001219598934 1052296306 /nfs/dbraw/zinc/29/63/06/1052296306.db2.gz MRTIZPIBRNELDP-KRWDZBQOSA-N -1 3 318.417 4.314 20 0 DIADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1c(F)cccc1F ZINC000495370655 1052323385 /nfs/dbraw/zinc/32/33/85/1052323385.db2.gz NCLGILYHJLVOQR-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM C[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000315054503 1052329084 /nfs/dbraw/zinc/32/90/84/1052329084.db2.gz PUNALLKDIITAMR-NSHDSACASA-N -1 3 306.203 4.006 20 0 DIADHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001222223601 1052464340 /nfs/dbraw/zinc/46/43/40/1052464340.db2.gz IEDZRESXEFJHBZ-HNNXBMFYSA-N -1 3 322.424 4.032 20 0 DIADHM Cc1ccc(CCCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000075289187 1052507097 /nfs/dbraw/zinc/50/70/97/1052507097.db2.gz PGXPSHRSENSGAP-UHFFFAOYSA-N -1 3 303.789 4.315 20 0 DIADHM Cc1ccccc1OCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210865 1052508196 /nfs/dbraw/zinc/50/81/96/1052508196.db2.gz KOZQUGJQTBEIJL-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM CSc1nc2ccsc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899210 1052552454 /nfs/dbraw/zinc/55/24/54/1052552454.db2.gz FWFZSDWDTVNLAB-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc(OCC(F)(F)F)ccn2)c1 ZINC001235901050 1052553164 /nfs/dbraw/zinc/55/31/64/1052553164.db2.gz QPUSSFXVPWALLC-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000154234968 1052674829 /nfs/dbraw/zinc/67/48/29/1052674829.db2.gz RYJAREUOWCSCDK-SEUFLYEGSA-N -1 3 315.800 4.385 20 0 DIADHM [O-]c1coc2cc(OC3CC(c4ccccc4Cl)C3)ccc12 ZINC001225340331 1052776128 /nfs/dbraw/zinc/77/61/28/1052776128.db2.gz JALRMNOOAKRMBE-UHFFFAOYSA-N -1 3 314.768 4.240 20 0 DIADHM Cc1ccc([C@@H](Oc2ccc3c([O-])coc3c2)C(F)(F)F)cc1 ZINC001225342797 1052777396 /nfs/dbraw/zinc/77/73/96/1052777396.db2.gz LQRCMXRMZSFXKC-MRXNPFEDSA-N -1 3 322.282 4.253 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(C)c2Br)c1[O-] ZINC000129198102 1052780241 /nfs/dbraw/zinc/78/02/41/1052780241.db2.gz OLBPPPWFEAQNMW-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cccc([O-])c1F ZINC000129200033 1052780490 /nfs/dbraw/zinc/78/04/90/1052780490.db2.gz MDGUMYOHFPXKSQ-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000129743272 1052810331 /nfs/dbraw/zinc/81/03/31/1052810331.db2.gz YUTPYQIDWQAFBB-JKSUJKDBSA-N -1 3 321.351 4.427 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C(F)(F)F ZINC001225743659 1052824552 /nfs/dbraw/zinc/82/45/52/1052824552.db2.gz YXYHSSMDPWGFMM-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM Cc1cccc([C@H](C)Oc2cc(C(F)(F)F)nc(=S)[n-]2)c1 ZINC001225853867 1052839152 /nfs/dbraw/zinc/83/91/52/1052839152.db2.gz SEQAARNHZXFKLV-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM CCOc1cc(-c2nc3ccc(Cl)nc3[nH]2)cc(Cl)c1[O-] ZINC000154867738 1052844667 /nfs/dbraw/zinc/84/46/67/1052844667.db2.gz BVZVFTCSPPGLIN-UHFFFAOYSA-N -1 3 324.167 4.036 20 0 DIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1F ZINC000919047576 1052848849 /nfs/dbraw/zinc/84/88/49/1052848849.db2.gz WHPAXDHNXQMYIN-SSDOTTSWSA-N -1 3 302.132 4.379 20 0 DIADHM CCCC[C@@H](Oc1cc(COC)nc(=S)[n-]1)c1ccccc1 ZINC001225936369 1052850166 /nfs/dbraw/zinc/85/01/66/1052850166.db2.gz ZNOWILZMAAELKC-OAHLLOKOSA-N -1 3 318.442 4.222 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1c(F)cccc1F ZINC001226116447 1052869491 /nfs/dbraw/zinc/86/94/91/1052869491.db2.gz CCGSYIBUGGCGDD-QMMMGPOBSA-N -1 3 308.353 4.061 20 0 DIADHM Cc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2C2CC2)c(C)c1 ZINC001226120313 1052870355 /nfs/dbraw/zinc/87/03/55/1052870355.db2.gz RXHSLYWQIZLGOI-GFCCVEGCSA-N -1 3 300.427 4.400 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccc(F)c(F)c1 ZINC001226118844 1052870684 /nfs/dbraw/zinc/87/06/84/1052870684.db2.gz JISZHBAHWRPPDE-QMMMGPOBSA-N -1 3 308.353 4.061 20 0 DIADHM C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1csc(Cl)c1 ZINC001226119943 1052870699 /nfs/dbraw/zinc/87/06/99/1052870699.db2.gz PYJDTYJFDCNBSV-SSDOTTSWSA-N -1 3 312.847 4.498 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1O ZINC001226479915 1052900402 /nfs/dbraw/zinc/90/04/02/1052900402.db2.gz VWQNLUMFADGSNN-PVXIVEMSSA-N -1 3 306.402 4.140 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC001226482261 1052901090 /nfs/dbraw/zinc/90/10/90/1052901090.db2.gz LKXQKPWCCIFBLD-HZSPNIEDSA-N -1 3 304.386 4.038 20 0 DIADHM C/C=C/[C@@H](Oc1c([O-])ccc(C(C)=O)c1O)C1CCCCC1 ZINC001226481072 1052901170 /nfs/dbraw/zinc/90/11/70/1052901170.db2.gz BYLDMEQTLOOXBL-LERPRCHQSA-N -1 3 304.386 4.204 20 0 DIADHM CCc1cccc(C(=O)N2CCCSc3ccccc32)c1[O-] ZINC000556932231 1052901310 /nfs/dbraw/zinc/90/13/10/1052901310.db2.gz TUXKWUZZPRQNGB-UHFFFAOYSA-N -1 3 313.422 4.097 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CC[C@H](C)[C@H](C)C3)cc12 ZINC001226531718 1052907516 /nfs/dbraw/zinc/90/75/16/1052907516.db2.gz FVZJIIAQSMFNRU-DMDPSCGWSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](c3ccccc3)C3CC3)cc12 ZINC001226536380 1052908936 /nfs/dbraw/zinc/90/89/36/1052908936.db2.gz WTQDLIBATANCEO-FQEVSTJZSA-N -1 3 322.360 4.337 20 0 DIADHM C[C@@H]1C[C@@H](Oc2c([O-])ccc3ccc(=O)oc32)CC(C)(C)C1 ZINC001226596477 1052913893 /nfs/dbraw/zinc/91/38/93/1052913893.db2.gz KMLFNLBJLVETQC-DGCLKSJQSA-N -1 3 302.370 4.092 20 0 DIADHM CC[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1F ZINC001226598519 1052914018 /nfs/dbraw/zinc/91/40/18/1052914018.db2.gz DFXVEXYJSNXWLB-OAHLLOKOSA-N -1 3 314.312 4.168 20 0 DIADHM C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1csc(Cl)c1 ZINC001226597296 1052914047 /nfs/dbraw/zinc/91/40/47/1052914047.db2.gz SYIXKARVRWAEOV-QMMMGPOBSA-N -1 3 322.769 4.354 20 0 DIADHM CCC[C@@H]1CCCC[C@@H]1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226598637 1052914137 /nfs/dbraw/zinc/91/41/37/1052914137.db2.gz FSZDFXRPHUZQFW-DOMZBBRYSA-N -1 3 302.370 4.236 20 0 DIADHM COc1ccc([C@H](C)Oc2cccc([O-])c2Cl)cc1OC ZINC001226709592 1052923664 /nfs/dbraw/zinc/92/36/64/1052923664.db2.gz OZSHGKFAYVVHKK-JTQLQIEISA-N -1 3 308.761 4.203 20 0 DIADHM [O-]c1cccc(OC2CC(OCc3ccccc3)C2)c1Cl ZINC001226712491 1052924468 /nfs/dbraw/zinc/92/44/68/1052924468.db2.gz SHSQYKHZIQGEJA-UHFFFAOYSA-N -1 3 304.773 4.172 20 0 DIADHM Cc1cc(O[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]c(=S)n1 ZINC001226799284 1052932633 /nfs/dbraw/zinc/93/26/33/1052932633.db2.gz UJDLYYFJVRYVJW-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM C[C@H](Oc1ccnc(=S)[n-]1)c1cc(Cl)ccc1Cl ZINC001226940056 1052946896 /nfs/dbraw/zinc/94/68/96/1052946896.db2.gz MXMQJFSQCVNJNG-ZETCQYMHSA-N -1 3 301.198 4.212 20 0 DIADHM O=c1[n-]cncc1O[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001227048724 1052956623 /nfs/dbraw/zinc/95/66/23/1052956623.db2.gz JUKOHZRRFYREFX-INIZCTEOSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@@H]1CCC[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227586980 1053002463 /nfs/dbraw/zinc/00/24/63/1053002463.db2.gz DNWMMLSQBDSCKS-PSASIEDQSA-N -1 3 303.171 4.251 20 0 DIADHM C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)c1cccc(F)c1 ZINC001227586239 1053002670 /nfs/dbraw/zinc/00/26/70/1053002670.db2.gz KCIVXLURZYIVMG-MRVPVSSYSA-N -1 3 301.239 4.085 20 0 DIADHM C[C@H]1CCCC[C@H]1Oc1c([O-])cc(Br)cc1F ZINC001227588712 1053003133 /nfs/dbraw/zinc/00/31/33/1053003133.db2.gz URKJKBXGILRFRW-QPUJVOFHSA-N -1 3 303.171 4.251 20 0 DIADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1c([O-])cccc1Cl ZINC000615322213 1053013092 /nfs/dbraw/zinc/01/30/92/1053013092.db2.gz OGBDWKDROWZZAM-FZMZJTMJSA-N -1 3 315.747 4.200 20 0 DIADHM Cc1ccc([C@@H](Oc2ncc(Cl)cc2[O-])C(F)(F)F)cc1 ZINC001227980014 1053033189 /nfs/dbraw/zinc/03/31/89/1053033189.db2.gz JULBNZOPVJWSTB-GFCCVEGCSA-N -1 3 317.694 4.431 20 0 DIADHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1cccc2ccccc21 ZINC001228007673 1053035998 /nfs/dbraw/zinc/03/59/98/1053035998.db2.gz LQMSHXUDRSRVLO-LBPRGKRZSA-N -1 3 317.348 4.024 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1nccs1 ZINC001228135153 1053046147 /nfs/dbraw/zinc/04/61/47/1053046147.db2.gz WQNYHDLSLUPTSG-LLVKDONJSA-N -1 3 305.399 4.144 20 0 DIADHM CCCCOC[C@@H](C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228135129 1053046206 /nfs/dbraw/zinc/04/62/06/1053046206.db2.gz WEUKWXCDGUBNKL-CYBMUJFWSA-N -1 3 308.418 4.131 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1cccnc1F ZINC001228135139 1053046249 /nfs/dbraw/zinc/04/62/49/1053046249.db2.gz WJQJMUIYGZSPRJ-GFCCVEGCSA-N -1 3 317.360 4.221 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCC(=O)CC1(C)C ZINC001228134880 1053046324 /nfs/dbraw/zinc/04/63/24/1053046324.db2.gz UHVHXNWANJTQDC-KRWDZBQOSA-N -1 3 318.413 4.074 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H](C)c1cccnc1F ZINC001228135140 1053046600 /nfs/dbraw/zinc/04/66/00/1053046600.db2.gz WJQJMUIYGZSPRJ-LBPRGKRZSA-N -1 3 317.360 4.221 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@@H]2CCCC[C@@H]2F)c1 ZINC001228153527 1053048098 /nfs/dbraw/zinc/04/80/98/1053048098.db2.gz GBDXDZIIYZRTMM-DOTOQJQBSA-N -1 3 314.356 4.283 20 0 DIADHM Cc1ccc([C@H](C)Oc2cc(-c3ccccc3)nc(=S)[n-]2)cn1 ZINC001228347877 1053079955 /nfs/dbraw/zinc/07/99/55/1053079955.db2.gz XHFQPQKZDSAJAP-ZDUSSCGKSA-N -1 3 323.421 4.276 20 0 DIADHM Cc1ccc([C@H](C)Oc2c([O-])ccc3c(C)cc(=O)oc32)cc1 ZINC001228622975 1053147748 /nfs/dbraw/zinc/14/77/48/1053147748.db2.gz NRXXCXAFVLXCDD-ZDUSSCGKSA-N -1 3 310.349 4.255 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1[C@@H](C)CCC[C@@H]1C ZINC001228622962 1053147856 /nfs/dbraw/zinc/14/78/56/1053147856.db2.gz NLRSMZDUMMQPLH-QWRGUYRKSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001228623499 1053149309 /nfs/dbraw/zinc/14/93/09/1053149309.db2.gz RRODDNSRRRXKRV-IXPVHAAZSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cccc2c1[C@@H](Oc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001228626767 1053149349 /nfs/dbraw/zinc/14/93/49/1053149349.db2.gz CJCUULXOAJIJFN-INIZCTEOSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1ccc2c(c1)CC[C@H]2Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628962 1053149516 /nfs/dbraw/zinc/14/95/16/1053149516.db2.gz LPJKRXZISXSICJ-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628961 1053149858 /nfs/dbraw/zinc/14/98/58/1053149858.db2.gz LPJKRXZISXSICJ-KRWDZBQOSA-N -1 3 322.360 4.182 20 0 DIADHM CCC1(CC)CCC(NC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001228627704 1053150104 /nfs/dbraw/zinc/15/01/04/1053150104.db2.gz OTEOVCYTAANCMH-UHFFFAOYSA-N -1 3 322.424 4.080 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H]1CCCc2ccccc21 ZINC001228630549 1053151614 /nfs/dbraw/zinc/15/16/14/1053151614.db2.gz SROBZIGCBAPFRD-KRWDZBQOSA-N -1 3 322.360 4.263 20 0 DIADHM CCCC[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccccc1 ZINC001228697547 1053160992 /nfs/dbraw/zinc/16/09/92/1053160992.db2.gz JUPWQLPSGFENFT-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccccc1 ZINC001228697547 1053160998 /nfs/dbraw/zinc/16/09/98/1053160998.db2.gz JUPWQLPSGFENFT-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM CCCC[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC001228697547 1053161003 /nfs/dbraw/zinc/16/10/03/1053161003.db2.gz JUPWQLPSGFENFT-MRXNPFEDSA-N -1 3 308.385 4.177 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1cc2ccccc2s1 ZINC001228697658 1053161282 /nfs/dbraw/zinc/16/12/82/1053161282.db2.gz NCEFYBAXQDYPSG-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@H]3CCc4cc(Cl)ccc43)cc21 ZINC001228853834 1053194503 /nfs/dbraw/zinc/19/45/03/1053194503.db2.gz MKTHBWJRVICJAH-KRWDZBQOSA-N -1 3 314.768 4.241 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(Cl)cc1Cl ZINC000089395169 1053200932 /nfs/dbraw/zinc/20/09/32/1053200932.db2.gz WMLGZFRTUSBOTE-UHFFFAOYSA-N -1 3 317.147 4.244 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H](C)Cc1ccco1 ZINC001228959270 1053213663 /nfs/dbraw/zinc/21/36/63/1053213663.db2.gz XAUCNNCXIFVTSK-LBPRGKRZSA-N -1 3 302.370 4.321 20 0 DIADHM [O-]c1cc(O)cc(OC2CCCCCCC2)c1Br ZINC001229097760 1053246318 /nfs/dbraw/zinc/24/63/18/1053246318.db2.gz WPOQKTFUIAVCOO-UHFFFAOYSA-N -1 3 315.207 4.352 20 0 DIADHM CCCc1nc(C(=O)[N-]c2csnc2-c2ccccc2)co1 ZINC001360451180 1053227816 /nfs/dbraw/zinc/22/78/16/1053227816.db2.gz HQBISTXXHRSLGG-UHFFFAOYSA-N -1 3 313.382 4.003 20 0 DIADHM CCC[C@@H](Oc1cc(O)cc([O-])c1Br)C(C)(C)C ZINC001229098107 1053245606 /nfs/dbraw/zinc/24/56/06/1053245606.db2.gz BNTPGDRYXXIJQZ-GFCCVEGCSA-N -1 3 317.223 4.454 20 0 DIADHM Cc1ccc([C@@H](C)Oc2cc(O)cc([O-])c2Br)cc1 ZINC001229096913 1053245629 /nfs/dbraw/zinc/24/56/29/1053245629.db2.gz MRODUPZZEMNPTP-SNVBAGLBSA-N -1 3 323.186 4.309 20 0 DIADHM CCC[C@@H](Oc1cc(O)cc([O-])c1Br)[C@H](C)CC ZINC001229100151 1053246246 /nfs/dbraw/zinc/24/62/46/1053246246.db2.gz QIEXHTYHCJSHHD-BXKDBHETSA-N -1 3 317.223 4.454 20 0 DIADHM CC1(C)CCC(Oc2cc(O)cc([O-])c2Br)CC1 ZINC001229099987 1053246790 /nfs/dbraw/zinc/24/67/90/1053246790.db2.gz ODUWOAHHQRVXPZ-UHFFFAOYSA-N -1 3 315.207 4.208 20 0 DIADHM CCCCC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229101153 1053248883 /nfs/dbraw/zinc/24/88/83/1053248883.db2.gz ZWWQJNKAZQCECM-SECBINFHSA-N -1 3 303.196 4.208 20 0 DIADHM C[C@H](COc1ccccc1)Oc1cccc([O-])c1Br ZINC001229139933 1053256758 /nfs/dbraw/zinc/25/67/58/1053256758.db2.gz OPNOMQAUEYPDSL-LLVKDONJSA-N -1 3 323.186 4.001 20 0 DIADHM [O-]c1cccc(O[C@@H]2CCCc3cccnc32)c1Br ZINC001229139897 1053256998 /nfs/dbraw/zinc/25/69/98/1053256998.db2.gz NTAZPAWUDZYHBY-CYBMUJFWSA-N -1 3 320.186 4.006 20 0 DIADHM O=c1cc(-c2ccccc2)c2cc(O[C@@H]3C=CCC3)c([O-])cc2o1 ZINC001229266346 1053287568 /nfs/dbraw/zinc/28/75/68/1053287568.db2.gz BFFHTQFZZNBBCB-CQSZACIVSA-N -1 3 320.344 4.263 20 0 DIADHM Cc1csc2[n-]c(=S)nc(O[C@@H](C)c3ccc(C)nc3)c12 ZINC001229354308 1053305467 /nfs/dbraw/zinc/30/54/67/1053305467.db2.gz VUSLQUHDMOEAGY-JTQLQIEISA-N -1 3 317.439 4.132 20 0 DIADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1F ZINC001320248414 1053317464 /nfs/dbraw/zinc/31/74/64/1053317464.db2.gz UKKKWXPCNHKGHR-QMMMGPOBSA-N -1 3 311.715 4.066 20 0 DIADHM Cc1ccccc1[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570911 1053355151 /nfs/dbraw/zinc/35/51/51/1053355151.db2.gz XBEBDOIUOPZDKE-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM Fc1ccc2c(c1)CC[C@@H]2Oc1nc(=S)[n-]c2sccc21 ZINC001229567597 1053355512 /nfs/dbraw/zinc/35/55/12/1053355512.db2.gz DHELHENTDYLHBE-LBPRGKRZSA-N -1 3 318.398 4.185 20 0 DIADHM COc1ccc(F)cc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001545818719 1053368782 /nfs/dbraw/zinc/36/87/82/1053368782.db2.gz NIPMUUSDKDRHRE-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM CC1(C)CC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001545853611 1053368906 /nfs/dbraw/zinc/36/89/06/1053368906.db2.gz PQZWOFAHPMGTPH-KRWDZBQOSA-N -1 3 323.436 4.292 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2OC2CC=CC2)c1 ZINC001229806993 1053406305 /nfs/dbraw/zinc/40/63/05/1053406305.db2.gz FBIVPDVYSURWQW-UHFFFAOYSA-N -1 3 312.365 4.162 20 0 DIADHM CCc1ccc2nc(-c3ccc(F)c(Cl)c3)[n-]c(=O)c2c1 ZINC001321864541 1053438117 /nfs/dbraw/zinc/43/81/17/1053438117.db2.gz BECKXDBTKJJYAP-UHFFFAOYSA-N -1 3 302.736 4.357 20 0 DIADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC001229958649 1053438224 /nfs/dbraw/zinc/43/82/24/1053438224.db2.gz SZDQBRXECXWGDQ-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001229958649 1053438236 /nfs/dbraw/zinc/43/82/36/1053438236.db2.gz SZDQBRXECXWGDQ-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC001229958650 1053438632 /nfs/dbraw/zinc/43/86/32/1053438632.db2.gz SZDQBRXECXWGDQ-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001229958650 1053438640 /nfs/dbraw/zinc/43/86/40/1053438640.db2.gz SZDQBRXECXWGDQ-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC001229959239 1053440989 /nfs/dbraw/zinc/44/09/89/1053440989.db2.gz ZQPARIIAPJITKW-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC001229959239 1053441003 /nfs/dbraw/zinc/44/10/03/1053441003.db2.gz ZQPARIIAPJITKW-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@@H](Oc1cc(C(=O)c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC001230454208 1053542141 /nfs/dbraw/zinc/54/21/41/1053542141.db2.gz SFODFDJVRLOIAG-LLVKDONJSA-N -1 3 316.784 4.454 20 0 DIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263091278 1053604063 /nfs/dbraw/zinc/60/40/63/1053604063.db2.gz AIHRPTUTBDQOON-SCVCMEIPSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263091275 1053604796 /nfs/dbraw/zinc/60/47/96/1053604796.db2.gz AIHRPTUTBDQOON-JFGNBEQYSA-N -1 3 316.228 4.097 20 0 DIADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc21 ZINC001231072654 1053666653 /nfs/dbraw/zinc/66/66/53/1053666653.db2.gz DXLRPWNREGKJBO-ZDUSSCGKSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC001231074810 1053666975 /nfs/dbraw/zinc/66/69/75/1053666975.db2.gz YEDMHCQINGCIHN-LLVKDONJSA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1ccccc1Oc1ccccc1[O-])c1ncccn1 ZINC001231219235 1053704149 /nfs/dbraw/zinc/70/41/49/1053704149.db2.gz STHFJRACRSQHAJ-ZDUSSCGKSA-N -1 3 308.337 4.115 20 0 DIADHM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153634920 1053704699 /nfs/dbraw/zinc/70/46/99/1053704699.db2.gz YXLPSXMWWKENGJ-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM [O-]c1ccccc1Oc1ccccc1O[C@H]1COc2cnccc21 ZINC001231222512 1053705423 /nfs/dbraw/zinc/70/54/23/1053705423.db2.gz GLYKGISXNJQGBA-IBGZPJMESA-N -1 3 321.332 4.092 20 0 DIADHM [O-]c1ccc(CN2CCc3ccsc3C2)cc1C(F)(F)F ZINC001231522878 1053778083 /nfs/dbraw/zinc/77/80/83/1053778083.db2.gz LOBCRKJNTAVQMS-UHFFFAOYSA-N -1 3 313.344 4.031 20 0 DIADHM [O-]c1ccc(CN(Cc2ccco2)C2CC2)cc1C(F)(F)F ZINC001231526083 1053781272 /nfs/dbraw/zinc/78/12/72/1053781272.db2.gz LOBZVGITEBFYEG-UHFFFAOYSA-N -1 3 311.303 4.169 20 0 DIADHM O=C(OCc1nc2ccccc2s1)c1cccc(Cl)c1[O-] ZINC001354178676 1053791007 /nfs/dbraw/zinc/79/10/07/1053791007.db2.gz MGDKFRYTOAPURR-UHFFFAOYSA-N -1 3 319.769 4.012 20 0 DIADHM CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C)cc1[O-] ZINC001300560092 1053809513 /nfs/dbraw/zinc/80/95/13/1053809513.db2.gz INVMDOBZFCEQPP-OAQYLSRUSA-N -1 3 323.436 4.328 20 0 DIADHM [O-]c1cc(CN2CCC(Oc3ccccc3)CC2)ccc1Cl ZINC001231733330 1053840371 /nfs/dbraw/zinc/84/03/71/1053840371.db2.gz SEBVAPQTKYWQBC-UHFFFAOYSA-N -1 3 317.816 4.089 20 0 DIADHM COc1cccc([C@H]2CCCN2Cc2ccc(Cl)c([O-])c2)c1 ZINC001231736275 1053846209 /nfs/dbraw/zinc/84/62/09/1053846209.db2.gz GXZKEQZFEDVAGH-QGZVFWFLSA-N -1 3 317.816 4.391 20 0 DIADHM Cc1cccc2nc([N-][C@H](C[C@@H]3CCCO3)C(F)(F)F)oc21 ZINC001327723270 1053874752 /nfs/dbraw/zinc/87/47/52/1053874752.db2.gz ZODUMKGJHWMBIP-CMPLNLGQSA-N -1 3 314.307 4.048 20 0 DIADHM COc1ccccc1C1(N[C@@H](C)c2cccc([O-])c2F)CCC1 ZINC001329644214 1054002839 /nfs/dbraw/zinc/00/28/39/1054002839.db2.gz VDNUYZYYJXOSIA-ZDUSSCGKSA-N -1 3 315.388 4.270 20 0 DIADHM CN(CCc1cccc(Cl)c1)Cc1cccc([O-])c1Cl ZINC001232787834 1054118856 /nfs/dbraw/zinc/11/88/56/1054118856.db2.gz COODDQUPJVURBF-UHFFFAOYSA-N -1 3 310.224 4.374 20 0 DIADHM CCN(Cc1cccc(OC)c1)Cc1cccc([O-])c1Cl ZINC001232789070 1054122708 /nfs/dbraw/zinc/12/27/08/1054122708.db2.gz VAULWOSIPABQQP-UHFFFAOYSA-N -1 3 305.805 4.076 20 0 DIADHM Cc1ccc(C)c(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000622272246 1054136845 /nfs/dbraw/zinc/13/68/45/1054136845.db2.gz OHZROHDJLPMFMX-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@@H](c3ccccc3)C2)c1F ZINC001232936540 1054153755 /nfs/dbraw/zinc/15/37/55/1054153755.db2.gz SNNIGBDQOJBHLO-CQSZACIVSA-N -1 3 303.352 4.050 20 0 DIADHM CC1(c2ccccc2)CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232941454 1054154203 /nfs/dbraw/zinc/15/42/03/1054154203.db2.gz YGLWAEUPYKJOPC-UHFFFAOYSA-N -1 3 317.379 4.224 20 0 DIADHM CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCC1 ZINC000622311310 1054165779 /nfs/dbraw/zinc/16/57/79/1054165779.db2.gz SKEDVLVFHIBESM-UHFFFAOYSA-N -1 3 323.436 4.388 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C)c([O-])c1C ZINC000622318609 1054170506 /nfs/dbraw/zinc/17/05/06/1054170506.db2.gz UXEBYIUWHLHSSL-UHFFFAOYSA-N -1 3 313.397 4.357 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccc(C)s2)C(C)C)c([O-])c1 ZINC000622329099 1054174858 /nfs/dbraw/zinc/17/48/58/1054174858.db2.gz ZATGCASYIZJQQR-UHFFFAOYSA-N -1 3 317.454 4.375 20 0 DIADHM CCc1cccc(C(=O)N(Cc2cccc(F)c2)C(C)C)c1[O-] ZINC000622327814 1054174901 /nfs/dbraw/zinc/17/49/01/1054174901.db2.gz VVPFTYGFBZVWQN-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)c1F ZINC001233055009 1054176512 /nfs/dbraw/zinc/17/65/12/1054176512.db2.gz JCWAIOQBCCQENJ-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM CC(C)CC(=O)Nc1ccc(NCc2ccc([O-])c(F)c2)cc1 ZINC001334140391 1054182207 /nfs/dbraw/zinc/18/22/07/1054182207.db2.gz IQOROCKQKLTXPS-UHFFFAOYSA-N -1 3 316.376 4.128 20 0 DIADHM CCc1ccc(C(=O)N2CCCC3(CCCCC3)C2)c([O-])c1 ZINC000622367760 1054194492 /nfs/dbraw/zinc/19/44/92/1054194492.db2.gz YAXICZGPYFTUBW-UHFFFAOYSA-N -1 3 301.430 4.141 20 0 DIADHM Cc1c(F)cccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622405210 1054204227 /nfs/dbraw/zinc/20/42/27/1054204227.db2.gz JXBNIYFILCYKHA-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM O=C(c1cc2c(cc1[O-])CCCC2)N(CC1CC1)c1ccccc1 ZINC000622420767 1054211479 /nfs/dbraw/zinc/21/14/79/1054211479.db2.gz CBECAIMWQUQQIU-UHFFFAOYSA-N -1 3 321.420 4.328 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c([O-])c1 ZINC000622419803 1054211836 /nfs/dbraw/zinc/21/18/36/1054211836.db2.gz XFVHBQHNRPWSQX-NRFANRHFSA-N -1 3 323.436 4.186 20 0 DIADHM [S-]c1ccc(CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC001233261534 1054218811 /nfs/dbraw/zinc/21/88/11/1054218811.db2.gz SFZSIMKLTLMICC-QGZVFWFLSA-N -1 3 301.480 4.265 20 0 DIADHM CCC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622429766 1054221008 /nfs/dbraw/zinc/22/10/08/1054221008.db2.gz LVUIAMJYMRMMKX-LLVKDONJSA-N -1 3 315.335 4.063 20 0 DIADHM O=C([N-]c1nocc1C1CC1)c1cc(Cl)sc1Cl ZINC001438997351 1054228463 /nfs/dbraw/zinc/22/84/63/1054228463.db2.gz QSVUCHNXXOIZJE-UHFFFAOYSA-N -1 3 303.170 4.173 20 0 DIADHM CC[C@@H]1c2ccccc2CCN1Cc1c(F)ccc([O-])c1F ZINC001233396478 1054258796 /nfs/dbraw/zinc/25/87/96/1054258796.db2.gz FIOCQZHRIKSAKK-MRXNPFEDSA-N -1 3 303.352 4.180 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1F ZINC001233396164 1054259713 /nfs/dbraw/zinc/25/97/13/1054259713.db2.gz NCFXYNHNLJAJOR-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC(c3cccs3)CC2)c1F ZINC001233395526 1054260808 /nfs/dbraw/zinc/26/08/08/1054260808.db2.gz AKSXYZRCKHSZAY-UHFFFAOYSA-N -1 3 309.381 4.112 20 0 DIADHM COc1cccc([C@@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001473003806 1054263873 /nfs/dbraw/zinc/26/38/73/1054263873.db2.gz KSTKYKDHEFUYBN-LLVKDONJSA-N -1 3 316.426 4.063 20 0 DIADHM CCC[C@@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622509783 1054264800 /nfs/dbraw/zinc/26/48/00/1054264800.db2.gz MOHBZFHLDGASAS-CYBMUJFWSA-N -1 3 315.335 4.206 20 0 DIADHM Cc1ccc(F)c2oc(C(=O)[N-]c3cnoc3C(C)C)cc21 ZINC001337409992 1054268171 /nfs/dbraw/zinc/26/81/71/1054268171.db2.gz RAOIPWTWHMKDKJ-UHFFFAOYSA-N -1 3 302.305 4.244 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000622514014 1054268538 /nfs/dbraw/zinc/26/85/38/1054268538.db2.gz ISIPPDOJSPKJBW-OAHLLOKOSA-N -1 3 301.430 4.133 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)NC1CCC2(CCCCC2)CC1 ZINC000622548215 1054283337 /nfs/dbraw/zinc/28/33/37/1054283337.db2.gz VEWNCFPZFLERQT-UHFFFAOYSA-N -1 3 319.420 4.083 20 0 DIADHM CC1CCC(C)(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000622571700 1054295640 /nfs/dbraw/zinc/29/56/40/1054295640.db2.gz FFBZGUYAFIPWAS-UHFFFAOYSA-N -1 3 321.436 4.187 20 0 DIADHM CCN(CC1CCC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622574417 1054297392 /nfs/dbraw/zinc/29/73/92/1054297392.db2.gz NTQNTNXTEZHLJH-UHFFFAOYSA-N -1 3 323.436 4.245 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC(C(F)(F)F)C(F)(F)F ZINC001233591617 1054302945 /nfs/dbraw/zinc/30/29/45/1054302945.db2.gz HUBQASKKZDGIMP-UHFFFAOYSA-N -1 3 308.605 4.226 20 0 DIADHM COC(=O)c1ccc([C@@H](C)Oc2cc(Cl)c([O-])cc2C)cc1 ZINC001233592766 1054305205 /nfs/dbraw/zinc/30/52/05/1054305205.db2.gz OSTWBQOFTLNZDV-LLVKDONJSA-N -1 3 320.772 4.281 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001233596481 1054306093 /nfs/dbraw/zinc/30/60/93/1054306093.db2.gz ZULWIDXYATZTDE-SHTZXODSSA-N -1 3 318.800 4.481 20 0 DIADHM COc1cccc2c1[C@H](Oc1cc(Cl)c([O-])cc1C)CCO2 ZINC001233592773 1054306364 /nfs/dbraw/zinc/30/63/64/1054306364.db2.gz OTGSJKNUMBGEQR-OAHLLOKOSA-N -1 3 320.772 4.265 20 0 DIADHM CC(C)(F)c1cc([N-]C(=O)c2cc(Cl)sc2Cl)no1 ZINC001440299458 1054347644 /nfs/dbraw/zinc/34/76/44/1054347644.db2.gz QDKHAZJXWVRXLG-UHFFFAOYSA-N -1 3 323.176 4.500 20 0 DIADHM CC(C)(C)C1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622684472 1054328256 /nfs/dbraw/zinc/32/82/56/1054328256.db2.gz GNCNUFHQJIDATF-UHFFFAOYSA-N -1 3 323.436 4.101 20 0 DIADHM Cc1ccc(Cl)cc1[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233676986 1054328669 /nfs/dbraw/zinc/32/86/69/1054328669.db2.gz BYIGXDRMECMDNI-NSHDSACASA-N -1 3 302.757 4.364 20 0 DIADHM CCC[C@@H](Oc1ccc2occ([O-])c2c1)c1ccc(OC)cc1 ZINC001233680733 1054330297 /nfs/dbraw/zinc/33/02/97/1054330297.db2.gz MZDOPKQSULUQMF-GOSISDBHSA-N -1 3 312.365 4.191 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC001440521118 1054355188 /nfs/dbraw/zinc/35/51/88/1054355188.db2.gz PXVIIHAQLUFITM-UHFFFAOYSA-N -1 3 309.337 4.268 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC001440830194 1054370579 /nfs/dbraw/zinc/37/05/79/1054370579.db2.gz QLSHDJUZBMRVOC-UHFFFAOYSA-N -1 3 324.424 4.333 20 0 DIADHM CCC(C)(C)C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001441010469 1054376561 /nfs/dbraw/zinc/37/65/61/1054376561.db2.gz YXAIBIDLEAXTCK-UHFFFAOYSA-N -1 3 321.436 4.185 20 0 DIADHM [O-]c1cccc(O[C@H]2CC[C@H](OCc3ccccc3)C2)c1F ZINC001233869277 1054376956 /nfs/dbraw/zinc/37/69/56/1054376956.db2.gz FHRPUZWTTSGKQX-GJZGRUSLSA-N -1 3 302.345 4.048 20 0 DIADHM [O-]c1cccc(O[C@H]2CC=C[C@@H]2COCc2ccccc2)c1F ZINC001233868403 1054377402 /nfs/dbraw/zinc/37/74/02/1054377402.db2.gz RVFAWBUJWOITBC-WBVHZDCISA-N -1 3 314.356 4.072 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001441112418 1054382842 /nfs/dbraw/zinc/38/28/42/1054382842.db2.gz WGIZHCGMHUYSKQ-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(CCC(C)C)CCC(C)C)c1 ZINC001441121373 1054382987 /nfs/dbraw/zinc/38/29/87/1054382987.db2.gz CLXOJRXUYLUXRB-UHFFFAOYSA-N -1 3 305.462 4.489 20 0 DIADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001441189945 1054386178 /nfs/dbraw/zinc/38/61/78/1054386178.db2.gz JUGGUPHJUXCYIB-BXUZGUMPSA-N -1 3 303.427 4.306 20 0 DIADHM CCCOc1cc(C)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001441814014 1054399540 /nfs/dbraw/zinc/39/95/40/1054399540.db2.gz DQJZRSAXCVBNQT-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001442180626 1054411521 /nfs/dbraw/zinc/41/15/21/1054411521.db2.gz KJGFSGFVYSBCSS-SFHVURJKSA-N -1 3 309.409 4.241 20 0 DIADHM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC001442331366 1054416500 /nfs/dbraw/zinc/41/65/00/1054416500.db2.gz RHAWFXDQLLHOIU-CYBMUJFWSA-N -1 3 313.397 4.439 20 0 DIADHM CCCn1ccc2cc(NC(=O)c3cc(C)ccc3[O-])ccc21 ZINC001442529369 1054423492 /nfs/dbraw/zinc/42/34/92/1054423492.db2.gz ZBFJTCAIUHIFRA-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC001442554567 1054426004 /nfs/dbraw/zinc/42/60/04/1054426004.db2.gz SHRCFGOTFXAFMA-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM CCN(C(=O)c1cccc(OC)c1[O-])c1ccc2ccccc2c1 ZINC001442651571 1054430362 /nfs/dbraw/zinc/43/03/62/1054430362.db2.gz SLWXEDRYXUUGLQ-UHFFFAOYSA-N -1 3 321.376 4.221 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cscc1C(F)(F)F ZINC000622844232 1054431359 /nfs/dbraw/zinc/43/13/59/1054431359.db2.gz WHFCQKQPGKPGEC-UHFFFAOYSA-N -1 3 316.304 4.193 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c([O-])c1 ZINC001443768841 1054457343 /nfs/dbraw/zinc/45/73/43/1054457343.db2.gz GVJQZHWGACSETL-LJQANCHMSA-N -1 3 311.425 4.390 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2C)c([O-])c1 ZINC001444248931 1054471728 /nfs/dbraw/zinc/47/17/28/1054471728.db2.gz PIMPBWAEZWWGHZ-GOSISDBHSA-N -1 3 323.436 4.110 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2C)c([O-])c1 ZINC001444248935 1054472216 /nfs/dbraw/zinc/47/22/16/1054472216.db2.gz PIMPBWAEZWWGHZ-SFHVURJKSA-N -1 3 323.436 4.110 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@@H]2CCc3c2nccc3Cl)c1F ZINC001234266103 1054479638 /nfs/dbraw/zinc/47/96/38/1054479638.db2.gz YHFOTLMKHURZRO-LLVKDONJSA-N -1 3 314.143 4.299 20 0 DIADHM C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@@H]1C ZINC001444677501 1054482628 /nfs/dbraw/zinc/48/26/28/1054482628.db2.gz LLRPKDVAJHKGQD-HZPDHXFCSA-N -1 3 323.436 4.244 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC001445167331 1054498480 /nfs/dbraw/zinc/49/84/80/1054498480.db2.gz UDWAFIHOAXCILS-CABCVRRESA-N -1 3 311.425 4.438 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)ccc2NC(C)C)c1 ZINC001445226128 1054499634 /nfs/dbraw/zinc/49/96/34/1054499634.db2.gz RXKCNDQMWGPGNN-UHFFFAOYSA-N -1 3 316.376 4.166 20 0 DIADHM CC(C)c1ccc(C(=O)NC2CCC(C(C)C)CC2)c([O-])c1 ZINC001445634360 1054513547 /nfs/dbraw/zinc/51/35/47/1054513547.db2.gz WPPRLCBLVDJJMQ-UHFFFAOYSA-N -1 3 303.446 4.460 20 0 DIADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1OC1CC=CC1 ZINC001234379226 1054513699 /nfs/dbraw/zinc/51/36/99/1054513699.db2.gz FWGDVKBONMXYCX-UHFFFAOYSA-N -1 3 320.344 4.263 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(Cl)c1Cl ZINC000174885496 1054516748 /nfs/dbraw/zinc/51/67/48/1054516748.db2.gz JCVUCUCAFGLEPF-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)c1c(Cl)cncc1Cl ZINC001234445531 1054523473 /nfs/dbraw/zinc/52/34/73/1054523473.db2.gz ANBYZWNPEZILSZ-SSDOTTSWSA-N -1 3 324.167 4.110 20 0 DIADHM Cc1cccc(OC[C@@H](C)Oc2c([O-])cc(Cl)cc2F)c1 ZINC001234443293 1054523704 /nfs/dbraw/zinc/52/37/04/1054523704.db2.gz FXBYJNACKUDMCV-LLVKDONJSA-N -1 3 310.752 4.339 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@H]1CCc2c1nccc2Cl ZINC001234446498 1054524476 /nfs/dbraw/zinc/52/44/76/1054524476.db2.gz GAFPSVYLXKRUKI-LBPRGKRZSA-N -1 3 314.143 4.299 20 0 DIADHM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2cccc([O-])c2F)C1(C)C ZINC001446243011 1054530947 /nfs/dbraw/zinc/53/09/47/1054530947.db2.gz VKINAHJUYZSHPY-GOCTYOJASA-N -1 3 305.393 4.488 20 0 DIADHM O=C(Cc1coc2cc(Cl)ccc12)Nc1cccc([O-])c1F ZINC001446241431 1054531774 /nfs/dbraw/zinc/53/17/74/1054531774.db2.gz PRTXFOXYXZPTKR-UHFFFAOYSA-N -1 3 319.719 4.112 20 0 DIADHM CCC(CC)[C@H](CCNC(=O)c1ccc(C(C)C)cc1[O-])OC ZINC001446501787 1054537176 /nfs/dbraw/zinc/53/71/76/1054537176.db2.gz CEPITSIAWIOHCO-SFHVURJKSA-N -1 3 321.461 4.087 20 0 DIADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447273484 1054558203 /nfs/dbraw/zinc/55/82/03/1054558203.db2.gz JHEVLFSLMJMDLH-ZDUSSCGKSA-N -1 3 303.789 4.253 20 0 DIADHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001447277736 1054559850 /nfs/dbraw/zinc/55/98/50/1054559850.db2.gz ZTANNDTXJLEBQP-LSDHHAIUSA-N -1 3 315.800 4.350 20 0 DIADHM Cc1cc(C)c(NC(=O)c2cc3sccc3c([O-])c2)cc1O ZINC001447373302 1054563492 /nfs/dbraw/zinc/56/34/92/1054563492.db2.gz FIKARCJMHYBYPA-UHFFFAOYSA-N -1 3 313.378 4.182 20 0 DIADHM O=C(NC12CCC(CC1)C2)c1cc(Cc2ccccc2)ccc1[O-] ZINC001447627316 1054568298 /nfs/dbraw/zinc/56/82/98/1054568298.db2.gz IZEYFBVGSMYMIX-UHFFFAOYSA-N -1 3 321.420 4.046 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(C(F)F)c(F)c1 ZINC001546000189 1054574347 /nfs/dbraw/zinc/57/43/47/1054574347.db2.gz FKROXLDEPFHOCS-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM Cc1cccc2c1CC[C@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690075 1054578083 /nfs/dbraw/zinc/57/80/83/1054578083.db2.gz WPCQLDNAAJNXNH-QGZVFWFLSA-N -1 3 318.376 4.224 20 0 DIADHM COc1cc([O-])c(C)c(O[C@H](C)c2cccs2)c1C(C)=O ZINC001234791537 1054591060 /nfs/dbraw/zinc/59/10/60/1054591060.db2.gz ODRCJUYMPUEBFX-LLVKDONJSA-N -1 3 306.383 4.113 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N(CC1CC1)CC1CCC1 ZINC001448408759 1054596612 /nfs/dbraw/zinc/59/66/12/1054596612.db2.gz CGKWCLHAONPVKE-UHFFFAOYSA-N -1 3 315.438 4.259 20 0 DIADHM CCCN(Cc1c(Br)ccc([O-])c1F)[C@@H](C)CC ZINC001238304576 1054602430 /nfs/dbraw/zinc/60/24/30/1054602430.db2.gz GBOLQSHKWZRTDU-JTQLQIEISA-N -1 3 318.230 4.304 20 0 DIADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1cc(-c2ccccc2)no1 ZINC001234855008 1054603071 /nfs/dbraw/zinc/60/30/71/1054603071.db2.gz PITOZZYNHJOHAF-SNVBAGLBSA-N -1 3 311.366 4.419 20 0 DIADHM C[C@H](Oc1nc2ccsc2[n-]1)c1cc(-c2ccccc2)no1 ZINC001234854999 1054603414 /nfs/dbraw/zinc/60/34/14/1054603414.db2.gz PITOZZYNHJOHAF-JTQLQIEISA-N -1 3 311.366 4.419 20 0 DIADHM Cc1ccc(COc2nc3ccsc3[n-]2)c(OC(C)C)c1 ZINC001234856119 1054605002 /nfs/dbraw/zinc/60/50/02/1054605002.db2.gz WCTOIYMEJNLLGC-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM Cc1ccc(COc2nc3sccc3[n-]2)c(OC(C)C)c1 ZINC001234856119 1054605011 /nfs/dbraw/zinc/60/50/11/1054605011.db2.gz WCTOIYMEJNLLGC-UHFFFAOYSA-N -1 3 302.399 4.299 20 0 DIADHM CC(C)c1ccc(C(=O)NC(C2CCC2)C2CCC2)c([O-])c1 ZINC001449165602 1054614307 /nfs/dbraw/zinc/61/43/07/1054614307.db2.gz XBZLOXLISHEDEE-UHFFFAOYSA-N -1 3 301.430 4.214 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CC)c(Cl)c2)c1 ZINC001449145388 1054614747 /nfs/dbraw/zinc/61/47/47/1054614747.db2.gz FEJPHMGHVUEJMS-UHFFFAOYSA-N -1 3 303.789 4.423 20 0 DIADHM COc1ccc2cc(NC(=O)c3cc(C)ccc3[O-])ccc2c1 ZINC001449232845 1054616828 /nfs/dbraw/zinc/61/68/28/1054616828.db2.gz YEIKTCOQVGDSAP-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM CC(F)(F)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC001449798219 1054628382 /nfs/dbraw/zinc/62/83/82/1054628382.db2.gz ZWGWWVTULNRLKK-UHFFFAOYSA-N -1 3 311.715 4.410 20 0 DIADHM O=C([N-]OCCC1CC1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001450210401 1054639541 /nfs/dbraw/zinc/63/95/41/1054639541.db2.gz KSCXNBJZOJPFSX-UHFFFAOYSA-N -1 3 321.848 4.291 20 0 DIADHM O=C([N-]OCC1CC1)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC001450201343 1054639376 /nfs/dbraw/zinc/63/93/76/1054639376.db2.gz UWGBQVPFEPKMBG-UHFFFAOYSA-N -1 3 321.848 4.291 20 0 DIADHM Cc1nc2ccc(C(=O)Nc3c([O-])cccc3Cl)cc2s1 ZINC001450263475 1054643920 /nfs/dbraw/zinc/64/39/20/1054643920.db2.gz SHXGYJOMPWKNJJ-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM CCc1cccc(C(=O)N2CC(c3ccccc3)(C(C)C)C2)c1[O-] ZINC001451656519 1054683391 /nfs/dbraw/zinc/68/33/91/1054683391.db2.gz QGNVSMYRKCTYAS-UHFFFAOYSA-N -1 3 323.436 4.004 20 0 DIADHM Cc1cc(-c2ncccc2NC(=O)c2ccc(C)cc2[O-])cs1 ZINC001358452664 1054684678 /nfs/dbraw/zinc/68/46/78/1054684678.db2.gz VYWWNYDPMUFLPS-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1cccc(C)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655863 1054694092 /nfs/dbraw/zinc/69/40/92/1054694092.db2.gz IKWXPATVDYFNLS-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccsc1 ZINC001452565206 1054707231 /nfs/dbraw/zinc/70/72/31/1054707231.db2.gz MSSDNDOSYAYXPP-UHFFFAOYSA-N -1 3 323.417 4.321 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H](C)C2)c([O-])c1 ZINC001452864615 1054720706 /nfs/dbraw/zinc/72/07/06/1054720706.db2.gz MRNAXNJPJSKGOT-HNNXBMFYSA-N -1 3 323.436 4.318 20 0 DIADHM CC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC001453556449 1054739433 /nfs/dbraw/zinc/73/94/33/1054739433.db2.gz RWNLRXWWPNNKFU-KRWDZBQOSA-N -1 3 311.381 4.103 20 0 DIADHM CC(C)c1ncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC000180341184 1054751648 /nfs/dbraw/zinc/75/16/48/1054751648.db2.gz IRGDLCYWLOZHEV-UHFFFAOYSA-N -1 3 316.760 4.450 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cnc(OCc3ccccc3)cn2)c1 ZINC001235898160 1054837661 /nfs/dbraw/zinc/83/76/61/1054837661.db2.gz BLIFRDZJABMCPT-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc(Oc3cccc(F)c3)ncn2)c1 ZINC001235898427 1054837797 /nfs/dbraw/zinc/83/77/97/1054837797.db2.gz HMDSGKSNCYMMKH-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncc(OCc3ccccc3)cn2)c1 ZINC001235901948 1054839143 /nfs/dbraw/zinc/83/91/43/1054839143.db2.gz ZZOXSRAAINBNOZ-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccnc(Cc3ccc(F)cc3)n2)c1 ZINC001235901302 1054839339 /nfs/dbraw/zinc/83/93/39/1054839339.db2.gz SSGHKXYUBACGQW-UHFFFAOYSA-N -1 3 314.747 4.233 20 0 DIADHM O=c1c(-c2cc([O-])cc(Cl)c2)cccn1-c1ccccc1F ZINC001235904297 1054842478 /nfs/dbraw/zinc/84/24/78/1054842478.db2.gz LJZCAGBVJWKCGQ-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM CC[C@@H](NCc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186121778 1054930478 /nfs/dbraw/zinc/93/04/78/1054930478.db2.gz XZNAAYXRQLTRBG-SNVBAGLBSA-N -1 3 317.241 4.396 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001236100207 1054944129 /nfs/dbraw/zinc/94/41/29/1054944129.db2.gz CZONBFLFTOMWDY-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(Cl)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001236100207 1054944141 /nfs/dbraw/zinc/94/41/41/1054944141.db2.gz CZONBFLFTOMWDY-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM Cc1csc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)n1 ZINC000183647661 1055052603 /nfs/dbraw/zinc/05/26/03/1055052603.db2.gz VMYJKLOXMTYOAW-UHFFFAOYSA-N -1 3 319.389 4.022 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1[O-] ZINC001587142452 1055227633 /nfs/dbraw/zinc/22/76/33/1055227633.db2.gz DMTWKQHKZLGHFM-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM [O-]c1cc(CN2CCCC3(CCCC3)C2)ccc1Br ZINC001236683115 1055228592 /nfs/dbraw/zinc/22/85/92/1055228592.db2.gz GXHACDLHNIDFRG-UHFFFAOYSA-N -1 3 324.262 4.311 20 0 DIADHM [O-]c1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)ccc1F ZINC001236701908 1055231494 /nfs/dbraw/zinc/23/14/94/1055231494.db2.gz JCYWKJLQTRDKSE-UHFFFAOYSA-N -1 3 317.791 4.474 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H]2c2cc(F)cc(F)c2)ccc1F ZINC001236713052 1055236124 /nfs/dbraw/zinc/23/61/24/1055236124.db2.gz LUYACZGCOLWUOP-MRXNPFEDSA-N -1 3 307.315 4.147 20 0 DIADHM CN(Cc1ccc(F)c([O-])c1)Cc1c(Cl)cccc1Cl ZINC001236706098 1055237888 /nfs/dbraw/zinc/23/78/88/1055237888.db2.gz RYVAMDZNZPINAD-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM [O-]c1cc(CN2CC[C@H](c3ccccc3)C(F)(F)C2)ccc1F ZINC001236715455 1055240043 /nfs/dbraw/zinc/24/00/43/1055240043.db2.gz YENPQOPICOIEHR-OAHLLOKOSA-N -1 3 321.342 4.156 20 0 DIADHM CC(C)CCc1nnc([N-]C(=O)c2cc(Cl)cs2)s1 ZINC001587253868 1055253113 /nfs/dbraw/zinc/25/31/13/1055253113.db2.gz UILVCWUXKKHGOL-UHFFFAOYSA-N -1 3 315.851 4.094 20 0 DIADHM C/C=C(/C=C/C(=O)Nc1ccc(Br)cc1[O-])CC ZINC000764840660 1055274215 /nfs/dbraw/zinc/27/42/15/1055274215.db2.gz LVQFWKVEEXLYHE-ZVBUZHGDSA-N -1 3 310.191 4.006 20 0 DIADHM O=C(NCCCCc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC001587696705 1055347887 /nfs/dbraw/zinc/34/78/87/1055347887.db2.gz XRNFFSLDIGXDDH-UHFFFAOYSA-N -1 3 319.404 4.298 20 0 DIADHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001587739212 1055355630 /nfs/dbraw/zinc/35/56/30/1055355630.db2.gz CFRUVSLVPBXQPB-NVXWUHKLSA-N -1 3 321.486 4.310 20 0 DIADHM CC(C)CC1CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC001587774616 1055362539 /nfs/dbraw/zinc/36/25/39/1055362539.db2.gz DJHWFWBHJSCAIQ-UHFFFAOYSA-N -1 3 303.446 4.414 20 0 DIADHM CN(Cc1sc(=O)[n-]c1Cl)Cc1ccc2ccccc2c1 ZINC001237169381 1055391636 /nfs/dbraw/zinc/39/16/36/1055391636.db2.gz NCOLCWOQEGPXEZ-UHFFFAOYSA-N -1 3 318.829 4.287 20 0 DIADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1occc1[S-] ZINC001237186917 1055398293 /nfs/dbraw/zinc/39/82/93/1055398293.db2.gz VWXLRELNFYBUPA-CQSZACIVSA-N -1 3 303.427 4.052 20 0 DIADHM FC1(F)CN(Cc2occc2[S-])CC[C@@H]1Cc1ccccc1 ZINC001237188857 1055399841 /nfs/dbraw/zinc/39/98/41/1055399841.db2.gz XXYKZBDIJLSENK-CQSZACIVSA-N -1 3 323.408 4.268 20 0 DIADHM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1cc([O-])cc(F)c1 ZINC001237288439 1055418635 /nfs/dbraw/zinc/41/86/35/1055418635.db2.gz YPQKCUDQBYRZGD-GOSISDBHSA-N -1 3 315.388 4.015 20 0 DIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCc2ccccc21 ZINC000471621903 1055451420 /nfs/dbraw/zinc/45/14/20/1055451420.db2.gz YCGADABPWMQULN-LJQANCHMSA-N -1 3 317.388 4.305 20 0 DIADHM Cc1cccc(C(=O)Nc2cnccc2-c2ccc(F)cc2)c1[O-] ZINC001588463086 1055472985 /nfs/dbraw/zinc/47/29/85/1055472985.db2.gz AQTHQLIJQFCZOZ-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM COc1ccc2c(c1)[C@@H](NCc1cccc([O-])c1Cl)CCC2 ZINC001620868244 1055496786 /nfs/dbraw/zinc/49/67/86/1055496786.db2.gz VPNCJNUPMGGUEV-INIZCTEOSA-N -1 3 317.816 4.221 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1C1CCCC1 ZINC000471796870 1055536971 /nfs/dbraw/zinc/53/69/71/1055536971.db2.gz FKGVOCLVGSDQFX-GOSISDBHSA-N -1 3 309.409 4.340 20 0 DIADHM CCc1ccc(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC001594718401 1055571818 /nfs/dbraw/zinc/57/18/18/1055571818.db2.gz XPKJYQOBSOVGTQ-BFUOFWGJSA-N -1 3 303.446 4.289 20 0 DIADHM [O-]c1c(F)cc(CN2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001237990426 1055575514 /nfs/dbraw/zinc/57/55/14/1055575514.db2.gz SLIJWUXPUWWWMB-AWEZNQCLSA-N -1 3 319.807 4.249 20 0 DIADHM [O-]c1c(F)cc(CN2CCCC3(CC(F)C3)CC2)cc1Cl ZINC001237993499 1055576901 /nfs/dbraw/zinc/57/69/01/1055576901.db2.gz QZNPIFZGTSBBDE-UHFFFAOYSA-N -1 3 315.791 4.289 20 0 DIADHM CN(Cc1ccc(Cl)cc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237990874 1055577745 /nfs/dbraw/zinc/57/77/45/1055577745.db2.gz ZYXLAWXBIGVBPA-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM CCN(Cc1ccc(OC)cc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237987073 1055578826 /nfs/dbraw/zinc/57/88/26/1055578826.db2.gz AJXHGGHEDMYOES-UHFFFAOYSA-N -1 3 323.795 4.215 20 0 DIADHM O=C(NCCC1CC=CC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001595163240 1055581283 /nfs/dbraw/zinc/58/12/83/1055581283.db2.gz XJCAUHQHSQGLOY-UHFFFAOYSA-N -1 3 321.420 4.069 20 0 DIADHM O=C([N-]c1ccccc1SC(F)F)c1cc(C2CC2)on1 ZINC000026392996 1055591001 /nfs/dbraw/zinc/59/10/01/1055591001.db2.gz HYKPTOWGLIMQBY-UHFFFAOYSA-N -1 3 310.325 4.119 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001595539457 1055607932 /nfs/dbraw/zinc/60/79/32/1055607932.db2.gz MLVIUWKNBSHNOD-AUUYWEPGSA-N -1 3 309.409 4.178 20 0 DIADHM [O-]c1cc(F)c(CN2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001238153141 1055613919 /nfs/dbraw/zinc/61/39/19/1055613919.db2.gz XMFHZMMNFAHGRR-AWEZNQCLSA-N -1 3 319.807 4.249 20 0 DIADHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(C2CCCC2)c1 ZINC001595588987 1055614604 /nfs/dbraw/zinc/61/46/04/1055614604.db2.gz GEJFOXFCOUSCEH-UHFFFAOYSA-N -1 3 313.372 4.119 20 0 DIADHM CC[C@@H]1c2ccccc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC001238238007 1055627025 /nfs/dbraw/zinc/62/70/25/1055627025.db2.gz JSTJQCAPRGDIEV-GOSISDBHSA-N -1 3 313.372 4.033 20 0 DIADHM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1[O-] ZINC000036625147 1055661920 /nfs/dbraw/zinc/66/19/20/1055661920.db2.gz BMQFTZAIFOJOKB-CYBMUJFWSA-N -1 3 319.813 4.013 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CCC2(C1)CCCCC2 ZINC000472203773 1055701242 /nfs/dbraw/zinc/70/12/42/1055701242.db2.gz HPUNMXUYTFKTSE-UHFFFAOYSA-N -1 3 309.409 4.342 20 0 DIADHM CCCC[C@@H]1CCC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001565558267 1055710479 /nfs/dbraw/zinc/71/04/79/1055710479.db2.gz VPESXKLFLBAHIO-WBVHZDCISA-N -1 3 321.436 4.329 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2Cc2ccccc2C)c1 ZINC001565788398 1055728497 /nfs/dbraw/zinc/72/84/97/1055728497.db2.gz LKFVMZONPDEVGB-SFHVURJKSA-N -1 3 323.436 4.110 20 0 DIADHM CCc1ccc(C(=O)NC(C)(C)c2cccc(Cl)c2)c([O-])c1 ZINC001565899901 1055734636 /nfs/dbraw/zinc/73/46/36/1055734636.db2.gz TWEKAFFOPWMEDR-UHFFFAOYSA-N -1 3 317.816 4.273 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c([O-])c1 ZINC001566018346 1055741005 /nfs/dbraw/zinc/74/10/05/1055741005.db2.gz YPPKIPQPDOTHCE-CJNGLKHVSA-N -1 3 313.397 4.161 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c([O-])c1 ZINC001566219396 1055751754 /nfs/dbraw/zinc/75/17/54/1055751754.db2.gz ZUIMHHSJTJLUGG-CJNGLKHVSA-N -1 3 303.446 4.460 20 0 DIADHM Cc1cccc(C2(C(=O)Nc3cc(Cl)ccc3[O-])CCC2)c1 ZINC001566638310 1055778570 /nfs/dbraw/zinc/77/85/70/1055778570.db2.gz BJGDAZGMHDPGTL-UHFFFAOYSA-N -1 3 315.800 4.414 20 0 DIADHM Cc1ccc(C(=O)Nc2nc(Cc3ccccc3)cs2)c([O-])c1 ZINC001566765306 1055781602 /nfs/dbraw/zinc/78/16/02/1055781602.db2.gz GCROAIHPCWWAHY-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c1[O-] ZINC001566883717 1055785605 /nfs/dbraw/zinc/78/56/05/1055785605.db2.gz UHQFXQFFDLPVDA-SCLBCKFNSA-N -1 3 309.409 4.008 20 0 DIADHM Cc1cc(-c2ccc3c(c2)[N-]C(=S)C3)cnc1OCC(C)C ZINC001238924041 1055790052 /nfs/dbraw/zinc/79/00/52/1055790052.db2.gz DMHKBDVEEQJPHX-UHFFFAOYSA-N -1 3 312.438 4.387 20 0 DIADHM Cc1cccc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c1[O-] ZINC001567486213 1055805314 /nfs/dbraw/zinc/80/53/14/1055805314.db2.gz ZPWGJISHPFNOAU-UHFFFAOYSA-N -1 3 321.323 4.018 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)Cc2ccccc2F)c([O-])c1 ZINC001597230513 1055805368 /nfs/dbraw/zinc/80/53/68/1055805368.db2.gz CMIYUGXPTCLPDV-CYBMUJFWSA-N -1 3 315.388 4.016 20 0 DIADHM CC(C)[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001567710549 1055814524 /nfs/dbraw/zinc/81/45/24/1055814524.db2.gz QVASCRGIIWCSNF-LBPRGKRZSA-N -1 3 303.427 4.115 20 0 DIADHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001568348713 1055835801 /nfs/dbraw/zinc/83/58/01/1055835801.db2.gz ZJWBLCLHJZWKSI-DOTOQJQBSA-N -1 3 309.409 4.027 20 0 DIADHM O=C(N[C@H]1CCCC2(CC2)C1)c1cc2sccc2c([O-])c1 ZINC001597682476 1055864126 /nfs/dbraw/zinc/86/41/26/1055864126.db2.gz QGPQMYVXZHDIDI-LBPRGKRZSA-N -1 3 301.411 4.060 20 0 DIADHM O=C(Cc1cccc(Cl)c1F)Nc1c([O-])cccc1Cl ZINC001569682764 1055869635 /nfs/dbraw/zinc/86/96/35/1055869635.db2.gz SXCKELGAODMECJ-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCCCC[C@H](C(=O)Nc1cccc(C(C)=O)c1[O-])C(C)C ZINC001569924949 1055878200 /nfs/dbraw/zinc/87/82/00/1055878200.db2.gz KYASTNNOYSASAK-AWEZNQCLSA-N -1 3 305.418 4.386 20 0 DIADHM O=C(Cc1ccc(C2CCCCC2)cc1)[N-]OC/C=C\Cl ZINC001570049052 1055883042 /nfs/dbraw/zinc/88/30/42/1055883042.db2.gz CBZJYBDFJZBJLU-WCIBSUBMSA-N -1 3 307.821 4.077 20 0 DIADHM O=C(c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1)C(F)(F)F ZINC001239392239 1055886570 /nfs/dbraw/zinc/88/65/70/1055886570.db2.gz QDUKNIDHGGUXPC-UHFFFAOYSA-N -1 3 321.323 4.394 20 0 DIADHM O=C(c1ccccc1[O-])N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC001570128202 1055886756 /nfs/dbraw/zinc/88/67/56/1055886756.db2.gz ILKKPBFMRCLGTQ-GOSISDBHSA-N -1 3 307.393 4.150 20 0 DIADHM O=C(c1ccccc1[O-])N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC001570128203 1055887060 /nfs/dbraw/zinc/88/70/60/1055887060.db2.gz ILKKPBFMRCLGTQ-SFHVURJKSA-N -1 3 307.393 4.150 20 0 DIADHM CC(C)[C@H]1N(C(=O)c2cc([O-])ccc2Cl)CC12CCCCC2 ZINC001570191575 1055890520 /nfs/dbraw/zinc/89/05/20/1055890520.db2.gz OLHPNQIACWZRQO-MRXNPFEDSA-N -1 3 321.848 4.477 20 0 DIADHM Cc1ccc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c([O-])c1 ZINC001597957806 1055898073 /nfs/dbraw/zinc/89/80/73/1055898073.db2.gz HMOSLAIBSINPGE-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM CCc1cccc(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1[O-] ZINC001597966481 1055898681 /nfs/dbraw/zinc/89/86/81/1055898681.db2.gz RKFNMNTWGKVLPD-GOSISDBHSA-N -1 3 323.436 4.497 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001570575473 1055908823 /nfs/dbraw/zinc/90/88/23/1055908823.db2.gz CHLJCQRCYVWZFM-MJGOQNOKSA-N -1 3 323.436 4.499 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c([O-])c1 ZINC000065024553 1055936176 /nfs/dbraw/zinc/93/61/76/1055936176.db2.gz VIJPFCYGUCWISU-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1 ZINC000065321618 1055945495 /nfs/dbraw/zinc/94/54/95/1055945495.db2.gz CKAJWAVNAMHMFL-SFHVURJKSA-N -1 3 323.436 4.104 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC001620786977 1055962162 /nfs/dbraw/zinc/96/21/62/1055962162.db2.gz CVRVTTTXWYJTKR-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000019806546 1055971435 /nfs/dbraw/zinc/97/14/35/1055971435.db2.gz BLJGAAZHVMQGJW-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1nc(C(C)C)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145405 1055988255 /nfs/dbraw/zinc/98/82/55/1055988255.db2.gz HWFUWXSDIWSFEW-UHFFFAOYSA-N -1 3 310.806 4.186 20 0 DIADHM CC(C)c1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001621025911 1055990493 /nfs/dbraw/zinc/99/04/93/1055990493.db2.gz MOTKPCKUMDHJFS-UHFFFAOYSA-N -1 3 307.397 4.313 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccc(Cl)c(Cl)c1 ZINC001540364109 1056021537 /nfs/dbraw/zinc/02/15/37/1056021537.db2.gz YJUBLLRELUDDAN-UHFFFAOYSA-N -1 3 314.143 4.019 20 0 DIADHM CCCCC1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)CC1 ZINC001583168199 1056031797 /nfs/dbraw/zinc/03/17/97/1056031797.db2.gz AJDWPKAFIYBINR-UHFFFAOYSA-N -1 3 317.429 4.074 20 0 DIADHM CCc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c([O-])c1 ZINC001540534604 1056042103 /nfs/dbraw/zinc/04/21/03/1056042103.db2.gz FUFQNTZSVSHXFV-UHFFFAOYSA-N -1 3 323.436 4.196 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCc1ccccc1 ZINC001540601242 1056049931 /nfs/dbraw/zinc/04/99/31/1056049931.db2.gz QPOSXXGXDZUADE-DOTOQJQBSA-N -1 3 309.409 4.224 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC001540621436 1056051656 /nfs/dbraw/zinc/05/16/56/1056051656.db2.gz DFVRGDSUGGBEHK-GOSISDBHSA-N -1 3 309.409 4.104 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCc3cc(C(C)C)ccc3C2)c1 ZINC001608027906 1056054506 /nfs/dbraw/zinc/05/45/06/1056054506.db2.gz FJDCYOPTFDKKRH-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM CC(C)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC001540635219 1056055514 /nfs/dbraw/zinc/05/55/14/1056055514.db2.gz LIGUZLJEGCDRAD-MRXNPFEDSA-N -1 3 303.789 4.173 20 0 DIADHM CCC[C@](C)(CC)C(=O)Nc1ccc(Br)cc1[O-] ZINC001540786263 1056075522 /nfs/dbraw/zinc/07/55/22/1056075522.db2.gz TYLZRXQNJQNEDL-AWEZNQCLSA-N -1 3 314.223 4.310 20 0 DIADHM CC1(C)C[C@@]1(C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1 ZINC001610901321 1056076703 /nfs/dbraw/zinc/07/67/03/1056076703.db2.gz YLQMYTFAZQOIFL-SFHVURJKSA-N -1 3 315.800 4.352 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1 ZINC001540830346 1056082394 /nfs/dbraw/zinc/08/23/94/1056082394.db2.gz ADOSWPRPOOPVPJ-JGGQBBKZSA-N -1 3 319.470 4.155 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC001542082059 1056102737 /nfs/dbraw/zinc/10/27/37/1056102737.db2.gz NRTIOPCPPXZTQE-AWEZNQCLSA-N -1 3 321.420 4.425 20 0 DIADHM CCCCCCOc1ccc(CC(=O)[N-]OC(C)(C)C)cc1 ZINC001611058645 1056103234 /nfs/dbraw/zinc/10/32/34/1056103234.db2.gz BRVRWIWAGUPBDP-UHFFFAOYSA-N -1 3 307.434 4.035 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001542504699 1056128860 /nfs/dbraw/zinc/12/88/60/1056128860.db2.gz HEPSSRBDRQGNCE-VNQPRFMTSA-N -1 3 303.446 4.139 20 0 DIADHM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2Cl)c([O-])c1 ZINC001611341205 1056144403 /nfs/dbraw/zinc/14/44/03/1056144403.db2.gz HUFTYLWCWRTSQU-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM O=C(Nc1cnc2c(c1)CCCC2)c1cc2sccc2c([O-])c1 ZINC001611553556 1056171489 /nfs/dbraw/zinc/17/14/89/1056171489.db2.gz VELRPZKMTFRLLD-UHFFFAOYSA-N -1 3 324.405 4.133 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc(CCC(C)C)cc2)c1 ZINC001583898254 1056198652 /nfs/dbraw/zinc/19/86/52/1056198652.db2.gz LAKMRMYBOCXZLL-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM CCCCNC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001239988731 1056226487 /nfs/dbraw/zinc/22/64/87/1056226487.db2.gz ASFCLPYRXUAVQL-UHFFFAOYSA-N -1 3 324.449 4.179 20 0 DIADHM CCCCOc1cccc(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC001543475553 1056232972 /nfs/dbraw/zinc/23/29/72/1056232972.db2.gz HTGIPYVMPXVFTG-UHFFFAOYSA-N -1 3 313.397 4.386 20 0 DIADHM CCCCOc1ccc(NC(=O)c2ccc(C)cc2[O-])c(C)c1 ZINC001543542716 1056247774 /nfs/dbraw/zinc/24/77/74/1056247774.db2.gz NHQGIQZGMPKRIW-UHFFFAOYSA-N -1 3 313.397 4.440 20 0 DIADHM CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccccc1[O-] ZINC001584097843 1056262466 /nfs/dbraw/zinc/26/24/66/1056262466.db2.gz YMHRMJHJHCQFPN-HXUWFJFHSA-N -1 3 309.409 4.020 20 0 DIADHM O=c1[n-]c(N[C@H]2CCNc3ccccc32)c(Cl)cc1Cl ZINC001168638044 1056295619 /nfs/dbraw/zinc/29/56/19/1056295619.db2.gz HDJHSTPDQJUWFI-LBPRGKRZSA-N -1 3 310.184 4.063 20 0 DIADHM CC1(C(=O)Nc2ccc(Br)cc2[O-])CCCCC1 ZINC001543857813 1056314744 /nfs/dbraw/zinc/31/47/44/1056314744.db2.gz FSTXYILGXRTTDU-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC001543888873 1056320946 /nfs/dbraw/zinc/32/09/46/1056320946.db2.gz ILSJDHGAMRHZMM-UHFFFAOYSA-N -1 3 317.388 4.459 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCCC23CCCCC3)c([O-])c1 ZINC001584477686 1056353793 /nfs/dbraw/zinc/35/37/93/1056353793.db2.gz QOXNOZUSRRABQI-KRWDZBQOSA-N -1 3 301.430 4.187 20 0 DIADHM COc1ccc([C@@H](C)S[C@H](C)c2nc(C)cc(=O)[n-]2)cc1 ZINC001613501780 1056385248 /nfs/dbraw/zinc/38/52/48/1056385248.db2.gz PYEWBYXRLNRNDE-VXGBXAGGSA-N -1 3 304.415 4.055 20 0 DIADHM Fc1ccccc1COc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001240263668 1056397497 /nfs/dbraw/zinc/39/74/97/1056397497.db2.gz BUUIHICWULOUEK-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM CC(C)c1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)c([O-])c1 ZINC001544633885 1056471039 /nfs/dbraw/zinc/47/10/39/1056471039.db2.gz QDXCDCSZMFBHKW-MLGOLLRUSA-N -1 3 313.397 4.162 20 0 DIADHM Cc1cc2occ(CC(=O)[N-]OCC3CCC3)c2cc1C(C)C ZINC001585091888 1056482302 /nfs/dbraw/zinc/48/23/02/1056482302.db2.gz MLVBUMQIUOGXSD-UHFFFAOYSA-N -1 3 315.413 4.255 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001544805937 1056504647 /nfs/dbraw/zinc/50/46/47/1056504647.db2.gz OMEIINAADIDXEF-KRWDZBQOSA-N -1 3 315.800 4.331 20 0 DIADHM O=C([N-]c1c(F)ccnc1F)c1ccc(-c2ccc(F)cc2)o1 ZINC001544857663 1056514633 /nfs/dbraw/zinc/51/46/33/1056514633.db2.gz CCGNBQSDSICKGX-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC001585621323 1056595692 /nfs/dbraw/zinc/59/56/92/1056595692.db2.gz VEFOKHOUJSXJHF-INIZCTEOSA-N -1 3 301.430 4.133 20 0 DIADHM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000008911090 1056694796 /nfs/dbraw/zinc/69/47/96/1056694796.db2.gz YEMBSFCPIQUQPT-LLVKDONJSA-N -1 3 321.829 4.306 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240787534 1056696839 /nfs/dbraw/zinc/69/68/39/1056696839.db2.gz JUMJWYYRNNDWNQ-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM COC(=O)c1cc2ccc(-c3ccc([O-])c(F)c3)cc2s1 ZINC001240785803 1056697123 /nfs/dbraw/zinc/69/71/23/1056697123.db2.gz OWGIDKSNHWXJBO-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1C(F)(F)F ZINC001240785598 1056697330 /nfs/dbraw/zinc/69/73/30/1056697330.db2.gz HVVZGOZGPPQPRE-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1ccc([O-])c(F)c1 ZINC001240786888 1056698112 /nfs/dbraw/zinc/69/81/12/1056698112.db2.gz ZWCWPTPLYPRUBP-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM COc1cc(-c2ccc([O-])c(F)c2)ccc1OC(F)(F)F ZINC001240788199 1056700060 /nfs/dbraw/zinc/70/00/60/1056700060.db2.gz DMZSFSRRTYPPMX-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1ccc(-c2ccc3nnc(-c4ccc(F)cc4)n3c2)cc1F ZINC001240790966 1056701116 /nfs/dbraw/zinc/70/11/16/1056701116.db2.gz SUUFJROMAQUISS-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM O=C(N[C@@H]1CC=CCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001586471184 1056742918 /nfs/dbraw/zinc/74/29/18/1056742918.db2.gz JAKYENXSBGDEFY-CQSZACIVSA-N -1 3 309.365 4.023 20 0 DIADHM CCCN(C)c1ccccc1NC(=O)c1ccc(CC)cc1[O-] ZINC001586644504 1056772470 /nfs/dbraw/zinc/77/24/70/1056772470.db2.gz VICVKBJZISHOEI-UHFFFAOYSA-N -1 3 312.413 4.053 20 0 DIADHM CCSCc1cccc(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001586684200 1056782383 /nfs/dbraw/zinc/78/23/83/1056782383.db2.gz TYVCJDYAIDNYJU-UHFFFAOYSA-N -1 3 315.438 4.460 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC001617185964 1056789152 /nfs/dbraw/zinc/78/91/52/1056789152.db2.gz ICJATSWVRVYEMQ-QGZVFWFLSA-N -1 3 309.409 4.241 20 0 DIADHM CCn1nc(-c2ccccc2)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212482045 1056794631 /nfs/dbraw/zinc/79/46/31/1056794631.db2.gz XQJXXDBCADRRJM-UHFFFAOYSA-N -1 3 315.323 4.297 20 0 DIADHM CCN(CC)Cc1cccc(-c2cc(C(=O)[O-])ccc2C)c1F ZINC001241005746 1056809575 /nfs/dbraw/zinc/80/95/75/1056809575.db2.gz QYLGLPSWFQXEOM-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM [O-]c1ccccc1-c1nnc(N2CCCCCC2)c2ccccc21 ZINC001241008153 1056813248 /nfs/dbraw/zinc/81/32/48/1056813248.db2.gz LRVGJIZCSKKKLV-UHFFFAOYSA-N -1 3 319.408 4.383 20 0 DIADHM [O-]c1ccccc1-c1cc(-c2nc(-c3ccsc3)no2)ccn1 ZINC001241009358 1056814233 /nfs/dbraw/zinc/81/42/33/1056814233.db2.gz WBPSINMRWCSDJG-UHFFFAOYSA-N -1 3 321.361 4.233 20 0 DIADHM [O-]c1ccccc1-c1ncnc2c(-c3ccccc3)nsc21 ZINC001241008034 1056814575 /nfs/dbraw/zinc/81/45/75/1056814575.db2.gz FBCFQOPUGLIPOV-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM Cc1ccc(-c2cnc3cc(C(F)(F)F)ccc3n2)c([O-])c1 ZINC001241030398 1056830849 /nfs/dbraw/zinc/83/08/49/1056830849.db2.gz JHGAPYTYMSMQBR-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001586913299 1056830943 /nfs/dbraw/zinc/83/09/43/1056830943.db2.gz DPESEHKJNAOACK-AWEZNQCLSA-N -1 3 305.377 4.345 20 0 DIADHM CCOC(=O)c1cc2ccccc2nc1-c1ccc(C)cc1[O-] ZINC001241036104 1056833806 /nfs/dbraw/zinc/83/38/06/1056833806.db2.gz NQIFHXQVJCLTSZ-UHFFFAOYSA-N -1 3 307.349 4.093 20 0 DIADHM CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001617453186 1056833856 /nfs/dbraw/zinc/83/38/56/1056833856.db2.gz RQCRCQXCHWWWGK-QGZVFWFLSA-N -1 3 309.409 4.226 20 0 DIADHM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001617453185 1056833889 /nfs/dbraw/zinc/83/38/89/1056833889.db2.gz RQCRCQXCHWWWGK-KRWDZBQOSA-N -1 3 309.409 4.226 20 0 DIADHM CCC(F)(F)C(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001586933441 1056835229 /nfs/dbraw/zinc/83/52/29/1056835229.db2.gz ARKVHXQBYZUZNJ-UHFFFAOYSA-N -1 3 321.289 4.246 20 0 DIADHM Cc1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC001241083454 1056875627 /nfs/dbraw/zinc/87/56/27/1056875627.db2.gz DGKFTRKEABKKIO-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2cc(F)cc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC001241083454 1056875634 /nfs/dbraw/zinc/87/56/34/1056875634.db2.gz DGKFTRKEABKKIO-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](CC)c2cc(F)ccc2F)c([O-])c1 ZINC001617958362 1056907312 /nfs/dbraw/zinc/90/73/12/1056907312.db2.gz NINJVFHVLGUOLO-INIZCTEOSA-N -1 3 319.351 4.114 20 0 DIADHM Cc1ccc(-c2ccc(F)cc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC001241126232 1056911794 /nfs/dbraw/zinc/91/17/94/1056911794.db2.gz KZJYKKYRTNPHJU-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1ccc(-c2ccc(F)cc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC001241126232 1056911802 /nfs/dbraw/zinc/91/18/02/1056911802.db2.gz KZJYKKYRTNPHJU-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(Cl)c1Cl ZINC001618177206 1056929979 /nfs/dbraw/zinc/92/99/79/1056929979.db2.gz ZQAHWYZJAQKYGM-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM O=C([N-]c1ccc(-c2ccco2)cc1F)c1ocnc1C(F)F ZINC001128462082 1056948751 /nfs/dbraw/zinc/94/87/51/1056948751.db2.gz UTWWYOIEZOPXHI-UHFFFAOYSA-N -1 3 322.242 4.264 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001241247550 1056978714 /nfs/dbraw/zinc/97/87/14/1056978714.db2.gz PYAYRIMNTQUDCU-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241255675 1056983327 /nfs/dbraw/zinc/98/33/27/1056983327.db2.gz AABAUOLRLXBEHE-UHFFFAOYSA-N -1 3 323.327 4.237 20 0 DIADHM [O-]c1cc(F)cc(-c2ncnc3sc4c(c32)CCCC4)c1 ZINC001241256371 1056983470 /nfs/dbraw/zinc/98/34/70/1056983470.db2.gz RNCULNCJXRHUIF-UHFFFAOYSA-N -1 3 300.358 4.082 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3cccnc3)nc3ccccc32)c1 ZINC001241261575 1056985108 /nfs/dbraw/zinc/98/51/08/1056985108.db2.gz BVGQVEKUCLYPAW-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM O=C(Nc1ccccc1)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241271048 1056990184 /nfs/dbraw/zinc/99/01/84/1056990184.db2.gz IZYHSQHWZMZBFW-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM COC(=O)c1cc(-c2cc([O-])cc(F)c2)cc(C(F)(F)F)c1 ZINC001241271664 1056990228 /nfs/dbraw/zinc/99/02/28/1056990228.db2.gz RKDHPKKWFDBKMQ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CCOC(=O)c1cc2cc(-c3cc([O-])cc(F)c3)ccc2o1 ZINC001241272381 1056991242 /nfs/dbraw/zinc/99/12/42/1056991242.db2.gz PLZAJQNSLPNQDH-UHFFFAOYSA-N -1 3 300.285 4.121 20 0 DIADHM CC(C)(C)OC(=O)Cc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241277248 1056993790 /nfs/dbraw/zinc/99/37/90/1056993790.db2.gz IDYQNEQIYUARLE-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM CCOC(=O)[C@H](CC)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241277884 1056993974 /nfs/dbraw/zinc/99/39/74/1056993974.db2.gz RKXILJSLHAUGPG-QGZVFWFLSA-N -1 3 302.345 4.255 20 0 DIADHM FC(F)(F)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001241289153 1056998882 /nfs/dbraw/zinc/99/88/82/1056998882.db2.gz ANSRNMHWVYWCJS-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001241289153 1056998885 /nfs/dbraw/zinc/99/88/85/1056998885.db2.gz ANSRNMHWVYWCJS-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(C)Oc1c(F)cc(-c2c(F)ccc([O-])c2F)cc1F ZINC001241291072 1056999792 /nfs/dbraw/zinc/99/97/92/1056999792.db2.gz INBHDKKXQIDVAE-UHFFFAOYSA-N -1 3 300.251 4.403 20 0 DIADHM [O-]c1ccc(F)c(-c2cccnc2OCc2ccccc2)c1F ZINC001241292717 1057000081 /nfs/dbraw/zinc/00/00/81/1057000081.db2.gz IGGQKTXSVYXTMS-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CCOC(OCC)c1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241293068 1057000413 /nfs/dbraw/zinc/00/04/13/1057000413.db2.gz QHCDJVPPDAHGKE-UHFFFAOYSA-N -1 3 308.324 4.409 20 0 DIADHM COc1cccc2c(-c3c(F)ccc([O-])c3F)cc(C)nc12 ZINC001241293571 1057000640 /nfs/dbraw/zinc/00/06/40/1057000640.db2.gz WORMJLUQKMUAHL-UHFFFAOYSA-N -1 3 301.292 4.203 20 0 DIADHM [O-]c1ccc(F)c(-c2ccc(-c3c[nH]c(=S)[nH]3)cc2)c1F ZINC001241293399 1057001094 /nfs/dbraw/zinc/00/10/94/1057001094.db2.gz VNGHAAUFUKGNHO-UHFFFAOYSA-N -1 3 304.321 4.016 20 0 DIADHM [O-]c1ccc(F)c(-c2ccnc(C3(C(F)(F)F)CC3)c2)c1F ZINC001241294101 1057001327 /nfs/dbraw/zinc/00/13/27/1057001327.db2.gz VCBRVJRIRKHETL-UHFFFAOYSA-N -1 3 315.241 4.326 20 0 DIADHM [O-]c1ccc(F)c(-c2cc(F)ccc2OC(F)(F)F)c1F ZINC001241294460 1057001528 /nfs/dbraw/zinc/00/15/28/1057001528.db2.gz XLUVEOIJKYEAIU-UHFFFAOYSA-N -1 3 308.177 4.375 20 0 DIADHM COc1cc(-c2c(F)ccc([O-])c2F)ccc1-c1ccncc1 ZINC001241295577 1057002198 /nfs/dbraw/zinc/00/21/98/1057002198.db2.gz VELFMOAESFACMA-UHFFFAOYSA-N -1 3 313.303 4.408 20 0 DIADHM Fc1cccc(OCc2ccccc2)c1-c1ccc(=S)[n-]n1 ZINC001241305066 1057005856 /nfs/dbraw/zinc/00/58/56/1057005856.db2.gz RRPWIERHNOHGEM-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM Cc1ccccc1C1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001626442987 1057010532 /nfs/dbraw/zinc/01/05/32/1057010532.db2.gz ACQSTCDVOHEJIW-UHFFFAOYSA-N -1 3 323.436 4.333 20 0 DIADHM O=C([O-])c1ccc(-c2cc(N3CCCCC3)ccn2)cc1Cl ZINC001241346724 1057021843 /nfs/dbraw/zinc/02/18/43/1057021843.db2.gz KKNJQKYRSLJNBC-UHFFFAOYSA-N -1 3 316.788 4.091 20 0 DIADHM FC(F)c1cnc2cc(-c3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC001241446672 1057050354 /nfs/dbraw/zinc/05/03/54/1057050354.db2.gz MKHOYKRJHPQCKN-UHFFFAOYSA-N -1 3 323.306 4.020 20 0 DIADHM FC(F)c1cnc2cc(-c3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC001241446672 1057050360 /nfs/dbraw/zinc/05/03/60/1057050360.db2.gz MKHOYKRJHPQCKN-UHFFFAOYSA-N -1 3 323.306 4.020 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242130233 1057272675 /nfs/dbraw/zinc/27/26/75/1057272675.db2.gz SPYBQSVXDJNCSQ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242130233 1057272679 /nfs/dbraw/zinc/27/26/79/1057272679.db2.gz SPYBQSVXDJNCSQ-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Oc1ccc(C(F)(F)F)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242147929 1057279970 /nfs/dbraw/zinc/27/99/70/1057279970.db2.gz JNXORIFVJLPDBH-UHFFFAOYSA-N -1 3 309.312 4.373 20 0 DIADHM [O-]c1ccc(-c2ccnc(N3CCCC3)c2)cc1C(F)(F)F ZINC001242157180 1057283070 /nfs/dbraw/zinc/28/30/70/1057283070.db2.gz DABCSJKLBDRRCM-UHFFFAOYSA-N -1 3 308.303 4.073 20 0 DIADHM CCOC(=O)Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242157889 1057283376 /nfs/dbraw/zinc/28/33/76/1057283376.db2.gz OBMLNLPEBFUCFQ-UHFFFAOYSA-N -1 3 324.298 4.184 20 0 DIADHM Cc1nnc(-c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2)o1 ZINC001242162331 1057284239 /nfs/dbraw/zinc/28/42/39/1057284239.db2.gz KSXDBYPCJFNTAS-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CCOC(=N)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242165460 1057285640 /nfs/dbraw/zinc/28/56/40/1057285640.db2.gz CUZQVLXGBLNHOG-UHFFFAOYSA-N -1 3 309.287 4.440 20 0 DIADHM COc1c(F)c(F)ccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242167709 1057285851 /nfs/dbraw/zinc/28/58/51/1057285851.db2.gz BGYPXSYOVVMNRV-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCn1nnc2c1ccc(-c1ccc([O-])c(C(F)(F)F)c1)c2C ZINC001242168867 1057286153 /nfs/dbraw/zinc/28/61/53/1057286153.db2.gz WBFCPUTZLZFVMB-UHFFFAOYSA-N -1 3 321.302 4.151 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1ccc(F)cc1[O-] ZINC001242219024 1057297348 /nfs/dbraw/zinc/29/73/48/1057297348.db2.gz VEILMVBZRADSGH-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccnc(OCc2ccc(F)cc2)c1 ZINC001242219310 1057297740 /nfs/dbraw/zinc/29/77/40/1057297740.db2.gz CBWFXGAHVPSODI-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM COc1cc(OC(F)(F)F)ccc1-c1ccc(F)cc1[O-] ZINC001242219418 1057297779 /nfs/dbraw/zinc/29/77/79/1057297779.db2.gz SHVWMTLIKYFWPF-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM [O-]c1cc(F)ccc1-c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001242220681 1057298356 /nfs/dbraw/zinc/29/83/56/1057298356.db2.gz KROSXWNRIKILSW-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM Cc1c(F)c(F)ccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001242306553 1057329817 /nfs/dbraw/zinc/32/98/17/1057329817.db2.gz XKSDRQIXHGANOU-UHFFFAOYSA-N -1 3 306.259 4.038 20 0 DIADHM COc1ccc(-c2cccc(F)c2[O-])c(OC(F)(F)F)c1 ZINC001242351216 1057343049 /nfs/dbraw/zinc/34/30/49/1057343049.db2.gz RULATJKMRRQJBC-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM Cc1cc(OCc2ccccc2)ncc1-c1cccc(F)c1[O-] ZINC001242353804 1057343439 /nfs/dbraw/zinc/34/34/39/1057343439.db2.gz QGYVFMXPOCIHJP-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM CC(=O)c1ccc(Br)cc1Nc1cccc([O-])c1F ZINC001212551159 1057362284 /nfs/dbraw/zinc/36/22/84/1057362284.db2.gz CYHYEXHXWLRRQU-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CC(=O)c1c(Br)cccc1Nc1cccc([O-])c1F ZINC001212552442 1057364470 /nfs/dbraw/zinc/36/44/70/1057364470.db2.gz RQTLWEZQWPWJIF-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CSc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(F)c1 ZINC001242812381 1057488229 /nfs/dbraw/zinc/48/82/29/1057488229.db2.gz VVWDAPXWYQNIJP-UHFFFAOYSA-N -1 3 320.336 4.312 20 0 DIADHM CN(C)/C=C/c1ccncc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242854362 1057500043 /nfs/dbraw/zinc/50/00/43/1057500043.db2.gz CNVWBTSHUQTWMV-GQCTYLIASA-N -1 3 309.196 4.293 20 0 DIADHM CC(C)n1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC000582942259 1057525066 /nfs/dbraw/zinc/52/50/66/1057525066.db2.gz HIKWTQDVLMKEPL-UHFFFAOYSA-N -1 3 311.172 4.656 20 0 DIADHM Fc1ccc(-c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC001243031598 1057551150 /nfs/dbraw/zinc/55/11/50/1057551150.db2.gz BBWQCZKWGPCZKU-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM Fc1ccc(-c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC001243031598 1057551153 /nfs/dbraw/zinc/55/11/53/1057551153.db2.gz BBWQCZKWGPCZKU-UHFFFAOYSA-N -1 3 316.339 4.340 20 0 DIADHM [O-]c1cc(-c2ccc3nnc(-c4ccc(F)cc4)n3c2)ccc1F ZINC001243048322 1057557748 /nfs/dbraw/zinc/55/77/48/1057557748.db2.gz WCYRTSNDKJHNHI-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)c(C(F)(F)F)c1 ZINC001243050832 1057558255 /nfs/dbraw/zinc/55/82/55/1057558255.db2.gz ZHWIIYCAOVYFDN-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM O=C1Cc2ccc(-c3ccc(F)c([O-])c3)cc2N1c1ccccc1 ZINC001243051148 1057558467 /nfs/dbraw/zinc/55/84/67/1057558467.db2.gz OCYQRLIVDAZFAP-UHFFFAOYSA-N -1 3 319.335 4.419 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1ccc(F)c([O-])c1 ZINC001243050001 1057558973 /nfs/dbraw/zinc/55/89/73/1057558973.db2.gz DROYQKKDUSQYJM-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM [O-]c1cc(-c2nc(-c3ccccn3)nc3sccc32)ccc1F ZINC001243049611 1057559056 /nfs/dbraw/zinc/55/90/56/1057559056.db2.gz MBRDDOKGKZDNHG-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM [O-]c1cc(-c2ncnc3cc(OC(F)(F)F)ccc32)ccc1F ZINC001243050565 1057559075 /nfs/dbraw/zinc/55/90/75/1057559075.db2.gz 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1057657572 /nfs/dbraw/zinc/65/75/72/1057657572.db2.gz VEVZSFGPDUPBNV-MZMPZRCHSA-N -1 3 309.409 4.196 20 0 DIADHM CC[C@H](CC(F)(F)F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000525932027 1057657754 /nfs/dbraw/zinc/65/77/54/1057657754.db2.gz CGIGYRHKBHTVGG-GFCCVEGCSA-N -1 3 311.303 4.006 20 0 DIADHM Cn1ccc2cccc(NC(=O)c3cc([O-])c4ccccc4c3)c21 ZINC000526929331 1057659754 /nfs/dbraw/zinc/65/97/54/1057659754.db2.gz IUJCBZUSCVTQTP-UHFFFAOYSA-N -1 3 316.360 4.289 20 0 DIADHM CCCc1csc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000527168104 1057660430 /nfs/dbraw/zinc/66/04/30/1057660430.db2.gz UCBVBGZTSYQMRB-UHFFFAOYSA-N -1 3 312.394 4.207 20 0 DIADHM CC(C)CCn1nccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527165288 1057660861 /nfs/dbraw/zinc/66/08/61/1057660861.db2.gz CQBGMUYLULAKBL-UHFFFAOYSA-N -1 3 323.396 4.040 20 0 DIADHM Cc1ccc(CC[C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527175945 1057661670 /nfs/dbraw/zinc/66/16/70/1057661670.db2.gz MUPHBZATOVTQCM-ZDUSSCGKSA-N -1 3 323.392 4.198 20 0 DIADHM 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CCOc1ccc(-c2ccc(-c3cc(C)c(F)c([O-])c3)nn2)cc1 ZINC001244506487 1057980564 /nfs/dbraw/zinc/98/05/64/1057980564.db2.gz FDTBLOKTTMTZGF-UHFFFAOYSA-N -1 3 324.355 4.362 20 0 DIADHM CCOC(=O)c1cc2c(cccc2-c2cc(C)c(F)c([O-])c2)[nH]1 ZINC001244515690 1057983175 /nfs/dbraw/zinc/98/31/75/1057983175.db2.gz KFARKIVQMYJXIW-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM Cc1cc(-c2cnc3nc(C(F)(F)F)oc3c2)cc([O-])c1F ZINC001244515737 1057983185 /nfs/dbraw/zinc/98/31/85/1057983185.db2.gz LYPNAUAHWSEOAB-UHFFFAOYSA-N -1 3 312.222 4.062 20 0 DIADHM Cc1cc(-c2ncnc3[nH]c4cc(F)ccc4c32)cc([O-])c1F ZINC001244517158 1057983670 /nfs/dbraw/zinc/98/36/70/1057983670.db2.gz JWBYCAGKEHUROY-UHFFFAOYSA-N -1 3 311.291 4.070 20 0 DIADHM CCOC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)cc2cc[nH]c21 ZINC001244520917 1057984229 /nfs/dbraw/zinc/98/42/29/1057984229.db2.gz OMSCFOXEHAPEEZ-UHFFFAOYSA-N -1 3 313.328 4.165 20 0 DIADHM Cc1cc(-c2ccc(OCC(F)(F)F)cc2)cc([O-])c1F ZINC001244521935 1057984432 /nfs/dbraw/zinc/98/44/32/1057984432.db2.gz ZEAWFTWQBUXVFW-UHFFFAOYSA-N -1 3 300.251 4.448 20 0 DIADHM Cc1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)cc([O-])c1F ZINC001244524921 1057985492 /nfs/dbraw/zinc/98/54/92/1057985492.db2.gz IVFRJLCHMYVDBP-UHFFFAOYSA-N -1 3 318.348 4.249 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c(F)c([O-])c2)c2cc[nH]c2c1C ZINC001244525392 1057985504 /nfs/dbraw/zinc/98/55/04/1057985504.db2.gz NKKXTLAMCUZETE-UHFFFAOYSA-N -1 3 313.328 4.083 20 0 DIADHM Cc1cc(-c2cc(C(F)(F)F)[nH]c(=S)n2)cc(Cl)c1[O-] ZINC001244536279 1057989122 /nfs/dbraw/zinc/98/91/22/1057989122.db2.gz IAKCQXRGOYWDCO-UHFFFAOYSA-N -1 3 320.723 4.119 20 0 DIADHM COC(=O)c1cc2[nH]ccc2c(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244546810 1057992994 /nfs/dbraw/zinc/99/29/94/1057992994.db2.gz JHNIJTTUBBNSJG-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM CC(=O)Oc1c[nH]c2ccc(-c3cc(C)c([O-])c(Cl)c3)cc12 ZINC001244548214 1057993102 /nfs/dbraw/zinc/99/31/02/1057993102.db2.gz XYEZWRVEOYZSES-UHFFFAOYSA-N -1 3 315.756 4.428 20 0 DIADHM COC(=O)c1c(F)c(C)ccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244552943 1057994511 /nfs/dbraw/zinc/99/45/11/1057994511.db2.gz AELQLPXMZKPMIU-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM CCOc1ccc(-c2cc(C)c([O-])c(Cl)c2)c(OCC)n1 ZINC001244555648 1057994750 /nfs/dbraw/zinc/99/47/50/1057994750.db2.gz PYXWIOALGCVYOZ-UHFFFAOYSA-N -1 3 307.777 4.213 20 0 DIADHM CC(=O)c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1F ZINC001244703957 1058031616 /nfs/dbraw/zinc/03/16/16/1058031616.db2.gz DVMWZKSTKUGCNH-UHFFFAOYSA-N -1 3 303.333 4.130 20 0 DIADHM Nc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(C(F)(F)F)c1 ZINC001244759384 1058042714 /nfs/dbraw/zinc/04/27/14/1058042714.db2.gz AATDBULGYDRAOJ-UHFFFAOYSA-N -1 3 308.328 4.250 20 0 DIADHM COc1cc(Oc2ccccc2)ccc1-c1ccc(=S)[n-]n1 ZINC001244876420 1058062759 /nfs/dbraw/zinc/06/27/59/1058062759.db2.gz QZWHUHADUPAKAI-UHFFFAOYSA-N -1 3 310.378 4.233 20 0 DIADHM Fc1cccc2oc(-c3cc(C(F)(F)F)[n-]c(=S)n3)cc21 ZINC001244925739 1058072635 /nfs/dbraw/zinc/07/26/35/1058072635.db2.gz BXDZVPHEQUBIRC-UHFFFAOYSA-N -1 3 314.263 4.336 20 0 DIADHM Cc1cc(OC(C)C)c(-c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC001245029937 1058097925 /nfs/dbraw/zinc/09/79/25/1058097925.db2.gz BNBGURGEIXNWBH-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM Cc1cc(OC(C)C)c(-c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC001245029937 1058097930 /nfs/dbraw/zinc/09/79/30/1058097930.db2.gz BNBGURGEIXNWBH-UHFFFAOYSA-N -1 3 322.412 4.246 20 0 DIADHM O=c1c(-c2cc(Cl)ccc2[O-])cccn1-c1ccc(F)cc1 ZINC001245052117 1058103522 /nfs/dbraw/zinc/10/35/22/1058103522.db2.gz BFZYHXJFLMHYQI-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM COc1ccc(-c2ccc(-c3ccc([O-])cc3Cl)nn2)cc1 ZINC001245078380 1058107611 /nfs/dbraw/zinc/10/76/11/1058107611.db2.gz HTXNAMQPQQGQFG-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM [O-]c1ccc(-c2ccc(-c3c(F)cccc3F)nn2)c(Cl)c1 ZINC001245077742 1058107717 /nfs/dbraw/zinc/10/77/17/1058107717.db2.gz CHUZUGYIZZFQFA-UHFFFAOYSA-N -1 3 318.710 4.448 20 0 DIADHM CC(C)(C)C(=O)Nc1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245081834 1058108491 /nfs/dbraw/zinc/10/84/91/1058108491.db2.gz MQQROXNVBPECNE-UHFFFAOYSA-N -1 3 304.777 4.092 20 0 DIADHM COc1ccccc1-c1ccnc(-c2ccc([O-])cc2Cl)n1 ZINC001245080268 1058108559 /nfs/dbraw/zinc/10/85/59/1058108559.db2.gz XKVJGDFDXLYNDC-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM O=c1c(-c2ccc([O-])cc2Cl)cccn1-c1cccc(F)c1 ZINC001245084349 1058108981 /nfs/dbraw/zinc/10/89/81/1058108981.db2.gz ZSJCJPRYNTVNNS-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM Cc1ccc(Cl)cc1NC(=S)Nc1c([O-])cccc1F ZINC001245164862 1058123436 /nfs/dbraw/zinc/12/34/36/1058123436.db2.gz QQEGUYKPAXZBMF-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM CSc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC001545195526 1058185922 /nfs/dbraw/zinc/18/59/22/1058185922.db2.gz FLZGCJRPMXROHF-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM C[C@@H](NC(=S)Nc1c([O-])cccc1Cl)c1ccccc1 ZINC001245519361 1058196002 /nfs/dbraw/zinc/19/60/02/1058196002.db2.gz RVSHCGFERJGLTI-SNVBAGLBSA-N -1 3 306.818 4.093 20 0 DIADHM Cc1cc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1F ZINC001245541879 1058219223 /nfs/dbraw/zinc/21/92/23/1058219223.db2.gz HAZAJVDTHUMYNO-UHFFFAOYSA-N -1 3 306.259 4.038 20 0 DIADHM CCOC(=O)CCCc1cccc(-c2c([O-])cccc2F)c1 ZINC001245657201 1058312462 /nfs/dbraw/zinc/31/24/62/1058312462.db2.gz XCWSLJYUAOBHTI-UHFFFAOYSA-N -1 3 302.345 4.084 20 0 DIADHM [O-]c1cccc(F)c1-c1ccnc(OCc2ccc(F)cc2)c1 ZINC001245656517 1058312574 /nfs/dbraw/zinc/31/25/74/1058312574.db2.gz WRMVZYCXKLUFAO-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM O=C(NCc1ccccc1)c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657108 1058314186 /nfs/dbraw/zinc/31/41/86/1058314186.db2.gz RHOMCFYCPDDRQQ-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM COc1cc(C(=O)OC(C)(C)C)ccc1-c1c([O-])cccc1F ZINC001245654998 1058314664 /nfs/dbraw/zinc/31/46/64/1058314664.db2.gz NTXQBDSUQKNUAB-UHFFFAOYSA-N -1 3 318.344 4.162 20 0 DIADHM COC(=O)c1ccc(-c2c([O-])cccc2F)cc1C(F)(F)F ZINC001245654485 1058314881 /nfs/dbraw/zinc/31/48/81/1058314881.db2.gz SIMKOFWIYSDTTL-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)C1(c2ccc(-c3c([O-])cccc3F)cc2)CCCC1 ZINC001245656946 1058315332 /nfs/dbraw/zinc/31/53/32/1058315332.db2.gz YFSLFSTUIIPFGV-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM Cc1cc(C)c(COC(=O)c2cccc(Cl)c2[O-])c(F)c1 ZINC001519743219 1058470444 /nfs/dbraw/zinc/47/04/44/1058470444.db2.gz MXZITSBUMXXDLU-UHFFFAOYSA-N -1 3 308.736 4.159 20 0 DIADHM CCc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001556081645 1058541554 /nfs/dbraw/zinc/54/15/54/1058541554.db2.gz GDEHEVVXLGITFZ-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001556082036 1058542456 /nfs/dbraw/zinc/54/24/56/1058542456.db2.gz WYYYZKBOTZUZRY-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)c([O-])c1 ZINC001556560208 1058613279 /nfs/dbraw/zinc/61/32/79/1058613279.db2.gz BISSKJYOGXYCFO-OAQYLSRUSA-N -1 3 323.436 4.285 20 0 DIADHM CCC(F)(F)C(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001556655133 1058623365 /nfs/dbraw/zinc/62/33/65/1058623365.db2.gz XGCJVLYOUZJPNY-LBPRGKRZSA-N -1 3 305.727 4.092 20 0 DIADHM COc1c(F)ccc(F)c1C(=O)[N-]c1ccc(C)cc1SC ZINC001529235965 1058648240 /nfs/dbraw/zinc/64/82/40/1058648240.db2.gz HOSWVEXESUKUKX-UHFFFAOYSA-N -1 3 323.364 4.256 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC(C)(C)c3ccccc32)c1 ZINC001556855519 1058655218 /nfs/dbraw/zinc/65/52/18/1058655218.db2.gz GGMIYGNRMZQGHI-UHFFFAOYSA-N -1 3 309.409 4.283 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC001556866209 1058660322 /nfs/dbraw/zinc/66/03/22/1058660322.db2.gz ZIBAOCKUDJCVHX-CYBMUJFWSA-N -1 3 323.367 4.484 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(C)c(C)c2Cl)c1[O-] ZINC001557171766 1058711816 /nfs/dbraw/zinc/71/18/16/1058711816.db2.gz JSMPMYNGPIURHV-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM CC(C)(C)c1ccc(CCC(=O)[N-]Oc2ccc(F)cc2)cc1 ZINC001557412876 1058745317 /nfs/dbraw/zinc/74/53/17/1058745317.db2.gz NJSDEANPNCYKKA-UHFFFAOYSA-N -1 3 315.388 4.166 20 0 DIADHM CC(C)Nc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC001557530086 1058764331 /nfs/dbraw/zinc/76/43/31/1058764331.db2.gz ISTOEENPDRIYJG-UHFFFAOYSA-N -1 3 304.777 4.118 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c([O-])c1 ZINC001557767786 1058790724 /nfs/dbraw/zinc/79/07/24/1058790724.db2.gz FFQZHSRKTMBIBD-MRXNPFEDSA-N -1 3 315.800 4.161 20 0 DIADHM CCCOc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1C ZINC001557773993 1058792629 /nfs/dbraw/zinc/79/26/29/1058792629.db2.gz XWWIMTHDPQONTD-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM Cc1ccc(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)c([O-])c1 ZINC001557831459 1058797194 /nfs/dbraw/zinc/79/71/94/1058797194.db2.gz RDPPMQNGPUSWCS-UHFFFAOYSA-N -1 3 313.372 4.205 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(F)c2C(C)(F)F)c1[O-] ZINC001558029196 1058831124 /nfs/dbraw/zinc/83/11/24/1058831124.db2.gz ZIGIWBWGESPARA-UHFFFAOYSA-N -1 3 323.314 4.458 20 0 DIADHM CCCC1(CCC)CCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001558211345 1058850610 /nfs/dbraw/zinc/85/06/10/1058850610.db2.gz DALFBNWCKFXEHH-UHFFFAOYSA-N -1 3 317.429 4.170 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-c2nccs2)c1 ZINC001558848084 1058916355 /nfs/dbraw/zinc/91/63/55/1058916355.db2.gz LLJSKYMIXHAJJO-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM Cc1ccc(C)c2sc([N-]C(=O)c3ocnc3C(F)F)nc21 ZINC001522936473 1059161587 /nfs/dbraw/zinc/16/15/87/1059161587.db2.gz TVSPIVLCNLJATD-UHFFFAOYSA-N -1 3 323.324 4.091 20 0 DIADHM O=c1cc(CSc2cccc(F)c2)nc(-c2ccccc2)[n-]1 ZINC001559380595 1059195097 /nfs/dbraw/zinc/19/50/97/1059195097.db2.gz JIPWBYXAPGQYSN-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM [O-]c1ccc(NC(=S)Nc2c(F)cccc2F)cc1Cl ZINC001247079728 1059288606 /nfs/dbraw/zinc/28/86/06/1059288606.db2.gz FZMSVZNPYPMPLZ-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM CCCc1cc(C(=O)[N-]c2csnc2-c2ccccc2)no1 ZINC001531876225 1059441095 /nfs/dbraw/zinc/44/10/95/1059441095.db2.gz ORVWACXEIUTHOR-UHFFFAOYSA-N -1 3 313.382 4.003 20 0 DIADHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc2ccccc2c1 ZINC001559608720 1059441782 /nfs/dbraw/zinc/44/17/82/1059441782.db2.gz ZBISVSWSBBUXNR-UHFFFAOYSA-N -1 3 319.408 4.239 20 0 DIADHM Cc1c(Cl)cccc1-c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC001247564279 1059547804 /nfs/dbraw/zinc/54/78/04/1059547804.db2.gz GBEIKSVUCIITPK-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM O=C(O[C@@H](C1CCCC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC001532321229 1059589412 /nfs/dbraw/zinc/58/94/12/1059589412.db2.gz YAHTUFSKXUFCKH-LBPRGKRZSA-N -1 3 322.710 4.324 20 0 DIADHM CC(=O)OCc1cc(Nc2ccc([O-])c(Cl)c2)ccc1C ZINC001248582284 1059901366 /nfs/dbraw/zinc/90/13/66/1059901366.db2.gz CSFDBSPVPUONRH-UHFFFAOYSA-N -1 3 305.761 4.161 20 0 DIADHM O=C([N-][C@H]1C=CCCC1)C(F)(F)c1cc(Cl)ccc1Cl ZINC001534730963 1060354319 /nfs/dbraw/zinc/35/43/19/1060354319.db2.gz OYAMWHVHDXPLII-JTQLQIEISA-N -1 3 320.166 4.310 20 0 DIADHM CC(C)C1CCC(CNc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001560551779 1060359869 /nfs/dbraw/zinc/35/98/69/1060359869.db2.gz DNNSCIOZQFGORZ-UHFFFAOYSA-N -1 3 313.445 4.452 20 0 DIADHM Cc1ccc2[nH]c(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc2c1 ZINC001249844167 1060418689 /nfs/dbraw/zinc/41/86/89/1060418689.db2.gz NKXKIELBVZUSMO-UHFFFAOYSA-N -1 3 304.353 4.111 20 0 DIADHM COC(=O)c1ccc2[nH]c(Nc3cccc(Cl)c3[O-])cc2c1 ZINC001249869104 1060433946 /nfs/dbraw/zinc/43/39/46/1060433946.db2.gz FCKVUEQQNWLCNB-UHFFFAOYSA-N -1 3 316.744 4.057 20 0 DIADHM COC(=O)c1ccc2[nH]c(Nc3cccc([O-])c3Cl)cc2c1 ZINC001249870114 1060434264 /nfs/dbraw/zinc/43/42/64/1060434264.db2.gz FKJNBTZIFMIJCC-UHFFFAOYSA-N -1 3 316.744 4.057 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Br)c(C)cc1CO ZINC001250062833 1060575600 /nfs/dbraw/zinc/57/56/00/1060575600.db2.gz JIRRPYNHNGTXAR-UHFFFAOYSA-N -1 3 322.202 4.007 20 0 DIADHM COc1c(F)c(Cl)ccc1Nc1c(F)cc([O-])cc1F ZINC001250195095 1060673324 /nfs/dbraw/zinc/67/33/24/1060673324.db2.gz GLTYGENZYBBZJW-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM Cc1nc2c(Nc3c(F)ccc([O-])c3Cl)cccn2c1C ZINC001250234256 1060713975 /nfs/dbraw/zinc/71/39/75/1060713975.db2.gz NEEVSFUKPDUFSM-UHFFFAOYSA-N -1 3 305.740 4.193 20 0 DIADHM COc1cc(Nc2cc([O-])c(F)cc2F)c(F)c(F)c1Cl ZINC001250266429 1060742875 /nfs/dbraw/zinc/74/28/75/1060742875.db2.gz KIQQZJSSGLYQAS-UHFFFAOYSA-N -1 3 321.657 4.354 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(CO)c(F)c3Cl)nc21 ZINC001250294420 1060760195 /nfs/dbraw/zinc/76/01/95/1060760195.db2.gz VXUFRCYJWPYWPO-UHFFFAOYSA-N -1 3 324.764 4.030 20 0 DIADHM CC[C@H]1CN(Cc2ccc([O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001560912982 1060774246 /nfs/dbraw/zinc/77/42/46/1060774246.db2.gz OZNCHSMLWBDWFU-LBPRGKRZSA-N -1 3 321.779 4.362 20 0 DIADHM [O-]c1ccc(Cl)cc1-c1nc2c([nH]1)c(F)c(F)c(F)c2F ZINC001250458319 1060815382 /nfs/dbraw/zinc/81/53/82/1060815382.db2.gz VQSCIIDVFLFPNN-UHFFFAOYSA-N -1 3 316.641 4.145 20 0 DIADHM COc1cc(Cl)cc2[nH]c(-c3cc(Cl)ccc3[O-])nc21 ZINC001250457849 1060817400 /nfs/dbraw/zinc/81/74/00/1060817400.db2.gz FBPDFAKPWPVLDB-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)sc1Cl ZINC001561062775 1060908134 /nfs/dbraw/zinc/90/81/34/1060908134.db2.gz ZWOHEMNJZMZWHI-UHFFFAOYSA-N -1 3 323.911 4.203 20 0 DIADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001561197093 1060917745 /nfs/dbraw/zinc/91/77/45/1060917745.db2.gz NVMKKJPGSYDCJR-SNVBAGLBSA-N -1 3 324.273 4.159 20 0 DIADHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001561221984 1060918678 /nfs/dbraw/zinc/91/86/78/1060918678.db2.gz QOFOMAGATXKBJF-QWRGUYRKSA-N -1 3 321.895 4.039 20 0 DIADHM COc1ccc2oc(-c3nc4c([n-]3)c(F)cc(F)c4F)cc2c1 ZINC001250629708 1060962644 /nfs/dbraw/zinc/96/26/44/1060962644.db2.gz OZLKWILYKXHMGW-UHFFFAOYSA-N -1 3 318.254 4.402 20 0 DIADHM Cc1ccc2nc(-c3cc4ccccc4[nH]c3=O)[n-]c2c1Cl ZINC001250645290 1060983607 /nfs/dbraw/zinc/98/36/07/1060983607.db2.gz JWVXARYUBWLDBW-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM Cc1ccc2[n-]c(-c3cc4ccccc4[nH]c3=O)nc2c1Cl ZINC001250645290 1060983623 /nfs/dbraw/zinc/98/36/23/1060983623.db2.gz JWVXARYUBWLDBW-UHFFFAOYSA-N -1 3 309.756 4.446 20 0 DIADHM C[C@H](c1ccccc1)N(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001462222120 1061038059 /nfs/dbraw/zinc/03/80/59/1061038059.db2.gz JXDFZQSCGSYUEQ-GFCCVEGCSA-N -1 3 303.352 4.396 20 0 DIADHM C[C@@H](c1ccccc1)N(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001462222123 1061039203 /nfs/dbraw/zinc/03/92/03/1061039203.db2.gz JXDFZQSCGSYUEQ-LBPRGKRZSA-N -1 3 303.352 4.396 20 0 DIADHM CC(C)(C)n1c2cc(F)ccc2nc1-c1cc(F)ccc1[O-] ZINC001250837079 1061089033 /nfs/dbraw/zinc/08/90/33/1061089033.db2.gz CJZKJUFQXUCLAC-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM CCCn1c(-c2cc(F)ccc2[O-])nc2ccc(F)c(F)c21 ZINC001250837547 1061089714 /nfs/dbraw/zinc/08/97/14/1061089714.db2.gz HLJJPKMSWMEQIO-UHFFFAOYSA-N -1 3 306.287 4.236 20 0 DIADHM [O-]c1ccc(F)cc1-c1nc2ccc(F)c(F)c2n1C1CC1 ZINC001250838231 1061089964 /nfs/dbraw/zinc/08/99/64/1061089964.db2.gz UNMZDSDNCXGUFT-UHFFFAOYSA-N -1 3 304.271 4.161 20 0 DIADHM [O-]c1cccc(Br)c1-c1nc2cc(Cl)ccc2[nH]1 ZINC001250844168 1061093037 /nfs/dbraw/zinc/09/30/37/1061093037.db2.gz WEQODVZIFGRSSX-UHFFFAOYSA-N -1 3 323.577 4.351 20 0 DIADHM CC(C)Cn1c2ccc(Cl)cc2nc1-c1ccncc1[O-] ZINC001250858323 1061096366 /nfs/dbraw/zinc/09/63/66/1061096366.db2.gz WBMDSFPAWBJWTA-UHFFFAOYSA-N -1 3 301.777 4.113 20 0 DIADHM Cn1c2ccc3ncccc3c2nc1-c1c([O-])cccc1Cl ZINC001250863963 1061099537 /nfs/dbraw/zinc/09/95/37/1061099537.db2.gz RJBGLYWRSBHOPC-UHFFFAOYSA-N -1 3 309.756 4.148 20 0 DIADHM COc1ccc2nc(-c3c([O-])cccc3Cl)n(C3CC3)c2c1 ZINC001250863463 1061100683 /nfs/dbraw/zinc/10/06/83/1061100683.db2.gz DSLNEERCAGWFFL-UHFFFAOYSA-N -1 3 314.772 4.406 20 0 DIADHM COCCCn1c2ccccc2nc1-c1cc([O-])cc(Cl)c1 ZINC001250906390 1061118837 /nfs/dbraw/zinc/11/88/37/1061118837.db2.gz NGKYDSTVFINIOS-UHFFFAOYSA-N -1 3 316.788 4.099 20 0 DIADHM [O-]c1cc(-c2nc3ccc(N4CCCC4)cc3[nH]2)ccc1Cl ZINC001251036617 1061193616 /nfs/dbraw/zinc/19/36/16/1061193616.db2.gz IKEBWIGOAKKZPH-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM COc1ccc(C2CC2)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC001455076513 1061206571 /nfs/dbraw/zinc/20/65/71/1061206571.db2.gz HERCGJOIKRMWJE-UHFFFAOYSA-N -1 3 317.772 4.184 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CC[C@]2(C)C2CCCCC2)c1 ZINC001455117215 1061208466 /nfs/dbraw/zinc/20/84/66/1061208466.db2.gz QRAFMJXNRAMTIN-GOSISDBHSA-N -1 3 319.470 4.299 20 0 DIADHM COc1cc([O-])c(-c2nc3ccccc3n2C2CC2)cc1Cl ZINC001251083197 1061229528 /nfs/dbraw/zinc/22/95/28/1061229528.db2.gz RBTGRVZNIQYWPZ-UHFFFAOYSA-N -1 3 314.772 4.406 20 0 DIADHM CC(C)c1ccc2[nH]c(-c3cc(Cl)c([O-])cc3O)nc2c1 ZINC001251083195 1061230391 /nfs/dbraw/zinc/23/03/91/1061230391.db2.gz QYLABQZZJOXYGW-UHFFFAOYSA-N -1 3 302.761 4.418 20 0 DIADHM [O-]c1cnc(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001251252513 1061291287 /nfs/dbraw/zinc/29/12/87/1061291287.db2.gz XWKVJTLZAHXINP-UHFFFAOYSA-N -1 3 314.559 4.291 20 0 DIADHM CCn1c2ccc3ncccc3c2nc1-c1cccc([O-])c1F ZINC001251255542 1061291469 /nfs/dbraw/zinc/29/14/69/1061291469.db2.gz OIOVOORIETXBNX-UHFFFAOYSA-N -1 3 307.328 4.116 20 0 DIADHM CCn1c2ccc(C)cc2nc1-c1ccc(OC)c([O-])c1Cl ZINC001251339476 1061323763 /nfs/dbraw/zinc/32/37/63/1061323763.db2.gz SLHWFAKHWITXEM-UHFFFAOYSA-N -1 3 316.788 4.399 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1nc2c(cc(F)cc2F)[nH]1 ZINC001251349810 1061330185 /nfs/dbraw/zinc/33/01/85/1061330185.db2.gz VUQUOAOFFIHJAI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/52/70/57/1061527057.db2.gz UFAGQSJHNUEVKX-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM COc1ccc(-c2nnc(-c3cc4ccccc4cc3[O-])o2)cc1 ZINC001251958685 1061542797 /nfs/dbraw/zinc/54/27/97/1061542797.db2.gz CGPGWASWLKYSOY-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC001464032451 1061547604 /nfs/dbraw/zinc/54/76/04/1061547604.db2.gz ZXNQFIQGVIECHI-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM CC(C)(C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC001464182964 1061563153 /nfs/dbraw/zinc/56/31/53/1061563153.db2.gz YITNFZKHHPPPGX-MRXNPFEDSA-N -1 3 313.397 4.005 20 0 DIADHM CCC[C@@H](C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001464398098 1061590026 /nfs/dbraw/zinc/59/00/26/1061590026.db2.gz IWVKGXADAQQCRU-SNVBAGLBSA-N -1 3 324.273 4.098 20 0 DIADHM CC[C@H](CNC(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC001464651051 1061618689 /nfs/dbraw/zinc/61/86/89/1061618689.db2.gz QUQQZAKPARLCNK-OAHLLOKOSA-N -1 3 311.425 4.439 20 0 DIADHM Cc1ccc(-c2nnc(-c3c([O-])cnc4ccc(C)cc43)o2)cc1 ZINC001252624609 1061683254 /nfs/dbraw/zinc/68/32/54/1061683254.db2.gz GBQONPRUHFOAJT-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])cc(C(F)(F)F)c3)o2)cc1 ZINC001252690470 1061696126 /nfs/dbraw/zinc/69/61/26/1061696126.db2.gz JWHCCDRYYUTLHC-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CC[C@@]1(C)CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001465405401 1061748603 /nfs/dbraw/zinc/74/86/03/1061748603.db2.gz BVLDXTNRYIQNPD-KRWDZBQOSA-N -1 3 303.427 4.259 20 0 DIADHM Cc1cccc([O-])c1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001252934213 1061755278 /nfs/dbraw/zinc/75/52/78/1061755278.db2.gz SLQFPYFQJWECSP-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM CCc1ccc(-c2nnc(-c3c([O-])cnc4ccccc43)o2)cc1 ZINC001252957056 1061760277 /nfs/dbraw/zinc/76/02/77/1061760277.db2.gz GHJKEHFBGSERKG-UHFFFAOYSA-N -1 3 317.348 4.220 20 0 DIADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465528652 1061770336 /nfs/dbraw/zinc/77/03/36/1061770336.db2.gz 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/nfs/dbraw/zinc/87/98/34/1061879834.db2.gz CSRZDXGUWPTNLU-UHFFFAOYSA-N -1 3 322.339 4.209 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc3ccc(O)cc32)c1[O-] ZINC001466259839 1061906830 /nfs/dbraw/zinc/90/68/30/1061906830.db2.gz ZYZOEXUKDSKCNF-UHFFFAOYSA-N -1 3 307.349 4.066 20 0 DIADHM CC(C)CCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001466294985 1061911619 /nfs/dbraw/zinc/91/16/19/1061911619.db2.gz WWQWDIJMPZDLPU-UHFFFAOYSA-N -1 3 303.324 4.080 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc2c(s1)CCCC2 ZINC001466629908 1061977906 /nfs/dbraw/zinc/97/79/06/1061977906.db2.gz ZNWNABYHFNFOSU-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM CCC1(CC)CN(C(=O)c2ccc(C(C)C)cc2[O-])CCS1 ZINC001466703005 1061987666 /nfs/dbraw/zinc/98/76/66/1061987666.db2.gz AXHBTYHTLCYRRM-UHFFFAOYSA-N -1 3 321.486 4.263 20 0 DIADHM CCOc1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1[O-] ZINC001253812814 1061990831 /nfs/dbraw/zinc/99/08/31/1061990831.db2.gz YJXIEDXZCCFLRP-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM CCc1cccc(C(=O)N2CCC(c3ccccc3C)CC2)c1[O-] ZINC001466757579 1061999984 /nfs/dbraw/zinc/99/99/84/1061999984.db2.gz VIAYEPOWGKNLLK-UHFFFAOYSA-N -1 3 323.436 4.283 20 0 DIADHM C[C@H]1C[C@@H](CC(=O)[N-]OCc2ccc(F)cc2)CC(C)(C)C1 ZINC001466782023 1062005471 /nfs/dbraw/zinc/00/54/71/1062005471.db2.gz QPOOUOOMDQFSJB-ZFWWWQNUSA-N -1 3 307.409 4.226 20 0 DIADHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC2(CCCCC2)CC1 ZINC001466911391 1062022348 /nfs/dbraw/zinc/02/23/48/1062022348.db2.gz NTESKCRTLIEDKW-UHFFFAOYSA-N -1 3 319.420 4.037 20 0 DIADHM COc1cc(NC(=O)c2cc3sccc3c([O-])c2)ccc1F ZINC001466923846 1062025819 /nfs/dbraw/zinc/02/58/19/1062025819.db2.gz STTYJZLQUJQZNA-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM [O-]c1cc2ccccc2c(O)c1-c1nnc(-c2cccc(F)c2)o1 ZINC001254149794 1062033043 /nfs/dbraw/zinc/03/30/43/1062033043.db2.gz GGJXIOMPQYDEJX-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM [O-]c1ccc2ccccc2c1-c1nnc(-c2cccc(F)c2)o1 ZINC001254144778 1062035201 /nfs/dbraw/zinc/03/52/01/1062035201.db2.gz SJOVRAHIDLXBPS-UHFFFAOYSA-N -1 3 306.296 4.402 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nnc(-c4cccc(F)c4)o3)c2c1 ZINC001254150800 1062035938 /nfs/dbraw/zinc/03/59/38/1062035938.db2.gz RCXPXNXRIPRRPR-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1c([O-])cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1F ZINC001254697933 1062234951 /nfs/dbraw/zinc/23/49/51/1062234951.db2.gz QDBZMBWMVRXKAJ-KBPBESRZSA-N -1 3 310.328 4.161 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2c([O-])cccc2Cl)cc1C ZINC001468456309 1062328652 /nfs/dbraw/zinc/32/86/52/1062328652.db2.gz XJHDFQDKOALUEN-UONOGXRCSA-N -1 3 315.800 4.405 20 0 DIADHM CCc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1CC ZINC001468454206 1062329625 /nfs/dbraw/zinc/32/96/25/1062329625.db2.gz DIBCWLPGDLSMHK-UHFFFAOYSA-N -1 3 303.789 4.423 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1C ZINC001469007094 1062458657 /nfs/dbraw/zinc/45/86/57/1062458657.db2.gz BMQJJJGNWAMLJE-UHFFFAOYSA-N -1 3 311.425 4.405 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(F)cc2SC)c1 ZINC001469354889 1062533914 /nfs/dbraw/zinc/53/39/14/1062533914.db2.gz 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1062693220 /nfs/dbraw/zinc/69/32/20/1062693220.db2.gz JMYVAAYVPJKLDT-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc2sccc2c([O-])c1 ZINC001470397888 1062770657 /nfs/dbraw/zinc/77/06/57/1062770657.db2.gz SVTXSEVBEQFGBO-WCQYABFASA-N -1 3 303.427 4.400 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCC2(C)C)c([O-])c1 ZINC001470403239 1062773855 /nfs/dbraw/zinc/77/38/55/1062773855.db2.gz GHQKANHWWCSBLG-HNNXBMFYSA-N -1 3 303.446 4.462 20 0 DIADHM C[C@@H]1C[C@@H]1c1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001256770377 1062971347 /nfs/dbraw/zinc/97/13/47/1062971347.db2.gz AOOGBGUTZAXJAV-DOMZBBRYSA-N -1 3 322.364 4.145 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(OC)ccc2C2CC2)c1[O-] ZINC001471410483 1062975698 /nfs/dbraw/zinc/97/56/98/1062975698.db2.gz QCOIOHXGMVBULG-UHFFFAOYSA-N -1 3 311.381 4.093 20 0 DIADHM Cc1cccc([O-])c1-c1nnc(-c2ccc(OC(C)C)cc2)o1 ZINC001256927442 1063056188 /nfs/dbraw/zinc/05/61/88/1063056188.db2.gz XIGQUORPNCBWMI-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(Cc3ccc([O-])c(F)c3)o2)cc1 ZINC001257197712 1063134280 /nfs/dbraw/zinc/13/42/80/1063134280.db2.gz IHVGBBLSPBASJG-HUUCEWRRSA-N -1 3 324.355 4.085 20 0 DIADHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001257209517 1063140560 /nfs/dbraw/zinc/14/05/60/1063140560.db2.gz LIGZVYOWTRNXFX-JKSUJKDBSA-N -1 3 306.365 4.330 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001257322838 1063201211 /nfs/dbraw/zinc/20/12/11/1063201211.db2.gz BEUPEKALEXUNRE-GJZGRUSLSA-N -1 3 306.365 4.330 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3cc([O-])c(C)c(F)c3)o2)cc1 ZINC001257336035 1063217175 /nfs/dbraw/zinc/21/71/75/1063217175.db2.gz XCLUFTHTOSLLBQ-CABCVRRESA-N -1 3 324.355 4.469 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3c(C)cc(O)cc3[O-])o2)cc1 ZINC001257334578 1063218292 /nfs/dbraw/zinc/21/82/92/1063218292.db2.gz NHAKYORQWXRBIV-CABCVRRESA-N -1 3 322.364 4.036 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)c1 ZINC001258241940 1063580132 /nfs/dbraw/zinc/58/01/32/1063580132.db2.gz FODBGLAKSLYQIH-UHFFFAOYSA-N -1 3 312.756 4.251 20 0 DIADHM CCN(Cc1ccccc1Cl)Cc1c(F)ccc([O-])c1F ZINC001461864622 1063755730 /nfs/dbraw/zinc/75/57/30/1063755730.db2.gz HWUGDPPVTGYEEH-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM CC(C)(C)c1ccc(-c2nnc(CC3CCCC3)o2)c([O-])c1 ZINC001258694781 1063758348 /nfs/dbraw/zinc/75/83/48/1063758348.db2.gz BGUMVTMTNBXIRY-UHFFFAOYSA-N -1 3 300.402 4.472 20 0 DIADHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc([O-])c(F)c1F ZINC001461893998 1063783152 /nfs/dbraw/zinc/78/31/52/1063783152.db2.gz AUYLMYJZMKTSFL-SMDDNHRTSA-N -1 3 321.342 4.188 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)cc1C ZINC001259166938 1063884865 /nfs/dbraw/zinc/88/48/65/1063884865.db2.gz HEGVOXTWTNVUNW-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM O=S(=O)([N-]c1ccccc1-c1ccco1)C1CCCCC1 ZINC001259815708 1063895669 /nfs/dbraw/zinc/89/56/69/1063895669.db2.gz PMWXOKDPCWYNED-UHFFFAOYSA-N -1 3 305.399 4.021 20 0 DIADHM Cc1ccccc1CS(=O)(=O)[N-]c1csc2ccccc12 ZINC001260016305 1063898112 /nfs/dbraw/zinc/89/81/12/1063898112.db2.gz JJYZUAJUKXEUTP-UHFFFAOYSA-N -1 3 317.435 4.152 20 0 DIADHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(C)c1C ZINC001260999057 1063908960 /nfs/dbraw/zinc/90/89/60/1063908960.db2.gz MXVZAXOMFCFCDS-UHFFFAOYSA-N -1 3 317.454 4.229 20 0 DIADHM O=C(OCc1cc(C2CC2)no1)c1cc2cc(Cl)sc2[n-]1 ZINC001261589634 1063938236 /nfs/dbraw/zinc/93/82/36/1063938236.db2.gz LGVKAVCYORHZKD-UHFFFAOYSA-N -1 3 322.773 4.105 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2ccc(-c3ccco3)s2)n1 ZINC001288565287 1064553536 /nfs/dbraw/zinc/55/35/36/1064553536.db2.gz FSUXBDQBHGZJRO-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001290042823 1064676616 /nfs/dbraw/zinc/67/66/16/1064676616.db2.gz NQIQOVJWMPLLDR-QWHCGFSZSA-N -1 3 315.438 4.259 20 0 DIADHM O=C(Nc1ccc2c(c1)CCC2)c1cc([O-])c2ccccc2c1 ZINC001290201738 1064686001 /nfs/dbraw/zinc/68/60/01/1064686001.db2.gz OLEUPSLZJZWNOM-UHFFFAOYSA-N -1 3 303.361 4.286 20 0 DIADHM O=C(Nc1nc2ccccc2s1)c1cc2c(cc1[O-])CCCC2 ZINC001290283582 1064687876 /nfs/dbraw/zinc/68/78/76/1064687876.db2.gz UNHZGYPWVDTKHS-UHFFFAOYSA-N -1 3 324.405 4.133 20 0 DIADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OCc1ccccc1 ZINC001290554263 1064700307 /nfs/dbraw/zinc/70/03/07/1064700307.db2.gz JCSNLHWGWLYJKU-HXUWFJFHSA-N -1 3 311.425 4.139 20 0 DIADHM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1[O-] ZINC001290644791 1064704189 /nfs/dbraw/zinc/70/41/89/1064704189.db2.gz XHNJLRIQJRSCRG-IBGZPJMESA-N -1 3 317.388 4.106 20 0 DIADHM Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])nc1 ZINC001290735719 1064708457 /nfs/dbraw/zinc/70/84/57/1064708457.db2.gz UYRVCJDGCZLCTR-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CCc1ccc(C(=O)N(CC2CCCCC2)C2CC2)c([O-])c1 ZINC001291833146 1064747418 /nfs/dbraw/zinc/74/74/18/1064747418.db2.gz WGPXXSUDDTYCFJ-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1cccc(C(=O)Nc2nc3ccc(C)cc3s2)c1[O-] ZINC001292754843 1064786440 /nfs/dbraw/zinc/78/64/40/1064786440.db2.gz RJBSXFKLDVZQJX-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(N(C)C(C)C)c2)c([O-])c1C ZINC001292872789 1064791217 /nfs/dbraw/zinc/79/12/17/1064791217.db2.gz UDEDVNMGQNLNHU-UHFFFAOYSA-N -1 3 312.413 4.106 20 0 DIADHM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccccc1[O-] ZINC001293316392 1064807924 /nfs/dbraw/zinc/80/79/24/1064807924.db2.gz BICZJVNLJQYGDN-MRXNPFEDSA-N -1 3 323.417 4.168 20 0 DIADHM O=C(Nc1ccsc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001293898665 1064837450 /nfs/dbraw/zinc/83/74/50/1064837450.db2.gz BJKWMFJTYSYGBF-UHFFFAOYSA-N -1 3 323.417 4.491 20 0 DIADHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001294134912 1064849437 /nfs/dbraw/zinc/84/94/37/1064849437.db2.gz QJBKEQZZASEICU-PKOBYXMFSA-N -1 3 323.417 4.067 20 0 DIADHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC001294134909 1064849507 /nfs/dbraw/zinc/84/95/07/1064849507.db2.gz QJBKEQZZASEICU-HKUYNNGSSA-N -1 3 323.417 4.067 20 0 DIADHM CC(C)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C)c([O-])c1 ZINC001294184686 1064854567 /nfs/dbraw/zinc/85/45/67/1064854567.db2.gz SPFVTPJDASLSDY-AWEZNQCLSA-N -1 3 309.409 4.103 20 0 DIADHM Cc1ccc(C(=O)NCC2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC001294631853 1064878316 /nfs/dbraw/zinc/87/83/16/1064878316.db2.gz CVFIAUBWZLEAQG-UHFFFAOYSA-N -1 3 303.446 4.283 20 0 DIADHM CC(C)C[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001294957389 1064891970 /nfs/dbraw/zinc/89/19/70/1064891970.db2.gz ANTNRQHVQKYRTI-OAHLLOKOSA-N -1 3 311.425 4.444 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001295351126 1064909399 /nfs/dbraw/zinc/90/93/99/1064909399.db2.gz PLBBUSXKJPDBPM-UONOGXRCSA-N -1 3 319.763 4.317 20 0 DIADHM CSc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1C ZINC001295733797 1064925348 /nfs/dbraw/zinc/92/53/48/1064925348.db2.gz MHEHFKYJQYLLHS-UHFFFAOYSA-N -1 3 301.411 4.292 20 0 DIADHM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971606 1064933552 /nfs/dbraw/zinc/93/35/52/1064933552.db2.gz FTNUFKGRLHEPCA-PKNBQFBNSA-N -1 3 317.772 4.096 20 0 DIADHM CC(C)Cc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001295971597 1064934492 /nfs/dbraw/zinc/93/44/92/1064934492.db2.gz FJOKRQLRTNZWLW-UHFFFAOYSA-N -1 3 303.789 4.496 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC001296707162 1064955278 /nfs/dbraw/zinc/95/52/78/1064955278.db2.gz JFEXOPWPLMNKIU-SNVBAGLBSA-N -1 3 324.207 4.498 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)c([O-])c1 ZINC001297813059 1064991294 /nfs/dbraw/zinc/99/12/94/1064991294.db2.gz UBNAIKFBTVECPP-WMZOPIPTSA-N -1 3 303.446 4.268 20 0 DIADHM CC[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(C)cc1 ZINC001298307185 1065002293 /nfs/dbraw/zinc/00/22/93/1065002293.db2.gz XAEIYRQSFSGLII-ZDUSSCGKSA-N -1 3 323.396 4.099 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2Cl)c([O-])c1 ZINC001298524731 1065007601 /nfs/dbraw/zinc/00/76/01/1065007601.db2.gz JFBHEOJIOAPXKQ-SNVBAGLBSA-N -1 3 321.779 4.238 20 0 DIADHM Cc1ccccc1C(F)(F)C(=O)Nc1c([O-])cccc1Cl ZINC001298550038 1065008558 /nfs/dbraw/zinc/00/85/58/1065008558.db2.gz DZNGOOBMJYRIOM-UHFFFAOYSA-N -1 3 311.715 4.085 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc2c(ccnc2Cl)o1 ZINC001298549666 1065009168 /nfs/dbraw/zinc/00/91/68/1065009168.db2.gz AIKRWMMJZLQGDN-UHFFFAOYSA-N -1 3 323.135 4.093 20 0 DIADHM O=C(Nc1cccc(C2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC001301499380 1065068917 /nfs/dbraw/zinc/06/89/17/1065068917.db2.gz YWELMHGLPVYUOP-UHFFFAOYSA-N -1 3 320.396 4.258 20 0 DIADHM Cc1ccc2sc(NC(=O)c3cccc(C)c3[O-])nc2c1C ZINC001302461170 1065088062 /nfs/dbraw/zinc/08/80/62/1065088062.db2.gz ZAHJUWHJGIXJFF-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM CC1(C)CCN(C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC001304186262 1065131123 /nfs/dbraw/zinc/13/11/23/1065131123.db2.gz ZCTAJDFCOPMTQD-KRWDZBQOSA-N -1 3 309.409 4.048 20 0 DIADHM Cc1cccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1C ZINC001307424837 1065386213 /nfs/dbraw/zinc/38/62/13/1065386213.db2.gz WGNAADFOFDUDFB-UHFFFAOYSA-N -1 3 319.408 4.102 20 0 DIADHM CCC[C@@H]1CCc2ccccc2N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001307556802 1065480620 /nfs/dbraw/zinc/48/06/20/1065480620.db2.gz HTCGAVYYOQDKEN-QGZVFWFLSA-N -1 3 323.440 4.181 20 0 DIADHM CCCN(Cc1ccc(C)cc1)Cc1ccc([O-])c(F)c1F ZINC001308654348 1066139600 /nfs/dbraw/zinc/13/96/00/1066139600.db2.gz PQYKFJZRWDYMTJ-UHFFFAOYSA-N -1 3 305.368 4.391 20 0 DIADHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC001309348699 1066453462 /nfs/dbraw/zinc/45/34/62/1066453462.db2.gz NJQGKARZSOUQBT-UHFFFAOYSA-N -1 3 321.895 4.040 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C ZINC000003581379 181036971 /nfs/dbraw/zinc/03/69/71/181036971.db2.gz GHOJSXWZJYGXKR-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CC(C)(C)C[C@H](NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417574905 334994711 /nfs/dbraw/zinc/99/47/11/334994711.db2.gz SEBXOXSSUSTBTA-QMMMGPOBSA-N -1 3 310.246 4.034 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@H](CCC(=O)[O-])c1ccccc1 ZINC000417600079 335005450 /nfs/dbraw/zinc/00/54/50/335005450.db2.gz IVVUISXQRFCKIQ-QGZVFWFLSA-N -1 3 317.816 4.344 20 0 DIADHM CCCc1cccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000417618934 335013197 /nfs/dbraw/zinc/01/31/97/335013197.db2.gz DSMMGIDIHKDYRR-MOPGFXCFSA-N -1 3 309.409 4.042 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417628175 335016671 /nfs/dbraw/zinc/01/66/71/335016671.db2.gz OZFNXKPTOAQNOG-DLBZAZTESA-N -1 3 315.800 4.051 20 0 DIADHM Cc1cc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC000417638154 335022087 /nfs/dbraw/zinc/02/20/87/335022087.db2.gz ZVKUVTNMFQPZIC-DOTOQJQBSA-N -1 3 315.800 4.051 20 0 DIADHM CCC[C@H](CCCCNCc1ccc(Cl)cc1F)C(=O)[O-] ZINC000417641271 335025678 /nfs/dbraw/zinc/02/56/78/335025678.db2.gz PHTLTNKUKIDMGB-GFCCVEGCSA-N -1 3 315.816 4.240 20 0 DIADHM CCC[C@H](CCCCNCc1sccc1Cl)C(=O)[O-] ZINC000417641339 335025729 /nfs/dbraw/zinc/02/57/29/335025729.db2.gz PNLIYRTXMDFXOK-LLVKDONJSA-N -1 3 303.855 4.162 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000025365207 182410821 /nfs/dbraw/zinc/41/08/21/182410821.db2.gz YKKYXCSVDMDIKI-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1nc(C2CC2)oc1C(=O)Nc1cc(C(C)(C)C)ccc1[O-] ZINC000273586428 130140509 /nfs/dbraw/zinc/14/05/09/130140509.db2.gz FKNSJBFAZOYMHW-UHFFFAOYSA-N -1 3 314.385 4.116 20 0 DIADHM Cc1ccsc1CN[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000277447674 130612936 /nfs/dbraw/zinc/61/29/36/130612936.db2.gz UYQWRBOOGOJOEM-CYBMUJFWSA-N -1 3 309.818 4.016 20 0 DIADHM COCc1ncc(C(=O)[N-]c2ccccc2SC(C)C)s1 ZINC000285733989 131197354 /nfs/dbraw/zinc/19/73/54/131197354.db2.gz QXHSGIMMFYQOGA-UHFFFAOYSA-N -1 3 322.455 4.042 20 0 DIADHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(CCC(C)C)cc2)on1 ZINC000520140130 335083733 /nfs/dbraw/zinc/08/37/33/335083733.db2.gz BBUHSHBPGHDOLE-AWEZNQCLSA-N -1 3 315.417 4.011 20 0 DIADHM [O-]c1cccnc1CN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000574948818 332858687 /nfs/dbraw/zinc/85/86/87/332858687.db2.gz STPGTCHLNJGKMQ-MRXNPFEDSA-N -1 3 323.223 4.335 20 0 DIADHM [O-]c1ccccc1-c1nc(CSc2ccccc2Cl)no1 ZINC000109479142 331580041 /nfs/dbraw/zinc/58/00/41/331580041.db2.gz PAZWAIZCHPVFQM-UHFFFAOYSA-N -1 3 318.785 4.388 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000530658189 331616105 /nfs/dbraw/zinc/61/61/05/331616105.db2.gz URTPEFSIVRKGRU-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1nc(CC(C)C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000530802741 331626813 /nfs/dbraw/zinc/62/68/13/331626813.db2.gz FKPPPVJJSVUQFZ-UHFFFAOYSA-N -1 3 324.833 4.261 20 0 DIADHM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000533783617 331688962 /nfs/dbraw/zinc/68/89/62/331688962.db2.gz WBHUDGVGFZSNPN-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM CO[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1 ZINC000556423092 331703074 /nfs/dbraw/zinc/70/30/74/331703074.db2.gz POCBMXBFHLOAAZ-CHWSQXEVSA-N -1 3 324.380 4.268 20 0 DIADHM CO[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])c4ccccc34)no2)C1 ZINC000556423096 331703191 /nfs/dbraw/zinc/70/31/91/331703191.db2.gz POCBMXBFHLOAAZ-QWHCGFSZSA-N -1 3 324.380 4.268 20 0 DIADHM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1ccc(Cl)cc1Cl ZINC000087678262 331765029 /nfs/dbraw/zinc/76/50/29/331765029.db2.gz 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/nfs/dbraw/zinc/15/16/48/332151648.db2.gz KFJDMHADIVUBIE-IBGZPJMESA-N -1 3 311.425 4.424 20 0 DIADHM Cc1cc(C)cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426800122 332155131 /nfs/dbraw/zinc/15/51/31/332155131.db2.gz MRMDONZBSSRBBS-QGZVFWFLSA-N -1 3 317.816 4.262 20 0 DIADHM Cc1ccsc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426805570 332155735 /nfs/dbraw/zinc/15/57/35/332155735.db2.gz CQHWXVFULSZMNO-INIZCTEOSA-N -1 3 317.454 4.486 20 0 DIADHM CCC[C@H](C)C[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426817604 332157292 /nfs/dbraw/zinc/15/72/92/332157292.db2.gz CGKYFACDKOKPHL-IINYFYTJSA-N -1 3 318.244 4.363 20 0 DIADHM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000426820398 332157594 /nfs/dbraw/zinc/15/75/94/332157594.db2.gz ZALRGTWMZJIRPK-MRXNPFEDSA-N -1 3 321.779 4.093 20 0 DIADHM C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C1CCCC1 ZINC000426853246 332158516 /nfs/dbraw/zinc/15/85/16/332158516.db2.gz HGGQSSYSMBQRDC-VIFPVBQESA-N -1 3 323.849 4.100 20 0 DIADHM CCc1cc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)ccc1[O-] ZINC000426881808 332159643 /nfs/dbraw/zinc/15/96/43/332159643.db2.gz GGWRTWCSLCULTF-CYBMUJFWSA-N -1 3 315.417 4.011 20 0 DIADHM CC(C)CC[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000569611446 332205088 /nfs/dbraw/zinc/20/50/88/332205088.db2.gz GGWGXOPJQOGZFJ-OAHLLOKOSA-N -1 3 309.837 4.439 20 0 DIADHM [O-]c1cc(F)cc(CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000560071764 332308668 /nfs/dbraw/zinc/30/86/68/332308668.db2.gz GQKRALGGXYEYLT-UHFFFAOYSA-N -1 3 305.780 4.354 20 0 DIADHM CC(F)(F)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000560565628 332360271 /nfs/dbraw/zinc/36/02/71/332360271.db2.gz WKHFQOJDERMJSL-UHFFFAOYSA-N -1 3 313.294 4.072 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1csc2c1CCCC2 ZINC000560819412 332388419 /nfs/dbraw/zinc/38/84/19/332388419.db2.gz BPUINIUPWJOWHI-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM CCOc1cc(C(=O)Nc2c([O-])cccc2Cl)ccc1C ZINC000560821426 332388604 /nfs/dbraw/zinc/38/86/04/332388604.db2.gz GLULAJCIWOPHFI-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000560822309 332388620 /nfs/dbraw/zinc/38/86/20/332388620.db2.gz JVEHDMXTSSUQIS-NXEZZACHSA-N -1 3 307.802 4.158 20 0 DIADHM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C(C)=O)ccc2Cl)on1 ZINC000150843071 332440791 /nfs/dbraw/zinc/44/07/91/332440791.db2.gz LWUBSTKJUKJNEZ-SECBINFHSA-N -1 3 320.776 4.296 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1c(Cl)cncc1Cl ZINC000562032276 332533709 /nfs/dbraw/zinc/53/37/09/332533709.db2.gz AAZKMJDXBARWLJ-UHFFFAOYSA-N -1 3 321.085 4.058 20 0 DIADHM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000562052412 332537513 /nfs/dbraw/zinc/53/75/13/332537513.db2.gz WSSRXXNUZXWADE-UKRRQHHQSA-N -1 3 309.837 4.380 20 0 DIADHM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000562052411 332537543 /nfs/dbraw/zinc/53/75/43/332537543.db2.gz WSSRXXNUZXWADE-HIFRSBDPSA-N -1 3 309.837 4.380 20 0 DIADHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000570120089 332714529 /nfs/dbraw/zinc/71/45/29/332714529.db2.gz 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CC(C)(C)CC[C@H](NCc1csc(Cl)c1Cl)C(=O)[O-] ZINC000414646158 334053335 /nfs/dbraw/zinc/05/33/35/334053335.db2.gz ARDYKZPSZXDZOB-VIFPVBQESA-N -1 3 324.273 4.424 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1cnc(-c2ccccn2)s1 ZINC000187839293 334274463 /nfs/dbraw/zinc/27/44/63/334274463.db2.gz RRDNXFCVQSPUQS-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)c([O-])c1 ZINC000534601025 334296344 /nfs/dbraw/zinc/29/63/44/334296344.db2.gz PPONBMHYSXONQJ-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc2ccccc2o1 ZINC000302933276 334297500 /nfs/dbraw/zinc/29/75/00/334297500.db2.gz GOODWJCXBKTTKK-UHFFFAOYSA-N -1 3 321.254 4.410 20 0 DIADHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000534621615 334302908 /nfs/dbraw/zinc/30/29/08/334302908.db2.gz JQPDIFUXDHNZJM-UHFFFAOYSA-N -1 3 301.345 4.216 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000111210443 334306181 /nfs/dbraw/zinc/30/61/81/334306181.db2.gz HMXOVUHEJPVPIC-UHFFFAOYSA-N -1 3 322.191 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/nfs/dbraw/zinc/30/48/11/335304811.db2.gz YSAJMKMPSRKDMK-VXGBXAGGSA-N -1 3 301.411 4.098 20 0 DIADHM CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000468625294 335357495 /nfs/dbraw/zinc/35/74/95/335357495.db2.gz MUYBLRIFEWBFJB-CQSZACIVSA-N -1 3 321.417 4.183 20 0 DIADHM Cc1ccc(-c2nc(-c3coc4ccccc34)no2)c([O-])c1C ZINC000445532289 338498974 /nfs/dbraw/zinc/49/89/74/338498974.db2.gz HMCKHZGKTRBOFF-UHFFFAOYSA-N -1 3 306.321 4.472 20 0 DIADHM Cc1ccc([O-])c(-c2nc(C(C)(C)c3cccc(F)c3)no2)c1 ZINC000445621444 338502832 /nfs/dbraw/zinc/50/28/32/338502832.db2.gz QORQWVSDGDPEGS-UHFFFAOYSA-N -1 3 312.344 4.216 20 0 DIADHM O=[S@@](Cc1ccc(-c2ccccc2)cc1)c1ccc([O-])cc1 ZINC000519415514 335845691 /nfs/dbraw/zinc/84/56/91/335845691.db2.gz NZSNTJURIAYGKA-QFIPXVFZSA-N -1 3 308.402 4.367 20 0 DIADHM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1[O-] ZINC000536686416 335865415 /nfs/dbraw/zinc/86/54/15/335865415.db2.gz KSFCMGRBKMLQJH-MRXNPFEDSA-N -1 3 319.788 4.088 20 0 DIADHM CCO[C@H](c1noc(/C=C/c2cccc([O-])c2)n1)c1ccccc1 ZINC000445778052 338508443 /nfs/dbraw/zinc/50/84/43/338508443.db2.gz SQGCOQFQWDLWPK-DXRVJIQQSA-N -1 3 322.364 4.072 20 0 DIADHM CC[C@@H](C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)co2)on1 ZINC000351581302 336046874 /nfs/dbraw/zinc/04/68/74/336046874.db2.gz HGLIBMPYDQVOFW-LLVKDONJSA-N -1 3 311.341 4.095 20 0 DIADHM O=C(c1cccc2ccsc21)N1CCCc2cccc([O-])c21 ZINC000395361482 336103260 /nfs/dbraw/zinc/10/32/60/336103260.db2.gz JHIKTFIBPKTCNK-UHFFFAOYSA-N -1 3 309.390 4.200 20 0 DIADHM CCN(Cc1ccccc1C)C(=O)c1cc([O-])ccc1Cl ZINC000352599862 336226463 /nfs/dbraw/zinc/22/64/63/336226463.db2.gz IZYFZURXJDGSIH-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)c1[O-] ZINC000532343151 336242576 /nfs/dbraw/zinc/24/25/76/336242576.db2.gz FAQBBJMVJODMQR-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM COc1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1 ZINC000324791461 336258254 /nfs/dbraw/zinc/25/82/54/336258254.db2.gz KAERHJMUJOHLBL-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1cccc(-c2cncc(C(=O)Nc3ccc(C)cc3[O-])c2)c1 ZINC000532649286 336265740 /nfs/dbraw/zinc/26/57/40/336265740.db2.gz SKWKEDYPVIUJMZ-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1cccc2ccccc21 ZINC000192844587 336266365 /nfs/dbraw/zinc/26/63/65/336266365.db2.gz ILGTWUISLDFTKA-AWEZNQCLSA-N -1 3 321.376 4.260 20 0 DIADHM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(Cl)ccc1[O-] ZINC000104864441 336271103 /nfs/dbraw/zinc/27/11/03/336271103.db2.gz YRGMHUDROLMLSP-UHFFFAOYSA-N -1 3 315.800 4.106 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000532838443 336272625 /nfs/dbraw/zinc/27/26/25/336272625.db2.gz YLYYEENYIZGVNH-UHFFFAOYSA-N -1 3 322.191 4.369 20 0 DIADHM Cc1csc([C@@H](C)NCc2cc([O-])cc(C(F)(F)F)c2)n1 ZINC000352837817 336273213 /nfs/dbraw/zinc/27/32/13/336273213.db2.gz CAVQJEUNBJGRCW-SECBINFHSA-N -1 3 316.348 4.027 20 0 DIADHM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1cccc([O-])c1 ZINC000182591363 336273716 /nfs/dbraw/zinc/27/37/16/336273716.db2.gz COHIIGPWOWLMOA-LJQANCHMSA-N -1 3 321.351 4.051 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(CCc2ccccc2)no1 ZINC000324963052 336275464 /nfs/dbraw/zinc/27/54/64/336275464.db2.gz XQLANTSMPHORIE-UHFFFAOYSA-N -1 3 316.360 4.381 20 0 DIADHM Cc1ccc(-c2noc(CCCc3ccc([O-])c(F)c3)n2)cc1 ZINC000527046756 336280524 /nfs/dbraw/zinc/28/05/24/336280524.db2.gz AFOYONLXNXRSKO-UHFFFAOYSA-N -1 3 312.344 4.065 20 0 DIADHM CC(C)c1cc(NCc2ccc([O-])c(F)c2)nc(C(C)C)n1 ZINC000301882109 336336009 /nfs/dbraw/zinc/33/60/09/336336009.db2.gz WNITUGBBGQZCKH-UHFFFAOYSA-N -1 3 303.381 4.180 20 0 DIADHM CC(C)c1noc([N-][C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302035735 336344577 /nfs/dbraw/zinc/34/45/77/336344577.db2.gz UNXCQGDVPMNGJC-LBPRGKRZSA-N -1 3 307.781 4.172 20 0 DIADHM C[C@H](SCC(=O)Nc1ccccc1[O-])c1ccc(Cl)cc1 ZINC000514109107 336363363 /nfs/dbraw/zinc/36/33/63/336363363.db2.gz KAXQZXXBVZFMLR-NSHDSACASA-N -1 3 321.829 4.479 20 0 DIADHM C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000514609173 336386246 /nfs/dbraw/zinc/38/62/46/336386246.db2.gz IGVUJFUQXMZPAD-GPCCPHFNSA-N -1 3 316.228 4.097 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnc(C)s1 ZINC000354978085 336489918 /nfs/dbraw/zinc/48/99/18/336489918.db2.gz PIFYAIJEGAWQMK-UHFFFAOYSA-N -1 3 312.847 4.469 20 0 DIADHM O=C([N-]c1nc2ccsc2s1)c1c(F)ccc(F)c1F ZINC000356817699 336561972 /nfs/dbraw/zinc/56/19/72/336561972.db2.gz AKUZUEGXAVDCMN-UHFFFAOYSA-N -1 3 314.313 4.027 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)c1[nH]c2ccc(F)cc2c1Cl ZINC000360856326 336724565 /nfs/dbraw/zinc/72/45/65/336724565.db2.gz YNKCPFNMRGGREZ-UHFFFAOYSA-N -1 3 322.698 4.057 20 0 DIADHM CC[C@@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC000362348472 336793321 /nfs/dbraw/zinc/79/33/21/336793321.db2.gz JFNLSRQPCZUHBV-OAHLLOKOSA-N -1 3 319.788 4.085 20 0 DIADHM CC(=O)c1ccc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)o1 ZINC000362403736 336796032 /nfs/dbraw/zinc/79/60/32/336796032.db2.gz QBPIMJFQVHVEMS-UHFFFAOYSA-N -1 3 319.382 4.025 20 0 DIADHM CC(C)c1ccoc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000375132647 337004069 /nfs/dbraw/zinc/00/40/69/337004069.db2.gz RXWNCEXUMFQHJV-UHFFFAOYSA-N -1 3 319.411 4.235 20 0 DIADHM Cc1cc(Cl)ccc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000426754282 337057744 /nfs/dbraw/zinc/05/77/44/337057744.db2.gz PCZGHRBIXCLGMQ-SUMWQHHRSA-N -1 3 317.816 4.200 20 0 DIADHM CCC(C)(C)CCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000582612421 337114450 /nfs/dbraw/zinc/11/44/50/337114450.db2.gz UFOQVMSQKXVTIX-UHFFFAOYSA-N -1 3 313.388 4.068 20 0 DIADHM CCCOc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000532900529 337161130 /nfs/dbraw/zinc/16/11/30/337161130.db2.gz QNGMNVGUQKJHPX-UHFFFAOYSA-N -1 3 319.788 4.016 20 0 DIADHM Cc1nc(-c2cccc(C(=O)Nc3c(C)cccc3[O-])c2)cs1 ZINC000179545731 337170098 /nfs/dbraw/zinc/17/00/98/337170098.db2.gz HLUKKFLIKAVHSL-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc([O-])cc1F ZINC000183242716 337192431 /nfs/dbraw/zinc/19/24/31/337192431.db2.gz HUNKWSVWIIIYOR-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM Cc1cc([C@@H](C)N2CCC[C@@H]2c2ccsc2)oc1C(=O)[O-] ZINC000583029680 337230996 /nfs/dbraw/zinc/23/09/96/337230996.db2.gz ANLJWKSUABGOLO-DGCLKSJQSA-N -1 3 305.399 4.246 20 0 DIADHM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000190810108 337291104 /nfs/dbraw/zinc/29/11/04/337291104.db2.gz HSXQGUVVGBAOMD-UHFFFAOYSA-N -1 3 322.817 4.015 20 0 DIADHM O=C([O-])C[C@@H](NCc1ccc(C2CCCC2)cc1)c1ccncc1 ZINC000583274351 337300081 /nfs/dbraw/zinc/30/00/81/337300081.db2.gz YLPDZJAGAQQJBM-LJQANCHMSA-N -1 3 324.424 4.045 20 0 DIADHM CCCC[C@@H](C)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000583781336 337332606 /nfs/dbraw/zinc/33/26/06/337332606.db2.gz CBQAZOFKBASHKD-GFCCVEGCSA-N -1 3 313.401 4.092 20 0 DIADHM CO[C@@H](CC(C)C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000420507180 337505467 /nfs/dbraw/zinc/50/54/67/337505467.db2.gz XRGYCZVHMADFTE-INIZCTEOSA-N -1 3 312.369 4.329 20 0 DIADHM [O-]c1cccnc1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000572047140 337588592 /nfs/dbraw/zinc/58/85/92/337588592.db2.gz ZAPBBXOIIWQUSS-QGZVFWFLSA-N -1 3 302.805 4.072 20 0 DIADHM [O-]c1cccnc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000572047139 337588610 /nfs/dbraw/zinc/58/86/10/337588610.db2.gz ZAPBBXOIIWQUSS-KRWDZBQOSA-N -1 3 302.805 4.072 20 0 DIADHM CCOc1cc(-c2noc(C[C@@H](C)c3ccccc3)n2)ccc1[O-] ZINC000445427390 337727707 /nfs/dbraw/zinc/72/77/07/337727707.db2.gz OTOHQDITTVKTIR-CYBMUJFWSA-N -1 3 324.380 4.187 20 0 DIADHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000527258087 337740651 /nfs/dbraw/zinc/74/06/51/337740651.db2.gz QNAKWJCTSBYDQX-MNOVXSKESA-N -1 3 315.335 4.110 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(F)cccc2Oc2ccccc2)no1 ZINC000107167617 337826667 /nfs/dbraw/zinc/82/66/67/337826667.db2.gz FMXCVQXJWDJCKS-UHFFFAOYSA-N -1 3 312.300 4.167 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000537639643 337954732 /nfs/dbraw/zinc/95/47/32/337954732.db2.gz BPLHKOSJVAWGPK-QGZVFWFLSA-N -1 3 313.372 4.071 20 0 DIADHM CCc1ccccc1CNCc1cccc([O-])c1Br ZINC000315370190 337985748 /nfs/dbraw/zinc/98/57/48/337985748.db2.gz GFDYNMLYJBRKPP-UHFFFAOYSA-N -1 3 320.230 4.007 20 0 DIADHM O=C([N-]c1cc(Cl)cc2cccnc21)c1cc(C2CC2)no1 ZINC000515411433 337988318 /nfs/dbraw/zinc/98/83/18/337988318.db2.gz HWRGAHGXNPJOJY-UHFFFAOYSA-N -1 3 313.744 4.006 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nc(Cc2cccs2)no1 ZINC000315526120 337988703 /nfs/dbraw/zinc/98/87/03/337988703.db2.gz AELCGCBMIOFMQP-UHFFFAOYSA-N -1 3 308.362 4.248 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3C(C)C)n[n-]2)o1 ZINC000426374054 338029463 /nfs/dbraw/zinc/02/94/63/338029463.db2.gz WMLBDBBTGSUEFI-UHFFFAOYSA-N -1 3 323.396 4.378 20 0 DIADHM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3C(C)C)[n-]n2)o1 ZINC000426374054 338029464 /nfs/dbraw/zinc/02/94/64/338029464.db2.gz WMLBDBBTGSUEFI-UHFFFAOYSA-N -1 3 323.396 4.378 20 0 DIADHM CC(C)(C)CC[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426738594 338040120 /nfs/dbraw/zinc/04/01/20/338040120.db2.gz XIZDVRWNUDSHFH-CYBMUJFWSA-N -1 3 318.244 4.363 20 0 DIADHM O=C([O-])[C@@H](CC1CCCC1)NCc1ccc(Cl)cc1Cl ZINC000426717934 338039075 /nfs/dbraw/zinc/03/90/75/338039075.db2.gz TXEFEILRKZVQNX-CQSZACIVSA-N -1 3 316.228 4.117 20 0 DIADHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)c1 ZINC000426724646 338039305 /nfs/dbraw/zinc/03/93/05/338039305.db2.gz USHJWOFXFDWONL-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cccc([C@H](NCc2ccc(Cl)cc2C)C(=O)[O-])c1C ZINC000426729137 338039584 /nfs/dbraw/zinc/03/95/84/338039584.db2.gz AGBTWOBHQOJZKB-KRWDZBQOSA-N -1 3 317.816 4.181 20 0 DIADHM CC(C)c1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000426744802 338040313 /nfs/dbraw/zinc/04/03/13/338040313.db2.gz DQOXRXVLZQPEBQ-KXBFYZLASA-N -1 3 311.425 4.362 20 0 DIADHM Cc1cc(C)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000426751698 338040708 /nfs/dbraw/zinc/04/07/08/338040708.db2.gz XLBOBFMJLVKNRR-APWZRJJASA-N -1 3 311.425 4.163 20 0 DIADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000426752764 338040717 /nfs/dbraw/zinc/04/07/17/338040717.db2.gz BJTJXGUKACVOPB-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cc(C)c(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000426751700 338040720 /nfs/dbraw/zinc/04/07/20/338040720.db2.gz XLBOBFMJLVKNRR-QFBILLFUSA-N -1 3 311.425 4.163 20 0 DIADHM Cc1cc(C)cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426755872 338040875 /nfs/dbraw/zinc/04/08/75/338040875.db2.gz GMMOTABCSLONLA-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000426765031 338041326 /nfs/dbraw/zinc/04/13/26/338041326.db2.gz ZZLFGFJSUKHFTC-INIZCTEOSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cccc(C(C)(C)CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000431790996 338138881 /nfs/dbraw/zinc/13/88/81/338138881.db2.gz KHZXVMSXLUHNHM-UHFFFAOYSA-N -1 3 317.816 4.062 20 0 DIADHM COC(=O)c1cnc(S[C@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000432658238 338161793 /nfs/dbraw/zinc/16/17/93/338161793.db2.gz MYBMVUMTFOCKKX-LLVKDONJSA-N -1 3 304.415 4.173 20 0 DIADHM COC(=O)c1cnc(SCc2ccc(-c3ccccc3)cc2)[n-]1 ZINC000432669569 338162020 /nfs/dbraw/zinc/16/20/20/338162020.db2.gz 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/nfs/dbraw/zinc/26/17/16/338261716.db2.gz UCWRIDOWAKTJNV-SECBINFHSA-N -1 3 305.403 4.164 20 0 DIADHM [O-]c1ccc(Cc2ccccc2)cc1-c1nc(-c2ccco2)no1 ZINC000436515565 338274671 /nfs/dbraw/zinc/27/46/71/338274671.db2.gz SCEGKERITRRVMI-UHFFFAOYSA-N -1 3 318.332 4.293 20 0 DIADHM CCc1nc2ccccc2c(C(=O)Nc2ccccc2[O-])c1C ZINC000436517475 338274819 /nfs/dbraw/zinc/27/48/19/338274819.db2.gz NZHPSWGTTGVIMX-UHFFFAOYSA-N -1 3 306.365 4.064 20 0 DIADHM COc1cc(-c2noc(/C(F)=C\C3CCCCC3)n2)ccc1[O-] ZINC000436523064 338274960 /nfs/dbraw/zinc/27/49/60/338274960.db2.gz ZCXZPROVHWNRDY-UKTHLTGXSA-N -1 3 318.348 4.342 20 0 DIADHM C[C@H](c1cc2ccccc2o1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436535752 338275644 /nfs/dbraw/zinc/27/56/44/338275644.db2.gz SLDGKRHKLOQPFN-LLVKDONJSA-N -1 3 306.321 4.340 20 0 DIADHM [O-]c1ccc(-c2noc(C3(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000436533821 338275764 /nfs/dbraw/zinc/27/57/64/338275764.db2.gz NSUFJBGKKSNJRL-UHFFFAOYSA-N -1 3 312.756 4.176 20 0 DIADHM COc1ccc(N(CC(C)C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436538483 338275909 /nfs/dbraw/zinc/27/59/09/338275909.db2.gz IMYMZABQSANZJM-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CC[C@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436542173 338276135 /nfs/dbraw/zinc/27/61/35/338276135.db2.gz FEPAHFGITCEXKT-HNNXBMFYSA-N -1 3 311.425 4.048 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cn2)c([O-])c1 ZINC000436550000 338276626 /nfs/dbraw/zinc/27/66/26/338276626.db2.gz YFVBPKYATNVPLQ-LLVKDONJSA-N -1 3 318.804 4.055 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c([O-])c1C ZINC000436550497 338276679 /nfs/dbraw/zinc/27/66/79/338276679.db2.gz IUTMYGUVVGHCIO-KRWDZBQOSA-N -1 3 313.372 4.125 20 0 DIADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000436551759 338276682 /nfs/dbraw/zinc/27/66/82/338276682.db2.gz RZFRTKPDOFRWGB-UNEWFSDZSA-N -1 3 301.430 4.309 20 0 DIADHM CSc1ccc(N(C)C(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436553520 338276819 /nfs/dbraw/zinc/27/68/19/338276819.db2.gz HJYGUWAQUIGRQR-UHFFFAOYSA-N -1 3 301.411 4.008 20 0 DIADHM Cc1ccc(C(=O)Nc2scnc2-c2ccccc2)c([O-])c1C ZINC000436567931 338277379 /nfs/dbraw/zinc/27/73/79/338277379.db2.gz PXXVKKFWBULHIS-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(C)c2[O-])o1 ZINC000436571074 338277644 /nfs/dbraw/zinc/27/76/44/338277644.db2.gz BZYQPENVQPKEHO-LRDDRELGSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c1[O-] ZINC000436578040 338277914 /nfs/dbraw/zinc/27/79/14/338277914.db2.gz VQAWEGOMXDVPCA-SJCJKPOMSA-N -1 3 313.372 4.063 20 0 DIADHM CCc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)c([O-])c1 ZINC000436575907 338277986 /nfs/dbraw/zinc/27/79/86/338277986.db2.gz PCURTFBWCBBNIL-UHFFFAOYSA-N -1 3 320.348 4.342 20 0 DIADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c([O-])c1 ZINC000436580135 338278266 /nfs/dbraw/zinc/27/82/66/338278266.db2.gz AGASERYSOXFKRB-CXAGYDPISA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c([O-])c1C ZINC000436589205 338278685 /nfs/dbraw/zinc/27/86/85/338278685.db2.gz PBNDTQUUHHCLTE-MAUKXSAKSA-N -1 3 323.436 4.275 20 0 DIADHM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cccc(C)c2[O-])cc1 ZINC000436592424 338278939 /nfs/dbraw/zinc/27/89/39/338278939.db2.gz VEXPGMKCQDKGMY-HKUYNNGSSA-N -1 3 323.436 4.417 20 0 DIADHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC000436594534 338279062 /nfs/dbraw/zinc/27/90/62/338279062.db2.gz HMXHIOCXFXMLSB-UHFFFAOYSA-N -1 3 323.436 4.194 20 0 DIADHM CC[C@@H]1CCCC[C@H]1c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000436595082 338279091 /nfs/dbraw/zinc/27/90/91/338279091.db2.gz KYOOQZPIGZQFJN-DGCLKSJQSA-N -1 3 302.374 4.135 20 0 DIADHM COCc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000436604364 338279541 /nfs/dbraw/zinc/27/95/41/338279541.db2.gz AITKMFZQUODXDB-UHFFFAOYSA-N -1 3 322.320 4.002 20 0 DIADHM Cc1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)ns1 ZINC000436606836 338279594 /nfs/dbraw/zinc/27/95/94/338279594.db2.gz FJOYQPKVUWCTSW-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM Cc1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(C)s1 ZINC000436605313 338279641 /nfs/dbraw/zinc/27/96/41/338279641.db2.gz BXHIFVBJPXTTAF-UHFFFAOYSA-N -1 3 323.377 4.336 20 0 DIADHM COc1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436608065 338279864 /nfs/dbraw/zinc/27/98/64/338279864.db2.gz JKTLZJDBLCDCGW-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM [O-]c1ccc(-c2noc(/C=C/c3cccnc3)n2)c2ccccc12 ZINC000436613242 338280019 /nfs/dbraw/zinc/28/00/19/338280019.db2.gz TXQVGIVTPANANI-JXMROGBWSA-N -1 3 315.332 4.161 20 0 DIADHM COc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1 ZINC000436619825 338280283 /nfs/dbraw/zinc/28/02/83/338280283.db2.gz SRYMYJDHRCZYGD-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c([O-])c1C ZINC000436625318 338280554 /nfs/dbraw/zinc/28/05/54/338280554.db2.gz DNANJFQDBWQURU-JYBLJSLWSA-N -1 3 321.420 4.327 20 0 DIADHM Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)c([O-])c1C ZINC000436638026 338281051 /nfs/dbraw/zinc/28/10/51/338281051.db2.gz ZDXQEZXWZIGWGP-UHFFFAOYSA-N -1 3 323.436 4.203 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([O-])c1 ZINC000436715148 338283833 /nfs/dbraw/zinc/28/38/33/338283833.db2.gz ICTJTVRFIPARDH-AWEZNQCLSA-N -1 3 301.430 4.168 20 0 DIADHM O=C([N-]c1csnc1-c1ccccc1)c1cc(F)ccc1F ZINC000436719695 338284087 /nfs/dbraw/zinc/28/40/87/338284087.db2.gz IAHKXXAWQCAJGN-UHFFFAOYSA-N -1 3 316.332 4.341 20 0 DIADHM Cc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c([O-])c1C ZINC000436723407 338284235 /nfs/dbraw/zinc/28/42/35/338284235.db2.gz LLBOBMZKKDDZNS-UHFFFAOYSA-N -1 3 301.430 4.196 20 0 DIADHM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000436734352 338284669 /nfs/dbraw/zinc/28/46/69/338284669.db2.gz ABZOAXDABIKDMY-UHFFFAOYSA-N -1 3 323.392 4.281 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCCCCC1 ZINC000436747003 338285204 /nfs/dbraw/zinc/28/52/04/338285204.db2.gz JLVBXUZMMZCYRT-UHFFFAOYSA-N -1 3 311.381 4.201 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c1 ZINC000436748617 338285229 /nfs/dbraw/zinc/28/52/29/338285229.db2.gz GXIGUKSMCMJMFT-RDJZCZTQSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000436752812 338285500 /nfs/dbraw/zinc/28/55/00/338285500.db2.gz YNJXHNZYRUXRHU-WBVHZDCISA-N -1 3 309.409 4.109 20 0 DIADHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccccc1 ZINC000436755865 338285741 /nfs/dbraw/zinc/28/57/41/338285741.db2.gz OJGJYBLQEQJKPT-UHFFFAOYSA-N -1 3 317.388 4.260 20 0 DIADHM Cc1cccc(CSCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436767144 338286286 /nfs/dbraw/zinc/28/62/86/338286286.db2.gz FQMZMLHOMCNRLA-UHFFFAOYSA-N -1 3 312.394 4.184 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000436766502 338286290 /nfs/dbraw/zinc/28/62/90/338286290.db2.gz CEYLRKSHZYAGTP-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM [O-]c1ccc(-c2noc(CSc3ccc4c(c3)CCC4)n2)cc1 ZINC000436767111 338286330 /nfs/dbraw/zinc/28/63/30/338286330.db2.gz FJKBNZWGKJNTIJ-UHFFFAOYSA-N -1 3 324.405 4.223 20 0 DIADHM C[C@@H](Oc1ccccc1Cl)c1nc(-c2ccc([O-])cc2)no1 ZINC000436767073 338286354 /nfs/dbraw/zinc/28/63/54/338286354.db2.gz DWXZXKQCGDSPBR-SNVBAGLBSA-N -1 3 316.744 4.236 20 0 DIADHM Cc1cccc(OCCCCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436765422 338286443 /nfs/dbraw/zinc/28/64/43/338286443.db2.gz AVGIMJOANXDDAF-UHFFFAOYSA-N -1 3 324.380 4.152 20 0 DIADHM [O-]c1ccc(-c2noc(Cc3ccccc3C(F)(F)F)n2)cc1 ZINC000436767207 338286483 /nfs/dbraw/zinc/28/64/83/338286483.db2.gz GOERRDWCAIHWRH-UHFFFAOYSA-N -1 3 320.270 4.052 20 0 DIADHM CCOc1ccc(/C=C\c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436767181 338286517 /nfs/dbraw/zinc/28/65/17/338286517.db2.gz GFHYTVRIHGZFFC-XGICHPGQSA-N -1 3 308.337 4.011 20 0 DIADHM Cc1c2cc(F)ccc2oc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000436769103 338286617 /nfs/dbraw/zinc/28/66/17/338286617.db2.gz MVCNAEZPHHYVDL-UHFFFAOYSA-N -1 3 310.284 4.303 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cccc(Cl)c3)n2)cc1 ZINC000436771045 338286693 /nfs/dbraw/zinc/28/66/93/338286693.db2.gz WPMXDGGYRPLDHB-LSDHHAIUSA-N -1 3 312.756 4.367 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)ccc1[O-] ZINC000436785230 338287273 /nfs/dbraw/zinc/28/72/73/338287273.db2.gz SVQWHKQFCRWGSP-DOTOQJQBSA-N -1 3 309.409 4.109 20 0 DIADHM CCc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c([O-])c1 ZINC000436804946 338287933 /nfs/dbraw/zinc/28/79/33/338287933.db2.gz CJUVHGKFYPJDTA-UHFFFAOYSA-N -1 3 313.397 4.133 20 0 DIADHM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000436813263 338288346 /nfs/dbraw/zinc/28/83/46/338288346.db2.gz DJPKJAXCYQYTDP-AWEZNQCLSA-N -1 3 323.314 4.124 20 0 DIADHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000436813264 338288362 /nfs/dbraw/zinc/28/83/62/338288362.db2.gz DJPKJAXCYQYTDP-CQSZACIVSA-N -1 3 323.314 4.124 20 0 DIADHM Cc1cc(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)ccc1[O-] ZINC000436824751 338288729 /nfs/dbraw/zinc/28/87/29/338288729.db2.gz CINZVJHSBIWYPY-UHFFFAOYSA-N -1 3 321.323 4.018 20 0 DIADHM CCc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c([O-])c1 ZINC000436841578 338289463 /nfs/dbraw/zinc/28/94/63/338289463.db2.gz VMOPJECZJGLHKT-UHFFFAOYSA-N -1 3 315.438 4.036 20 0 DIADHM CCc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c([O-])c1 ZINC000436846467 338289679 /nfs/dbraw/zinc/28/96/79/338289679.db2.gz XHSPDPFOKVTGSL-UHFFFAOYSA-N -1 3 305.337 4.153 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c1[O-] ZINC000436847439 338289801 /nfs/dbraw/zinc/28/98/01/338289801.db2.gz KAZLHJRNBYEWOI-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1ccc(Cc2noc(-c3ccc(C)c(C)c3[O-])n2)s1 ZINC000436883554 338291831 /nfs/dbraw/zinc/29/18/31/338291831.db2.gz AWUOSVXEPUDREW-UHFFFAOYSA-N -1 3 300.383 4.020 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c([O-])c1C ZINC000436892109 338292225 /nfs/dbraw/zinc/29/22/25/338292225.db2.gz ZMHQBWMDKBQFSS-UHFFFAOYSA-N -1 3 305.337 4.207 20 0 DIADHM Cc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c([O-])c1C ZINC000436893454 338292358 /nfs/dbraw/zinc/29/23/58/338292358.db2.gz PACPIQIBAKCVED-UHFFFAOYSA-N -1 3 314.772 4.303 20 0 DIADHM Cc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000436896342 338292515 /nfs/dbraw/zinc/29/25/15/338292515.db2.gz SFJBZKMRTFRVMD-LLVKDONJSA-N -1 3 323.314 4.210 20 0 DIADHM COCc1ccc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)cc1 ZINC000436911092 338293067 /nfs/dbraw/zinc/29/30/67/338293067.db2.gz SGQZIMMVMUFVCQ-UHFFFAOYSA-N -1 3 324.380 4.379 20 0 DIADHM CSCc1ccc(-c2noc(-c3cc(C)ccc3[O-])n2)cc1 ZINC000436908792 338293086 /nfs/dbraw/zinc/29/30/86/338293086.db2.gz KAYPTOJFSKPWMB-UHFFFAOYSA-N -1 3 312.394 4.281 20 0 DIADHM CCSc1cccc(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436918013 338293210 /nfs/dbraw/zinc/29/32/10/338293210.db2.gz ZQKMZGYNDYMNRX-UHFFFAOYSA-N -1 3 317.410 4.074 20 0 DIADHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc([O-])c(C)c2)o1 ZINC000436926337 338293865 /nfs/dbraw/zinc/29/38/65/338293865.db2.gz MOCWSSUWPBVNOJ-MLGOLLRUSA-N -1 3 313.397 4.215 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2c(Cl)cccc2Cl)c([O-])c1 ZINC000436925675 338293875 /nfs/dbraw/zinc/29/38/75/338293875.db2.gz KFTPDNCSCBSGMP-UHFFFAOYSA-N -1 3 324.207 4.280 20 0 DIADHM CCCCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)c1ccccc1 ZINC000436927216 338293918 /nfs/dbraw/zinc/29/39/18/338293918.db2.gz NFUWHGAKHHHHKR-CQSZACIVSA-N -1 3 313.397 4.101 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3ccc4sccc4c3)no2)c1 ZINC000436931835 338294250 /nfs/dbraw/zinc/29/42/50/338294250.db2.gz KZRVFXBZCOJECP-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000436935487 338294395 /nfs/dbraw/zinc/29/43/95/338294395.db2.gz CJMODSYXUNSZJY-VKJFTORMSA-N -1 3 309.409 4.107 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000436935738 338294478 /nfs/dbraw/zinc/29/44/78/338294478.db2.gz LJWHHRNEZRRXPR-SJKOYZFVSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)ccc1[O-] ZINC000436937431 338294645 /nfs/dbraw/zinc/29/46/45/338294645.db2.gz IMBWKISZMUAQES-SJKOYZFVSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)ccc1[O-] ZINC000436937427 338294684 /nfs/dbraw/zinc/29/46/84/338294684.db2.gz IMBWKISZMUAQES-PXAZEXFGSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1cc(C(=O)N[C@H](C)c2cc3ccccc3s2)ccc1[O-] ZINC000436939589 338294692 /nfs/dbraw/zinc/29/46/92/338294692.db2.gz OYYKZHBVIGRUBL-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM CC[C@H](CSc1ccccc1)NC(=O)c1ccc([O-])c(C)c1 ZINC000436941074 338294826 /nfs/dbraw/zinc/29/48/26/338294826.db2.gz ZYBNGKLXNRBPPB-OAHLLOKOSA-N -1 3 315.438 4.001 20 0 DIADHM Cc1ccc(-c2ocnc2-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436946677 338295227 /nfs/dbraw/zinc/29/52/27/338295227.db2.gz DZVQAKDHTMNPSC-UHFFFAOYSA-N -1 3 319.320 4.073 20 0 DIADHM CCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](CC)c1ccccc1 ZINC000436944311 338295240 /nfs/dbraw/zinc/29/52/40/338295240.db2.gz PFHDXDKAWLZEBP-KRWDZBQOSA-N -1 3 313.397 4.101 20 0 DIADHM Cc1ccc(-c2nc(C[C@H](C)c3ccccc3)no2)c([O-])c1C ZINC000436949257 338295343 /nfs/dbraw/zinc/29/53/43/338295343.db2.gz WIMFJLMCBWZNMF-ZDUSSCGKSA-N -1 3 308.381 4.405 20 0 DIADHM O=C(Nc1ccccc1O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436953135 338295539 /nfs/dbraw/zinc/29/55/39/338295539.db2.gz MFMVHVPMGKSUIA-UHFFFAOYSA-N -1 3 321.332 4.142 20 0 DIADHM O=C(c1ccccc1[O-])N1CC=C(c2cccc3ccccc32)C1 ZINC000436956249 338295987 /nfs/dbraw/zinc/29/59/87/338295987.db2.gz LOMMMXHBYNUVIS-UHFFFAOYSA-N -1 3 315.372 4.085 20 0 DIADHM CC(C)N(C(=O)c1ccc2c(c1[O-])CCCC2)C1CCCC1 ZINC000436961571 338296056 /nfs/dbraw/zinc/29/60/56/338296056.db2.gz MMYKEMFVBCDWGB-UHFFFAOYSA-N -1 3 301.430 4.064 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H](C)c3ccccc3C)no2)c1[O-] ZINC000436965970 338296068 /nfs/dbraw/zinc/29/60/68/338296068.db2.gz TUCLDXGJYIXCRC-ZDUSSCGKSA-N -1 3 324.380 4.219 20 0 DIADHM CSc1ccccc1CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436987617 338296753 /nfs/dbraw/zinc/29/67/53/338296753.db2.gz ILJZNZSKNDWBRP-UHFFFAOYSA-N -1 3 315.438 4.003 20 0 DIADHM Cc1cccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1[O-] ZINC000436996182 338297117 /nfs/dbraw/zinc/29/71/17/338297117.db2.gz SQKPMMLCZIRHAP-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM COc1ccccc1Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000437004894 338297511 /nfs/dbraw/zinc/29/75/11/338297511.db2.gz XRSIEBKBFVCYKN-UHFFFAOYSA-N -1 3 324.380 4.165 20 0 DIADHM CCS[C@H]1CCCCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000437004843 338297564 /nfs/dbraw/zinc/29/75/64/338297564.db2.gz NQUGCRLQCVYSAE-HNNXBMFYSA-N -1 3 321.486 4.263 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000438892254 338354829 /nfs/dbraw/zinc/35/48/29/338354829.db2.gz FNZUIDBTPBHEJG-STQMWFEESA-N -1 3 322.191 4.441 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000439095093 338360946 /nfs/dbraw/zinc/36/09/46/338360946.db2.gz JZOGWCFRXKQONG-QWRGUYRKSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(CCCc1ccccc1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000440985451 338400578 /nfs/dbraw/zinc/40/05/78/338400578.db2.gz TVCZSHKMEJWKQH-UHFFFAOYSA-N -1 3 323.314 4.372 20 0 DIADHM Cc1noc(C(C)C)c1C(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000441597833 338417522 /nfs/dbraw/zinc/41/75/22/338417522.db2.gz MBAKJBWKNNJLMB-UHFFFAOYSA-N -1 3 314.719 4.290 20 0 DIADHM Cc1ccc(NC(=O)c2ncccc2Oc2ccccc2)c([O-])c1 ZINC000442416633 338423804 /nfs/dbraw/zinc/42/38/04/338423804.db2.gz HTGKBDXYTBQOCK-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1nc(-c2ccc(C(=O)Nc3c(C)cccc3[O-])cc2)cs1 ZINC000442885739 338438193 /nfs/dbraw/zinc/43/81/93/338438193.db2.gz YGGQQDGFLNODII-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CN(C(=O)CCc1ccc2ccccc2c1[O-])C(C1CC1)C1CC1 ZINC000448833753 338576553 /nfs/dbraw/zinc/57/65/53/338576553.db2.gz HMGNOOVDFPPPBD-UHFFFAOYSA-N -1 3 323.436 4.125 20 0 DIADHM CC[C@H]1[C@H](C)CCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450735800 338702429 /nfs/dbraw/zinc/70/24/29/338702429.db2.gz GOBOBZFQQWWMRI-KDOFPFPSSA-N -1 3 311.425 4.125 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](c2ccc(Cl)cc2)C(C)C)n1 ZINC000451796607 338744368 /nfs/dbraw/zinc/74/43/68/338744368.db2.gz HIORDQIYXXLLMD-BLLLJJGKSA-N -1 3 319.836 4.192 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000195646885 338912363 /nfs/dbraw/zinc/91/23/63/338912363.db2.gz SNGMXONAXIOGBP-OAHLLOKOSA-N -1 3 301.773 4.023 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c1[O-] ZINC000458092860 338988126 /nfs/dbraw/zinc/98/81/26/338988126.db2.gz QFNSXJMQDDAUHN-WMZOPIPTSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC000458092856 338988130 /nfs/dbraw/zinc/98/81/30/338988130.db2.gz QFNSXJMQDDAUHN-AEFFLSMTSA-N -1 3 309.409 4.109 20 0 DIADHM CCOc1cc(CN(C)Cc2cccs2)cc(Cl)c1[O-] ZINC000459290777 339019573 /nfs/dbraw/zinc/01/95/73/339019573.db2.gz LNAOKOVRKPQNGP-UHFFFAOYSA-N -1 3 311.834 4.138 20 0 DIADHM CCOc1cc(CNc2ccccc2N(C)C)cc(Cl)c1[O-] ZINC000459372239 339025365 /nfs/dbraw/zinc/02/53/65/339025365.db2.gz SIVRHMHURJHHRP-UHFFFAOYSA-N -1 3 320.820 4.122 20 0 DIADHM Cc1ccc(CNCc2cccc([O-])c2Br)c(C)c1 ZINC000459387803 339026338 /nfs/dbraw/zinc/02/63/38/339026338.db2.gz KCWRTHIEHWUSKK-UHFFFAOYSA-N -1 3 320.230 4.061 20 0 DIADHM CCOc1cc(CNCc2cscc2C)cc(Cl)c1[O-] ZINC000459501739 339032876 /nfs/dbraw/zinc/03/28/76/339032876.db2.gz CAAXIJQCDQEIQE-UHFFFAOYSA-N -1 3 311.834 4.104 20 0 DIADHM CCOCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000463230659 339110585 /nfs/dbraw/zinc/11/05/85/339110585.db2.gz SHCNCDLYGFFOSP-UHFFFAOYSA-N -1 3 314.410 4.217 20 0 DIADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000467123465 339226864 /nfs/dbraw/zinc/22/68/64/339226864.db2.gz YUUUSGYZUDTFMG-SNVBAGLBSA-N -1 3 309.287 4.153 20 0 DIADHM O=C(CC1CC(c2ccccc2)C1)N1CCCc2cccc([O-])c21 ZINC000467491196 339240212 /nfs/dbraw/zinc/24/02/12/339240212.db2.gz GSQLRTSLIAUKGL-UHFFFAOYSA-N -1 3 321.420 4.255 20 0 DIADHM Cc1oc2ccccc2c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000467926086 339249437 /nfs/dbraw/zinc/24/94/37/339249437.db2.gz DXPDCLWQHVQFRU-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM Cc1oc2ccccc2c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000467929070 339249464 /nfs/dbraw/zinc/24/94/64/339249464.db2.gz XPZCIFSUROGFQS-UHFFFAOYSA-N -1 3 315.756 4.281 20 0 DIADHM Cc1oc2ccccc2c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000467989614 339250488 /nfs/dbraw/zinc/25/04/88/339250488.db2.gz FWLVTBSYRUUGFQ-UHFFFAOYSA-N -1 3 301.729 4.353 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000468377135 339260942 /nfs/dbraw/zinc/26/09/42/339260942.db2.gz LIXRYPGKRWYQCL-UHFFFAOYSA-N -1 3 319.351 4.046 20 0 DIADHM Cc1ccccc1[C@@H](C)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468556658 339266335 /nfs/dbraw/zinc/26/63/35/339266335.db2.gz VPJUWVMYLLKGFW-CQSZACIVSA-N -1 3 315.388 4.040 20 0 DIADHM C[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)c2c([O-])cccc21 ZINC000468753895 339269959 /nfs/dbraw/zinc/26/99/59/339269959.db2.gz ACDIDSYKYSBYPW-LLVKDONJSA-N -1 3 317.335 4.484 20 0 DIADHM CCCCS[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000468841582 339272365 /nfs/dbraw/zinc/27/23/65/339272365.db2.gz DXFKIIZAJXKTNQ-QWHCGFSZSA-N -1 3 307.459 4.154 20 0 DIADHM CC(C)[C@@H]1CCC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000468890057 339273835 /nfs/dbraw/zinc/27/38/35/339273835.db2.gz JJLAOYGHQBRDCQ-CVEARBPZSA-N -1 3 321.436 4.185 20 0 DIADHM CC(C)C1CCC(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468899291 339274061 /nfs/dbraw/zinc/27/40/61/339274061.db2.gz JOAMUCAVLLVPQK-UHFFFAOYSA-N -1 3 321.436 4.185 20 0 DIADHM CC[C@H](C)[C@@H](C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000469028951 339278005 /nfs/dbraw/zinc/27/80/05/339278005.db2.gz QPFIMWLTRNUWET-UONOGXRCSA-N -1 3 321.436 4.280 20 0 DIADHM CC[C@@H](C)[C@H](C)N(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000469026555 339278021 /nfs/dbraw/zinc/27/80/21/339278021.db2.gz QPFIMWLTRNUWET-KGLIPLIRSA-N -1 3 321.436 4.280 20 0 DIADHM CCCC[C@@H](CCC)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000469204374 339282948 /nfs/dbraw/zinc/28/29/48/339282948.db2.gz OLZLMGLRZHHBJJ-OAHLLOKOSA-N -1 3 309.425 4.329 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc(F)c2Cl)c2c([O-])cccc21 ZINC000469277907 339285037 /nfs/dbraw/zinc/28/50/37/339285037.db2.gz VCHDLJJYQDKTNU-JTQLQIEISA-N -1 3 319.763 4.339 20 0 DIADHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469369465 339287079 /nfs/dbraw/zinc/28/70/79/339287079.db2.gz NGRQWXSUTBELMC-UKPHBRMFSA-N -1 3 319.420 4.034 20 0 DIADHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469369463 339287122 /nfs/dbraw/zinc/28/71/22/339287122.db2.gz NGRQWXSUTBELMC-FRFSOERESA-N -1 3 319.420 4.034 20 0 DIADHM CC[C@H](C)[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469396540 339287808 /nfs/dbraw/zinc/28/78/08/339287808.db2.gz YNXCQVSTTCCBJZ-YOEHRIQHSA-N -1 3 321.436 4.281 20 0 DIADHM CCC[C@@H]1CCCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000469558883 339293278 /nfs/dbraw/zinc/29/32/78/339293278.db2.gz QMWGVPBDIYKTEB-OAHLLOKOSA-N -1 3 307.409 4.035 20 0 DIADHM CCC1(CC)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469639004 339294811 /nfs/dbraw/zinc/29/48/11/339294811.db2.gz ZYLHSEMAVFJGPH-UHFFFAOYSA-N -1 3 321.436 4.283 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)Nc1ccsc1Cl ZINC000469664089 339295067 /nfs/dbraw/zinc/29/50/67/339295067.db2.gz YBGNXOBGSUUMTO-UHFFFAOYSA-N -1 3 313.781 4.208 20 0 DIADHM CCCn1c(C(=O)Nc2ccc([O-])cc2F)cc2ccccc21 ZINC000469809282 339301506 /nfs/dbraw/zinc/30/15/06/339301506.db2.gz MINCZKGTARIDCJ-UHFFFAOYSA-N -1 3 312.344 4.148 20 0 DIADHM [O-]c1cc(F)cc(CNCc2ccc(Cl)cc2Cl)c1 ZINC000471978432 339358612 /nfs/dbraw/zinc/35/86/12/339358612.db2.gz OHBWMMVPSFWFHE-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cc([O-])cc(F)c1 ZINC000472046480 339360502 /nfs/dbraw/zinc/36/05/02/339360502.db2.gz DYHKSEUUKXROAF-ADLMAVQZSA-N -1 3 303.352 4.084 20 0 DIADHM C[C@H]1CCc2c(F)cccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000472046482 339360510 /nfs/dbraw/zinc/36/05/10/339360510.db2.gz DYHKSEUUKXROAF-VOJFVSQTSA-N -1 3 303.352 4.084 20 0 DIADHM [O-]c1cc(F)cc(CNc2ccc(F)cc2OCC2CC2)c1 ZINC000472065052 339361901 /nfs/dbraw/zinc/36/19/01/339361901.db2.gz VWNIGHPYZJBOCJ-UHFFFAOYSA-N -1 3 305.324 4.071 20 0 DIADHM CC[C@@H](C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000472214649 339366184 /nfs/dbraw/zinc/36/61/84/339366184.db2.gz VDWKEEKXKDKHBR-NOZJJQNGSA-N -1 3 324.833 4.019 20 0 DIADHM Cc1cccc([O-])c1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000472488773 339372683 /nfs/dbraw/zinc/37/26/83/339372683.db2.gz UFNQSCORQZGVKI-AWEZNQCLSA-N -1 3 321.376 4.260 20 0 DIADHM CCCC[C@@H](CC)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000473263289 339383984 /nfs/dbraw/zinc/38/39/84/339383984.db2.gz LDOXKURPASYACO-LLVKDONJSA-N -1 3 317.351 4.357 20 0 DIADHM CCS[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C(C)C ZINC000476125207 339470024 /nfs/dbraw/zinc/47/00/24/339470024.db2.gz ACSBJEKPJLJAMQ-LBPRGKRZSA-N -1 3 321.364 4.127 20 0 DIADHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000477713864 339499522 /nfs/dbraw/zinc/49/95/22/339499522.db2.gz HAZJUAWFGPGXHU-JTQLQIEISA-N -1 3 309.287 4.153 20 0 DIADHM O=C(C/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC000478287934 339512606 /nfs/dbraw/zinc/51/26/06/339512606.db2.gz VXOMAACUCFDDMT-OWOJBTEDSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1csc(C(=O)Nc2cc(Cl)ccc2[O-])c1Cl ZINC000478331895 339513628 /nfs/dbraw/zinc/51/36/28/339513628.db2.gz BRCLIYGIFPMCEM-UHFFFAOYSA-N -1 3 302.182 4.321 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(OC)cc1F ZINC000484923827 339695570 /nfs/dbraw/zinc/69/55/70/339695570.db2.gz GCVLQUQIOVIZCH-UHFFFAOYSA-N -1 3 323.364 4.338 20 0 DIADHM CCc1cc(C(=O)N(CC)c2cccc(Cl)c2)ccc1[O-] ZINC000485656857 339708472 /nfs/dbraw/zinc/70/84/72/339708472.db2.gz OGYFKCQHBJXBII-UHFFFAOYSA-N -1 3 303.789 4.275 20 0 DIADHM CCc1cc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)ccc1[O-] ZINC000485666544 339708701 /nfs/dbraw/zinc/70/87/01/339708701.db2.gz GJHBEQBJUTZHBK-NSHDSACASA-N -1 3 319.351 4.066 20 0 DIADHM CCc1cc(C(=O)N(C)CCCCc2ccccc2)ccc1[O-] ZINC000485800473 339713188 /nfs/dbraw/zinc/71/31/88/339713188.db2.gz XLETTZGMMUPWSX-UHFFFAOYSA-N -1 3 311.425 4.050 20 0 DIADHM CCc1ccccc1-c1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000486051494 339719322 /nfs/dbraw/zinc/71/93/22/339719322.db2.gz GVCCTZBIHBQDKY-UHFFFAOYSA-N -1 3 314.772 4.249 20 0 DIADHM O=c1cc(C=Cc2ccc(Br)s2)nc(C2CC2)[n-]1 ZINC000486105265 339721258 /nfs/dbraw/zinc/72/12/58/339721258.db2.gz SMTHLXICRLJWHM-ARJAWSKDSA-N -1 3 323.215 4.054 20 0 DIADHM CCc1cc(C(=O)Nc2ccccc2OC(C)(C)C)ccc1[O-] ZINC000486475063 339727933 /nfs/dbraw/zinc/72/79/33/339727933.db2.gz YUVLSEFHTQMMLY-UHFFFAOYSA-N -1 3 313.397 4.384 20 0 DIADHM CCc1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)ccc1[O-] ZINC000486975675 339740940 /nfs/dbraw/zinc/74/09/40/339740940.db2.gz YNMPRQBJNSZEMY-UHFFFAOYSA-N -1 3 321.420 4.193 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccc([O-])cc1F ZINC000488922285 339797006 /nfs/dbraw/zinc/79/70/06/339797006.db2.gz VWJVDVKNLSDVBV-STQMWFEESA-N -1 3 313.372 4.459 20 0 DIADHM Cc1cc(C(=O)NC2CCC(c3ccccc3)CC2)ccc1[O-] ZINC000498561616 339803757 /nfs/dbraw/zinc/80/37/57/339803757.db2.gz XTXACUITBCJEQC-UHFFFAOYSA-N -1 3 309.409 4.157 20 0 DIADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1cccc(Cl)c1 ZINC000489596758 339813764 /nfs/dbraw/zinc/81/37/64/339813764.db2.gz VQWOBVXKQVNYLU-SNVBAGLBSA-N -1 3 324.207 4.119 20 0 DIADHM Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3[O-])cs2)cc1 ZINC000490642090 339836282 /nfs/dbraw/zinc/83/62/82/339836282.db2.gz TWBRTQKKRJEFLM-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000490650327 339836622 /nfs/dbraw/zinc/83/66/22/339836622.db2.gz QJSAEAUMPBBXSV-UHFFFAOYSA-N -1 3 318.804 4.379 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)c(F)c1 ZINC000498632797 340021292 /nfs/dbraw/zinc/02/12/92/340021292.db2.gz VBYLKABEMAUGEL-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1[O-] ZINC000499766229 340044531 /nfs/dbraw/zinc/04/45/31/340044531.db2.gz JNLQTBAUUMTJAR-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cc(C(=O)NC(C)(C)Cc2ccccc2Cl)ccc1[O-] ZINC000499914373 340046744 /nfs/dbraw/zinc/04/67/44/340046744.db2.gz LGKAKFOZSGEKIQ-UHFFFAOYSA-N -1 3 317.816 4.105 20 0 DIADHM CCCN(CCc1cccs1)C(=O)c1cc([O-])ccc1Cl ZINC000500272051 340054459 /nfs/dbraw/zinc/05/44/59/340054459.db2.gz MJAMKXHPBLKYLX-UHFFFAOYSA-N -1 3 323.845 4.202 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)c2c([O-])cccc21 ZINC000500469987 340060039 /nfs/dbraw/zinc/06/00/39/340060039.db2.gz RYDYVECUBMYPMA-JTQLQIEISA-N -1 3 319.763 4.339 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000500926586 340070210 /nfs/dbraw/zinc/07/02/10/340070210.db2.gz ZFARSOKDCLIQSY-UHFFFAOYSA-N -1 3 313.397 4.132 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)c2ccc3[nH]ccc3c2)c([O-])c1 ZINC000501948205 340091242 /nfs/dbraw/zinc/09/12/42/340091242.db2.gz NDOXJYJQXZYXQV-UHFFFAOYSA-N -1 3 308.381 4.423 20 0 DIADHM COc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1F ZINC000501950014 340091311 /nfs/dbraw/zinc/09/13/11/340091311.db2.gz QENUFBGALGKIIQ-UHFFFAOYSA-N -1 3 317.360 4.090 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2c(F)cccc2F)c([O-])c1 ZINC000501971545 340091771 /nfs/dbraw/zinc/09/17/71/340091771.db2.gz DCVULYJVIGPSGJ-UHFFFAOYSA-N -1 3 319.351 4.149 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000502665934 340109834 /nfs/dbraw/zinc/10/98/34/340109834.db2.gz IRQXVUDUFCIWGP-NWDGAFQWSA-N -1 3 322.191 4.441 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)c1 ZINC000502806763 340113895 /nfs/dbraw/zinc/11/38/95/340113895.db2.gz DZAKDTMOLJMASF-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCC(F)(F)C2)c1[O-] ZINC000503513321 340129480 /nfs/dbraw/zinc/12/94/80/340129480.db2.gz VUDXJWVJZQEGHU-VIFPVBQESA-N -1 3 303.736 4.118 20 0 DIADHM Cc1cc(C(=O)Nc2ccc3ccc(Cl)cc3n2)ccc1[O-] ZINC000504272089 340144109 /nfs/dbraw/zinc/14/41/09/340144109.db2.gz RLZZBEOASJVNAV-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CC[C@@H]1CCc2nc([N-]C(=O)c3cc(C(C)C)no3)sc2C1 ZINC000504717669 340151654 /nfs/dbraw/zinc/15/16/54/340151654.db2.gz WHCNLYSNFANENR-SNVBAGLBSA-N -1 3 319.430 4.022 20 0 DIADHM CC[C@H]1CCc2nc([N-]C(=O)c3cc(C(C)C)no3)sc2C1 ZINC000504717668 340151679 /nfs/dbraw/zinc/15/16/79/340151679.db2.gz WHCNLYSNFANENR-JTQLQIEISA-N -1 3 319.430 4.022 20 0 DIADHM CC(C)CCO[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506231305 340189406 /nfs/dbraw/zinc/18/94/06/340189406.db2.gz NOFINCBMVDYNJY-CYBMUJFWSA-N 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/nfs/dbraw/zinc/20/61/04/340206104.db2.gz HKSOQFDTNMPFMB-UHFFFAOYSA-N -1 3 319.326 4.099 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2c2ccc(F)cc2)c1F ZINC000507079118 340206716 /nfs/dbraw/zinc/20/67/16/340206716.db2.gz VAMKWKWZKMXBSE-OAHLLOKOSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1Cl ZINC000507080409 340206853 /nfs/dbraw/zinc/20/68/53/340206853.db2.gz AEHNCHJJKPAIAS-UHFFFAOYSA-N -1 3 317.816 4.131 20 0 DIADHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccccc2Cl)n1 ZINC000507154712 340209774 /nfs/dbraw/zinc/20/97/74/340209774.db2.gz KTGFLWKJSQZQHX-INIZCTEOSA-N -1 3 302.805 4.086 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2cccc(F)c2)c1F ZINC000507227057 340214699 /nfs/dbraw/zinc/21/46/99/340214699.db2.gz HSEZLNXRVFZXAB-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cccc([O-])c1 ZINC000508957650 340256362 /nfs/dbraw/zinc/25/63/62/340256362.db2.gz CHOVMPUDXYSPAX-KRWDZBQOSA-N -1 3 323.417 4.168 20 0 DIADHM O=C(Cc1ccc([O-])cc1Cl)N(CC1CC1)c1ccccc1 ZINC000508995578 340257580 /nfs/dbraw/zinc/25/75/80/340257580.db2.gz LPYIRHKSNHIZTR-UHFFFAOYSA-N -1 3 315.800 4.031 20 0 DIADHM CCCC[C@H](NC(=O)Cc1ccc([O-])cc1Cl)C1CCC1 ZINC000509022011 340258417 /nfs/dbraw/zinc/25/84/17/340258417.db2.gz JSZWZNAHQDAGJX-INIZCTEOSA-N -1 3 309.837 4.063 20 0 DIADHM O=C(c1cccc([O-])c1)N(CCc1ccccc1)C1CCCC1 ZINC000509040238 340259267 /nfs/dbraw/zinc/25/92/67/340259267.db2.gz NDYGFJPVPUZHPH-UHFFFAOYSA-N -1 3 309.409 4.020 20 0 DIADHM CC(C)(C)C[C@@H]1CCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000509072037 340260406 /nfs/dbraw/zinc/26/04/06/340260406.db2.gz YUWKCPVWVZJSRS-ZDUSSCGKSA-N -1 3 309.837 4.015 20 0 DIADHM CCN(C(=O)Cc1ccc([O-])cc1Cl)c1cccc(C)c1C ZINC000509097555 340261125 /nfs/dbraw/zinc/26/11/25/340261125.db2.gz ZTWXMQUDPYEVTG-UHFFFAOYSA-N -1 3 317.816 4.258 20 0 DIADHM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000509139423 340262058 /nfs/dbraw/zinc/26/20/58/340262058.db2.gz OVBKJQFYVIEWOP-SSKCKEOISA-N -1 3 315.800 4.173 20 0 DIADHM CC(C)(C)Cc1nc2cc(NC(=O)c3cccc([O-])c3)ccc2o1 ZINC000509156683 340262568 /nfs/dbraw/zinc/26/25/68/340262568.db2.gz TYDWQMRPTMUSFF-UHFFFAOYSA-N -1 3 324.380 4.374 20 0 DIADHM CC[C@@H](C)Oc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509192151 340263625 /nfs/dbraw/zinc/26/36/25/340263625.db2.gz AENHOFJJDHIRCQ-LLVKDONJSA-N -1 3 307.340 4.460 20 0 DIADHM CC(C)(C)[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(F)cc1F ZINC000509234653 340264147 /nfs/dbraw/zinc/26/41/47/340264147.db2.gz APFCXILIRNZWLG-INIZCTEOSA-N -1 3 319.351 4.188 20 0 DIADHM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000509291579 340265463 /nfs/dbraw/zinc/26/54/63/340265463.db2.gz VZWFEVGIRNJUNV-CYBMUJFWSA-N -1 3 315.438 4.384 20 0 DIADHM C[C@H](CNC(=O)c1cccc([O-])c1)c1c(Cl)cccc1Cl ZINC000509353433 340266980 /nfs/dbraw/zinc/26/69/80/340266980.db2.gz JRYBFXAVGGSPIM-SNVBAGLBSA-N -1 3 324.207 4.233 20 0 DIADHM Cc1cnc(-c2cccc(NCc3c(F)ccc([O-])c3F)c2)o1 ZINC000509449169 340269823 /nfs/dbraw/zinc/26/98/23/340269823.db2.gz HHZIMYVOCCDSTF-UHFFFAOYSA-N -1 3 316.307 4.246 20 0 DIADHM CC(C)(C)Oc1ccccc1NCc1c(F)ccc([O-])c1F ZINC000509481294 340271082 /nfs/dbraw/zinc/27/10/82/340271082.db2.gz SPRZIWFYXVQYOO-UHFFFAOYSA-N -1 3 307.340 4.460 20 0 DIADHM O=C(Nc1ccc(COc2ccccc2)cc1)c1cccc([O-])c1 ZINC000509507905 340271778 /nfs/dbraw/zinc/27/17/78/340271778.db2.gz DHNOXYNVUWDMBM-UHFFFAOYSA-N -1 3 319.360 4.224 20 0 DIADHM CCCn1c(=O)[n-]nc1SCc1ccc(SC(C)C)cc1 ZINC000510240711 340293728 /nfs/dbraw/zinc/29/37/28/340293728.db2.gz HJSFIIJVYPOTRN-UHFFFAOYSA-N -1 3 323.487 4.187 20 0 DIADHM [O-]c1ccc(F)c(CNCC2(Sc3ccccc3)CC2)c1F ZINC000510687537 340306599 /nfs/dbraw/zinc/30/65/99/340306599.db2.gz YYZPOMGNNDYVMY-UHFFFAOYSA-N -1 3 321.392 4.085 20 0 DIADHM CC(C)c1cnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000172676560 340336135 /nfs/dbraw/zinc/33/61/35/340336135.db2.gz JHUPLTNFWZUKGU-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000512978722 340386595 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O=C([O-])CC[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000521587462 340525666 /nfs/dbraw/zinc/52/56/66/340525666.db2.gz XULNNENRWXZLEB-MRXNPFEDSA-N -1 3 319.351 4.320 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc3c2CCC3)c2c([O-])cccc21 ZINC000192595513 340567883 /nfs/dbraw/zinc/56/78/83/340567883.db2.gz PHGFMIXWNZDEMZ-ZDUSSCGKSA-N -1 3 307.393 4.035 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000230995626 340621542 /nfs/dbraw/zinc/62/15/42/340621542.db2.gz RLFMKDZIQPKCDK-UHFFFAOYSA-N -1 3 307.136 4.416 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000524250816 340650823 /nfs/dbraw/zinc/65/08/23/340650823.db2.gz DCDDXBFIWSKJJT-UHFFFAOYSA-N -1 3 310.378 4.316 20 0 DIADHM CN(Cc1ccc(Cl)s1)C(=O)c1cc([O-])ccc1Cl ZINC000234306893 340652038 /nfs/dbraw/zinc/65/20/38/340652038.db2.gz MJDPAOSTBVCVHK-UHFFFAOYSA-N -1 3 316.209 4.033 20 0 DIADHM [O-]c1ccc(F)c(CN[C@@H]2CCc3cc(Cl)ccc32)c1F ZINC000529665876 340767034 /nfs/dbraw/zinc/76/70/34/340767034.db2.gz PFJIDKCXMFNTMG-CQSZACIVSA-N -1 3 309.743 4.101 20 0 DIADHM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccccc1[O-] ZINC000539113322 340874054 /nfs/dbraw/zinc/87/40/54/340874054.db2.gz UZYNEHPSBLOKFM-HNNXBMFYSA-N -1 3 320.392 4.250 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000128467486 340888224 /nfs/dbraw/zinc/88/82/24/340888224.db2.gz BGUJTGQFEBINDZ-UHFFFAOYSA-N -1 3 324.355 4.144 20 0 DIADHM CC(C)c1cc(C(=O)N(C)[C@@H]2CCSC2)c([O-])c(C(C)C)c1 ZINC000539868638 340907674 /nfs/dbraw/zinc/90/76/74/340907674.db2.gz NRNIJMWIABISRM-CQSZACIVSA-N -1 3 321.486 4.217 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c1 ZINC000539916165 340909786 /nfs/dbraw/zinc/90/97/86/340909786.db2.gz CEWOTEYVGNXYBD-UHFFFAOYSA-N -1 3 321.420 4.247 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(F)c(Cl)cc1Cl ZINC000128744090 340911366 /nfs/dbraw/zinc/91/13/66/340911366.db2.gz YHJRMJBOKRHNFA-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM C[C@]12CC3CC(C(=O)Nc4cccc([O-])c4F)(C1)C[C@@](C)(C3)C2 ZINC000129274693 340952682 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Cc1cscc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134108745 341206619 /nfs/dbraw/zinc/20/66/19/341206619.db2.gz RMITUYYYVIZITG-UHFFFAOYSA-N -1 3 301.289 4.033 20 0 DIADHM C[C@H](C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1cccs1 ZINC000134221659 341210048 /nfs/dbraw/zinc/21/00/48/341210048.db2.gz PLXGAMYECACQDR-QMMMGPOBSA-N -1 3 315.316 4.215 20 0 DIADHM Cc1cc(Br)cc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000135335820 341237220 /nfs/dbraw/zinc/23/72/20/341237220.db2.gz TUAYYXIQYHRHKJ-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM Cc1ccc(-c2cncc(C(=O)Nc3ccccc3[O-])c2)cc1 ZINC000135776365 341245799 /nfs/dbraw/zinc/24/57/99/341245799.db2.gz JDSVMGABFKGAHC-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM CSCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000079332527 341256773 /nfs/dbraw/zinc/25/67/73/341256773.db2.gz DGABBDUPOQCNLU-UHFFFAOYSA-N -1 3 322.842 4.168 20 0 DIADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1c(F)cccc1F ZINC000138060282 341290466 /nfs/dbraw/zinc/29/04/66/341290466.db2.gz GZHIJIOCUOQWBV-MRVPVSSYSA-N -1 3 311.715 4.066 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[O-]c1ccc(Br)c(CNc2cc(C3CC3)ccn2)c1 ZINC000353128047 526341767 /nfs/dbraw/zinc/34/17/67/526341767.db2.gz SYFUDIBCSLXPHO-UHFFFAOYSA-N -1 3 319.202 4.039 20 0 DIADHM Cc1nnsc1C(=O)[N-]c1ccccc1SC1CCCC1 ZINC000191368467 526446907 /nfs/dbraw/zinc/44/69/07/526446907.db2.gz YPXUBOUIPSGSEJ-UHFFFAOYSA-N -1 3 319.455 4.134 20 0 DIADHM O=C([O-])CCCCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000181545171 527582237 /nfs/dbraw/zinc/58/22/37/527582237.db2.gz HBQXVIMMBJWSPB-AWEZNQCLSA-N -1 3 316.228 4.385 20 0 DIADHM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000525439487 1035762055 /nfs/dbraw/zinc/76/20/55/1035762055.db2.gz VZGSNBSCVXOSGG-HNNXBMFYSA-N -1 3 322.424 4.032 20 0 DIADHM Cc1ccc(C(=O)Nc2cnccc2-c2ccccc2)c([O-])c1 ZINC000683224569 1035781277 /nfs/dbraw/zinc/78/12/77/1035781277.db2.gz MDLIXQSTQLISTR-UHFFFAOYSA-N -1 3 304.349 4.015 20 0 DIADHM O=C(/C=C/SCc1ccco1)Nc1ccc(Cl)cc1[O-] ZINC000179637568 1035914414 /nfs/dbraw/zinc/91/44/14/1035914414.db2.gz GHGDMZKGIMEKQL-FNORWQNLSA-N -1 3 309.774 4.024 20 0 DIADHM CCOc1cccc(NCc2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000076275227 1036213850 /nfs/dbraw/zinc/21/38/50/1036213850.db2.gz GPXYHAIDPWHOBE-UHFFFAOYSA-N -1 3 321.804 4.455 20 0 DIADHM COc1c(F)ccc(Nc2c(F)cc([O-])cc2F)c1Cl ZINC001209806814 1036260341 /nfs/dbraw/zinc/26/03/41/1036260341.db2.gz MFEYPDRGVYJVLB-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM CCc1c(Cl)cc(Nc2cnc(N)cc2C)c([O-])c1Cl ZINC001209968999 1036327449 /nfs/dbraw/zinc/32/74/49/1036327449.db2.gz HHNVSZBKLLLYID-UHFFFAOYSA-N -1 3 312.200 4.291 20 0 DIADHM [O-]c1cc(Nc2cc(C(F)(F)F)ccc2O)c(F)cc1F ZINC001209982722 1036334124 /nfs/dbraw/zinc/33/41/24/1036334124.db2.gz UMDWNQZWLLRREB-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM CC(=O)c1cc(Nc2ccc([O-])c(C(F)(F)F)c2)ccc1O ZINC001209985598 1036336881 /nfs/dbraw/zinc/33/68/81/1036336881.db2.gz FXECPWXHWXAZPM-UHFFFAOYSA-N -1 3 311.259 4.063 20 0 DIADHM Cc1cccc(C(=O)Nc2nc(C3CCCCC3)cs2)c1[O-] ZINC001648804950 1036404507 /nfs/dbraw/zinc/40/45/07/1036404507.db2.gz SQPJBXOLQGNWSC-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1[O-] ZINC000169967100 1036413006 /nfs/dbraw/zinc/41/30/06/1036413006.db2.gz PVIDLFSEBZYRLA-UHFFFAOYSA-N -1 3 302.761 4.214 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C(C)C)s2)c1[O-] ZINC000579956863 1036595636 /nfs/dbraw/zinc/59/56/36/1036595636.db2.gz UGEYXDWWOWPIHG-UHFFFAOYSA-N -1 3 303.383 4.032 20 0 DIADHM O=C([N-]c1cc(-c2cccs2)on1)c1sccc1Cl ZINC001648900421 1036680813 /nfs/dbraw/zinc/68/08/13/1036680813.db2.gz VMXXLXYHSBFDST-UHFFFAOYSA-N -1 3 310.787 4.370 20 0 DIADHM [O-]c1cccc(Nc2cncc(OC(F)(F)F)c2)c1Cl ZINC001210855191 1037013990 /nfs/dbraw/zinc/01/39/90/1037013990.db2.gz KFPUNECIZLCFEP-UHFFFAOYSA-N -1 3 304.655 4.083 20 0 DIADHM Cc1cccc(-c2cc(Nc3cccc([O-])c3Cl)n(C)n2)c1 ZINC001210855455 1037014264 /nfs/dbraw/zinc/01/42/64/1037014264.db2.gz OHBJXSJUEJCRGL-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM CCOC(=O)CCc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210859907 1037016724 /nfs/dbraw/zinc/01/67/24/1037016724.db2.gz LSKKOBPZFGNBLL-UHFFFAOYSA-N -1 3 319.788 4.285 20 0 DIADHM CC(C)(C)c1nnc2ccc(Nc3cccc([O-])c3Cl)cn21 ZINC001210855774 1037017049 /nfs/dbraw/zinc/01/70/49/1037017049.db2.gz WHJQPCNUJSMUHQ-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1cccc(Nc2ncccc2N2CCCCC2)c1Cl ZINC001210855469 1037018856 /nfs/dbraw/zinc/01/88/56/1037018856.db2.gz OZGFUUWUBIXJCB-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM [O-]c1cccc(Nc2ccc3nc(C4CCC4)nn3c2)c1Cl ZINC001210855726 1037019206 /nfs/dbraw/zinc/01/92/06/1037019206.db2.gz TXYFNQVQRXDKEI-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM COC(=O)c1cc(C)c(C)c(Nc2cccc([O-])c2Cl)c1 ZINC001210859750 1037021061 /nfs/dbraw/zinc/02/10/61/1037021061.db2.gz MSHLGYMDFCPUEK-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM COc1c(F)cc(F)cc1Nc1nc2c(cccc2[O-])s1 ZINC001210865615 1037021172 /nfs/dbraw/zinc/02/11/72/1037021172.db2.gz RSDNRVJRFKEWHO-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM Cc1cccc2ncc(Nc3cc(Cl)c([O-])c(Cl)c3)n21 ZINC001210926258 1037059820 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ZINC000317032082 1037721045 /nfs/dbraw/zinc/72/10/45/1037721045.db2.gz VFVHGYXIWQYGSQ-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000602324884 1037981048 /nfs/dbraw/zinc/98/10/48/1037981048.db2.gz IFSKHKFFHQMVEF-ZDUSSCGKSA-N -1 3 303.789 4.253 20 0 DIADHM O=C(Cc1ccc2ccccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000008187796 1038011965 /nfs/dbraw/zinc/01/19/65/1038011965.db2.gz RQKVXEBGBTZHCP-UHFFFAOYSA-N -1 3 311.768 4.380 20 0 DIADHM Cc1oc([C@H](C)N2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000514731439 1038342757 /nfs/dbraw/zinc/34/27/57/1038342757.db2.gz WSRZBHPDLZIGTK-GWCFXTLKSA-N -1 3 305.399 4.246 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2cc(F)ccc2o1 ZINC000605180103 1038492365 /nfs/dbraw/zinc/49/23/65/1038492365.db2.gz IULMMPPUDMXGKG-UHFFFAOYSA-N -1 3 305.692 4.183 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2OC(C)C)c1 ZINC000605278475 1038504259 /nfs/dbraw/zinc/50/42/59/1038504259.db2.gz RJKLMYNAUYWOKP-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1 ZINC000014255524 1038536733 /nfs/dbraw/zinc/53/67/33/1038536733.db2.gz KENWNVJVCGQTMO-UHFFFAOYSA-N -1 3 317.454 4.311 20 0 DIADHM C[C@H]1CC(C)(C)CN1[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000563280145 1038610255 /nfs/dbraw/zinc/61/02/55/1038610255.db2.gz LEYTTXHHVJSSRI-ZANVPECISA-N -1 3 316.228 4.240 20 0 DIADHM CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000606537308 1038612995 /nfs/dbraw/zinc/61/29/95/1038612995.db2.gz WQSVSVGAZVTEMQ-MRXNPFEDSA-N -1 3 321.436 4.390 20 0 DIADHM CCCCC1CCC(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000606537163 1038613012 /nfs/dbraw/zinc/61/30/12/1038613012.db2.gz UMUODIZLICJXLJ-UHFFFAOYSA-N -1 3 307.409 4.144 20 0 DIADHM [O-]c1ccc(CNc2cccc(COCC3CC3)c2)cc1F ZINC000892278420 1038753289 /nfs/dbraw/zinc/75/32/89/1038753289.db2.gz RQNZWHBLMXCUGJ-UHFFFAOYSA-N -1 3 301.361 4.070 20 0 DIADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)c(F)c1 ZINC000608354591 1038827056 /nfs/dbraw/zinc/82/70/56/1038827056.db2.gz PEPPJCBTBWMXKI-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM CC(C)Cc1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000534211552 1039006479 /nfs/dbraw/zinc/00/64/79/1039006479.db2.gz VBDMFQMYDLZDTE-UHFFFAOYSA-N -1 3 315.388 4.301 20 0 DIADHM COc1cc(C)cc(Nc2cccc([O-])c2Br)c1 ZINC001211734054 1039021407 /nfs/dbraw/zinc/02/14/07/1039021407.db2.gz WSRQEAPNNQSQMF-UHFFFAOYSA-N -1 3 308.175 4.215 20 0 DIADHM Cc1cnn(-c2ccc(F)cc2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213377657 1039149716 /nfs/dbraw/zinc/14/97/16/1039149716.db2.gz VLRQLPWLBIHWHG-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM CCCC[C@@H](CC)CCN[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000426732946 1039149864 /nfs/dbraw/zinc/14/98/64/1039149864.db2.gz VYONICKNNQCDFU-MLGOLLRUSA-N -1 3 313.388 4.287 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000154058613 1039161171 /nfs/dbraw/zinc/16/11/71/1039161171.db2.gz QBGVTGPREUPQFT-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3[O-])coc2c1 ZINC000535441082 1039214154 /nfs/dbraw/zinc/21/41/54/1039214154.db2.gz JULWEEXNBZHPSE-UHFFFAOYSA-N -1 3 315.756 4.281 20 0 DIADHM Cc1cc2cnc(-c3ccc([O-])cc3C(F)(F)F)nc2s1 ZINC001205072951 1039238880 /nfs/dbraw/zinc/23/88/80/1039238880.db2.gz CUBRDTGJHNPYGO-UHFFFAOYSA-N -1 3 310.300 4.391 20 0 DIADHM Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000150898069 1039276050 /nfs/dbraw/zinc/27/60/50/1039276050.db2.gz LXURPCVXUMQGKC-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000584058346 1039584254 /nfs/dbraw/zinc/58/42/54/1039584254.db2.gz RMDGOXXJSGKSKI-RBZYPMLTSA-N -1 3 316.228 4.097 20 0 DIADHM Cc1oc([C@@H](C)N2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000565103844 1039601319 /nfs/dbraw/zinc/60/13/19/1039601319.db2.gz BUHYPSIXYHBLBL-LLVKDONJSA-N -1 3 319.426 4.288 20 0 DIADHM C[C@H](Oc1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001233867423 1039798597 /nfs/dbraw/zinc/79/85/97/1039798597.db2.gz DWEAEQQYKZTDIQ-VIFPVBQESA-N -1 3 311.150 4.434 20 0 DIADHM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000570286086 1040684829 /nfs/dbraw/zinc/68/48/29/1040684829.db2.gz BLWNJHPQEKLDGD-RULNRJAQSA-N -1 3 316.228 4.097 20 0 DIADHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc(Cl)cc1[O-] ZINC000613026710 1040763909 /nfs/dbraw/zinc/76/39/09/1040763909.db2.gz IDKBLQWFSBBJGJ-JSGCOSHPSA-N -1 3 315.747 4.200 20 0 DIADHM Cc1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)cc1 ZINC001211646924 1041352030 /nfs/dbraw/zinc/35/20/30/1041352030.db2.gz CSLRLFYTLBEGNX-UHFFFAOYSA-N -1 3 312.756 4.124 20 0 DIADHM O=C([O-])CCCCCCNCc1c(Cl)cccc1Cl ZINC000311702107 1041358478 /nfs/dbraw/zinc/35/84/78/1041358478.db2.gz UQRYLDFBJXVGOF-UHFFFAOYSA-N -1 3 304.217 4.118 20 0 DIADHM CCCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000590124431 1041372434 /nfs/dbraw/zinc/37/24/34/1041372434.db2.gz VEPALPKPLYOOMK-UHFFFAOYSA-N -1 3 314.772 4.032 20 0 DIADHM O=C(OC[C@H]1CC1(Cl)Cl)c1cc2cc(Cl)sc2[n-]1 ZINC000810608551 1041416002 /nfs/dbraw/zinc/41/60/02/1041416002.db2.gz 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CC1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)CC(C)(C)C1 ZINC000661624868 1041962711 /nfs/dbraw/zinc/96/27/11/1041962711.db2.gz CQRAPTRMTMBZMW-UHFFFAOYSA-N -1 3 319.474 4.045 20 0 DIADHM CC(C)c1ccc(C(=O)NCCc2ccc(Cl)cc2)c([O-])c1 ZINC001135252878 1041999954 /nfs/dbraw/zinc/99/99/54/1041999954.db2.gz FXVJHURJQSDDHX-UHFFFAOYSA-N -1 3 317.816 4.142 20 0 DIADHM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)cc1[O-] ZINC001135486818 1042036820 /nfs/dbraw/zinc/03/68/20/1042036820.db2.gz IFNRIKOTYJWVEG-UHFFFAOYSA-N -1 3 313.397 4.259 20 0 DIADHM CCCC[C@H](C(=O)[O-])N(C)Cc1oc2c(cccc2C)c1C ZINC000652510585 1042063402 /nfs/dbraw/zinc/06/34/02/1042063402.db2.gz FJLNZBFOCFMDOP-OAHLLOKOSA-N -1 3 303.402 4.125 20 0 DIADHM CCOc1ccc(NCc2c(F)ccc([O-])c2F)cc1Cl ZINC000816523030 1042065041 /nfs/dbraw/zinc/06/50/41/1042065041.db2.gz ZIRBEHGVXLGLSZ-UHFFFAOYSA-N -1 3 313.731 4.335 20 0 DIADHM CCCc1cnc([N-]C(=O)c2snc(Cl)c2Cl)s1 ZINC000816963102 1042089984 /nfs/dbraw/zinc/08/99/84/1042089984.db2.gz XQUDKDBDXRITMD-UHFFFAOYSA-N -1 3 322.242 4.111 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001135794948 1042091168 /nfs/dbraw/zinc/09/11/68/1042091168.db2.gz ZCCVCGQCYMGXSD-HZSPNIEDSA-N -1 3 319.470 4.203 20 0 DIADHM C[C@@H](CC(=O)[N-]OCCC1CC1)c1ccccc1C(F)(F)F ZINC000817408589 1042107266 /nfs/dbraw/zinc/10/72/66/1042107266.db2.gz YJZMZHIXMCKQIP-NSHDSACASA-N -1 3 315.335 4.047 20 0 DIADHM CCOc1ccc(OC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001135911436 1042107336 /nfs/dbraw/zinc/10/73/36/1042107336.db2.gz IGPPWVJXLBIYIN-UHFFFAOYSA-N -1 3 314.362 4.225 20 0 DIADHM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162945013 1042160995 /nfs/dbraw/zinc/16/09/95/1042160995.db2.gz IOTCWRADBLVTDU-LBPRGKRZSA-N -1 3 317.351 4.304 20 0 DIADHM CCCCCC[C@H](CC)CN(C)C(=O)c1c([O-])cccc1OC ZINC001167823368 1042205530 /nfs/dbraw/zinc/20/55/30/1042205530.db2.gz MOJTXMLSKGNELJ-HNNXBMFYSA-N -1 3 321.461 4.469 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(OC(C)C)cc2C)c1[O-] ZINC001136321281 1042210953 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Cc1ccc(-c2c[nH]cc2C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000187271680 1042309729 /nfs/dbraw/zinc/30/97/29/1042309729.db2.gz QWOGVEZLYOMWQY-UHFFFAOYSA-N -1 3 316.357 4.149 20 0 DIADHM C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227831299 1042500231 /nfs/dbraw/zinc/50/02/31/1042500231.db2.gz ZXBHPBNEHPEMNH-BMIGLBTASA-N -1 3 316.228 4.241 20 0 DIADHM COc1cc(SC)ccc1NCc1c(F)ccc([O-])c1F ZINC000513282012 1042531699 /nfs/dbraw/zinc/53/16/99/1042531699.db2.gz VNTVNTSTEUUASP-UHFFFAOYSA-N -1 3 311.353 4.013 20 0 DIADHM [O-]c1cccc(CN2CCC(CC(F)(F)F)CC2)c1Cl ZINC000513633366 1042555056 /nfs/dbraw/zinc/55/50/56/1042555056.db2.gz LUOLGLHFCOSIAS-UHFFFAOYSA-N -1 3 307.743 4.210 20 0 DIADHM O=C([O-])c1ccoc1CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000517159801 1042869538 /nfs/dbraw/zinc/86/95/38/1042869538.db2.gz ZHPYZTWYNWRJQN-UHFFFAOYSA-N -1 3 319.788 4.011 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1c1cccs1 ZINC000518948739 1042926461 /nfs/dbraw/zinc/92/64/61/1042926461.db2.gz BAIKJMOHDFUSAL-OAHLLOKOSA-N -1 3 309.381 4.315 20 0 DIADHM CCc1cccc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)c1[O-] ZINC001167972008 1042964016 /nfs/dbraw/zinc/96/40/16/1042964016.db2.gz HGMRDNJUROOSKU-FQEVSTJZSA-N -1 3 309.409 4.010 20 0 DIADHM Cc1ccc([C@H](CC(=O)[O-])NCc2cc3ccccc3s2)o1 ZINC000426770991 1042979832 /nfs/dbraw/zinc/97/98/32/1042979832.db2.gz YBKHSSAPMPCJHP-AWEZNQCLSA-N -1 3 315.394 4.108 20 0 DIADHM [O-]c1ccc(CNCc2c(Cl)cccc2Cl)cc1F ZINC000120463673 1043072223 /nfs/dbraw/zinc/07/22/23/1043072223.db2.gz FVCPUCGLZNQJSJ-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000192722098 1043272692 /nfs/dbraw/zinc/27/26/92/1043272692.db2.gz NHZFGUNTXOBVQQ-KBPBESRZSA-N -1 3 307.397 4.056 20 0 DIADHM C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1F ZINC000872018278 1043418610 /nfs/dbraw/zinc/41/86/10/1043418610.db2.gz JSGHWBNSCCTPRB-SNVBAGLBSA-N -1 3 313.294 4.401 20 0 DIADHM C[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc([O-])c1F ZINC000872017830 1043419426 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/nfs/dbraw/zinc/07/30/02/1047073002.db2.gz NMKWVKVPGCCQSA-UHFFFAOYSA-N -1 3 320.389 4.057 20 0 DIADHM C=Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001141305782 1047083536 /nfs/dbraw/zinc/08/35/36/1047083536.db2.gz RJFLGGZTPJAFLQ-UHFFFAOYSA-N -1 3 317.388 4.161 20 0 DIADHM O=C(CCc1ccc(F)c2ccccc12)[N-]OCc1ccccc1 ZINC001141338659 1047098425 /nfs/dbraw/zinc/09/84/25/1047098425.db2.gz CWHKBWGTSVELEW-UHFFFAOYSA-N -1 3 323.367 4.160 20 0 DIADHM CCN(Cc1ccc(Cl)cc1)C(=O)c1c(C)cccc1[O-] ZINC001141521797 1047159839 /nfs/dbraw/zinc/15/98/39/1047159839.db2.gz PAJBGUGULWYWBD-UHFFFAOYSA-N -1 3 303.789 4.016 20 0 DIADHM CC(C)(CNC(=O)c1cc2sccc2c([O-])c1)C1=CCCC1 ZINC001625985897 1047219929 /nfs/dbraw/zinc/21/99/29/1047219929.db2.gz SXWSMHSKAQHIHG-UHFFFAOYSA-N -1 3 315.438 4.473 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1[O-] ZINC001141649555 1047247284 /nfs/dbraw/zinc/24/72/84/1047247284.db2.gz QISNCGGGMQTXLM-RBSFLKMASA-N -1 3 315.413 4.140 20 0 DIADHM CSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000389342337 1047289871 /nfs/dbraw/zinc/28/98/71/1047289871.db2.gz SMKMNIWZUIFHCV-UHFFFAOYSA-N -1 3 320.345 4.017 20 0 DIADHM Cc1ccccc1C1(NC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000652515592 1047365456 /nfs/dbraw/zinc/36/54/56/1047365456.db2.gz HEIXGKGNHBRELX-UHFFFAOYSA-N -1 3 315.800 4.163 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCC3(CC(F)C3)CC2)c(Cl)c1 ZINC001142105672 1047380721 /nfs/dbraw/zinc/38/07/21/1047380721.db2.gz JSHLJYDCFPDXOG-UHFFFAOYSA-N -1 3 318.219 4.413 20 0 DIADHM [O-]c1cc(Cl)c(CN2CCOc3ccccc3C2)c(Cl)c1 ZINC001142115036 1047382940 /nfs/dbraw/zinc/38/29/40/1047382940.db2.gz UWEOCLOLCNMYQO-UHFFFAOYSA-N -1 3 324.207 4.094 20 0 DIADHM C[C@@H]1c2cccn2CCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142118359 1047383662 /nfs/dbraw/zinc/38/36/62/1047383662.db2.gz IMAHXOXINXWEGP-SNVBAGLBSA-N -1 3 311.212 4.077 20 0 DIADHM CCN(Cc1c(Cl)cc([O-])cc1Cl)CC(F)(F)F ZINC001142114565 1047383684 /nfs/dbraw/zinc/38/36/84/1047383684.db2.gz JIKGLNKCTZFSJQ-UHFFFAOYSA-N -1 3 302.123 4.083 20 0 DIADHM COCC[C@@H]1CCCCN1Cc1c(Cl)cc([O-])cc1Cl ZINC001142114881 1047384175 /nfs/dbraw/zinc/38/41/75/1047384175.db2.gz RDNNZHMILQGOTM-NSHDSACASA-N -1 3 318.244 4.090 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(COC(C)C)c2)c([O-])c1 ZINC001142187292 1047395868 /nfs/dbraw/zinc/39/58/68/1047395868.db2.gz DRPAXDJDGONTTP-UHFFFAOYSA-N -1 3 313.397 4.132 20 0 DIADHM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001142215286 1047398676 /nfs/dbraw/zinc/39/86/76/1047398676.db2.gz RUPPUNKLVXIXPO-WBVHZDCISA-N -1 3 309.409 4.102 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC001142210950 1047399179 /nfs/dbraw/zinc/39/91/79/1047399179.db2.gz AGWLBZNMANEHGS-UHFFFAOYSA-N -1 3 319.404 4.434 20 0 DIADHM Cc1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)c([O-])c1 ZINC001142212111 1047399593 /nfs/dbraw/zinc/39/95/93/1047399593.db2.gz DDXMBNMTIZYZIK-UHFFFAOYSA-N -1 3 316.426 4.068 20 0 DIADHM C/C(=C\C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000749266793 1047405274 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CC(C)c1ccc(CCC(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001143260796 1047545692 /nfs/dbraw/zinc/54/56/92/1047545692.db2.gz MOGUMFTXUZNGDM-UHFFFAOYSA-N -1 3 301.361 4.226 20 0 DIADHM C[C@H]1c2ccccc2CCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001149224530 1047557392 /nfs/dbraw/zinc/55/73/92/1047557392.db2.gz RFJGEQYNARSIET-LBPRGKRZSA-N -1 3 323.417 4.366 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)c1[O-] ZINC001149971818 1047572092 /nfs/dbraw/zinc/57/20/92/1047572092.db2.gz IYDOLEFJULQCJU-INIZCTEOSA-N -1 3 315.800 4.025 20 0 DIADHM CC(C)Cc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC001150111931 1047573999 /nfs/dbraw/zinc/57/39/99/1047573999.db2.gz HTYLPUGZVGIETH-UHFFFAOYSA-N -1 3 303.789 4.496 20 0 DIADHM Cc1cc(C(=O)Nc2cc([O-])cc(Cl)c2)c2ccccc2n1 ZINC001150673736 1047581247 /nfs/dbraw/zinc/58/12/47/1047581247.db2.gz PJADYGQZQPWRSK-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCCNc1ccc(Cl)cc1NC(=O)c1cccc(C)c1[O-] ZINC001150834950 1047586090 /nfs/dbraw/zinc/58/60/90/1047586090.db2.gz BPAZIMJOOXOKSL-UHFFFAOYSA-N -1 3 318.804 4.428 20 0 DIADHM CCc1ccc(C(=O)N[C@H](c2cccc(C)c2)C(C)C)c([O-])c1 ZINC001150929306 1047587957 /nfs/dbraw/zinc/58/79/57/1047587957.db2.gz UJAOVCCFRSARPF-IBGZPJMESA-N -1 3 311.425 4.390 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC001150945361 1047588197 /nfs/dbraw/zinc/58/81/97/1047588197.db2.gz SSQXHFNHXBYUEV-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000315359459 1047603582 /nfs/dbraw/zinc/60/35/82/1047603582.db2.gz DXEUAKDXGILCLW-AWEZNQCLSA-N -1 3 320.230 4.396 20 0 DIADHM O=C(Nc1cc(F)cc(Cl)c1)c1cc([O-])ccc1Cl ZINC000230022375 1047604158 /nfs/dbraw/zinc/60/41/58/1047604158.db2.gz QLMOTLMMGYDABE-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM Cc1cccc(C(=O)Nc2nc(Cc3ccccc3)cs2)c1[O-] ZINC001152123006 1047607756 /nfs/dbraw/zinc/60/77/56/1047607756.db2.gz UFVAWXORUMBVHS-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000477361260 1047615002 /nfs/dbraw/zinc/61/50/02/1047615002.db2.gz ZPOHMKICUOTGKF-SECBINFHSA-N -1 3 310.369 4.017 20 0 DIADHM O=C(NC/C=C\c1ccccc1)c1cc2sccc2c([O-])c1 ZINC001152831371 1047616464 /nfs/dbraw/zinc/61/64/64/1047616464.db2.gz WXQVLTHPXQVBBB-DAXSKMNVSA-N -1 3 309.390 4.050 20 0 DIADHM CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C)c(F)c1 ZINC001152923061 1047617389 /nfs/dbraw/zinc/61/73/89/1047617389.db2.gz WDEKRUMSHXTPST-INIZCTEOSA-N -1 3 321.779 4.374 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@]2(C)c2ccccc2)c([O-])c1 ZINC001153421211 1047623453 /nfs/dbraw/zinc/62/34/53/1047623453.db2.gz SRVGORIDYHCBJI-HXUWFJFHSA-N -1 3 309.409 4.106 20 0 DIADHM CC1CCC(=CC(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001153467936 1047624755 /nfs/dbraw/zinc/62/47/55/1047624755.db2.gz LXVFJYVIURXCRL-UHFFFAOYSA-N -1 3 324.218 4.230 20 0 DIADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC001153462244 1047624795 /nfs/dbraw/zinc/62/47/95/1047624795.db2.gz SMBWMTJLCGMDGW-GXFFZTMASA-N -1 3 319.788 4.333 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1-c1ccncc1 ZINC001153462454 1047624914 /nfs/dbraw/zinc/62/49/14/1047624914.db2.gz XHIAIIHPENRBBE-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CCCn1c(C(=O)Nc2cc(F)ccc2[O-])cc2ccccc21 ZINC001153468781 1047624962 /nfs/dbraw/zinc/62/49/62/1047624962.db2.gz VWJDYBCBZYSTOW-UHFFFAOYSA-N -1 3 312.344 4.148 20 0 DIADHM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001153462346 1047625258 /nfs/dbraw/zinc/62/52/58/1047625258.db2.gz WVPADCYRUYNALM-UHFFFAOYSA-N -1 3 303.789 4.270 20 0 DIADHM CC(C)(C)CCCC(=O)Nc1cc(Br)ccc1[O-] ZINC001153473711 1047626161 /nfs/dbraw/zinc/62/61/61/1047626161.db2.gz QFEJFPILQFBWNC-UHFFFAOYSA-N -1 3 314.223 4.310 20 0 DIADHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1c([O-])ccc2ccccc21 ZINC001153510209 1047627001 /nfs/dbraw/zinc/62/70/01/1047627001.db2.gz MDZYQBXTVBPZNG-GFCCVEGCSA-N -1 3 319.351 4.101 20 0 DIADHM Cc1nc(-c2ccccc2NC(=O)c2cc(C)ccc2[O-])cs1 ZINC000477708214 1047631272 /nfs/dbraw/zinc/63/12/72/1047631272.db2.gz QGCMDLDYIRQRCJ-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CC(C)[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1F ZINC001153950559 1047636632 /nfs/dbraw/zinc/63/66/32/1047636632.db2.gz NTSQQWMEDJZDPJ-INIZCTEOSA-N -1 3 321.779 4.312 20 0 DIADHM CN(C)c1ccc(F)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001154228232 1047643153 /nfs/dbraw/zinc/64/31/53/1047643153.db2.gz LLBQSUCDAJKOMU-UHFFFAOYSA-N -1 3 324.355 4.003 20 0 DIADHM O=C(CCc1ccc2ccccc2c1)[N-]Oc1ccccc1F ZINC001154215361 1047643399 /nfs/dbraw/zinc/64/33/99/1047643399.db2.gz DISBBNXRZYACPN-UHFFFAOYSA-N -1 3 309.340 4.022 20 0 DIADHM O=C(NC1(C2CC2)CCC1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001154762569 1047655886 /nfs/dbraw/zinc/65/58/86/1047655886.db2.gz VMUPBFYWSWDJSR-UHFFFAOYSA-N -1 3 321.420 4.046 20 0 DIADHM CC[C@@H](CN(CC)C(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC001154791894 1047656434 /nfs/dbraw/zinc/65/64/34/1047656434.db2.gz GHPVDPLKMAKINI-INIZCTEOSA-N -1 3 311.425 4.357 20 0 DIADHM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)[N-]OC1CCCCC1 ZINC001155047002 1047665826 /nfs/dbraw/zinc/66/58/26/1047665826.db2.gz DJLMURYCVFGSPZ-NWDGAFQWSA-N -1 3 307.356 4.126 20 0 DIADHM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N-]OC1CCCCC1 ZINC001155047004 1047666287 /nfs/dbraw/zinc/66/62/87/1047666287.db2.gz DJLMURYCVFGSPZ-VXGBXAGGSA-N -1 3 307.356 4.126 20 0 DIADHM CC(C)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC001155280652 1047675098 /nfs/dbraw/zinc/67/50/98/1047675098.db2.gz IGVJPPUSRDBLRV-KRWDZBQOSA-N -1 3 317.816 4.043 20 0 DIADHM Cc1cc(C)c2cc(NC(=O)c3c(C)cccc3[O-])ccc2n1 ZINC001155325350 1047677326 /nfs/dbraw/zinc/67/73/26/1047677326.db2.gz MYWGDRARASARMV-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM C[C@H](CCNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC001155885649 1047690637 /nfs/dbraw/zinc/69/06/37/1047690637.db2.gz LTJBUQOHUURRFV-OAHLLOKOSA-N -1 3 319.404 4.469 20 0 DIADHM CCCCCC[C@@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063386 1047810056 /nfs/dbraw/zinc/81/00/56/1047810056.db2.gz LQBSJXIJCXOKOB-GFCCVEGCSA-N -1 3 303.406 4.204 20 0 DIADHM CCc1ccc(C(=O)N2CCc3cc(C(C)C)ccc3C2)c([O-])c1 ZINC001649003444 1047810001 /nfs/dbraw/zinc/81/00/01/1047810001.db2.gz QZXYITAPVPBTLB-UHFFFAOYSA-N -1 3 323.436 4.277 20 0 DIADHM O=C([N-]c1cc(C2CCCC2)no1)C(F)(F)c1ccc(F)cc1 ZINC001182885221 1047856133 /nfs/dbraw/zinc/85/61/33/1047856133.db2.gz NXMRGHLSAUELMM-UHFFFAOYSA-N -1 3 324.302 4.202 20 0 DIADHM [O-]c1cc(Cl)c(Nc2c[nH]c3ncc(F)cc23)cc1Cl ZINC001159596837 1047876418 /nfs/dbraw/zinc/87/64/18/1047876418.db2.gz JEPMDOOHIWPWPI-UHFFFAOYSA-N -1 3 312.131 4.458 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC001159657146 1047895493 /nfs/dbraw/zinc/89/54/93/1047895493.db2.gz JQQJVZOHBMDQAK-QWHCGFSZSA-N -1 3 301.773 4.096 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1ccc(C(F)(F)F)s1 ZINC001159658475 1047896068 /nfs/dbraw/zinc/89/60/68/1047896068.db2.gz UMLFBVOXPXLRGV-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM O=c1cc(Nc2cccc(C(F)F)c2)[n-]n1-c1ccccc1 ZINC001174618998 1047909170 /nfs/dbraw/zinc/90/91/70/1047909170.db2.gz IGVCYTWMXMNEHS-UHFFFAOYSA-N -1 3 301.296 4.259 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(C)cc1C ZINC001197995506 1047918552 /nfs/dbraw/zinc/91/85/52/1047918552.db2.gz WXCNBDLJHUEDDB-UHFFFAOYSA-N -1 3 314.410 4.021 20 0 DIADHM Clc1ccc2oc([N-]c3cnn([C@H]4CCCCO4)c3)nc2c1 ZINC001174600894 1047922027 /nfs/dbraw/zinc/92/20/27/1047922027.db2.gz VSNDKBSJHRXWIT-CQSZACIVSA-N -1 3 318.764 4.120 20 0 DIADHM CC(C)C(=O)Nc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001198082102 1047924257 /nfs/dbraw/zinc/92/42/57/1047924257.db2.gz KZTABGNHCDPMLE-UHFFFAOYSA-N -1 3 304.777 4.384 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(CC(C)C)C2CCCC2)c1 ZINC000667510111 1047924620 /nfs/dbraw/zinc/92/46/20/1047924620.db2.gz ZXMHAUVFGDQNBZ-UHFFFAOYSA-N -1 3 307.459 4.155 20 0 DIADHM Cc1ccc([N-]c2nnc(Br)s2)c(Cl)c1 ZINC000081663245 1047948485 /nfs/dbraw/zinc/94/84/85/1047948485.db2.gz ZJPMSVQXPMRPOQ-UHFFFAOYSA-N -1 3 304.600 4.006 20 0 DIADHM CC(C)Oc1ccc(Nc2cccc([O-])c2Br)cn1 ZINC001174764991 1047964643 /nfs/dbraw/zinc/96/46/43/1047964643.db2.gz LKIHKUDGOWOKBP-UHFFFAOYSA-N -1 3 323.190 4.081 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1c(Cl)oc2ccccc21 ZINC001183924235 1047984559 /nfs/dbraw/zinc/98/45/59/1047984559.db2.gz KJUHQXYMLGCPOM-UHFFFAOYSA-N -1 3 318.785 4.455 20 0 DIADHM Cc1ccc(F)cc1Nc1cc(Br)cc(F)c1[O-] ZINC001174888056 1047995159 /nfs/dbraw/zinc/99/51/59/1047995159.db2.gz SHMTYOUBYBZTFS-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM [O-]c1cccc(Nc2cccc3cccnc32)c1Br ZINC001174860026 1048003342 /nfs/dbraw/zinc/00/33/42/1048003342.db2.gz JVUYWIZAICVKBH-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)Nc1c(C)cccc1Cl ZINC001184540647 1048051063 /nfs/dbraw/zinc/05/10/63/1048051063.db2.gz IBFPRAZSXKALBH-UHFFFAOYSA-N -1 3 318.760 4.201 20 0 DIADHM Cc1c(Cl)cccc1NC(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001184649852 1048072466 /nfs/dbraw/zinc/07/24/66/1048072466.db2.gz ZNCOIRSIFMMOGC-UHFFFAOYSA-N -1 3 319.670 4.299 20 0 DIADHM CCOc1cc(F)c(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175058697 1048084285 /nfs/dbraw/zinc/08/42/85/1048084285.db2.gz IBNCBYZYPWYRNP-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(C)c(OC)cc2Cl)c1[O-] ZINC001160802474 1048086205 /nfs/dbraw/zinc/08/62/05/1048086205.db2.gz XSRLODCDKUTGIX-UHFFFAOYSA-N -1 3 319.788 4.177 20 0 DIADHM [O-]c1cccc(Nc2c(F)ccc(F)c2F)c1Br ZINC001175030005 1048096359 /nfs/dbraw/zinc/09/63/59/1048096359.db2.gz BRUFCUQZRRJZGW-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1ccc2c(c1)scc2C(=O)Nc1cc(F)ccc1[O-] ZINC000480248426 1048103557 /nfs/dbraw/zinc/10/35/57/1048103557.db2.gz DHKLGTSTANPOAT-UHFFFAOYSA-N -1 3 301.342 4.307 20 0 DIADHM CCOc1ccc(F)c(Nc2cc(F)c(F)cc2[O-])c1F ZINC001175042288 1048104850 /nfs/dbraw/zinc/10/48/50/1048104850.db2.gz OWXMPWLGMKFAHT-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM COc1cc(Nc2c(F)cc([O-])cc2F)ccc1C(F)(F)F ZINC001175099637 1048114009 /nfs/dbraw/zinc/11/40/09/1048114009.db2.gz AWTUXCIXTXKIAE-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM COc1cc(Nc2c(F)cc([O-])cc2F)cc(C(F)(F)F)c1 ZINC001175099683 1048116013 /nfs/dbraw/zinc/11/60/13/1048116013.db2.gz DXVSQSARMXXSMV-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM COc1ccc(Nc2c(F)cc([O-])cc2F)c(C(F)(F)F)c1 ZINC001175100878 1048116090 /nfs/dbraw/zinc/11/60/90/1048116090.db2.gz ZQZMYFWPNWRLOM-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1cc(F)c(Nc2ccccc2OC(F)(F)F)c(F)c1 ZINC001175100862 1048116780 /nfs/dbraw/zinc/11/67/80/1048116780.db2.gz YOFMCMBHMOSFMW-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3c(Cl)cccc3n2)c1[O-] ZINC001161293077 1048121624 /nfs/dbraw/zinc/12/16/24/1048121624.db2.gz LPBRVTWSYIIXRC-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM COc1cccc(Nc2c(F)cc([O-])cc2F)c1C(F)(F)F ZINC001175096667 1048143159 /nfs/dbraw/zinc/14/31/59/1048143159.db2.gz HSJKNULAATVAHP-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(OC(F)(F)F)c2F)c(F)c1 ZINC001175097098 1048143177 /nfs/dbraw/zinc/14/31/77/1048143177.db2.gz PGQMMROUADZSJV-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1cc(F)c(Nc2cc(F)ccc2OC(F)(F)F)c(F)c1 ZINC001175097715 1048143271 /nfs/dbraw/zinc/14/32/71/1048143271.db2.gz VLRDYVRLZWKBNE-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM Cc1cccc(-c2ccc(NC(=O)c3ccc(C)cc3[O-])nc2)c1 ZINC001161661799 1048150772 /nfs/dbraw/zinc/15/07/72/1048150772.db2.gz DSKGDLZZLKCOSK-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC001161704441 1048156652 /nfs/dbraw/zinc/15/66/52/1048156652.db2.gz HNBLIIKKZMIFSO-ZTFGCOKTSA-N -1 3 323.436 4.403 20 0 DIADHM Cc1ccc(CNC(=O)Nc2cc3ccccc3cc2[O-])cc1 ZINC001185401670 1048172339 /nfs/dbraw/zinc/17/23/39/1048172339.db2.gz RYHVPMJEYIGRPZ-UHFFFAOYSA-N -1 3 306.365 4.176 20 0 DIADHM CC(C)(CC1CCC1)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001161846249 1048184830 /nfs/dbraw/zinc/18/48/30/1048184830.db2.gz CTXVYFWWCUGNJX-UHFFFAOYSA-N -1 3 321.824 4.026 20 0 DIADHM [O-]c1cc(Nc2cccc(O[C@H]3CCCCO3)c2)c(F)cc1F ZINC001175187213 1048190161 /nfs/dbraw/zinc/19/01/61/1048190161.db2.gz OCHXVDZLXWSGRS-KRWDZBQOSA-N -1 3 321.323 4.319 20 0 DIADHM [O-]c1c(F)cc(Nc2cccc(O[C@H]3CCCCO3)c2)cc1F ZINC001175188174 1048192127 /nfs/dbraw/zinc/19/21/27/1048192127.db2.gz VCGLVQYELBCGMI-INIZCTEOSA-N -1 3 321.323 4.319 20 0 DIADHM Cc1cc(C)cc(NC(=S)Nc2c([O-])cccc2Cl)c1 ZINC001201207327 1048218017 /nfs/dbraw/zinc/21/80/17/1048218017.db2.gz ZECJADUFAMTIIU-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(Cl)nc(C(F)(F)F)c2)c1F ZINC001175262918 1048243493 /nfs/dbraw/zinc/24/34/93/1048243493.db2.gz CZGHHJSRVVIWBI-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(C(F)(F)F)nc2Cl)c1F ZINC001175262255 1048243559 /nfs/dbraw/zinc/24/35/59/1048243559.db2.gz APZKCGJGUWDFSU-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(OC(F)(F)F)cc2)c1F ZINC001175264733 1048244043 /nfs/dbraw/zinc/24/40/43/1048244043.db2.gz FVFZLNDXBDTQBM-UHFFFAOYSA-N -1 3 305.202 4.313 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(C(F)(F)F)ccc2O)c1F ZINC001175268661 1048245247 /nfs/dbraw/zinc/24/52/47/1048245247.db2.gz PEUCYBYXMCCZBP-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM Cc1ccccc1-c1cc(Nc2c(F)ccc([O-])c2F)n(C)n1 ZINC001175266162 1048245617 /nfs/dbraw/zinc/24/56/17/1048245617.db2.gz PEHCYRFKGCJWPE-UHFFFAOYSA-N -1 3 315.323 4.123 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(C3CCOCC3)cc2)c1F ZINC001175268105 1048245656 /nfs/dbraw/zinc/24/56/56/1048245656.db2.gz HQXQPFWWGQGDAN-UHFFFAOYSA-N -1 3 305.324 4.308 20 0 DIADHM Cc1ccc(Nc2c(F)ccc([O-])c2F)cc1OC(F)F ZINC001175268518 1048245865 /nfs/dbraw/zinc/24/58/65/1048245865.db2.gz RSSXDYGINDMWPQ-UHFFFAOYSA-N -1 3 301.239 4.324 20 0 DIADHM COc1ccc(C(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175265359 1048245887 /nfs/dbraw/zinc/24/58/87/1048245887.db2.gz MNPXDPGKWINMSW-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1ccc(F)c(Nc2nc(C(F)(F)F)ccc2Cl)c1F ZINC001175265002 1048245950 /nfs/dbraw/zinc/24/59/50/1048245950.db2.gz AKNHWFPBJYQRMM-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM Nc1cc(Cl)cc(Cl)c1Nc1c(F)ccc([O-])c1F ZINC001175268818 1048246774 /nfs/dbraw/zinc/24/67/74/1048246774.db2.gz XNEMEWZIHNHONQ-UHFFFAOYSA-N -1 3 305.111 4.303 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268065 1048247235 /nfs/dbraw/zinc/24/72/35/1048247235.db2.gz GAHCJMYZQYLUDF-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM Cc1cnn(-c2ccc(F)cc2)c1Nc1c(F)ccc([O-])c1F ZINC001175265252 1048247255 /nfs/dbraw/zinc/24/72/55/1048247255.db2.gz FIGZYUYIDBJVOI-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM COc1cccc(Nc2c(F)ccc([O-])c2F)c1C(F)(F)F ZINC001175268495 1048247298 /nfs/dbraw/zinc/24/72/98/1048247298.db2.gz QSMNGCJOFUIDCP-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Cl)c3nsnc32)c1F ZINC001175269467 1048248617 /nfs/dbraw/zinc/24/86/17/1048248617.db2.gz FZQHEZIOGMNJGI-UHFFFAOYSA-N -1 3 313.716 4.072 20 0 DIADHM Cc1ccc(Nc2ccc(N3CCCC3)nc2)c(Cl)c1[O-] ZINC001175352038 1048274352 /nfs/dbraw/zinc/27/43/52/1048274352.db2.gz PXUWRPVMXIHNMB-UHFFFAOYSA-N -1 3 303.793 4.093 20 0 DIADHM CC(C)(C)COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175432198 1048304222 /nfs/dbraw/zinc/30/42/22/1048304222.db2.gz VRJFUWGWEHNHBJ-UHFFFAOYSA-N -1 3 323.400 4.035 20 0 DIADHM Cc1ccc2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001175433231 1048304569 /nfs/dbraw/zinc/30/45/69/1048304569.db2.gz UAYJEKRQSCLBJL-UHFFFAOYSA-N -1 3 301.353 4.072 20 0 DIADHM Fc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1Cl ZINC001175433179 1048304789 /nfs/dbraw/zinc/30/47/89/1048304789.db2.gz RIWPHZHCGBSGDX-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM Cc1ccc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001175432849 1048305543 /nfs/dbraw/zinc/30/55/43/1048305543.db2.gz MNVIWEXQQAHTLI-UHFFFAOYSA-N -1 3 317.352 4.179 20 0 DIADHM [O-]c1ccc(CNc2nc(C3CCCCC3)ns2)cc1F ZINC001162596756 1048309213 /nfs/dbraw/zinc/30/92/13/1048309213.db2.gz AVTVZMOZNKGLNK-UHFFFAOYSA-N -1 3 307.394 4.043 20 0 DIADHM CC(C)(C)OC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001175544135 1048333209 /nfs/dbraw/zinc/33/32/09/1048333209.db2.gz BRNAMGZCBSJMON-UHFFFAOYSA-N -1 3 321.323 4.369 20 0 DIADHM CSc1ccccc1NC(=O)Nc1c([O-])cccc1Cl ZINC001186746255 1048337761 /nfs/dbraw/zinc/33/77/61/1048337761.db2.gz VUSVEZYKPTVING-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM CCCOc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001175598142 1048366894 /nfs/dbraw/zinc/36/68/94/1048366894.db2.gz KEMDDMJKVRXEJO-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM Cc1ccc(Nc2cc3ccccc3[nH]c2=O)c(Cl)c1[O-] ZINC001201758990 1048368817 /nfs/dbraw/zinc/36/88/17/1048368817.db2.gz LOXGQQUCECEZAF-UHFFFAOYSA-N -1 3 300.745 4.351 20 0 DIADHM CCc1ccccc1NC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001187602927 1048410745 /nfs/dbraw/zinc/41/07/45/1048410745.db2.gz CBHXDOHWBCQQGA-UHFFFAOYSA-N -1 3 313.382 4.208 20 0 DIADHM O=C(Nc1cc(F)cc(F)c1)Nc1cc2ccccc2cc1[O-] ZINC001187570275 1048411116 /nfs/dbraw/zinc/41/11/16/1048411116.db2.gz MBNQNERSLJRTNC-UHFFFAOYSA-N -1 3 314.291 4.468 20 0 DIADHM O=C(Nc1ccc(C(F)(F)F)cc1[O-])Nc1ccccc1F ZINC001202002238 1048428075 /nfs/dbraw/zinc/42/80/75/1048428075.db2.gz LLPSJPVMHPTXJJ-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1[O-] ZINC001187700187 1048429271 /nfs/dbraw/zinc/42/92/71/1048429271.db2.gz SCPUINQFYKKXTK-UHFFFAOYSA-N -1 3 322.723 4.031 20 0 DIADHM O=C([N-]c1cc(-c2ccccn2)no1)Nc1ccccc1Cl ZINC001202052798 1048430815 /nfs/dbraw/zinc/43/08/15/1048430815.db2.gz AKXSNBSHGMBZMQ-UHFFFAOYSA-N -1 3 314.732 4.034 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1c(Cl)cccc1Cl ZINC001202102988 1048450904 /nfs/dbraw/zinc/45/09/04/1048450904.db2.gz FMYADBCHLMQPPJ-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM NC(=O)c1ccc(Nc2ccccc2Oc2ccccc2)cc1[O-] ZINC001175839302 1048462505 /nfs/dbraw/zinc/46/25/05/1048462505.db2.gz PJEFNOBUCWOOEA-UHFFFAOYSA-N -1 3 320.348 4.027 20 0 DIADHM CSc1ccc(NC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001188109607 1048476305 /nfs/dbraw/zinc/47/63/05/1048476305.db2.gz IELCVABHKBEWQC-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)C1CCC1 ZINC001188130779 1048479486 /nfs/dbraw/zinc/47/94/86/1048479486.db2.gz QXRFRUGIOFEYSM-UHFFFAOYSA-N -1 3 317.410 4.082 20 0 DIADHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC001188239384 1048487609 /nfs/dbraw/zinc/48/76/09/1048487609.db2.gz PUXHFVJCZQJJBP-NSHDSACASA-N -1 3 321.895 4.039 20 0 DIADHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC001188239383 1048488294 /nfs/dbraw/zinc/48/82/94/1048488294.db2.gz PUXHFVJCZQJJBP-LLVKDONJSA-N -1 3 321.895 4.039 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC001202264050 1048495186 /nfs/dbraw/zinc/49/51/86/1048495186.db2.gz ZVVWDBWMKXCNLF-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM COc1cccc(NC(=O)Nc2ccc(C)c([O-])c2Cl)c1 ZINC001202277661 1048508503 /nfs/dbraw/zinc/50/85/03/1048508503.db2.gz DSPXKUIGFIRUPO-UHFFFAOYSA-N -1 3 306.749 4.007 20 0 DIADHM CCOc1cccc(CCNc2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001163713724 1048509079 /nfs/dbraw/zinc/50/90/79/1048509079.db2.gz NRFVBWQLMUGMRD-UHFFFAOYSA-N -1 3 312.438 4.035 20 0 DIADHM Cc1nnc(-c2cccc(Nc3cccc(Cl)c3[O-])c2)o1 ZINC001175995214 1048522511 /nfs/dbraw/zinc/52/25/11/1048522511.db2.gz UAGRCTAMOZBWHH-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2ccc3ccccc3c2)c1[O-] ZINC001188609024 1048527307 /nfs/dbraw/zinc/52/73/07/1048527307.db2.gz MJJPAJLFBWMGNG-UHFFFAOYSA-N -1 3 320.348 4.392 20 0 DIADHM O=C(Nc1ccc(F)cc1)Nc1c([O-])cccc1C(F)(F)F ZINC001202357184 1048529346 /nfs/dbraw/zinc/52/93/46/1048529346.db2.gz NDZGGMFPDMCHNY-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM Cc1nnc(-c2cccc(Nc3cccc([O-])c3Cl)c2)o1 ZINC001175998443 1048529626 /nfs/dbraw/zinc/52/96/26/1048529626.db2.gz YQPJAIIRBZJNPA-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2ccc(N)cc2)cc1 ZINC001188649158 1048533873 /nfs/dbraw/zinc/53/38/73/1048533873.db2.gz SMBHCJKYPFVJRM-UHFFFAOYSA-N -1 3 318.376 4.202 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC1c2ccccc2-c2ccccc21 ZINC001188655650 1048535763 /nfs/dbraw/zinc/53/57/63/1048535763.db2.gz SYJDPTFJWTUKFA-UHFFFAOYSA-N -1 3 315.372 4.200 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@@H]2CCCc3ccccc32)n1 ZINC001188676800 1048540655 /nfs/dbraw/zinc/54/06/55/1048540655.db2.gz KMYCILBKRRQMAT-IUODEOHRSA-N -1 3 300.427 4.362 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001188639012 1048540789 /nfs/dbraw/zinc/54/07/89/1048540789.db2.gz SKMXEDBKBOFVGK-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc([O-])c(Br)c2)cc1 ZINC001202431836 1048558564 /nfs/dbraw/zinc/55/85/64/1048558564.db2.gz JQLNWZPEZZDQLD-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2cccc3ccccc32)c1[O-] ZINC001188943542 1048570488 /nfs/dbraw/zinc/57/04/88/1048570488.db2.gz LYPARFKJDKAXHL-UHFFFAOYSA-N -1 3 320.348 4.392 20 0 DIADHM COCOc1ccc(Nc2ccc(C)c([O-])c2Cl)cc1F ZINC001176189749 1048588074 /nfs/dbraw/zinc/58/80/74/1048588074.db2.gz JNFSKOTYGNBSFG-UHFFFAOYSA-N -1 3 311.740 4.219 20 0 DIADHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001164473105 1048632347 /nfs/dbraw/zinc/63/23/47/1048632347.db2.gz SGHRMUKNICMRPI-MRXNPFEDSA-N -1 3 323.417 4.333 20 0 DIADHM CCc1cccc(CC)c1NC(=O)Nc1ccc(F)c([O-])c1 ZINC001189769731 1048663361 /nfs/dbraw/zinc/66/33/61/1048663361.db2.gz SFRIBEJOVGLJPN-UHFFFAOYSA-N -1 3 302.349 4.300 20 0 DIADHM CN(CCCc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000568060757 1048669547 /nfs/dbraw/zinc/66/95/47/1048669547.db2.gz NPSAPTMLVYQUPY-UHFFFAOYSA-N -1 3 317.816 4.103 20 0 DIADHM Cc1nc(-c2nc(=O)c3c(CC(C)C)csc3[n-]2)cs1 ZINC000668142538 1048688526 /nfs/dbraw/zinc/68/85/26/1048688526.db2.gz REEANROIIDGQBC-UHFFFAOYSA-N -1 3 305.428 4.027 20 0 DIADHM Cc1nc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)cs1 ZINC000668144978 1048691702 /nfs/dbraw/zinc/69/17/02/1048691702.db2.gz QTZGJIMHUHDZNI-UHFFFAOYSA-N -1 3 305.428 4.126 20 0 DIADHM CCC1(CC)CCCN(C(=O)c2cc(SC)ccc2[O-])C1 ZINC001166712862 1048785327 /nfs/dbraw/zinc/78/53/27/1048785327.db2.gz QXVJIIXMUAXUDL-UHFFFAOYSA-N -1 3 307.459 4.157 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3cc(F)ccc3s2)n1 ZINC001166812091 1048798731 /nfs/dbraw/zinc/79/87/31/1048798731.db2.gz XDPJEASIMSXXNP-MRVPVSSYSA-N -1 3 321.402 4.093 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3cc(F)ccc3s2)n1 ZINC001166812092 1048799266 /nfs/dbraw/zinc/79/92/66/1048799266.db2.gz XDPJEASIMSXXNP-QMMMGPOBSA-N -1 3 321.402 4.093 20 0 DIADHM O=C(Nc1c([O-])cccc1C(F)(F)F)NC1CCCCCC1 ZINC001191272448 1048911714 /nfs/dbraw/zinc/91/17/14/1048911714.db2.gz FNNOFJADBDZCBL-UHFFFAOYSA-N -1 3 316.323 4.255 20 0 DIADHM Cc1ccc(F)cc1NC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001191369300 1048935154 /nfs/dbraw/zinc/93/51/54/1048935154.db2.gz HVKJSRKINBNHMX-UHFFFAOYSA-N -1 3 317.345 4.093 20 0 DIADHM Cc1cc(F)c(CN[C@@H](CCCC(C)C)C(=O)[O-])c(Cl)c1 ZINC000904035938 1048956707 /nfs/dbraw/zinc/95/67/07/1048956707.db2.gz JBURRROTXLAKIE-HNNXBMFYSA-N -1 3 315.816 4.157 20 0 DIADHM CC(C)CCC[C@H](NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000904037786 1048957433 /nfs/dbraw/zinc/95/74/33/1048957433.db2.gz BTTNSNPMVXJOHT-AWEZNQCLSA-N -1 3 318.244 4.363 20 0 DIADHM CCO[C@H](c1noc(-c2ccc(C)cc2[O-])n1)C1CCCC1 ZINC000904144260 1048992826 /nfs/dbraw/zinc/99/28/26/1048992826.db2.gz XHJLRRHGTQVWTD-HNNXBMFYSA-N -1 3 302.374 4.018 20 0 DIADHM O=C(Nc1cccc2ccc(O)cc21)c1cc([O-])ccc1Cl ZINC000484752317 1049025954 /nfs/dbraw/zinc/02/59/54/1049025954.db2.gz VTGWHNBVYYLYSP-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM CN(C(=O)c1ccc(C(C)(C)C)cc1[O-])[C@H]1CCc2ccccc21 ZINC001192322483 1049078621 /nfs/dbraw/zinc/07/86/21/1049078621.db2.gz ANTGEQWSRIGNPO-SFHVURJKSA-N -1 3 323.436 4.449 20 0 DIADHM Cc1ccc(NC(=O)Nc2ccc(F)c(C)c2)c(Cl)c1[O-] ZINC001192391476 1049097822 /nfs/dbraw/zinc/09/78/22/1049097822.db2.gz HONUNXLLGFHBFO-UHFFFAOYSA-N -1 3 308.740 4.446 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1cccc2ccoc21 ZINC001249911284 1049114671 /nfs/dbraw/zinc/11/46/71/1049114671.db2.gz JIQFNAFUZVXDLN-UHFFFAOYSA-N -1 3 305.131 4.040 20 0 DIADHM C[C@H](CC(=O)[N-]OCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000857432436 1049146290 /nfs/dbraw/zinc/14/62/90/1049146290.db2.gz AWPJDEFMICKXMI-AWEZNQCLSA-N -1 3 317.816 4.157 20 0 DIADHM CC(C)CCN(Cc1cccc([O-])c1Br)C1CC1 ZINC001204410178 1049157977 /nfs/dbraw/zinc/15/79/77/1049157977.db2.gz AKNGIQXTSWAQLD-UHFFFAOYSA-N -1 3 312.251 4.165 20 0 DIADHM O=C(CCc1ccc(Cl)cc1Cl)[N-]OC1CCCCC1 ZINC000857492312 1049161881 /nfs/dbraw/zinc/16/18/81/1049161881.db2.gz HGJYZYPGIULAIG-UHFFFAOYSA-N -1 3 316.228 4.307 20 0 DIADHM O=C(CC1CCC(c2ccccc2)CC1)[N-]OCCC1CC1 ZINC000857512345 1049165710 /nfs/dbraw/zinc/16/57/10/1049165710.db2.gz LRQWGBOIUXMHEG-UHFFFAOYSA-N -1 3 301.430 4.198 20 0 DIADHM CCCN(C(=O)Cc1ccc([O-])c(F)c1)c1ccc(CC)cc1 ZINC000857526045 1049168205 /nfs/dbraw/zinc/16/82/05/1049168205.db2.gz BBEDGKVCBLDLAY-UHFFFAOYSA-N -1 3 315.388 4.079 20 0 DIADHM CC1(C)CCC(C)([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001193595911 1049229307 /nfs/dbraw/zinc/22/93/07/1049229307.db2.gz JTYSRVZTYAJXOS-UHFFFAOYSA-N -1 3 321.895 4.039 20 0 DIADHM CCN(C(=O)c1ccccc1[O-])[C@H](C)c1cc2ccccc2o1 ZINC000195645212 1049242240 /nfs/dbraw/zinc/24/22/40/1049242240.db2.gz FSACDXQUGCLHSR-CYBMUJFWSA-N -1 3 309.365 4.362 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccccc1Cl ZINC000195703175 1049247214 /nfs/dbraw/zinc/24/72/14/1049247214.db2.gz SOZMLKFUWXVAQT-OAHLLOKOSA-N -1 3 301.773 4.023 20 0 DIADHM CC(C)c1cccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)n1 ZINC001193734484 1049250538 /nfs/dbraw/zinc/25/05/38/1049250538.db2.gz STKDOOJFWQMIEU-UHFFFAOYSA-N -1 3 324.302 4.182 20 0 DIADHM CCC[C@@](C)(NCc1cc(C(=O)[O-])c(CC)o1)c1ccccc1 ZINC000905788582 1049258171 /nfs/dbraw/zinc/25/81/71/1049258171.db2.gz DECFODHDWGIKSO-LJQANCHMSA-N -1 3 315.413 4.345 20 0 DIADHM CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193757907 1049259717 /nfs/dbraw/zinc/25/97/17/1049259717.db2.gz HSGFFCKUUKMBHZ-LLVKDONJSA-N -1 3 317.351 4.356 20 0 DIADHM CC(C)(C)[C@H]1CN(c2cc(Cl)nc(=O)[n-]2)c2ccccc21 ZINC000858516948 1049270342 /nfs/dbraw/zinc/27/03/42/1049270342.db2.gz OAGZLBATDHFDOZ-NSHDSACASA-N -1 3 303.793 4.117 20 0 DIADHM O=C(N=c1[nH]c2c(cccc2[O-])s1)Oc1ccc(Cl)cc1 ZINC001194024595 1049301742 /nfs/dbraw/zinc/30/17/42/1049301742.db2.gz MEVCCUXWJNBIAJ-UHFFFAOYSA-N -1 3 320.757 4.266 20 0 DIADHM [O-]c1ccc(F)c(CN(CCc2ccc(F)cc2)C2CC2)c1F ZINC001204929714 1049313381 /nfs/dbraw/zinc/31/33/81/1049313381.db2.gz AGYXGHROUDXMRH-UHFFFAOYSA-N -1 3 321.342 4.017 20 0 DIADHM CCCCCCOC(=O)Nc1c([O-])cccc1Br ZINC001194185605 1049337057 /nfs/dbraw/zinc/33/70/57/1049337057.db2.gz MWYBZQSRHFKJSN-UHFFFAOYSA-N -1 3 316.195 4.284 20 0 DIADHM CC[C@H](C)N(Cc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001205094567 1049373647 /nfs/dbraw/zinc/37/36/47/1049373647.db2.gz WNTHOVILLIBXAQ-ZDUSSCGKSA-N -1 3 305.368 4.471 20 0 DIADHM Cc1ccc(OC(=O)Nc2c([O-])cccc2C(F)(F)F)cc1 ZINC001194462417 1049375643 /nfs/dbraw/zinc/37/56/43/1049375643.db2.gz CNAQORMAXWADOP-UHFFFAOYSA-N -1 3 311.259 4.330 20 0 DIADHM COc1ccc(OC(=O)Nc2cc3ccccc3cc2[O-])cc1 ZINC001194533138 1049387987 /nfs/dbraw/zinc/38/79/87/1049387987.db2.gz NMASSFXUFKDKKQ-UHFFFAOYSA-N -1 3 309.321 4.165 20 0 DIADHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)(C)C ZINC001194638109 1049401891 /nfs/dbraw/zinc/40/18/91/1049401891.db2.gz IIQKIDMCABPGSM-UHFFFAOYSA-N -1 3 317.454 4.402 20 0 DIADHM CC(=O)c1cccc(NC(=O)Oc2ccc3ccccc3c2)c1[O-] ZINC001194657508 1049405138 /nfs/dbraw/zinc/40/51/38/1049405138.db2.gz OBNKQTYNFZEBHE-UHFFFAOYSA-N -1 3 321.332 4.359 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC001150982688 1049418242 /nfs/dbraw/zinc/41/82/42/1049418242.db2.gz RPMMSKNJFRCEEE-JKSUJKDBSA-N -1 3 323.436 4.101 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1csc2c1CCCC2 ZINC001150982903 1049418533 /nfs/dbraw/zinc/41/85/33/1049418533.db2.gz LMGRJYUFSGCFDA-UHFFFAOYSA-N -1 3 307.802 4.238 20 0 DIADHM CCC(CC)(CNC(=O)c1ccc(C(C)C)cc1[O-])SC ZINC001137052266 1049446389 /nfs/dbraw/zinc/44/63/89/1049446389.db2.gz SZMKJQPRAVBANC-UHFFFAOYSA-N -1 3 309.475 4.167 20 0 DIADHM CCC(CC)(C(=O)Nc1ccc(F)c([O-])c1)c1ccccc1 ZINC001181155421 1049448468 /nfs/dbraw/zinc/44/84/68/1049448468.db2.gz JKNWOPSDTOTTFL-UHFFFAOYSA-N -1 3 301.361 4.228 20 0 DIADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])Oc1ccc(F)cc1 ZINC001195036536 1049464100 /nfs/dbraw/zinc/46/41/00/1049464100.db2.gz YAOJHJZVCJHENK-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM O=C(Nc1ccc([O-])c(F)c1)Oc1ccccc1C(F)(F)F ZINC001195196932 1049494375 /nfs/dbraw/zinc/49/43/75/1049494375.db2.gz OWTFZJNDMINTGS-UHFFFAOYSA-N -1 3 315.222 4.161 20 0 DIADHM Cc1ccc2c(c1)CCN2Cc1cccc([O-])c1Br ZINC001205645332 1049521637 /nfs/dbraw/zinc/52/16/37/1049521637.db2.gz DVZHFVMXUJYPGT-UHFFFAOYSA-N -1 3 318.214 4.026 20 0 DIADHM O=C(Nc1ccc(NCc2c([O-])cccc2Cl)cc1)C1CC1 ZINC000155849635 1049635510 /nfs/dbraw/zinc/63/55/10/1049635510.db2.gz ARWCYNWWXVBMNN-UHFFFAOYSA-N -1 3 316.788 4.006 20 0 DIADHM [O-]c1ccc(-c2ncnc3cc(OC(F)(F)F)ccc32)c(F)c1 ZINC001206037526 1049635952 /nfs/dbraw/zinc/63/59/52/1049635952.db2.gz KCNDOORHYVCDBK-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM [O-]c1ccc(-c2ncccc2OCc2ccc(F)cc2)c(F)c1 ZINC001206044235 1049638927 /nfs/dbraw/zinc/63/89/27/1049638927.db2.gz GFNYYHKDGVOZTJ-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3ccco3)cc2C(F)(F)F)c(F)c1 ZINC001206044644 1049639643 /nfs/dbraw/zinc/63/96/43/1049639643.db2.gz QOGVTGZCDDBMBE-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM [O-]c1ccc(-c2ncc(F)c(Oc3ccc(F)cc3)n2)c(F)c1 ZINC001206044469 1049639732 /nfs/dbraw/zinc/63/97/32/1049639732.db2.gz MZUXKHCUVCZLQH-UHFFFAOYSA-N -1 3 318.254 4.059 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc(Cl)nc1C1CC1 ZINC001197270169 1049733184 /nfs/dbraw/zinc/73/31/84/1049733184.db2.gz MEVUIGHWNWKZFZ-UHFFFAOYSA-N -1 3 323.179 4.224 20 0 DIADHM O=C(NCc1cc2ccccc2s1)c1cc([O-])ccc1Cl ZINC000489683115 1049777241 /nfs/dbraw/zinc/77/72/41/1049777241.db2.gz WOXBMHHIUISRMY-UHFFFAOYSA-N -1 3 317.797 4.190 20 0 DIADHM CC(C)COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000490702782 1049858921 /nfs/dbraw/zinc/85/89/21/1049858921.db2.gz UGOMEFXEPSZURL-UHFFFAOYSA-N -1 3 319.788 4.333 20 0 DIADHM CCOc1cc(CNc2cnc(C)c(C)c2)cc(Cl)c1[O-] ZINC001207327024 1049880922 /nfs/dbraw/zinc/88/09/22/1049880922.db2.gz WGJCDEIEKJQESU-UHFFFAOYSA-N -1 3 306.793 4.068 20 0 DIADHM CC[C@H]1c2ccsc2CCN1Cc1ccsc1C(=O)[O-] ZINC000572127821 1049995264 /nfs/dbraw/zinc/99/52/64/1049995264.db2.gz VMUDGQMHAQVCMC-LBPRGKRZSA-N -1 3 307.440 4.017 20 0 DIADHM CCCOc1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)cc1 ZINC000590124413 1050078386 /nfs/dbraw/zinc/07/83/86/1050078386.db2.gz RUUZSRJXQPKIMV-UHFFFAOYSA-N -1 3 314.772 4.032 20 0 DIADHM CCCCOC(=O)Nc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001209916533 1050106051 /nfs/dbraw/zinc/10/60/51/1050106051.db2.gz XHZZYQPUSXQIMA-UHFFFAOYSA-N -1 3 319.336 4.019 20 0 DIADHM Cc1cc(Cl)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001210025484 1050124492 /nfs/dbraw/zinc/12/44/92/1050124492.db2.gz KDJIVSZTTFUEPR-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM CCc1cccc(C(=O)N[C@H](c2ccccc2C)C2CC2)c1[O-] ZINC001136763222 1050148074 /nfs/dbraw/zinc/14/80/74/1050148074.db2.gz NCPPNEYTJMQMFZ-SFHVURJKSA-N -1 3 309.409 4.144 20 0 DIADHM COc1cccc(-c2cc(Nc3cccc(Cl)c3[O-])on2)c1 ZINC001210215544 1050161549 /nfs/dbraw/zinc/16/15/49/1050161549.db2.gz IUBYGDYFLMVHBD-UHFFFAOYSA-N -1 3 316.744 4.453 20 0 DIADHM Cc1ccc(Br)c(Nc2cccc(Cl)c2[O-])n1 ZINC001210215238 1050161984 /nfs/dbraw/zinc/16/19/84/1050161984.db2.gz AOWYYEYSPMONDQ-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1csc(-c2ccncc2)n1 ZINC001210221248 1050163294 /nfs/dbraw/zinc/16/32/94/1050163294.db2.gz ZPVMBUWNROJVGN-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1ncccc1N1CCCCC1 ZINC001210219408 1050163404 /nfs/dbraw/zinc/16/34/04/1050163404.db2.gz IFOAMMJROVPZPM-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM Nc1ccc(Nc2cccc(Cl)c2[O-])c(C(F)(F)F)c1 ZINC001210218585 1050163415 /nfs/dbraw/zinc/16/34/15/1050163415.db2.gz BSLQYPIFSWFMLX-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Nc1cc(Br)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001210223273 1050165010 /nfs/dbraw/zinc/16/50/10/1050165010.db2.gz QMLDGDZLVHTBJC-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM COC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1Cl ZINC001210223170 1050165162 /nfs/dbraw/zinc/16/51/62/1050165162.db2.gz MJRBIKRFDIVIHZ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM COc1cc(Nc2cccc(Cl)c2[O-])ccc1N1CCCC1 ZINC001210223090 1050165224 /nfs/dbraw/zinc/16/52/24/1050165224.db2.gz KHKNWASXCINLSW-UHFFFAOYSA-N -1 3 318.804 4.398 20 0 DIADHM COC(=O)CCc1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001210222541 1050165654 /nfs/dbraw/zinc/16/56/54/1050165654.db2.gz NIJSHFSKROWQPE-UHFFFAOYSA-N -1 3 323.751 4.034 20 0 DIADHM CC1(C)CC(=O)Nc2c(Nc3cccc(Cl)c3[O-])cccc21 ZINC001210222559 1050165673 /nfs/dbraw/zinc/16/56/73/1050165673.db2.gz OETYYLOLHNZNSR-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)C)CC2)c1 ZINC001136813219 1050177915 /nfs/dbraw/zinc/17/79/15/1050177915.db2.gz YDIFFXCLGXFCJZ-ZDUSSCGKSA-N -1 3 307.459 4.012 20 0 DIADHM O=C(Cc1cccc2ccccc21)[N-]OC/C=C\c1ccccc1 ZINC000733894762 1050186382 /nfs/dbraw/zinc/18/63/82/1050186382.db2.gz UCBBSRJUUCPVKX-YFHOEESVSA-N -1 3 317.388 4.144 20 0 DIADHM [O-]c1cccc2sc(Nc3ccc(OC(F)F)cc3)nc21 ZINC001210323970 1050204241 /nfs/dbraw/zinc/20/42/41/1050204241.db2.gz CEVPNCBXJWTRGX-UHFFFAOYSA-N -1 3 308.309 4.347 20 0 DIADHM CC[C@@H]1CCCN(Cn2c(CCC3CCCC3)n[n-]c2=S)C1 ZINC000058205647 1050215047 /nfs/dbraw/zinc/21/50/47/1050215047.db2.gz UUHYXYXXZIREIV-CQSZACIVSA-N -1 3 322.522 4.143 20 0 DIADHM CC[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000573616286 1050221680 /nfs/dbraw/zinc/22/16/80/1050221680.db2.gz IREFSLRGYSUKCG-YGRLFVJLSA-N -1 3 316.228 4.241 20 0 DIADHM O=C(Nc1ccsc1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001136947594 1050248252 /nfs/dbraw/zinc/24/82/52/1050248252.db2.gz HXSYPSXHEDGOJC-UHFFFAOYSA-N -1 3 309.390 4.297 20 0 DIADHM CC[C@@]1(C)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000573734705 1050249687 /nfs/dbraw/zinc/24/96/87/1050249687.db2.gz YZYPIEXYJKKFRW-ZFWWWQNUSA-N -1 3 316.228 4.241 20 0 DIADHM CCCn1ccc2ccc(NC(=O)c3cc(C)ccc3[O-])cc21 ZINC001136975125 1050261512 /nfs/dbraw/zinc/26/15/12/1050261512.db2.gz BDWFDDQLWZSAGD-UHFFFAOYSA-N -1 3 308.381 4.318 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000592314563 1050287168 /nfs/dbraw/zinc/28/71/68/1050287168.db2.gz DSPFTCUBVJIOFE-SFHVURJKSA-N -1 3 323.436 4.050 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1ccc2ocnc2c1 ZINC001210574556 1050301686 /nfs/dbraw/zinc/30/16/86/1050301686.db2.gz SIWXMCNMOCVLFY-UHFFFAOYSA-N -1 3 323.121 4.179 20 0 DIADHM CCOC(=O)c1c(-c2ccco2)csc1[N-]c1cnoc1C ZINC001210583505 1050305426 /nfs/dbraw/zinc/30/54/26/1050305426.db2.gz JGXXZGXYXYYCLW-UHFFFAOYSA-N -1 3 318.354 4.225 20 0 DIADHM CCc1cc(OC)ccc1Nc1cccc([O-])c1Br ZINC001210718744 1050348242 /nfs/dbraw/zinc/34/82/42/1050348242.db2.gz PQENNIHYGTVDOS-UHFFFAOYSA-N -1 3 322.202 4.469 20 0 DIADHM Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c([O-])c1 ZINC001143787475 1050359644 /nfs/dbraw/zinc/35/96/44/1050359644.db2.gz OIQBEYYHQFDHBP-UHFFFAOYSA-N -1 3 313.372 4.039 20 0 DIADHM COc1c(F)cc(F)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214563559 1050374284 /nfs/dbraw/zinc/37/42/84/1050374284.db2.gz HCUUIUPAVOWCGH-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM [O-]c1cccc(Nc2ccncc2Oc2ccccc2)c1Cl ZINC001210845129 1050390221 /nfs/dbraw/zinc/39/02/21/1050390221.db2.gz SFLWMDRIESIBCA-UHFFFAOYSA-N -1 3 312.756 4.398 20 0 DIADHM Nc1cc(Nc2cccc([O-])c2Cl)cc(C(F)(F)F)c1 ZINC001210854450 1050392360 /nfs/dbraw/zinc/39/23/60/1050392360.db2.gz XFMWXNXMQRPXAL-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(Nc3cccc([O-])c3Cl)cc21 ZINC001210859140 1050392378 /nfs/dbraw/zinc/39/23/78/1050392378.db2.gz CGSKJDPXZFKLPI-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM COC(=O)c1ccc(C)c(Nc2cccc([O-])c2Cl)c1C ZINC001210859222 1050392642 /nfs/dbraw/zinc/39/26/42/1050392642.db2.gz BSZHYYCCTUJQFL-UHFFFAOYSA-N -1 3 305.761 4.193 20 0 DIADHM [O-]c1cccc(Nc2cc(-c3ccncn3)cs2)c1Cl ZINC001210853815 1050392789 /nfs/dbraw/zinc/39/27/89/1050392789.db2.gz LHDYHFFLWCNMDL-UHFFFAOYSA-N -1 3 303.774 4.308 20 0 DIADHM COc1cc(Nc2cccc([O-])c2Cl)ncc1C(F)(F)F ZINC001210855127 1050392974 /nfs/dbraw/zinc/39/29/74/1050392974.db2.gz IRVKLGPNGQPYAF-UHFFFAOYSA-N -1 3 318.682 4.212 20 0 DIADHM CC(C)(C)NC(=O)c1ccccc1Nc1cccc([O-])c1Cl ZINC001210854390 1050393277 /nfs/dbraw/zinc/39/32/77/1050393277.db2.gz TURLCCZPZHEOHQ-UHFFFAOYSA-N -1 3 318.804 4.318 20 0 DIADHM [O-]c1cccc(Nc2cc(OC(F)(F)F)ccc2O)c1Cl ZINC001210859141 1050393320 /nfs/dbraw/zinc/39/33/20/1050393320.db2.gz CGXKOWYXQKJQEC-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM COc1ccc2cc(Nc3cccc([O-])c3Cl)ccc2n1 ZINC001210855024 1050393364 /nfs/dbraw/zinc/39/33/64/1050393364.db2.gz PSBCKVYCDCGNMS-UHFFFAOYSA-N -1 3 300.745 4.346 20 0 DIADHM CCOC(=O)Nc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210854578 1050393499 /nfs/dbraw/zinc/39/34/99/1050393499.db2.gz FSBYSTRSNHRYSV-UHFFFAOYSA-N -1 3 306.749 4.358 20 0 DIADHM CC(=O)n1ccc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210859925 1050394723 /nfs/dbraw/zinc/39/47/23/1050394723.db2.gz MKNOBZVCUAUPKD-UHFFFAOYSA-N -1 3 300.745 4.404 20 0 DIADHM Nc1cccc(C(F)(F)F)c1Nc1cccc([O-])c1Cl ZINC001210860535 1050395312 /nfs/dbraw/zinc/39/53/12/1050395312.db2.gz XCFQQLKSMPSFSI-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM [O-]c1c(F)cc(Nc2ccccc2N2CCCCC2)cc1F ZINC001210963851 1050436550 /nfs/dbraw/zinc/43/65/50/1050436550.db2.gz FLCYGMNUMBFLOP-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM Cc1ccc(-c2nc(COC(=O)c3cc4occc4[n-]3)co2)cc1 ZINC000786032817 1050444532 /nfs/dbraw/zinc/44/45/32/1050444532.db2.gz WNWDFNJJSOFNGR-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM Cc1ccc(-c2cnc(COC(=O)c3cc4occc4[n-]3)o2)cc1 ZINC000786034980 1050446545 /nfs/dbraw/zinc/44/65/45/1050446545.db2.gz ZACMFABCPQNPJB-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM O=C(OCc1ccc(Cl)nc1)c1cc2sccc2c([O-])c1 ZINC000786139424 1050454123 /nfs/dbraw/zinc/45/41/23/1050454123.db2.gz GXXJEGFHIFGSGS-UHFFFAOYSA-N -1 3 319.769 4.012 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1ccc([O-])c(Cl)c1 ZINC001211150868 1050499801 /nfs/dbraw/zinc/49/98/01/1050499801.db2.gz HFDZSKUOTQACAL-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1cc([O-])c(F)cc1F ZINC001211151211 1050500474 /nfs/dbraw/zinc/50/04/74/1050500474.db2.gz QJJCNMIWLGVWQG-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(C)C)c1Cl ZINC001211156604 1050501707 /nfs/dbraw/zinc/50/17/07/1050501707.db2.gz 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[O-]c1c(F)cc(Nc2ccc(F)c(OC(F)(F)F)c2)cc1F ZINC001213384566 1050644798 /nfs/dbraw/zinc/64/47/98/1050644798.db2.gz SZNJVJBPEKFRMO-UHFFFAOYSA-N -1 3 323.192 4.452 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@@H](c3ccccc3)C2)cc1F ZINC001144666453 1050645032 /nfs/dbraw/zinc/64/50/32/1050645032.db2.gz JAXBZBJXUGIEFW-CQSZACIVSA-N -1 3 303.352 4.050 20 0 DIADHM O=C(c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1)C(F)(F)F ZINC001213382032 1050645180 /nfs/dbraw/zinc/64/51/80/1050645180.db2.gz VUPDEXATRZXNBC-UHFFFAOYSA-N -1 3 317.213 4.159 20 0 DIADHM [O-]c1cc(F)c(CN(Cc2ccccc2)C2CCC2)cc1F ZINC001144663905 1050645796 /nfs/dbraw/zinc/64/57/96/1050645796.db2.gz NNCBQROVVOGNKE-UHFFFAOYSA-N -1 3 303.352 4.225 20 0 DIADHM Nc1ccccc1N(c1cc(F)c([O-])c(F)c1)C1CCCC1 ZINC001213388671 1050647445 /nfs/dbraw/zinc/64/74/45/1050647445.db2.gz GOXQABHXEPOIGF-UHFFFAOYSA-N -1 3 304.340 4.333 20 0 DIADHM O=C(c1ccccc1Nc1cc(F)c([O-])c(F)c1)C(F)(F)F ZINC001213388900 1050647539 /nfs/dbraw/zinc/64/75/39/1050647539.db2.gz SACWNKREWSGBKD-UHFFFAOYSA-N 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COc1ccc([O-])c(-c2nc(-c3ccc(Cl)c(C)c3)no2)c1 ZINC001215155624 1051090395 /nfs/dbraw/zinc/09/03/95/1051090395.db2.gz XKENSBIKFHJITQ-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)Oc1ccc(F)c(Nc2cc(F)cc(F)c2[O-])c1F ZINC001215178746 1051104922 /nfs/dbraw/zinc/10/49/22/1051104922.db2.gz RNTMORDHLKUTLL-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N(C1CC1)C1CCCCC1 ZINC000792083301 1051118172 /nfs/dbraw/zinc/11/81/72/1051118172.db2.gz XUUIOQVCTUSFSA-UHFFFAOYSA-N -1 3 309.409 4.483 20 0 DIADHM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000792081606 1051118287 /nfs/dbraw/zinc/11/82/87/1051118287.db2.gz LHWYHHLEOLMZQO-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM CCC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000792146211 1051120393 /nfs/dbraw/zinc/12/03/93/1051120393.db2.gz LMYKEUGPAYXZAK-GOSISDBHSA-N -1 3 320.392 4.212 20 0 DIADHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792195390 1051126635 /nfs/dbraw/zinc/12/66/35/1051126635.db2.gz 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/nfs/dbraw/zinc/58/64/12/1051586412.db2.gz QMBHGDMUEDHPRH-UHFFFAOYSA-N -1 3 324.833 4.247 20 0 DIADHM Cc1ncc(Br)cc1Nc1ccc(Cl)c([O-])c1 ZINC001212589687 1051593249 /nfs/dbraw/zinc/59/32/49/1051593249.db2.gz YTNWBYISGLDSMK-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM O=c1ccnc(C=Cc2cccc(OCc3ccc(F)cc3)c2)[n-]1 ZINC000766688128 1051609915 /nfs/dbraw/zinc/60/99/15/1051609915.db2.gz KMHVISWMPCLBRG-TWGQIWQCSA-N -1 3 322.339 4.071 20 0 DIADHM Cc1cc(Nc2ccc(Cl)c([O-])c2)n(-c2cccc(F)c2)n1 ZINC001212590525 1051627602 /nfs/dbraw/zinc/62/76/02/1051627602.db2.gz QDKFLELNQWXAOI-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM [O-]c1cc(Nc2cc(C(F)(F)F)cnc2F)ccc1Cl ZINC001212591633 1051646780 /nfs/dbraw/zinc/64/67/80/1051646780.db2.gz WPKFPRGWCALZDR-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM COc1cc(Nc2ccc([O-])c(F)c2F)ccc1OC(C)C ZINC001216249883 1051656886 /nfs/dbraw/zinc/65/68/86/1051656886.db2.gz WSVFULBLQKLRBL-UHFFFAOYSA-N -1 3 309.312 4.210 20 0 DIADHM CC(=O)Nc1cc(Nc2ccc(Cl)c([O-])c2)ccc1Cl ZINC001212592139 1051661215 /nfs/dbraw/zinc/66/12/15/1051661215.db2.gz ACIGINYPGFDOJD-UHFFFAOYSA-N -1 3 311.168 4.401 20 0 DIADHM CCOC(=O)Nc1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593245 1051665076 /nfs/dbraw/zinc/66/50/76/1051665076.db2.gz HIDFORWWBJYGBM-UHFFFAOYSA-N -1 3 306.749 4.358 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3ccc(Cl)c(C)c3)no2)c(O)c1 ZINC001216267217 1051665181 /nfs/dbraw/zinc/66/51/81/1051665181.db2.gz FQJALBHMYXAKTG-UHFFFAOYSA-N -1 3 316.744 4.085 20 0 DIADHM Cc1cc([O-])c(-c2nc(-c3ccc4sccc4c3)no2)c(O)c1 ZINC001216267545 1051665293 /nfs/dbraw/zinc/66/52/93/1051665293.db2.gz MNQJOMPYEYZYOB-UHFFFAOYSA-N -1 3 324.361 4.338 20 0 DIADHM [O-]c1cc(Br)cnc1Nc1cc2c(cccc2F)o1 ZINC001216291743 1051677540 /nfs/dbraw/zinc/67/75/40/1051677540.db2.gz OLLASDZAPLUGCQ-UHFFFAOYSA-N -1 3 323.121 4.179 20 0 DIADHM COC(=O)c1cc(Cl)cc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593655 1051679147 /nfs/dbraw/zinc/67/91/47/1051679147.db2.gz COQARAGMTVTYEJ-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM Cc1ccc(NCc2ncccc2[O-])cc1OCc1ccccc1 ZINC001169732991 1051689693 /nfs/dbraw/zinc/68/96/93/1051689693.db2.gz QHFRDOSRUJLQRH-UHFFFAOYSA-N -1 3 320.392 4.287 20 0 DIADHM CCOC(=O)Cc1ccc(F)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212595386 1051702180 /nfs/dbraw/zinc/70/21/80/1051702180.db2.gz RDGALSRBGHNPGJ-UHFFFAOYSA-N -1 3 323.751 4.034 20 0 DIADHM [O-]c1cc(Nc2cc(OC(F)(F)F)ccc2O)ccc1Cl ZINC001212595270 1051709807 /nfs/dbraw/zinc/70/98/07/1051709807.db2.gz LIQNGERPBKTQQV-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM [O-]c1cc(Nc2c(Cl)cc(CO)cc2Cl)c(F)cc1F ZINC001216363792 1051721512 /nfs/dbraw/zinc/72/15/12/1051721512.db2.gz LUEOQWXEGUUILK-UHFFFAOYSA-N -1 3 320.122 4.213 20 0 DIADHM [O-]c1cccc(Nc2ccc(O)cc2Cl)c1Br ZINC001216430829 1051761370 /nfs/dbraw/zinc/76/13/70/1051761370.db2.gz WIZNNYCOKURQSE-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM CCOC(=O)/C=C/c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001216477338 1051781842 /nfs/dbraw/zinc/78/18/42/1051781842.db2.gz BIIBRLAKJMHKIV-DHZHZOJOSA-N -1 3 317.772 4.366 20 0 DIADHM O=c1cc(Nc2cc(F)ccc2Cl)[n-]n1-c1ccccc1 ZINC001216478734 1051784635 /nfs/dbraw/zinc/78/46/35/1051784635.db2.gz WJCTXDBDGSINOF-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2ccccc2OC(C)C)no1 ZINC001216537260 1051810697 /nfs/dbraw/zinc/81/06/97/1051810697.db2.gz XGCHRRVQIYJECA-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(Cl)ccc2F)no1 ZINC001216536349 1051811217 /nfs/dbraw/zinc/81/12/17/1051811217.db2.gz KIULFAZEGXTGNI-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cc(F)c(F)c(-c2noc(-c3c(C)cccc3[O-])n2)c1 ZINC001216536576 1051811371 /nfs/dbraw/zinc/81/13/71/1051811371.db2.gz MYXBQEAFMVXGKN-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[O-] ZINC000220098694 1051822386 /nfs/dbraw/zinc/82/23/86/1051822386.db2.gz PGUFJZWOSUFGLK-UHFFFAOYSA-N -1 3 303.789 4.096 20 0 DIADHM CC(=O)c1cccc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001173900224 1051864422 /nfs/dbraw/zinc/86/44/22/1051864422.db2.gz GCFJEDVMPRHYDR-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cc(F)ccc3F)no2)c1 ZINC001216702039 1051865580 /nfs/dbraw/zinc/86/55/80/1051865580.db2.gz HQOBRAWLEWJRHN-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3cccc(F)c3F)no2)c1 ZINC001216702473 1051866198 /nfs/dbraw/zinc/86/61/98/1051866198.db2.gz UGDBQWHOYBJXNR-UHFFFAOYSA-N -1 3 308.671 4.041 20 0 DIADHM COc1cc(C)cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c1 ZINC001216701829 1051866656 /nfs/dbraw/zinc/86/66/56/1051866656.db2.gz CVROQHGCJVOFMP-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ccc4ccncc4c3)no2)c1 ZINC001216702020 1051866716 /nfs/dbraw/zinc/86/67/16/1051866716.db2.gz HETSTVWRKAQOFQ-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(F)cc1F ZINC001173928171 1051901121 /nfs/dbraw/zinc/90/11/21/1051901121.db2.gz MVLLPMUMFMLGTL-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc4ncccc4c3)no2)cc1F ZINC001216895167 1051901461 /nfs/dbraw/zinc/90/14/61/1051901461.db2.gz IGJZRYFIVUSTSV-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3cccc4ccncc43)no2)cc1F ZINC001216895206 1051901701 /nfs/dbraw/zinc/90/17/01/1051901701.db2.gz JQJPWAYQBQPXTN-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(-c2nc(C[N-]c3nnc(C(F)F)o3)cs2)cc1 ZINC000189283246 1051906809 /nfs/dbraw/zinc/90/68/09/1051906809.db2.gz JBJWQEROYQTHFC-UHFFFAOYSA-N -1 3 322.340 4.051 20 0 DIADHM [O-]c1cccc(Nc2cc(F)ccc2F)c1Br ZINC001173951382 1051916647 /nfs/dbraw/zinc/91/66/47/1051916647.db2.gz GORKXFQEMNBEPH-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM CCCCc1ccc(-c2noc(-c3ccc([O-])cc3OC)n2)cc1 ZINC001217084988 1051948854 /nfs/dbraw/zinc/94/88/54/1051948854.db2.gz CPSIOGQTDHKDEV-UHFFFAOYSA-N -1 3 324.380 4.460 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001217085565 1051949041 /nfs/dbraw/zinc/94/90/41/1051949041.db2.gz RLDSEOOAMZMLOM-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM CC(C)CNC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174079022 1051996415 /nfs/dbraw/zinc/99/64/15/1051996415.db2.gz PKOGTNSJSZAKKS-UHFFFAOYSA-N -1 3 318.804 4.175 20 0 DIADHM CC(C)(C)NC(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174127337 1052005767 /nfs/dbraw/zinc/00/57/67/1052005767.db2.gz LIPWFBVDPFSDHM-UHFFFAOYSA-N -1 3 318.804 4.318 20 0 DIADHM Cc1ccc(Nc2cnn(Cc3ccccc3)c2)c(Cl)c1[O-] ZINC001174134620 1052011008 /nfs/dbraw/zinc/01/10/08/1052011008.db2.gz LXOKFYYMOSTEES-UHFFFAOYSA-N -1 3 313.788 4.342 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2cccc(Cl)c2)no1 ZINC001217322601 1052024212 /nfs/dbraw/zinc/02/42/12/1052024212.db2.gz CYMDPYFDTUFKIR-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM CCN(CC)C(=O)c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174167408 1052030261 /nfs/dbraw/zinc/03/02/61/1052030261.db2.gz LHDNNXMXZUJGEG-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM Cc1cc(-c2noc(-c3c([O-])ccc4ccccc43)n2)cnc1C ZINC001217411534 1052046984 /nfs/dbraw/zinc/04/69/84/1052046984.db2.gz BTCFAZXNEBIIKE-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cc(-c2noc(-c3c([O-])ccc4ccccc43)n2)cc(C)n1 ZINC001217412283 1052047513 /nfs/dbraw/zinc/04/75/13/1052047513.db2.gz UCJMOYACMTURFJ-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1cccc(-c2noc(-c3cc4cc(O)ccc4cc3[O-])n2)c1 ZINC001217418376 1052049195 /nfs/dbraw/zinc/04/91/95/1052049195.db2.gz FZECODAFQPHPGZ-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM Cc1cc(C)c(-c2noc(-c3ccc([O-])c4ccccc34)n2)cn1 ZINC001217435828 1052055492 /nfs/dbraw/zinc/05/54/92/1052055492.db2.gz JHEIJYTVCGOKCT-UHFFFAOYSA-N -1 3 317.348 4.274 20 0 DIADHM Cc1ccc(F)c(-c2noc(-c3c([O-])cnc4ccccc43)n2)c1 ZINC001217441893 1052056453 /nfs/dbraw/zinc/05/64/53/1052056453.db2.gz QKIFNRZVWPHZBA-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(F)c(-c2noc(-c3ccc([O-])c4ncccc34)n2)c1 ZINC001217492233 1052073873 /nfs/dbraw/zinc/07/38/73/1052073873.db2.gz CZUFDDQPLQTDEB-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM [O-]c1cc(Nc2cccc(N3CCCCC3)c2)c(F)cc1F ZINC001174303661 1052081116 /nfs/dbraw/zinc/08/11/16/1052081116.db2.gz VKWYMCUSTWPQRJ-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM [O-]c1cc(F)c(Nc2cccc(N3CCCCC3)c2)c(F)c1 ZINC001174305326 1052088353 /nfs/dbraw/zinc/08/83/53/1052088353.db2.gz YUZIMLFFGSNYDN-UHFFFAOYSA-N -1 3 304.340 4.404 20 0 DIADHM CCN(C)C(=O)c1ccc(Nc2ccc(C)c([O-])c2Cl)cc1 ZINC001174322614 1052100142 /nfs/dbraw/zinc/10/01/42/1052100142.db2.gz SMAIKXGFOROUMP-UHFFFAOYSA-N -1 3 318.804 4.190 20 0 DIADHM [O-]c1cccc2sc(Nc3cccc(N4CCCC4)c3)nc21 ZINC001174485367 1052171654 /nfs/dbraw/zinc/17/16/54/1052171654.db2.gz FONCCYACAYICLV-UHFFFAOYSA-N -1 3 311.410 4.346 20 0 DIADHM Cc1cc2cnc([N-][C@H](c3ccccn3)C(F)(F)F)nc2s1 ZINC001168479910 1052246566 /nfs/dbraw/zinc/24/65/66/1052246566.db2.gz JMSWBJFYNLTILD-LLVKDONJSA-N -1 3 324.331 4.110 20 0 DIADHM CSc1ccccc1NCc1cccc([O-])c1Br ZINC000315405495 1052337531 /nfs/dbraw/zinc/33/75/31/1052337531.db2.gz QSGKYFTYZDAKRF-UHFFFAOYSA-N -1 3 324.243 4.489 20 0 DIADHM C[C@H]1C[C@H](CC(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000303749447 1052341334 /nfs/dbraw/zinc/34/13/34/1052341334.db2.gz BJNIXNGPFAZMDH-GXTWGEPZSA-N -1 3 307.409 4.000 20 0 DIADHM C/C(=C\C(=O)Nc1cccc([O-])c1F)c1cccc(Cl)c1 ZINC000762318026 1052365893 /nfs/dbraw/zinc/36/58/93/1052365893.db2.gz ZTCXTZDMURHWJD-CSKARUKUSA-N -1 3 305.736 4.227 20 0 DIADHM COc1cccc(-c2nc(C3CCCCCCC3)no2)c1[O-] ZINC000316429952 1052367972 /nfs/dbraw/zinc/36/79/72/1052367972.db2.gz ZQZLMTKEQGCWDG-UHFFFAOYSA-N -1 3 302.374 4.279 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(Cl)c1 ZINC000235207396 1052409753 /nfs/dbraw/zinc/40/97/53/1052409753.db2.gz JLCRSWDZUZRFGY-SECBINFHSA-N -1 3 310.180 4.190 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)c([O-])c1 ZINC000316713097 1052471499 /nfs/dbraw/zinc/47/14/99/1052471499.db2.gz DNQGFCVKPHQCJQ-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM Fc1c(Cl)cccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC000720812970 1052581219 /nfs/dbraw/zinc/58/12/19/1052581219.db2.gz PAPAXGUSNUZAPP-UHFFFAOYSA-N -1 3 308.687 4.244 20 0 DIADHM [O-]c1cccc(CNCc2ccc(C(F)(F)F)cc2)c1Cl ZINC000328255813 1052605040 /nfs/dbraw/zinc/60/50/40/1052605040.db2.gz UEQWKKSJTJSVIB-UHFFFAOYSA-N -1 3 315.722 4.354 20 0 DIADHM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1C(F)(F)F ZINC000321348945 1052677920 /nfs/dbraw/zinc/67/79/20/1052677920.db2.gz XMKIWGPXLHCLEZ-UHFFFAOYSA-N -1 3 323.314 4.036 20 0 DIADHM CC(C)Oc1cc(F)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212224914 1052706778 /nfs/dbraw/zinc/70/67/78/1052706778.db2.gz FISXMCALFAQLOL-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM O=C(CCCc1ccc(Cl)cc1)Nc1cccc([O-])c1F ZINC000128198364 1052713143 /nfs/dbraw/zinc/71/31/43/1052713143.db2.gz SBPKIQFEXYKDBH-UHFFFAOYSA-N -1 3 307.752 4.146 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000128645788 1052739434 /nfs/dbraw/zinc/73/94/34/1052739434.db2.gz WIALVPBDZWRVFM-JKSUJKDBSA-N -1 3 321.351 4.427 20 0 DIADHM CC[C@@H](C)[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128651049 1052740182 /nfs/dbraw/zinc/74/01/82/1052740182.db2.gz RFNVPTDKTJMTRH-MLGOLLRUSA-N -1 3 301.361 4.300 20 0 DIADHM O=C(Nc1cccc([O-])c1F)C(c1ccccc1)c1ccccc1 ZINC000128953939 1052762946 /nfs/dbraw/zinc/76/29/46/1052762946.db2.gz QAWMQTRQVAUHNJ-UHFFFAOYSA-N -1 3 321.351 4.302 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(Cl)cc1 ZINC000917941949 1052764938 /nfs/dbraw/zinc/76/49/38/1052764938.db2.gz HIZVGGDPNJRZHM-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(Cl)cc1 ZINC000917941949 1052764944 /nfs/dbraw/zinc/76/49/44/1052764944.db2.gz HIZVGGDPNJRZHM-SNVBAGLBSA-N -1 3 316.744 4.241 20 0 DIADHM [O-]c1coc2cc(OC(c3ccccc3)c3ccccc3)ccc12 ZINC001225339412 1052776566 /nfs/dbraw/zinc/77/65/66/1052776566.db2.gz JHAIXUSYPMAAQG-UHFFFAOYSA-N -1 3 316.356 4.430 20 0 DIADHM Cc1ccc(-c2cc(C(=O)OCc3cc4ccccc4o3)n[n-]2)o1 ZINC000918500265 1052801515 /nfs/dbraw/zinc/80/15/15/1052801515.db2.gz CVCARIGEWCBLAT-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM Cc1ccc(-c2cc(C(=O)OCc3cc4ccccc4o3)[n-]n2)o1 ZINC000918500265 1052801524 /nfs/dbraw/zinc/80/15/24/1052801524.db2.gz CVCARIGEWCBLAT-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000129743447 1052810274 /nfs/dbraw/zinc/81/02/74/1052810274.db2.gz YUTPYQIDWQAFBB-HZPDHXFCSA-N -1 3 321.351 4.427 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001225741828 1052824689 /nfs/dbraw/zinc/82/46/89/1052824689.db2.gz DKSANTJUPFHAFI-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000919061854 1052850331 /nfs/dbraw/zinc/85/03/31/1052850331.db2.gz RSGNMADFIOFHRA-JTQLQIEISA-N -1 3 316.744 4.241 20 0 DIADHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000919061854 1052850336 /nfs/dbraw/zinc/85/03/36/1052850336.db2.gz RSGNMADFIOFHRA-JTQLQIEISA-N -1 3 316.744 4.241 20 0 DIADHM CC(=O)c1ccc([O-])c(OCc2cc(C)ccc2OC(C)C)c1 ZINC001225995841 1052856605 /nfs/dbraw/zinc/85/66/05/1052856605.db2.gz UDXKVMVYSDFPNJ-UHFFFAOYSA-N -1 3 314.381 4.269 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001225996922 1052857824 /nfs/dbraw/zinc/85/78/24/1052857824.db2.gz ZJPDZHUOCGHRQB-MRXNPFEDSA-N -1 3 302.757 4.315 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccc(Cl)cc1 ZINC001226120837 1052870649 /nfs/dbraw/zinc/87/06/49/1052870649.db2.gz UUXPJOXQZYQHAG-VIFPVBQESA-N -1 3 306.818 4.436 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CCc3ccc(Cl)cc32)c1O ZINC001226482498 1052901314 /nfs/dbraw/zinc/90/13/14/1052901314.db2.gz OSZMNDIWGRDYAR-HNNXBMFYSA-N -1 3 318.756 4.020 20 0 DIADHM O=c1cc(-c2ccccc2)c2ccc([O-])c(OC3CC=CC3)c2o1 ZINC001226492427 1052902760 /nfs/dbraw/zinc/90/27/60/1052902760.db2.gz WWYSCCWDHQTHSI-UHFFFAOYSA-N -1 3 320.344 4.263 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3CCC[C@H](C)[C@@H]3C)cc12 ZINC001226532890 1052908463 /nfs/dbraw/zinc/90/84/63/1052908463.db2.gz WSMFQRPUYPZDIQ-ITDIGPHOSA-N -1 3 302.370 4.011 20 0 DIADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1Cl ZINC001226596942 1052914073 /nfs/dbraw/zinc/91/40/73/1052914073.db2.gz PDLQHZUMLAEWBN-SNVBAGLBSA-N -1 3 316.740 4.292 20 0 DIADHM CCCC1CCC(Oc2c([O-])ccc3ccc(=O)oc32)CC1 ZINC001226597983 1052914168 /nfs/dbraw/zinc/91/41/68/1052914168.db2.gz ZAHWWPZWCWIYLL-UHFFFAOYSA-N -1 3 302.370 4.236 20 0 DIADHM C[C@@H](Oc1c([O-])ccc2ccc(=O)oc21)c1cccc(Cl)c1 ZINC001226599947 1052914932 /nfs/dbraw/zinc/91/49/32/1052914932.db2.gz PVLRTNWLUXSGIY-SNVBAGLBSA-N -1 3 316.740 4.292 20 0 DIADHM Cc1ccc([C@@H](C)Oc2c([O-])ccc3ccc(=O)oc32)c(C)c1 ZINC001226600520 1052915005 /nfs/dbraw/zinc/91/50/05/1052915005.db2.gz XPLTYKAHNYLPCN-CYBMUJFWSA-N -1 3 310.349 4.255 20 0 DIADHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cccc([O-])c1Cl ZINC001226710247 1052923693 /nfs/dbraw/zinc/92/36/93/1052923693.db2.gz WPYXDXUBNALFFL-CHWSQXEVSA-N -1 3 316.825 4.035 20 0 DIADHM [O-]c1cccc(O[C@H](c2cccnc2)C(F)(F)F)c1Cl ZINC001226708133 1052923777 /nfs/dbraw/zinc/92/37/77/1052923777.db2.gz BCRUDYSOVVQQML-GFCCVEGCSA-N -1 3 303.667 4.123 20 0 DIADHM Cc1ccccc1[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226938350 1052946136 /nfs/dbraw/zinc/94/61/36/1052946136.db2.gz YIXBRQWUKVFIEX-QGZVFWFLSA-N -1 3 308.406 4.242 20 0 DIADHM Cc1ccc([C@@H](Oc2ccnc(=S)[n-]2)c2ccccc2)cc1 ZINC001226940809 1052946694 /nfs/dbraw/zinc/94/66/94/1052946694.db2.gz VVXJKUGILVOJOJ-KRWDZBQOSA-N -1 3 308.406 4.242 20 0 DIADHM O=c1cc(O[C@H](/C=C/c2ccccc2)c2ccccc2)nc[n-]1 ZINC001226944439 1052946792 /nfs/dbraw/zinc/94/67/92/1052946792.db2.gz GFLMGYMPMXUUQP-FMQWLBJXSA-N -1 3 304.349 4.016 20 0 DIADHM O=c1ccc(O[C@H](/C=C/c2ccccc2)c2ccccc2)n[n-]1 ZINC001227093843 1052960688 /nfs/dbraw/zinc/96/06/88/1052960688.db2.gz UOMVODDLLRVWAY-FMQWLBJXSA-N -1 3 304.349 4.016 20 0 DIADHM C[C@H](Oc1c([O-])cc(Br)cc1F)C1CCCC1 ZINC001227586651 1053002694 /nfs/dbraw/zinc/00/26/94/1053002694.db2.gz CGQAJBCUVSHMQO-QMMMGPOBSA-N -1 3 303.171 4.251 20 0 DIADHM COc1ccc([C@@H](Oc2ncc(Cl)cc2[O-])C(C)C)cc1 ZINC001227981450 1053033093 /nfs/dbraw/zinc/03/30/93/1053033093.db2.gz VYJLVNSLVYLRCV-HNNXBMFYSA-N -1 3 307.777 4.225 20 0 DIADHM Cc1ccc(OC(C)C)c(COc2ncc(Cl)cc2[O-])c1 ZINC001227981375 1053033243 /nfs/dbraw/zinc/03/32/43/1053033243.db2.gz VHASQLYSDBLQID-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM Cc1cc(COc2ncc(Cl)cc2[O-])ccc1OC(C)C ZINC001227982300 1053033379 /nfs/dbraw/zinc/03/33/79/1053033379.db2.gz BBBZUSXNARVFBY-UHFFFAOYSA-N -1 3 307.777 4.115 20 0 DIADHM CCC(=O)c1cccc(OC(=C([O-])c2ccco2)c2ccco2)c1 ZINC001228113480 1053045241 /nfs/dbraw/zinc/04/52/41/1053045241.db2.gz DERYVSSTXOANJT-LJQANCHMSA-N -1 3 324.332 4.468 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1ccc(C)nc1 ZINC001228135083 1053046336 /nfs/dbraw/zinc/04/63/36/1053046336.db2.gz UTOCDRKSZOCPEY-CQSZACIVSA-N -1 3 313.397 4.391 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CC=C(OC)CC1 ZINC001228138085 1053047187 /nfs/dbraw/zinc/04/71/87/1053047187.db2.gz ZWFHMCSYBDVLAB-CQSZACIVSA-N -1 3 304.386 4.009 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2OC1[C@H](C)CCC[C@H]1C ZINC001228622961 1053148075 /nfs/dbraw/zinc/14/80/75/1053148075.db2.gz NLRSMZDUMMQPLH-GHMZBOCLSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1ccc(F)cc1 ZINC001228628189 1053149882 /nfs/dbraw/zinc/14/98/82/1053149882.db2.gz JKHQGJBLLARSKT-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1ccccc1F ZINC001228624044 1053150372 /nfs/dbraw/zinc/15/03/72/1053150372.db2.gz WWQJJGUGAQTRMX-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)c1cccs1 ZINC001228631449 1053151634 /nfs/dbraw/zinc/15/16/34/1053151634.db2.gz XJHYYZYVWLFNGG-SNVBAGLBSA-N -1 3 302.351 4.009 20 0 DIADHM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C2 ZINC001318342834 1053164271 /nfs/dbraw/zinc/16/42/71/1053164271.db2.gz LKXBDHBWUDFBHW-HNNXBMFYSA-N -1 3 319.813 4.010 20 0 DIADHM C[C@H](Oc1cc2c(cc1[O-])CCC2=O)c1ccc(Cl)cc1 ZINC001228853362 1053192474 /nfs/dbraw/zinc/19/24/74/1053192474.db2.gz IGMMSLOUAPJERL-JTQLQIEISA-N -1 3 302.757 4.315 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CCc4ccc(Cl)cc43)cc21 ZINC001228854216 1053194403 /nfs/dbraw/zinc/19/44/03/1053194403.db2.gz PFJHSEVEIXIALS-QGZVFWFLSA-N -1 3 314.768 4.241 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CCc4cc(Cl)ccc43)cc21 ZINC001228853901 1053194492 /nfs/dbraw/zinc/19/44/92/1053194492.db2.gz MKTHBWJRVICJAH-QGZVFWFLSA-N -1 3 314.768 4.241 20 0 DIADHM Cc1nnc([N-]C(=O)c2c(Cl)cc(Cl)cc2Cl)s1 ZINC001351708698 1053213020 /nfs/dbraw/zinc/21/30/20/1053213020.db2.gz GWXFLYVDOPNRGB-UHFFFAOYSA-N -1 3 322.604 4.059 20 0 DIADHM C[C@@H](Oc1cccc([O-])c1Br)c1cccc(F)c1 ZINC001229140054 1053256827 /nfs/dbraw/zinc/25/68/27/1053256827.db2.gz SIQADRROIZPOBM-SECBINFHSA-N -1 3 311.150 4.434 20 0 DIADHM O=C(Oc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC001351902072 1053240412 /nfs/dbraw/zinc/24/04/12/1053240412.db2.gz ITABXPUHXAKPCL-UHFFFAOYSA-N -1 3 316.662 4.284 20 0 DIADHM CCC[C@H](Oc1cc(O)cc([O-])c1Br)C(C)C ZINC001229100446 1053246193 /nfs/dbraw/zinc/24/61/93/1053246193.db2.gz SFRJNSSHWPCXPO-NSHDSACASA-N -1 3 303.196 4.064 20 0 DIADHM CC[C@@H]1CCCC[C@H]1Oc1cc(O)cc([O-])c1Br ZINC001229100193 1053246641 /nfs/dbraw/zinc/24/66/41/1053246641.db2.gz QSOQSPCOUPUYEQ-BXKDBHETSA-N -1 3 315.207 4.208 20 0 DIADHM CC(C)=CCC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099015 1053247160 /nfs/dbraw/zinc/24/71/60/1053247160.db2.gz IRAKUVRLSJRVNP-JTQLQIEISA-N -1 3 315.207 4.374 20 0 DIADHM [O-]c1cccc(O[C@H]2CCc3ccccc32)c1Br ZINC001229139678 1053256437 /nfs/dbraw/zinc/25/64/37/1053256437.db2.gz KFYXRFUCOXTUKX-ZDUSSCGKSA-N -1 3 305.171 4.221 20 0 DIADHM C[C@@H](COc1ccccc1)Oc1cccc([O-])c1Br ZINC001229139934 1053257273 /nfs/dbraw/zinc/25/72/73/1053257273.db2.gz OPNOMQAUEYPDSL-NSHDSACASA-N -1 3 323.186 4.001 20 0 DIADHM C[C@H](Oc1cccc([O-])c1Br)c1ccc(F)cc1 ZINC001229140083 1053257610 /nfs/dbraw/zinc/25/76/10/1053257610.db2.gz SXWZKMVJPSSRNX-VIFPVBQESA-N -1 3 311.150 4.434 20 0 DIADHM CC[C@H](C)Oc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC001229269052 1053287498 /nfs/dbraw/zinc/28/74/98/1053287498.db2.gz WEGOVOYKIOPKGM-LBPRGKRZSA-N -1 3 310.349 4.343 20 0 DIADHM C[C@@H](Oc1nc(=S)[n-]c2sccc21)c1ccccc1F ZINC001229569661 1053355199 /nfs/dbraw/zinc/35/51/99/1053355199.db2.gz MJBAYUGJPOFUPY-MRVPVSSYSA-N -1 3 306.387 4.259 20 0 DIADHM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC001545742567 1053362558 /nfs/dbraw/zinc/36/25/58/1053362558.db2.gz QYDIZMJSEPICNV-ZDUSSCGKSA-N -1 3 309.837 4.477 20 0 DIADHM CC(C)CC[C@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC001545742566 1053362724 /nfs/dbraw/zinc/36/27/24/1053362724.db2.gz QYDIZMJSEPICNV-CYBMUJFWSA-N -1 3 309.837 4.477 20 0 DIADHM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cccc([O-])c1F ZINC001545835972 1053368096 /nfs/dbraw/zinc/36/80/96/1053368096.db2.gz WSYGADHXKAXLQA-NXEZZACHSA-N -1 3 319.298 4.229 20 0 DIADHM Cc1nc(C(C)(C)NCc2cccc(Cl)c2[O-])sc1C ZINC000182223558 1053383369 /nfs/dbraw/zinc/38/33/69/1053383369.db2.gz LPWBRAOCMGACSX-UHFFFAOYSA-N -1 3 310.850 4.144 20 0 DIADHM CC[C@@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229806983 1053407145 /nfs/dbraw/zinc/40/71/45/1053407145.db2.gz DSAXWULRNCOQTF-LLVKDONJSA-N -1 3 302.370 4.242 20 0 DIADHM CC[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC001127685348 1053421008 /nfs/dbraw/zinc/42/10/08/1053421008.db2.gz AGRDSQVXCTXEKE-HNNXBMFYSA-N -1 3 320.772 4.362 20 0 DIADHM CCc1cccc(C(=O)N(CCc2ccccc2)C(C)C)c1[O-] ZINC001323318465 1053574973 /nfs/dbraw/zinc/57/49/73/1053574973.db2.gz JFUPSFNETGMMRN-UHFFFAOYSA-N -1 3 311.425 4.048 20 0 DIADHM CCCOCc1nc(=O)c2c(C3CCCCC3)csc2[n-]1 ZINC000620126958 1053608808 /nfs/dbraw/zinc/60/88/08/1053608808.db2.gz MSAATXGGYHQKQH-UHFFFAOYSA-N -1 3 306.431 4.371 20 0 DIADHM C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1cccs1 ZINC001230887361 1053618590 /nfs/dbraw/zinc/61/85/90/1053618590.db2.gz YYQWZZBWCNQJKS-MRVPVSSYSA-N -1 3 306.774 4.190 20 0 DIADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC001231074815 1053667193 /nfs/dbraw/zinc/66/71/93/1053667193.db2.gz YEDMHCQINGCIHN-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H]1C[C@H](Oc2ccccc2Oc2ccccc2[O-])CCO1 ZINC001231219836 1053703617 /nfs/dbraw/zinc/70/36/17/1053703617.db2.gz ASQUMUFPEPLMDY-UONOGXRCSA-N -1 3 300.354 4.131 20 0 DIADHM [O-]c1ccccc1Oc1ccccc1O[C@@H]1COc2cnccc21 ZINC001231222515 1053706527 /nfs/dbraw/zinc/70/65/27/1053706527.db2.gz GLYKGISXNJQGBA-LJQANCHMSA-N -1 3 321.332 4.092 20 0 DIADHM CC(C)N(Cc1cc(C(=O)[O-])ccc1F)[C@@H](C)c1ccccc1 ZINC001231460456 1053757600 /nfs/dbraw/zinc/75/76/00/1053757600.db2.gz JZSJTPWOEODGTA-AWEZNQCLSA-N -1 3 315.388 4.496 20 0 DIADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000156527597 1053813474 /nfs/dbraw/zinc/81/34/74/1053813474.db2.gz HHUGKDVSNWFCDX-UHFFFAOYSA-N -1 3 312.703 4.044 20 0 DIADHM Cc1ccc([C@H]2CCCN2Cc2ccc(Cl)c([O-])c2)cn1 ZINC001231734496 1053840712 /nfs/dbraw/zinc/84/07/12/1053840712.db2.gz AGFXFKROKXYLAM-MRXNPFEDSA-N -1 3 302.805 4.086 20 0 DIADHM Cc1ccccc1O[C@H]1CCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231737093 1053846057 /nfs/dbraw/zinc/84/60/57/1053846057.db2.gz NDOHJWLMWCYXME-HNNXBMFYSA-N -1 3 317.816 4.007 20 0 DIADHM Cc1sc(NC(=O)c2ccc(C)c(C)c2[O-])nc1C(C)C ZINC001300645168 1053902147 /nfs/dbraw/zinc/90/21/47/1053902147.db2.gz VHAVBUGQDWHGDK-UHFFFAOYSA-N -1 3 304.415 4.150 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1ccc(F)c(F)c1F ZINC001437593511 1054066512 /nfs/dbraw/zinc/06/65/12/1054066512.db2.gz ZKWBSDQBVHHTGB-UHFFFAOYSA-N -1 3 315.291 4.217 20 0 DIADHM CCSc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000671162619 1054081263 /nfs/dbraw/zinc/08/12/63/1054081263.db2.gz OFBHDFVBSWEQQD-AWEZNQCLSA-N -1 3 321.467 4.166 20 0 DIADHM [O-]c1cccc(CN2CCC(c3cccs3)CC2)c1Cl ZINC001232787792 1054118923 /nfs/dbraw/zinc/11/89/23/1054118923.db2.gz UBCONZMPGVSVAV-UHFFFAOYSA-N -1 3 307.846 4.487 20 0 DIADHM CN(Cc1cccc([O-])c1Cl)Cc1cccc2cccnc21 ZINC001232788438 1054121231 /nfs/dbraw/zinc/12/12/31/1054121231.db2.gz VOOMZHCXJZQTKH-UHFFFAOYSA-N -1 3 312.800 4.226 20 0 DIADHM CC(C)c1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000622278292 1054144710 /nfs/dbraw/zinc/14/47/10/1054144710.db2.gz QRPASHDTGUFSNG-UHFFFAOYSA-N -1 3 317.816 4.441 20 0 DIADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622287145 1054147513 /nfs/dbraw/zinc/14/75/13/1054147513.db2.gz ZOLCOOMKPNJKCQ-LLVKDONJSA-N -1 3 323.314 4.244 20 0 DIADHM CCc1ccc(C(=O)N(CC)Cc2ccc(Cl)s2)c([O-])c1 ZINC000622290757 1054149067 /nfs/dbraw/zinc/14/90/67/1054149067.db2.gz NMIUIAOLDKVDTF-UHFFFAOYSA-N -1 3 323.845 4.332 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000622298514 1054157607 /nfs/dbraw/zinc/15/76/07/1054157607.db2.gz LTUBYGGIINWDQH-GFCCVEGCSA-N -1 3 317.816 4.441 20 0 DIADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C1CCC(C(C)(C)C)CC1 ZINC000622300208 1054157788 /nfs/dbraw/zinc/15/77/88/1054157788.db2.gz DGHFJNOJWADLMF-UHFFFAOYSA-N -1 3 321.436 4.137 20 0 DIADHM CC1(c2ccccc2)CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232973617 1054161022 /nfs/dbraw/zinc/16/10/22/1054161022.db2.gz GVBVCBVKJQDMLD-UHFFFAOYSA-N -1 3 317.379 4.224 20 0 DIADHM CCN(Cc1ccc(C)c(C)c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232974206 1054162395 /nfs/dbraw/zinc/16/23/95/1054162395.db2.gz QQPMUGVGSWPNNG-UHFFFAOYSA-N -1 3 305.368 4.309 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232972334 1054163356 /nfs/dbraw/zinc/16/33/56/1054163356.db2.gz NAUHMYVXSPANFU-MRXNPFEDSA-N -1 3 303.352 4.316 20 0 DIADHM [O-]c1cc(CN2CCC[C@@H](c3ccccc3)CC2)cc(F)c1F ZINC001232976091 1054163513 /nfs/dbraw/zinc/16/35/13/1054163513.db2.gz VPIASUHJNQRLSU-MRXNPFEDSA-N -1 3 317.379 4.440 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000622316747 1054169438 /nfs/dbraw/zinc/16/94/38/1054169438.db2.gz ANCFHXWDRFRKEX-KRWDZBQOSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1ccc(C(=O)N(Cc2cccc(F)c2)C(C)C)c([O-])c1 ZINC000622327593 1054174578 /nfs/dbraw/zinc/17/45/78/1054174578.db2.gz MPMMYFZAYFFURO-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233035254 1054175603 /nfs/dbraw/zinc/17/56/03/1054175603.db2.gz DBOQYFPKEONVLN-OAHLLOKOSA-N -1 3 302.805 4.086 20 0 DIADHM [O-]c1cccc(CN2CC[C@@H](c3ccccc3)C(F)(F)C2)c1F ZINC001233056044 1054177234 /nfs/dbraw/zinc/17/72/34/1054177234.db2.gz YPNWJHLKSFRVFM-HNNXBMFYSA-N -1 3 321.342 4.156 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(Cl)ncc1[O-] ZINC001233039258 1054177946 /nfs/dbraw/zinc/17/79/46/1054177946.db2.gz RMRSRXUFKCEFMX-SNVBAGLBSA-N -1 3 311.212 4.287 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC000622358406 1054179599 /nfs/dbraw/zinc/17/95/99/1054179599.db2.gz MDOLFYJGFQUDPD-SFHVURJKSA-N -1 3 323.436 4.050 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(OC(C)C)cc2F)c([O-])c1 ZINC000622338592 1054179849 /nfs/dbraw/zinc/17/98/49/1054179849.db2.gz QRJKOVWHTMLNPV-UHFFFAOYSA-N -1 3 317.360 4.133 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000622368503 1054194595 /nfs/dbraw/zinc/19/45/95/1054194595.db2.gz ZKIAXYWSKOHGBQ-GOSISDBHSA-N -1 3 311.425 4.424 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)n1CC1CC1 ZINC001335666605 1054223877 /nfs/dbraw/zinc/22/38/77/1054223877.db2.gz PFFQSLVKDIKABQ-UHFFFAOYSA-N -1 3 318.804 4.126 20 0 DIADHM COc1ccc([C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001472983587 1054235985 /nfs/dbraw/zinc/23/59/85/1054235985.db2.gz YTJWJDCUDAGGFB-NSHDSACASA-N -1 3 316.426 4.063 20 0 DIADHM COc1ccc(CN2CC[C@H]2c2ccccc2)c(Cl)c1[O-] ZINC001233400897 1054260945 /nfs/dbraw/zinc/26/09/45/1054260945.db2.gz CWLIQZHJBQRGMC-AWEZNQCLSA-N -1 3 303.789 4.001 20 0 DIADHM CCN(Cc1cccs1)Cc1ccc(OC)c([O-])c1Cl ZINC001233401061 1054263130 /nfs/dbraw/zinc/26/31/30/1054263130.db2.gz KJAVICYYJYEZAI-UHFFFAOYSA-N -1 3 311.834 4.138 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H](C)c1cnc2ccccn21 ZINC001233591952 1054302106 /nfs/dbraw/zinc/30/21/06/1054302106.db2.gz ILGBUYABHQLTGB-NSHDSACASA-N -1 3 302.761 4.142 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC1CCN(c2ccccc2)CC1 ZINC001233593133 1054305358 /nfs/dbraw/zinc/30/53/58/1054305358.db2.gz UOSYEPPLRJERPJ-UHFFFAOYSA-N -1 3 317.816 4.402 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@H](C)COCc1ccccc1 ZINC001233593456 1054305540 /nfs/dbraw/zinc/30/55/40/1054305540.db2.gz XTVIILMKAQZVCD-CYBMUJFWSA-N -1 3 306.789 4.338 20 0 DIADHM COc1cccc(OC[C@H](C)Oc2cc(Cl)c([O-])cc2C)c1 ZINC001233592823 1054305810 /nfs/dbraw/zinc/30/58/10/1054305810.db2.gz PVRSCLCONKFBOE-LBPRGKRZSA-N -1 3 322.788 4.209 20 0 DIADHM COc1ccc(C(=O)[N-]c2ccccc2SC(F)(F)F)o1 ZINC001356291793 1054314651 /nfs/dbraw/zinc/31/46/51/1054314651.db2.gz LLRAIWSICAUVGP-UHFFFAOYSA-N -1 3 317.288 4.152 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)c([O-])c1 ZINC000622667786 1054332054 /nfs/dbraw/zinc/33/20/54/1054332054.db2.gz SRKCTMCKGRMSCB-KRWDZBQOSA-N -1 3 313.372 4.125 20 0 DIADHM Cc1cccc(CN[C@H](C)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000185086214 1054352114 /nfs/dbraw/zinc/35/21/14/1054352114.db2.gz GLSSOZHYDRJKRG-SNVBAGLBSA-N -1 3 311.212 4.253 20 0 DIADHM O=C(Nc1ccccc1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001440566906 1054358094 /nfs/dbraw/zinc/35/80/94/1054358094.db2.gz QLBYSHANOGPZIA-UHFFFAOYSA-N -1 3 317.388 4.430 20 0 DIADHM Cc1ccc([C@H](C)NC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001441112427 1054383317 /nfs/dbraw/zinc/38/33/17/1054383317.db2.gz WGIZHCGMHUYSKQ-LBPRGKRZSA-N -1 3 311.406 4.406 20 0 DIADHM Cc1nc(NC(=O)c2ccc(C)cc2[O-])sc1-c1ccccc1 ZINC001441737835 1054396806 /nfs/dbraw/zinc/39/68/06/1054396806.db2.gz QPABLSBHGHARKL-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM CCCCOc1ccc(NC(=O)c2cc(C)ccc2[O-])c(C)c1 ZINC001442082753 1054407740 /nfs/dbraw/zinc/40/77/40/1054407740.db2.gz ZXXKHFBJHMMCKR-UHFFFAOYSA-N -1 3 313.397 4.440 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc(CSC)cc2)c1 ZINC001443170576 1054442737 /nfs/dbraw/zinc/44/27/37/1054442737.db2.gz YJTUEGVTEHBRNL-UHFFFAOYSA-N -1 3 301.411 4.070 20 0 DIADHM CC[C@H](C)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444357693 1054475326 /nfs/dbraw/zinc/47/53/26/1054475326.db2.gz WZBZQAFNVKRNBY-GJZGRUSLSA-N -1 3 311.425 4.147 20 0 DIADHM C[C@H](Oc1c(Cl)ccc([O-])c1F)c1cccnc1Cl ZINC001234263650 1054479991 /nfs/dbraw/zinc/47/99/91/1054479991.db2.gz FMUOIUPLVNHLSQ-ZETCQYMHSA-N -1 3 302.132 4.373 20 0 DIADHM C[C@@H](Oc1c(Cl)ccc([O-])c1F)c1cccnc1Cl ZINC001234263649 1054480113 /nfs/dbraw/zinc/48/01/13/1054480113.db2.gz FMUOIUPLVNHLSQ-SSDOTTSWSA-N -1 3 302.132 4.373 20 0 DIADHM C[C@@H]1Cc2ccccc2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001445034869 1054494766 /nfs/dbraw/zinc/49/47/66/1054494766.db2.gz NCPMWTORELOHRV-CQSZACIVSA-N -1 3 317.388 4.132 20 0 DIADHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1c(C)cccc1[O-] ZINC001445291153 1054501721 /nfs/dbraw/zinc/50/17/21/1054501721.db2.gz BKHJPAQDAYBDNS-UHFFFAOYSA-N -1 3 309.287 4.280 20 0 DIADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1OC1CCC1 ZINC001234379970 1054513233 /nfs/dbraw/zinc/51/32/33/1054513233.db2.gz NANYBWGRRALVHW-UHFFFAOYSA-N -1 3 308.333 4.097 20 0 DIADHM O=C(N[C@H]1C=CCCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001445708310 1054515943 /nfs/dbraw/zinc/51/59/43/1054515943.db2.gz GCFGRQHLBSOVBA-SFHVURJKSA-N -1 3 321.420 4.016 20 0 DIADHM COc1ccc([C@@H](C)Oc2c([O-])cc(Cl)cc2F)c(F)c1 ZINC001234443266 1054523332 /nfs/dbraw/zinc/52/33/32/1054523332.db2.gz FEKUYBHOWOXGML-MRVPVSSYSA-N -1 3 314.715 4.472 20 0 DIADHM Cc1cccc(OC[C@H](C)Oc2c([O-])cc(Cl)cc2F)c1 ZINC001234443295 1054524390 /nfs/dbraw/zinc/52/43/90/1054524390.db2.gz FXBYJNACKUDMCV-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM O=C1CC[C@H](Oc2c([O-])cc(Cl)cc2F)c2ccccc21 ZINC001234448529 1054525905 /nfs/dbraw/zinc/52/59/05/1054525905.db2.gz UECPNYQWNLABSS-HNNXBMFYSA-N -1 3 306.720 4.281 20 0 DIADHM C[C@@H](COc1c([O-])cc(Cl)cc1F)OCc1ccccc1 ZINC001234448910 1054526888 /nfs/dbraw/zinc/52/68/88/1054526888.db2.gz YHLGLUXBIYVKKC-NSHDSACASA-N -1 3 310.752 4.169 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc2c(cccc2C2CC2)[nH]1 ZINC001446239723 1054532090 /nfs/dbraw/zinc/53/20/90/1054532090.db2.gz KVAXDOYWTHDLOG-UHFFFAOYSA-N -1 3 310.328 4.142 20 0 DIADHM CC(C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001446316579 1054534285 /nfs/dbraw/zinc/53/42/85/1054534285.db2.gz ZYSDVEXWDCMXEW-UHFFFAOYSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001446704255 1054543831 /nfs/dbraw/zinc/54/38/31/1054543831.db2.gz YQHOPPYNGCJAEO-UHFFFAOYSA-N -1 3 324.405 4.000 20 0 DIADHM CCC(C)(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001447287148 1054559814 /nfs/dbraw/zinc/55/98/14/1054559814.db2.gz JKYSQNGSNLPFIR-UHFFFAOYSA-N -1 3 301.361 4.471 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(F)c(SC)c(F)c2)c1 ZINC001447628798 1054568116 /nfs/dbraw/zinc/56/81/16/1054568116.db2.gz CECYNAYYPUDYTM-UHFFFAOYSA-N -1 3 323.364 4.207 20 0 DIADHM C/C(=C\c1ccc(C)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001546000498 1054574564 /nfs/dbraw/zinc/57/45/64/1054574564.db2.gz QEJZYEALTXFPRQ-FMIVXFBMSA-N -1 3 301.773 4.396 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234687776 1054577092 /nfs/dbraw/zinc/57/70/92/1054577092.db2.gz BHZBCMHNXUAYDS-KRWDZBQOSA-N -1 3 318.376 4.224 20 0 DIADHM CC(C)Cc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001546000653 1054578456 /nfs/dbraw/zinc/57/84/56/1054578456.db2.gz XBEUVOJKHCJITB-UHFFFAOYSA-N -1 3 317.816 4.425 20 0 DIADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccc(F)cc1 ZINC001234688561 1054578662 /nfs/dbraw/zinc/57/86/62/1054578662.db2.gz ILUSTIMGEVSNSF-LBPRGKRZSA-N -1 3 310.328 4.128 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC001447843319 1054579914 /nfs/dbraw/zinc/57/99/14/1054579914.db2.gz BKAJOFIYXFFRFY-UHFFFAOYSA-N -1 3 319.788 4.394 20 0 DIADHM O=C(NC1(Cc2ccccc2)CC1)c1cc2sccc2c([O-])c1 ZINC001447975412 1054582807 /nfs/dbraw/zinc/58/28/07/1054582807.db2.gz RYAYPWOUMIYVIR-UHFFFAOYSA-N -1 3 323.417 4.112 20 0 DIADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001448080309 1054588126 /nfs/dbraw/zinc/58/81/26/1054588126.db2.gz DGIMUSUBQLJLNX-HNAYVOBHSA-N -1 3 323.436 4.244 20 0 DIADHM COc1cccc([C@@H](C)CCCC(=O)[N-]OC2CCCCC2)c1 ZINC001448117834 1054589758 /nfs/dbraw/zinc/58/97/58/1054589758.db2.gz ZBIJUPFAZFYSRG-HNNXBMFYSA-N -1 3 319.445 4.350 20 0 DIADHM c1cc2nc(O[C@@H](c3ccccc3)c3ccccn3)[n-]c2s1 ZINC001234847277 1054598620 /nfs/dbraw/zinc/59/86/20/1054598620.db2.gz HMXODDMFGFNJFC-HNNXBMFYSA-N -1 3 307.378 4.188 20 0 DIADHM O=C(NC1CCC2(CC2)CC1)c1cc2sccc2c([O-])c1 ZINC001449023240 1054612673 /nfs/dbraw/zinc/61/26/73/1054612673.db2.gz IFXZDVNUVUFJQU-UHFFFAOYSA-N -1 3 301.411 4.060 20 0 DIADHM CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC001449448936 1054621562 /nfs/dbraw/zinc/62/15/62/1054621562.db2.gz QRVMQZGBMUSRSS-CQSZACIVSA-N -1 3 303.427 4.306 20 0 DIADHM CCCCC1CCC(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC001450053329 1054634698 /nfs/dbraw/zinc/63/46/98/1054634698.db2.gz BEAGNSPIQDUWIJ-UHFFFAOYSA-N -1 3 315.417 4.204 20 0 DIADHM CCCC[C@H](C)N(CCCC)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001450072989 1054636277 /nfs/dbraw/zinc/63/62/77/1054636277.db2.gz JCSQVNVVNLRMAY-AWEZNQCLSA-N -1 3 319.445 4.416 20 0 DIADHM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001450404243 1054647310 /nfs/dbraw/zinc/64/73/10/1054647310.db2.gz IPQVBMWGKCXRFT-HOCLYGCPSA-N -1 3 303.446 4.462 20 0 DIADHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001450404235 1054647669 /nfs/dbraw/zinc/64/76/69/1054647669.db2.gz IPQVBMWGKCXRFT-GOEBONIOSA-N -1 3 303.446 4.462 20 0 DIADHM CC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCCC1 ZINC001450673928 1054657635 /nfs/dbraw/zinc/65/76/35/1054657635.db2.gz RTDPRJKBZXDENL-UHFFFAOYSA-N -1 3 303.427 4.307 20 0 DIADHM Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3(C)C)c([O-])c1 ZINC001450736337 1054660072 /nfs/dbraw/zinc/66/00/72/1054660072.db2.gz CZSOCJYHAUAGSZ-UHFFFAOYSA-N -1 3 316.426 4.023 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001451737170 1054685801 /nfs/dbraw/zinc/68/58/01/1054685801.db2.gz HCHJXMHQVCQBFB-HUUCEWRRSA-N -1 3 321.486 4.401 20 0 DIADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cc(F)ccc1[O-] ZINC000179649572 1054692876 /nfs/dbraw/zinc/69/28/76/1054692876.db2.gz JGZVXVDQUDKCHI-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c1 ZINC001299248370 1054706664 /nfs/dbraw/zinc/70/66/64/1054706664.db2.gz JTBYHMSRJFVDCL-KGLIPLIRSA-N -1 3 307.459 4.059 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc(Nc3ccccc3)cn2)c1 ZINC001453767706 1054747316 /nfs/dbraw/zinc/74/73/16/1054747316.db2.gz HEZBJLSZBPZLGU-UHFFFAOYSA-N -1 3 319.364 4.092 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c([O-])c1C ZINC001454975793 1054786884 /nfs/dbraw/zinc/78/68/84/1054786884.db2.gz LSAICSUGRJCMEH-UHFFFAOYSA-N -1 3 309.287 4.338 20 0 DIADHM Cc1csc(-c2cc(C)nnc2-c2cc([O-])cc(Cl)c2)n1 ZINC001235898721 1054836582 /nfs/dbraw/zinc/83/65/82/1054836582.db2.gz CABYOSSHEMEECC-UHFFFAOYSA-N -1 3 317.801 4.243 20 0 DIADHM CN(c1ccccc1)c1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235899456 1054836752 /nfs/dbraw/zinc/83/67/52/1054836752.db2.gz HWPBNOQOOYAHFS-UHFFFAOYSA-N -1 3 311.772 4.271 20 0 DIADHM COC(=O)c1cc2ccccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901848 1054839154 /nfs/dbraw/zinc/83/91/54/1054839154.db2.gz YQEWEKNKEDUVNO-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM CSc1nc2c(c(-c3cc([O-])cc(Cl)c3)n1)CCCC2 ZINC001235901234 1054839998 /nfs/dbraw/zinc/83/99/98/1054839998.db2.gz UGOOZTQYPUNKSL-UHFFFAOYSA-N -1 3 306.818 4.103 20 0 DIADHM CSc1nc2ccccc2c(-c2cc([O-])cc(Cl)c2)n1 ZINC001235900341 1054840799 /nfs/dbraw/zinc/84/07/99/1054840799.db2.gz UYQGORSCKYFDJU-UHFFFAOYSA-N -1 3 302.786 4.378 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ncnc3[nH]c4cc(F)ccc4c32)c1 ZINC001235903594 1054841034 /nfs/dbraw/zinc/84/10/34/1054841034.db2.gz FIMOVKHCZZAFLL-UHFFFAOYSA-N -1 3 313.719 4.276 20 0 DIADHM COc1ccc(-c2ccc(-c3cc([O-])cc(Cl)c3)nn2)cc1 ZINC001235900397 1054841080 /nfs/dbraw/zinc/84/10/80/1054841080.db2.gz NKBPJASMZYKWTA-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM CC(C)(C)OC(=O)Nc1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235903993 1054842992 /nfs/dbraw/zinc/84/29/92/1054842992.db2.gz NCYSJXGXIYUBFJ-UHFFFAOYSA-N -1 3 320.776 4.455 20 0 DIADHM CC(C)c1ncsc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC001535339627 1054906748 /nfs/dbraw/zinc/90/67/48/1054906748.db2.gz QMLXKGILKIWAII-UHFFFAOYSA-N -1 3 316.760 4.450 20 0 DIADHM O=C(CCc1ccc2[nH]ccc2c1)Nc1cc(Cl)ccc1[O-] ZINC000181477850 1054918314 /nfs/dbraw/zinc/91/83/14/1054918314.db2.gz OOZQAGFFTWVCNE-UHFFFAOYSA-N -1 3 314.772 4.098 20 0 DIADHM CSc1cc(C)ccc1[N-]C(=O)c1nc(Cl)ccc1F ZINC001536490872 1055115302 /nfs/dbraw/zinc/11/53/02/1055115302.db2.gz DKMRGVKISQGTDG-UHFFFAOYSA-N -1 3 310.781 4.157 20 0 DIADHM CC(C)Nc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001236483855 1055140259 /nfs/dbraw/zinc/14/02/59/1055140259.db2.gz RWWCMIJWBDPMCF-UHFFFAOYSA-N -1 3 313.348 4.271 20 0 DIADHM CCOc1ccc(C)c(F)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001236549286 1055178354 /nfs/dbraw/zinc/17/83/54/1055178354.db2.gz ZOHRUAFYSQUFGG-UHFFFAOYSA-N -1 3 301.386 4.495 20 0 DIADHM COc1cccc([C@@H]2CCCCN2Cc2ccc(F)c([O-])c2)c1 ZINC001236705350 1055231434 /nfs/dbraw/zinc/23/14/34/1055231434.db2.gz LDQKZDJOUMILJH-SFHVURJKSA-N -1 3 315.388 4.267 20 0 DIADHM [O-]c1cc(CN2CCCC[C@@H]2c2ccccc2F)ccc1F ZINC001236706559 1055237223 /nfs/dbraw/zinc/23/72/23/1055237223.db2.gz ZLCAXUKQXRGGET-QGZVFWFLSA-N -1 3 303.352 4.398 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2cc3c(cccc3F)s2)n1 ZINC001537168476 1055244731 /nfs/dbraw/zinc/24/47/31/1055244731.db2.gz JRFCGPRBIXGCES-UHFFFAOYSA-N -1 3 321.402 4.268 20 0 DIADHM Cc1ccc(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c([O-])c1C ZINC001587363259 1055275824 /nfs/dbraw/zinc/27/58/24/1055275824.db2.gz GFPVCFHHFLDMMH-HNNXBMFYSA-N -1 3 309.409 4.454 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2ccc(-c3ccccc3)o2)n1 ZINC001537493464 1055339798 /nfs/dbraw/zinc/33/97/98/1055339798.db2.gz PDOVNNZOCRYSPM-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001587739214 1055355190 /nfs/dbraw/zinc/35/51/90/1055355190.db2.gz CFRUVSLVPBXQPB-WBVHZDCISA-N -1 3 321.486 4.310 20 0 DIADHM CN(C)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC001587854140 1055379389 /nfs/dbraw/zinc/37/93/89/1055379389.db2.gz LXPFXVUJLRIUBM-UHFFFAOYSA-N -1 3 324.355 4.003 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)c([O-])c1 ZINC001588168209 1055440483 /nfs/dbraw/zinc/44/04/83/1055440483.db2.gz WFDHWXJCCSYNAG-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM CN(C(=O)c1cc([O-])c2ccccc2c1)[C@H]1CCc2ccccc21 ZINC000471621902 1055451498 /nfs/dbraw/zinc/45/14/98/1055451498.db2.gz YCGADABPWMQULN-IBGZPJMESA-N -1 3 317.388 4.305 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC001626032479 1055456518 /nfs/dbraw/zinc/45/65/18/1055456518.db2.gz WCVZQBLIYWXCBT-SNVBAGLBSA-N -1 3 321.829 4.259 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c([O-])c1 ZINC000023644018 1055502229 /nfs/dbraw/zinc/50/22/29/1055502229.db2.gz RZFGXWHKYTVHMO-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM C[C@@H](c1cccs1)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471793239 1055535919 /nfs/dbraw/zinc/53/59/19/1055535919.db2.gz MFJSXKDHCCHYCU-LBPRGKRZSA-N -1 3 311.406 4.440 20 0 DIADHM [O-]c1c(F)cc(CN2C[C@@H]3C[C@H](C2)c2ccccc23)cc1Cl ZINC001237987252 1055577341 /nfs/dbraw/zinc/57/73/41/1055577341.db2.gz BAWFAVBKFDPEQJ-BETUJISGSA-N -1 3 317.791 4.271 20 0 DIADHM C[C@@H](Cc1ccccc1F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471857027 1055578735 /nfs/dbraw/zinc/57/87/35/1055578735.db2.gz NECYBDGCAGYJMQ-ZDUSSCGKSA-N -1 3 323.367 4.046 20 0 DIADHM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001595104908 1055578947 /nfs/dbraw/zinc/57/89/47/1055578947.db2.gz RESHORGRLJTEDC-CYBMUJFWSA-N -1 3 315.388 4.454 20 0 DIADHM CCc1ccc(C(=O)N2CCC(CCC(C)C)CC2)c([O-])c1 ZINC001595503260 1055604456 /nfs/dbraw/zinc/60/44/56/1055604456.db2.gz LOEBEHSAIHHXAW-UHFFFAOYSA-N -1 3 303.446 4.243 20 0 DIADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000032098393 1055649365 /nfs/dbraw/zinc/64/93/65/1055649365.db2.gz JNQMOUVQOWDFCF-UHFFFAOYSA-N -1 3 303.427 4.057 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c([O-])c1 ZINC001626047558 1055653026 /nfs/dbraw/zinc/65/30/26/1055653026.db2.gz RQQLVUYQESKXIX-UHFFFAOYSA-N -1 3 321.380 4.097 20 0 DIADHM CCCCCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001538543363 1055654910 /nfs/dbraw/zinc/65/49/10/1055654910.db2.gz XMOMXMHWBPCVRL-UHFFFAOYSA-N -1 3 315.388 4.445 20 0 DIADHM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1[O-] ZINC000036625148 1055662076 /nfs/dbraw/zinc/66/20/76/1055662076.db2.gz BMQFTZAIFOJOKB-ZDUSSCGKSA-N -1 3 319.813 4.013 20 0 DIADHM CC(C)(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000062040388 1055689111 /nfs/dbraw/zinc/68/91/11/1055689111.db2.gz NUTRHYAOXJOPKX-UHFFFAOYSA-N -1 3 303.789 4.253 20 0 DIADHM CCOc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC001596481368 1055715568 /nfs/dbraw/zinc/71/55/68/1055715568.db2.gz DRDICNGXLZNRRU-UHFFFAOYSA-N -1 3 305.761 4.005 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC001565721030 1055720605 /nfs/dbraw/zinc/72/06/05/1055720605.db2.gz DLWZIDASXWKEKY-UHFFFAOYSA-N -1 3 318.376 4.269 20 0 DIADHM CCCc1cnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000472484377 1055728224 /nfs/dbraw/zinc/72/82/24/1055728224.db2.gz HZRLOSKREMKCPY-UHFFFAOYSA-N -1 3 312.394 4.207 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC001538964406 1055763718 /nfs/dbraw/zinc/76/37/18/1055763718.db2.gz LRLNFCFUXCZOFY-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CC1(C)C[C@@]1(C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001596973914 1055767679 /nfs/dbraw/zinc/76/76/79/1055767679.db2.gz MDFCAXRVBXOQJV-SFHVURJKSA-N -1 3 315.800 4.352 20 0 DIADHM C[C@H]1CCc2sc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1 ZINC001596967658 1055768196 /nfs/dbraw/zinc/76/81/96/1055768196.db2.gz OBAFFKRQKIWOSQ-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM CN(C[C@H]1CC=CCC1)C(=O)c1cc2sccc2c([O-])c1 ZINC001566755031 1055778970 /nfs/dbraw/zinc/77/89/70/1055778970.db2.gz WVAOMNAQMCYPPD-LBPRGKRZSA-N -1 3 301.411 4.035 20 0 DIADHM CC(C)c1nsc([N-]C(=O)c2cc3sccc3s2)n1 ZINC001597145109 1055795317 /nfs/dbraw/zinc/79/53/17/1055795317.db2.gz GLKLKRVYTATJFH-UHFFFAOYSA-N -1 3 309.441 4.190 20 0 DIADHM CC1(C)Cc2cc(C(=O)Nc3ccc(Cl)cc3[O-])ccc2O1 ZINC001567234057 1055795485 /nfs/dbraw/zinc/79/54/85/1055795485.db2.gz CGUPDFDHZYTYJH-UHFFFAOYSA-N -1 3 317.772 4.011 20 0 DIADHM O=C(CC1CCCCC1)Nc1cc(Br)ccc1[O-] ZINC001567237457 1055796950 /nfs/dbraw/zinc/79/69/50/1055796950.db2.gz SUASCUCOQMVIIM-UHFFFAOYSA-N -1 3 312.207 4.064 20 0 DIADHM Cc1c2ccccc2sc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001567348135 1055801480 /nfs/dbraw/zinc/80/14/80/1055801480.db2.gz KQRHCUFVYNZOPM-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccc(C(C)C)c(Cl)c2)n1 ZINC001568295793 1055833527 /nfs/dbraw/zinc/83/35/27/1055833527.db2.gz DUNHORRKRMZGOS-UHFFFAOYSA-N -1 3 304.777 4.125 20 0 DIADHM CCc1ccc(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)c([O-])c1 ZINC001568641583 1055841720 /nfs/dbraw/zinc/84/17/20/1055841720.db2.gz WVOWTZBZFAHSBZ-QGZVFWFLSA-N -1 3 323.436 4.201 20 0 DIADHM CSc1cc(O)ccc1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC001568657696 1055842183 /nfs/dbraw/zinc/84/21/83/1055842183.db2.gz MMWCNINBGUVOST-UHFFFAOYSA-N -1 3 322.455 4.120 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC001568641410 1055842694 /nfs/dbraw/zinc/84/26/94/1055842694.db2.gz UBAGHOSSMIROAR-SNVBAGLBSA-N -1 3 324.207 4.498 20 0 DIADHM CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001597528760 1055844266 /nfs/dbraw/zinc/84/42/66/1055844266.db2.gz SAGJPBVOJUTTRM-SFHVURJKSA-N -1 3 309.409 4.178 20 0 DIADHM CCc1ccc(C(=O)N2Cc3cccc(C)c3CC2(C)C)c([O-])c1 ZINC001569451086 1055862884 /nfs/dbraw/zinc/86/28/84/1055862884.db2.gz XSEGOSJIWGSGSS-UHFFFAOYSA-N -1 3 323.436 4.240 20 0 DIADHM CON(C(=O)c1cc([O-])ccc1Cl)[C@H](C)c1ccccc1C ZINC001569957981 1055880642 /nfs/dbraw/zinc/88/06/42/1055880642.db2.gz XFYXTKMUWMLINN-GFCCVEGCSA-N -1 3 319.788 4.119 20 0 DIADHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000063146372 1055883777 /nfs/dbraw/zinc/88/37/77/1055883777.db2.gz YMCDREBZUVWVSP-UHFFFAOYSA-N -1 3 319.426 4.056 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001570438843 1055900638 /nfs/dbraw/zinc/90/06/38/1055900638.db2.gz LFOFGQDCEVLBPC-KRWDZBQOSA-N -1 3 309.409 4.109 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c([O-])c1 ZINC001570648690 1055910499 /nfs/dbraw/zinc/91/04/99/1055910499.db2.gz CNFLNLPAOCMHPA-GOSISDBHSA-N -1 3 313.441 4.332 20 0 DIADHM CCc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c([O-])c1 ZINC001539840652 1055916064 /nfs/dbraw/zinc/91/60/64/1055916064.db2.gz FFJQXLGPKXFOSA-IBGZPJMESA-N -1 3 309.409 4.144 20 0 DIADHM CC(C)CCc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001598254337 1055929920 /nfs/dbraw/zinc/92/99/20/1055929920.db2.gz DLPQUZJKEWFDMG-UHFFFAOYSA-N -1 3 315.388 4.301 20 0 DIADHM COc1cc(C)c(NC(=O)c2cc([O-])c3ccccc3c2)cc1C ZINC000473221052 1055982391 /nfs/dbraw/zinc/98/23/91/1055982391.db2.gz SGIJIXPODVSBKE-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000067139099 1055987667 /nfs/dbraw/zinc/98/76/67/1055987667.db2.gz UGXISWZZZSNEMM-UHFFFAOYSA-N -1 3 323.801 4.017 20 0 DIADHM CCCOc1ccc(COC(=O)c2cc3occc3[n-]2)c(C)c1 ZINC001583055362 1056013514 /nfs/dbraw/zinc/01/35/14/1056013514.db2.gz TWAAAPMNKWAALD-UHFFFAOYSA-N -1 3 313.353 4.215 20 0 DIADHM Cc1c(Cl)cccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001540317694 1056016175 /nfs/dbraw/zinc/01/61/75/1056016175.db2.gz CWZLYOSQSZTMMG-UHFFFAOYSA-N -1 3 315.800 4.485 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC001540479110 1056034416 /nfs/dbraw/zinc/03/44/16/1056034416.db2.gz XLHOZQHABORPTA-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1coc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC001583192134 1056036387 /nfs/dbraw/zinc/03/63/87/1056036387.db2.gz SJGZDDFRUKYTHO-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM Cc1cc2c(CC(=O)[N-]OCc3ccccc3)csc2s1 ZINC001540601251 1056050435 /nfs/dbraw/zinc/05/04/35/1056050435.db2.gz QVOBWFCJVVJYLZ-UHFFFAOYSA-N -1 3 317.435 4.062 20 0 DIADHM C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000110956835 1056056343 /nfs/dbraw/zinc/05/63/43/1056056343.db2.gz PYPJUNQFTRKICX-JTQLQIEISA-N -1 3 309.818 4.293 20 0 DIADHM Cc1cccc2cc(C(=O)[N-]c3nc(-c4ccccc4)no3)oc21 ZINC001610232846 1056072240 /nfs/dbraw/zinc/07/22/40/1056072240.db2.gz UHVLYCWAPBAIOB-UHFFFAOYSA-N -1 3 319.320 4.044 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001540761913 1056072229 /nfs/dbraw/zinc/07/22/29/1056072229.db2.gz ZKFGVSFGBFDKDD-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001610900908 1056075440 /nfs/dbraw/zinc/07/54/40/1056075440.db2.gz WMOIWKPBSLSJPK-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM Cc1ccccc1C1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC001610899334 1056075969 /nfs/dbraw/zinc/07/59/69/1056075969.db2.gz CUZGLDCCLSDXSK-UHFFFAOYSA-N -1 3 315.800 4.414 20 0 DIADHM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC001610900907 1056076031 /nfs/dbraw/zinc/07/60/31/1056076031.db2.gz WMOIWKPBSLSJPK-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM Cc1cccc(C2(CNC(=O)c3ccccc3[O-])CCCCC2)c1 ZINC001541042642 1056088430 /nfs/dbraw/zinc/08/84/30/1056088430.db2.gz HKPMSUNTJDHSGN-UHFFFAOYSA-N -1 3 323.436 4.333 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1c(F)ccc(C)c1F ZINC001611005439 1056092999 /nfs/dbraw/zinc/09/29/99/1056092999.db2.gz WCXQUDPRBXIOPK-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM CCc1ccc(C(=O)NCc2csc3ccccc23)c([O-])c1 ZINC001541626317 1056098840 /nfs/dbraw/zinc/09/88/40/1056098840.db2.gz QFARYGLVRCYNKP-UHFFFAOYSA-N -1 3 311.406 4.099 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC001542098303 1056103494 /nfs/dbraw/zinc/10/34/94/1056103494.db2.gz JCKSIPPYNGODDU-GOSISDBHSA-N -1 3 323.436 4.192 20 0 DIADHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC001542281918 1056114303 /nfs/dbraw/zinc/11/43/03/1056114303.db2.gz FJPIXEGEFSFGRD-IBGZPJMESA-N -1 3 317.388 4.271 20 0 DIADHM Cc1cccc(CN(CC(C)C)C(=O)c2ccc(C)cc2[O-])c1 ZINC001583596757 1056114971 /nfs/dbraw/zinc/11/49/71/1056114971.db2.gz LQHBIMNHCLARTI-UHFFFAOYSA-N -1 3 311.425 4.307 20 0 DIADHM CCc1ccc(C(=O)Nc2ccc(CCSC)cc2)c([O-])c1 ZINC001611358426 1056148289 /nfs/dbraw/zinc/14/82/89/1056148289.db2.gz WISLYYWKWNMLAL-UHFFFAOYSA-N -1 3 315.438 4.112 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccccc2F)CC(C)C)c([O-])c1 ZINC001583717840 1056151355 /nfs/dbraw/zinc/15/13/55/1056151355.db2.gz QIXBCYMXWBOSTO-UHFFFAOYSA-N -1 3 315.388 4.138 20 0 DIADHM Cc1ccc2cccc(NC(=O)c3ccc(C)c(C)c3[O-])c2n1 ZINC001611448974 1056161782 /nfs/dbraw/zinc/16/17/82/1056161782.db2.gz QOOUEFYMMLDXDZ-UHFFFAOYSA-N -1 3 306.365 4.118 20 0 DIADHM CCCC[C@H](NC(=O)c1ccccc1[O-])c1ccc(OC)cc1 ZINC001542919247 1056163244 /nfs/dbraw/zinc/16/32/44/1056163244.db2.gz DURSYMJYFDSIEA-KRWDZBQOSA-N -1 3 313.397 4.062 20 0 DIADHM CCCCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(C)(C)C ZINC001543441849 1056222281 /nfs/dbraw/zinc/22/22/81/1056222281.db2.gz LVPZJAATLWZUEO-INIZCTEOSA-N -1 3 307.434 4.126 20 0 DIADHM O=C(NC[C@H]1CCc2ccccc21)c1cc2sccc2c([O-])c1 ZINC001543531822 1056245241 /nfs/dbraw/zinc/24/52/41/1056245241.db2.gz OUNIRGVTXQCYAR-CYBMUJFWSA-N -1 3 323.417 4.067 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001543570576 1056256937 /nfs/dbraw/zinc/25/69/37/1056256937.db2.gz FZEFYLADEPYQLD-LSDHHAIUSA-N -1 3 303.446 4.462 20 0 DIADHM CCc1cccc(C(=O)Nc2cccc(COC(C)C)c2)c1[O-] ZINC001543745009 1056291427 /nfs/dbraw/zinc/29/14/27/1056291427.db2.gz ANCCENIOTIEVFL-UHFFFAOYSA-N -1 3 313.397 4.132 20 0 DIADHM CCc1cccc(C(=O)Nc2nc(C(C)C)c(C)s2)c1[O-] ZINC001584243495 1056295567 /nfs/dbraw/zinc/29/55/67/1056295567.db2.gz HHBMANWPIQOGGP-UHFFFAOYSA-N -1 3 304.415 4.095 20 0 DIADHM CCc1ccc(C(=O)NC(C)(C)CCc2ccccc2)c([O-])c1 ZINC001584598617 1056379403 /nfs/dbraw/zinc/37/94/03/1056379403.db2.gz SCFCLAWRQOHWIK-UHFFFAOYSA-N -1 3 311.425 4.096 20 0 DIADHM Cc1ccc(-c2ccc(CN(CC(=O)[O-])C3CCC3)s2)cc1 ZINC000656100307 1056474061 /nfs/dbraw/zinc/47/40/61/1056474061.db2.gz IWELWUOIXXKXJP-UHFFFAOYSA-N -1 3 315.438 4.163 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)c([O-])c1 ZINC001544658489 1056474763 /nfs/dbraw/zinc/47/47/63/1056474763.db2.gz PKNXBAJHQHQCJY-UHFFFAOYSA-N -1 3 313.397 4.242 20 0 DIADHM CCCOc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC001544760310 1056495030 /nfs/dbraw/zinc/49/50/30/1056495030.db2.gz XRMRIXGMEBLRJK-UHFFFAOYSA-N -1 3 319.788 4.395 20 0 DIADHM Cc1ccccc1[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC001544805938 1056504183 /nfs/dbraw/zinc/50/41/83/1056504183.db2.gz OMEIINAADIDXEF-QGZVFWFLSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1ccc(C(=O)NC2CCC3(CCCCC3)CC2)c([O-])c1 ZINC001616340560 1056637629 /nfs/dbraw/zinc/63/76/29/1056637629.db2.gz PIMDALFNZGSSTO-UHFFFAOYSA-N -1 3 301.430 4.324 20 0 DIADHM [O-]c1ccc(Nc2cc(F)c(OC(F)F)c(F)c2)c(F)c1F ZINC001212449206 1056669253 /nfs/dbraw/zinc/66/92/53/1056669253.db2.gz OOULIZZGROONML-UHFFFAOYSA-N -1 3 323.192 4.294 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240786972 1056698285 /nfs/dbraw/zinc/69/82/85/1056698285.db2.gz DVZJRDGETUIKRS-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM [O-]c1ccc(-c2cncc(-c3nc4ccccc4[nH]3)c2)cc1F ZINC001240786819 1056698375 /nfs/dbraw/zinc/69/83/75/1056698375.db2.gz XBLFHNZQVJFCSY-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CCc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)CC)c1[O-] ZINC001616668840 1056698607 /nfs/dbraw/zinc/69/86/07/1056698607.db2.gz ZEXHDAPGBGTJBW-OAHLLOKOSA-N -1 3 311.425 4.396 20 0 DIADHM [O-]c1ccc(-c2ccc(O[C@H]3CCCCO3)cc2F)cc1F ZINC001240791230 1056701396 /nfs/dbraw/zinc/70/13/96/1056701396.db2.gz VTZVXBMIHPFORS-KRWDZBQOSA-N -1 3 306.308 4.243 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1[O-] ZINC001616961083 1056747175 /nfs/dbraw/zinc/74/71/75/1056747175.db2.gz FJALNIBCVKJCST-NRFANRHFSA-N -1 3 323.436 4.149 20 0 DIADHM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1[O-] ZINC001617092150 1056774969 /nfs/dbraw/zinc/77/49/69/1056774969.db2.gz CJDQKCUQPYELSC-HNNXBMFYSA-N -1 3 317.816 4.105 20 0 DIADHM CCc1cccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[O-] ZINC001586658682 1056775195 /nfs/dbraw/zinc/77/51/95/1056775195.db2.gz KKZFWLCSGQAROB-RDJZCZTQSA-N -1 3 323.436 4.281 20 0 DIADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2ccc(F)c(F)c2)no1 ZINC001212478137 1056777201 /nfs/dbraw/zinc/77/72/01/1056777201.db2.gz WXDNULQQEHZIGE-UHFFFAOYSA-N -1 3 324.233 4.347 20 0 DIADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2cccc(C)c2)n1 ZINC001212479834 1056784693 /nfs/dbraw/zinc/78/46/93/1056784693.db2.gz UUUBSQZZADTZLX-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM CCc1cccc(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c1[O-] ZINC001617185199 1056789790 /nfs/dbraw/zinc/78/97/90/1056789790.db2.gz BUKGATFQUUMFPF-IBGZPJMESA-N -1 3 323.436 4.495 20 0 DIADHM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)cc2[O-])o1 ZINC001586737038 1056795969 /nfs/dbraw/zinc/79/59/69/1056795969.db2.gz RVLKYQVQOQMJNJ-MRXNPFEDSA-N -1 3 313.397 4.360 20 0 DIADHM Cc1cnn(-c2ccccc2F)c1Nc1cc(F)cc(F)c1[O-] ZINC001212484120 1056806525 /nfs/dbraw/zinc/80/65/25/1056806525.db2.gz LCXGQORBANILPZ-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM CCN(CC)Cc1ccc(-c2cc(C(=O)[O-])ccc2C)cc1F ZINC001241004730 1056808660 /nfs/dbraw/zinc/80/86/60/1056808660.db2.gz FRRUBVLEFJRUSB-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM CSc1ccc(Oc2cc(-c3ccccc3[O-])ncn2)cc1 ZINC001241009090 1056813559 /nfs/dbraw/zinc/81/35/59/1056813559.db2.gz ZENPLTOQLGYITJ-UHFFFAOYSA-N -1 3 310.378 4.363 20 0 DIADHM [O-]c1ccccc1-c1ccc(C(F)(F)F)c(C(F)(F)F)n1 ZINC001241008853 1056814450 /nfs/dbraw/zinc/81/44/50/1056814450.db2.gz LKSNCYZWLDXKIM-UHFFFAOYSA-N -1 3 307.193 4.492 20 0 DIADHM Cc1ccc(-c2nccc3c2ncn3Cc2ccccc2)c([O-])c1 ZINC001241036093 1056833994 /nfs/dbraw/zinc/83/39/94/1056833994.db2.gz OQCVSWILGKELTP-UHFFFAOYSA-N -1 3 315.376 4.161 20 0 DIADHM Cc1ccc(-c2nc(-c3cccnc3)nc3sccc32)c([O-])c1 ZINC001241035624 1056834544 /nfs/dbraw/zinc/83/45/44/1056834544.db2.gz CWFHKGADRMTQMT-UHFFFAOYSA-N -1 3 319.389 4.434 20 0 DIADHM Cc1cc(-c2ccc(=S)[n-]n2)ccc1OCc1ccccc1 ZINC001241051186 1056847127 /nfs/dbraw/zinc/84/71/27/1056847127.db2.gz HRVQZRLYBFAWRJ-UHFFFAOYSA-N -1 3 308.406 4.320 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC001587086650 1056857377 /nfs/dbraw/zinc/85/73/77/1056857377.db2.gz VYUDTZYHDLPAHO-UHFFFAOYSA-N -1 3 315.800 4.292 20 0 DIADHM CC(C)(C)[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001617786854 1056883965 /nfs/dbraw/zinc/88/39/65/1056883965.db2.gz UHWSKFBIEIYKSS-INIZCTEOSA-N -1 3 311.425 4.444 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1cc(C(F)(F)F)ccc1F ZINC001241101252 1056894281 /nfs/dbraw/zinc/89/42/81/1056894281.db2.gz LWOQFKVERKVXSF-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1cc(C(F)(F)F)ccc1F ZINC001241101252 1056894285 /nfs/dbraw/zinc/89/42/85/1056894285.db2.gz LWOQFKVERKVXSF-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM CC(C)c1cc([N-]C(=O)c2nc(-c3ccccc3)cs2)no1 ZINC001617896087 1056898692 /nfs/dbraw/zinc/89/86/92/1056898692.db2.gz YQAPWVJORHFHCF-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001618074626 1056920398 /nfs/dbraw/zinc/92/03/98/1056920398.db2.gz FXSJSQRWCYXUDO-ZWKOTPCHSA-N -1 3 317.388 4.140 20 0 DIADHM Fc1cc(OCc2ccccc2)cc(-c2ccc(=S)[n-]n2)c1 ZINC001241159301 1056933926 /nfs/dbraw/zinc/93/39/26/1056933926.db2.gz FENFWCCIUNDMKZ-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM CC(C)(C)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001618299118 1056946396 /nfs/dbraw/zinc/94/63/96/1056946396.db2.gz GGWAALDJJBCRFS-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM CSc1ccc(C(F)(F)F)nc1-c1cc([O-])cc(F)c1 ZINC001241256128 1056983042 /nfs/dbraw/zinc/98/30/42/1056983042.db2.gz NYDRXAZURYMZCV-UHFFFAOYSA-N -1 3 303.280 4.334 20 0 DIADHM [O-]c1cc(F)cc(-c2ncnc3scc(-c4ccco4)c32)c1 ZINC001241261618 1056984744 /nfs/dbraw/zinc/98/47/44/1056984744.db2.gz DJOBSSBKHCDJKS-UHFFFAOYSA-N -1 3 312.325 4.463 20 0 DIADHM Cc1ccc(-c2nc3c(ncnc3-c3cc([O-])cc(F)c3)o2)cc1 ZINC001241261408 1056984866 /nfs/dbraw/zinc/98/48/66/1056984866.db2.gz NWMGCGYTIBWRGA-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM CCOc1ccc(-c2ccc(-c3cc([O-])cc(F)c3)nn2)cc1 ZINC001241260944 1056985144 /nfs/dbraw/zinc/98/51/44/1056985144.db2.gz CUBOVQNDPOITET-UHFFFAOYSA-N -1 3 310.328 4.054 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(-c3cc([O-])cc(F)c3)nc2)cc1 ZINC001241262057 1056985250 /nfs/dbraw/zinc/98/52/50/1056985250.db2.gz IOQORQYANFVSIC-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM [O-]c1cc(F)cc(-c2nc3ccccc3nc2N2CCCCC2)c1 ZINC001241263180 1056986021 /nfs/dbraw/zinc/98/60/21/1056986021.db2.gz ZDFYXKALFPYDSE-UHFFFAOYSA-N -1 3 323.371 4.132 20 0 DIADHM COC(=O)[C@@H](c1ccc(-c2cc([O-])cc(F)c2)cc1)C(C)C ZINC001241271088 1056990077 /nfs/dbraw/zinc/99/00/77/1056990077.db2.gz LMCWULBHYDBQDN-QGZVFWFLSA-N -1 3 302.345 4.111 20 0 DIADHM COC(=O)c1cc2ccc(-c3c(F)ccc([O-])c3F)cc2s1 ZINC001241292741 1056999677 /nfs/dbraw/zinc/99/96/77/1056999677.db2.gz JAVOZGSUCMPRJW-UHFFFAOYSA-N -1 3 320.316 4.339 20 0 DIADHM CSc1ncc2cc(-c3c(F)ccc([O-])c3F)ccc2n1 ZINC001241293367 1057000686 /nfs/dbraw/zinc/00/06/86/1057000686.db2.gz VOHGEHYANALCOQ-UHFFFAOYSA-N -1 3 304.321 4.003 20 0 DIADHM CCOC(=O)[C@@H](CC)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241294134 1057000723 /nfs/dbraw/zinc/00/07/23/1057000723.db2.gz WAFALROHOLFXNL-ZDUSSCGKSA-N -1 3 320.335 4.394 20 0 DIADHM COc1ccc(C(F)(F)F)cc1-c1c(F)ccc([O-])c1F ZINC001241293307 1057001408 /nfs/dbraw/zinc/00/14/08/1057001408.db2.gz RJPQZXWHRODYGV-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001626075051 1057002160 /nfs/dbraw/zinc/00/21/60/1057002160.db2.gz HEKAWLIDYPJJPS-OAHLLOKOSA-N -1 3 323.436 4.386 20 0 DIADHM COC(=O)c1ccc2ccc(-c3c(F)ccc([O-])c3F)cc2c1 ZINC001241295722 1057002218 /nfs/dbraw/zinc/00/22/18/1057002218.db2.gz YTORXNQCNWLANI-UHFFFAOYSA-N -1 3 314.287 4.277 20 0 DIADHM C[C@H]1CCC(C)(C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001626075050 1057002380 /nfs/dbraw/zinc/00/23/80/1057002380.db2.gz HEKAWLIDYPJJPS-HNNXBMFYSA-N -1 3 323.436 4.386 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1[O-] ZINC000673526993 1057013050 /nfs/dbraw/zinc/01/30/50/1057013050.db2.gz YKJISDZMFQCDMO-UHFFFAOYSA-N -1 3 305.333 4.000 20 0 DIADHM c1ccc2c(c1)[nH]c1ccc(-c3cccc(-c4nnn[n-]4)c3)cc12 ZINC001241812919 1057172771 /nfs/dbraw/zinc/17/27/71/1057172771.db2.gz FWQAATNTKLEPBQ-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM c1ccc2c(c1)[nH]c1ccc(-c3cccc(-c4nn[n-]n4)c3)cc12 ZINC001241812919 1057172774 /nfs/dbraw/zinc/17/27/74/1057172774.db2.gz FWQAATNTKLEPBQ-UHFFFAOYSA-N -1 3 311.348 4.168 20 0 DIADHM CCN(CC)Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1F ZINC001241836735 1057183165 /nfs/dbraw/zinc/18/31/65/1057183165.db2.gz AHPADOXQYDDLIG-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM CS[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000172402503 1057257980 /nfs/dbraw/zinc/25/79/80/1057257980.db2.gz URCSTKRVZHSMBT-AWEZNQCLSA-N -1 3 307.802 4.088 20 0 DIADHM [O-]c1ccc(C(F)(F)F)cc1-c1cc(N2CCCCC2)ccn1 ZINC001242131168 1057273583 /nfs/dbraw/zinc/27/35/83/1057273583.db2.gz AMYLSCAVUPTTPL-UHFFFAOYSA-N -1 3 322.330 4.463 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242130820 1057273954 /nfs/dbraw/zinc/27/39/54/1057273954.db2.gz XKUAGTOHLYCXEG-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(C(F)(F)F)ccc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242130820 1057273960 /nfs/dbraw/zinc/27/39/60/1057273960.db2.gz XKUAGTOHLYCXEG-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM [O-]c1ccc(-c2ccc(C3OCCO3)cc2)cc1C(F)(F)F ZINC001242157667 1057283413 /nfs/dbraw/zinc/28/34/13/1057283413.db2.gz LAICRBDIZPMCOM-UHFFFAOYSA-N -1 3 310.271 4.123 20 0 DIADHM CCOC(=O)Cc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242158042 1057283616 /nfs/dbraw/zinc/28/36/16/1057283616.db2.gz PUSZZURZHFOPGZ-UHFFFAOYSA-N -1 3 324.298 4.184 20 0 DIADHM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001242162740 1057284296 /nfs/dbraw/zinc/28/42/96/1057284296.db2.gz QCFLXEZPWCDQET-SNVBAGLBSA-N -1 3 324.298 4.355 20 0 DIADHM [O-]c1ccc(-c2ccnc(OC(F)F)c2)cc1C(F)(F)F ZINC001242163140 1057285404 /nfs/dbraw/zinc/28/54/04/1057285404.db2.gz ZTDPDMDHOUCNDO-UHFFFAOYSA-N -1 3 305.202 4.074 20 0 DIADHM [O-]c1ccc(-c2cncc(OC(F)(F)F)c2)cc1C(F)(F)F ZINC001242166751 1057285422 /nfs/dbraw/zinc/28/54/22/1057285422.db2.gz WBPXIBCJBCWZGQ-UHFFFAOYSA-N -1 3 323.192 4.372 20 0 DIADHM O=C1Nc2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c2C12CC2 ZINC001242166047 1057285776 /nfs/dbraw/zinc/28/57/76/1057285776.db2.gz LMXHRJNTKPHZEJ-UHFFFAOYSA-N -1 3 319.282 4.062 20 0 DIADHM [O-]c1ccc(-c2cc(F)cc3nccnc32)cc1C(F)(F)F ZINC001242166115 1057285844 /nfs/dbraw/zinc/28/58/44/1057285844.db2.gz NWJLVNBENGUASB-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM COc1cc(SC)c(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242168543 1057286012 /nfs/dbraw/zinc/28/60/12/1057286012.db2.gz PVJHRBWSEXSJEJ-UHFFFAOYSA-N -1 3 315.316 4.204 20 0 DIADHM COC(=O)c1cc2c(cccc2-c2ccc(F)cc2[O-])s1 ZINC001242217464 1057297161 /nfs/dbraw/zinc/29/71/61/1057297161.db2.gz BUKJVMCLEPISFW-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CC(C)(C)OC(=O)Cc1ccc(-c2ccc(F)cc2[O-])cc1 ZINC001242218995 1057297879 /nfs/dbraw/zinc/29/78/79/1057297879.db2.gz GQQUNTMULLYWCS-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM COc1cc(-c2ccc(F)cc2[O-])ccc1OC(F)(F)F ZINC001242221480 1057298854 /nfs/dbraw/zinc/29/88/54/1057298854.db2.gz MBVXOYPIYNZJFV-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM O=C(NCc1ccccc1)c1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352511 1057342575 /nfs/dbraw/zinc/34/25/75/1057342575.db2.gz WKMMTPNSIGVMHE-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM CCCc1ccc([C@@H]([N-]c2nnc(C)o2)c2cccs2)cc1 ZINC000553248367 1057530771 /nfs/dbraw/zinc/53/07/71/1057530771.db2.gz QXXIYUPZCZQWQP-MRXNPFEDSA-N -1 3 313.426 4.594 20 0 DIADHM COc1ccc(-c2nnn[n-]2)cc1-c1c(C)ccc2ccccc21 ZINC001242982516 1057535056 /nfs/dbraw/zinc/53/50/56/1057535056.db2.gz INQPJEMDHZMCBK-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc(-c2nn[n-]n2)cc1-c1c(C)ccc2ccccc21 ZINC001242982516 1057535060 /nfs/dbraw/zinc/53/50/60/1057535060.db2.gz INQPJEMDHZMCBK-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM [O-]c1cc(-c2nc(-c3ccncc3)nc3ccccc32)ccc1F ZINC001243046687 1057556826 /nfs/dbraw/zinc/55/68/26/1057556826.db2.gz FJOLJBGZUJQBSY-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM COC(=O)c1cc2ccc(-c3ccc(F)c([O-])c3)cc2s1 ZINC001243049537 1057556901 /nfs/dbraw/zinc/55/69/01/1057556901.db2.gz QAFQEORKRCBFKM-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CCOc1ccc(-c2ccc(-c3ccc(F)c([O-])c3)nn2)cc1 ZINC001243049010 1057557470 /nfs/dbraw/zinc/55/74/70/1057557470.db2.gz JXKAPKBRNYTMTN-UHFFFAOYSA-N -1 3 310.328 4.054 20 0 DIADHM COC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1C(F)(F)F ZINC001243047450 1057557691 /nfs/dbraw/zinc/55/76/91/1057557691.db2.gz CYIUJOLPEGBGIY-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM [O-]c1cc(-c2nc(-c3ccncc3)nc3sccc32)ccc1F ZINC001243050891 1057558273 /nfs/dbraw/zinc/55/82/73/1057558273.db2.gz UUGRWUWLKFUPQJ-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM COC(=O)c1cc(-c2ccccc2)nc(-c2ccc(F)c([O-])c2)c1 ZINC001243053858 1057559938 /nfs/dbraw/zinc/55/99/38/1057559938.db2.gz HJXACQSHILUBIW-UHFFFAOYSA-N -1 3 323.323 4.047 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3ccc(F)c([O-])c3)cc2)CCC1 ZINC001243061550 1057561981 /nfs/dbraw/zinc/56/19/81/1057561981.db2.gz HVHHXTZCGMNFKF-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM CCN(CC)Cc1ccc(-c2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001243180420 1057595244 /nfs/dbraw/zinc/59/52/44/1057595244.db2.gz KLGQBFMVDJFRLC-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM COc1cccc([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000525914467 1057656602 /nfs/dbraw/zinc/65/66/02/1057656602.db2.gz PVCCKDRMNPWDLL-ZDUSSCGKSA-N -1 3 321.376 4.045 20 0 DIADHM C[C@@H](CN(C)C(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000525916990 1057657308 /nfs/dbraw/zinc/65/73/08/1057657308.db2.gz FSJXEODWUBXQPN-HNNXBMFYSA-N -1 3 319.404 4.421 20 0 DIADHM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc([O-])c2ccccc2c1 ZINC000525920221 1057657336 /nfs/dbraw/zinc/65/73/36/1057657336.db2.gz RKWOSBOOOFPSPX-GOSISDBHSA-N -1 3 321.351 4.102 20 0 DIADHM C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC000525920856 1057657554 /nfs/dbraw/zinc/65/75/54/1057657554.db2.gz RDPBRENJLZZFMY-ZDUSSCGKSA-N -1 3 323.367 4.218 20 0 DIADHM CCN(CCc1ccccc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000525916140 1057657618 /nfs/dbraw/zinc/65/76/18/1057657618.db2.gz IOULIIKSCZRBPI-UHFFFAOYSA-N -1 3 319.404 4.250 20 0 DIADHM C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000526924399 1057659844 /nfs/dbraw/zinc/65/98/44/1057659844.db2.gz QNVDVSCLULZCPP-CQSZACIVSA-N -1 3 305.377 4.079 20 0 DIADHM O=C(Nc1cccc2c1OCCC2)c1cc([O-])c2ccccc2c1 ZINC000527166667 1057660891 /nfs/dbraw/zinc/66/08/91/1057660891.db2.gz XWGCLUHFQGAMNA-UHFFFAOYSA-N -1 3 319.360 4.123 20 0 DIADHM O=C(Nc1cccc2cccnc21)c1cc([O-])c2ccccc2c1 ZINC000527445132 1057663753 /nfs/dbraw/zinc/66/37/53/1057663753.db2.gz MZIVMUKPEZRSBT-UHFFFAOYSA-N -1 3 314.344 4.346 20 0 DIADHM CCc1nc(NC(=O)c2cc([O-])c3ccccc3c2)sc1C ZINC000527448525 1057664160 /nfs/dbraw/zinc/66/41/60/1057664160.db2.gz WMDVVAYLVSOUTP-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CCOc1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000166028364 1057667598 /nfs/dbraw/zinc/66/75/98/1057667598.db2.gz QUUATROFVULXIR-UHFFFAOYSA-N -1 3 307.349 4.196 20 0 DIADHM [O-]c1cccc(-c2ncnc3cc(C(F)(F)F)ccc32)c1F ZINC001243541750 1057708458 /nfs/dbraw/zinc/70/84/58/1057708458.db2.gz FFGAVWBYWWWXFR-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1cccc(-c2cnc3cc(C(F)(F)F)ccc3n2)c1F ZINC001243543084 1057708810 /nfs/dbraw/zinc/70/88/10/1057708810.db2.gz NKRQRDGRYDXOEJ-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CC(C)COC(=O)Nc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243544641 1057709122 /nfs/dbraw/zinc/70/91/22/1057709122.db2.gz IPRRSPICVYNSCI-UHFFFAOYSA-N -1 3 303.333 4.403 20 0 DIADHM [O-]c1cccc(-c2nc(N3CCCC3)cc3ccccc32)c1F ZINC001243544230 1057709198 /nfs/dbraw/zinc/70/91/98/1057709198.db2.gz OBXLAEKMAHNAAD-UHFFFAOYSA-N -1 3 308.356 4.347 20 0 DIADHM [O-]c1cccc(-c2nc3ccccc3nc2N2CCCCC2)c1F ZINC001243544442 1057709466 /nfs/dbraw/zinc/70/94/66/1057709466.db2.gz QBXITFXTNQZOSH-UHFFFAOYSA-N -1 3 323.371 4.132 20 0 DIADHM [O-]c1cccc(-c2ccnc(CSc3ccccc3)n2)c1F ZINC001243546482 1057709690 /nfs/dbraw/zinc/70/96/90/1057709690.db2.gz NZHMLEDKAUSROZ-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM COC(=O)C1(c2ccc(-c3cccc([O-])c3F)cc2)CCCC1 ZINC001243547178 1057710426 /nfs/dbraw/zinc/71/04/26/1057710426.db2.gz LMUNGHMCYMULKQ-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM O=C1Cc2ccc(-c3cccc([O-])c3F)cc2N1c1ccccc1 ZINC001243548930 1057710471 /nfs/dbraw/zinc/71/04/71/1057710471.db2.gz LEHWSXVIUXWCPL-UHFFFAOYSA-N -1 3 319.335 4.419 20 0 DIADHM CCOc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1Cl ZINC000564672524 1057718382 /nfs/dbraw/zinc/71/83/82/1057718382.db2.gz VTETZCCGNCAMFR-UHFFFAOYSA-N -1 3 300.745 4.055 20 0 DIADHM O=C(OCc1cnc2ccccc2c1)c1cc(Cl)c(Cl)[n-]1 ZINC000730698477 1057720355 /nfs/dbraw/zinc/72/03/55/1057720355.db2.gz OFLDNWZDGPKQDJ-UHFFFAOYSA-N -1 3 321.163 4.227 20 0 DIADHM [O-]c1cc(C(F)(F)F)ccc1-c1cc(N2CCCC2)ccn1 ZINC001243607044 1057730992 /nfs/dbraw/zinc/73/09/92/1057730992.db2.gz MLHJLJYAHDIJRD-UHFFFAOYSA-N -1 3 308.303 4.073 20 0 DIADHM COc1c(F)cc(F)cc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243607383 1057731158 /nfs/dbraw/zinc/73/11/58/1057731158.db2.gz UWNPVRNNISBGEC-UHFFFAOYSA-N -1 3 304.214 4.365 20 0 DIADHM CCc1cc2c(CSc3cccs3)cc(=O)oc2cc1[O-] ZINC000731836176 1057755979 /nfs/dbraw/zinc/75/59/79/1057755979.db2.gz BJNQBQTYIUBHRI-UHFFFAOYSA-N -1 3 318.419 4.415 20 0 DIADHM COc1ncc(-c2ccc3c(c2)[N-]C(=S)C3)cc1C(F)(F)F ZINC001243746013 1057768773 /nfs/dbraw/zinc/76/87/73/1057768773.db2.gz KGCKQLWWNHTOHJ-UHFFFAOYSA-N -1 3 324.327 4.071 20 0 DIADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000732391502 1057774590 /nfs/dbraw/zinc/77/45/90/1057774590.db2.gz JAOJZRGPQBXIBT-MRVPVSSYSA-N -1 3 312.152 4.012 20 0 DIADHM FC(F)(F)c1cccc(Cl)c1-c1cccc(-c2nnn[n-]2)c1 ZINC001243964855 1057822102 /nfs/dbraw/zinc/82/21/02/1057822102.db2.gz LNIQGPKOTFUBBF-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1cccc(Cl)c1-c1cccc(-c2nn[n-]n2)c1 ZINC001243964855 1057822104 /nfs/dbraw/zinc/82/21/04/1057822104.db2.gz LNIQGPKOTFUBBF-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM [O-]c1cccc(Cl)c1-c1cccnc1OCC(F)(F)F ZINC001244044607 1057847300 /nfs/dbraw/zinc/84/73/00/1057847300.db2.gz ODNMVWLGULEYBY-UHFFFAOYSA-N -1 3 303.667 4.049 20 0 DIADHM Cc1cc(-c2c([O-])cccc2Cl)cnc1C(=O)OC(C)(C)C ZINC001244044088 1057847336 /nfs/dbraw/zinc/84/73/36/1057847336.db2.gz GWHDCGQEOZAXOX-UHFFFAOYSA-N -1 3 319.788 4.371 20 0 DIADHM O=c1c(-c2c([O-])cccc2Cl)cccn1-c1ccccc1F ZINC001244047510 1057849122 /nfs/dbraw/zinc/84/91/22/1057849122.db2.gz IUTHNFQMUNXUCD-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM Fc1ccc(OCc2ccccc2)cc1-c1ccc(=S)[n-]n1 ZINC001244057213 1057852359 /nfs/dbraw/zinc/85/23/59/1057852359.db2.gz CCRHYUHAFCTPFH-UHFFFAOYSA-N -1 3 312.369 4.150 20 0 DIADHM FC(F)(F)Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001244296835 1057925595 /nfs/dbraw/zinc/92/55/95/1057925595.db2.gz VAXCUFQUQLRSAW-UHFFFAOYSA-N -1 3 308.328 4.149 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1cc(C(F)F)ccn1 ZINC001244457100 1057963349 /nfs/dbraw/zinc/96/33/49/1057963349.db2.gz WSFZIYBITJNGMB-UHFFFAOYSA-N -1 3 305.202 4.290 20 0 DIADHM COC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c2cccnc12 ZINC001244469797 1057968083 /nfs/dbraw/zinc/96/80/83/1057968083.db2.gz QUDQUYKJXKZTRW-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1-c1ccc(F)cc1 ZINC001244471008 1057968825 /nfs/dbraw/zinc/96/88/25/1057968825.db2.gz FMILSKZZYKGNSF-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM COc1ncc(C(F)(F)F)cc1-c1ccc(Cl)cc1[O-] ZINC001244473452 1057969240 /nfs/dbraw/zinc/96/92/40/1057969240.db2.gz SMGKIJYLEXLUIU-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM Cc1cc(-c2ccc(Cl)cc2[O-])cnc1C(=O)OC(C)(C)C ZINC001244472593 1057969249 /nfs/dbraw/zinc/96/92/49/1057969249.db2.gz NBVDDRCVRLPCAV-UHFFFAOYSA-N -1 3 319.788 4.371 20 0 DIADHM O=c1cc(-c2ccc(Cl)cc2[O-])ccn1-c1ccccc1F ZINC001244473724 1057969833 /nfs/dbraw/zinc/96/98/33/1057969833.db2.gz YJFVEKQJYHSOFP-UHFFFAOYSA-N -1 3 315.731 4.003 20 0 DIADHM CSc1nc(-c2cc(C)c(F)c([O-])c2)cc(C(F)(F)F)n1 ZINC001244495779 1057975410 /nfs/dbraw/zinc/97/54/10/1057975410.db2.gz JGPBVSITZVDYKC-UHFFFAOYSA-N -1 3 318.295 4.037 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(Cl)cc(F)cc1Cl ZINC001244501268 1057977405 /nfs/dbraw/zinc/97/74/05/1057977405.db2.gz XWCRVPJIOPKMIT-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(Cl)cc(F)cc1Cl ZINC001244501268 1057977406 /nfs/dbraw/zinc/97/74/06/1057977406.db2.gz XWCRVPJIOPKMIT-UHFFFAOYSA-N -1 3 323.158 4.288 20 0 DIADHM COc1cc2ccc(-c3cc(C)c(F)c([O-])c3)nc2cc1OC ZINC001244506133 1057979689 /nfs/dbraw/zinc/97/96/89/1057979689.db2.gz CJZOZNCQVRJIHK-UHFFFAOYSA-N -1 3 313.328 4.072 20 0 DIADHM Cc1cc(-c2ncc3ccc(C(F)(F)F)cc3n2)cc([O-])c1F ZINC001244508084 1057980074 /nfs/dbraw/zinc/98/00/74/1057980074.db2.gz TVPZLGBVPASVQE-UHFFFAOYSA-N -1 3 322.261 4.469 20 0 DIADHM Cc1cc(-c2nccc(-c3c[nH]c4ccccc34)n2)cc([O-])c1F ZINC001244507774 1057980234 /nfs/dbraw/zinc/98/02/34/1057980234.db2.gz YULVNYOKJFVMEF-UHFFFAOYSA-N -1 3 319.339 4.445 20 0 DIADHM Cc1cc(-c2cccc(N3CCCC[C@@H]3C)n2)cc([O-])c1F ZINC001244506530 1057980300 /nfs/dbraw/zinc/98/03/00/1057980300.db2.gz GCUFFRYFUVWSKN-ZDUSSCGKSA-N -1 3 300.377 4.281 20 0 DIADHM Cc1cc(-c2ncc(F)c(Oc3ccccc3)n2)cc([O-])c1F ZINC001244506629 1057980433 /nfs/dbraw/zinc/98/04/33/1057980433.db2.gz HVSAAKPLIOMZRI-UHFFFAOYSA-N -1 3 314.291 4.228 20 0 DIADHM Cc1ccc(-c2ccc(-c3cc(C)c(F)c([O-])c3)nn2)s1 ZINC001244506721 1057980459 /nfs/dbraw/zinc/98/04/59/1057980459.db2.gz INQFAZBWRLPWHS-UHFFFAOYSA-N -1 3 300.358 4.334 20 0 DIADHM Cc1cc(-c2cc(N(C)c3ccccc3)ncn2)cc([O-])c1F ZINC001244508162 1057981054 /nfs/dbraw/zinc/98/10/54/1057981054.db2.gz PCMDWDNSCSPMGY-UHFFFAOYSA-N -1 3 309.344 4.065 20 0 DIADHM Cc1cc(-c2nc(-c3ccccc3)nc(C)c2F)cc([O-])c1F ZINC001244508904 1057981110 /nfs/dbraw/zinc/98/11/10/1057981110.db2.gz UHFBZJIBGPIVIK-UHFFFAOYSA-N -1 3 312.319 4.411 20 0 DIADHM Cc1cc(-c2ccnc(NC(=O)OC(C)(C)C)c2)cc([O-])c1F ZINC001244516617 1057983456 /nfs/dbraw/zinc/98/34/56/1057983456.db2.gz YLZINBPXQVLOFS-UHFFFAOYSA-N -1 3 318.348 4.249 20 0 DIADHM Cc1cc(-c2ccnc(C3(C(F)(F)F)CC3)c2)cc([O-])c1F ZINC001244521670 1057984183 /nfs/dbraw/zinc/98/41/83/1057984183.db2.gz WGQRBJGWTIMGSL-UHFFFAOYSA-N -1 3 311.278 4.496 20 0 DIADHM Cc1cc(-c2ccc(O[C@H]3CCCCO3)cc2)cc([O-])c1F ZINC001244520871 1057984620 /nfs/dbraw/zinc/98/46/20/1057984620.db2.gz NCPLHQIOEBQWLN-KRWDZBQOSA-N -1 3 302.345 4.412 20 0 DIADHM Cc1cc(-c2ccc3c(c2)N(C)C(=O)CC3(C)C)cc([O-])c1F ZINC001244525401 1057985299 /nfs/dbraw/zinc/98/52/99/1057985299.db2.gz NZHUQNLNOBNBPI-UHFFFAOYSA-N -1 3 313.372 4.151 20 0 DIADHM CCOC(=O)CCc1ccc(-c2cc(C)c(F)c([O-])c2)c(F)c1 ZINC001244526052 1057986126 /nfs/dbraw/zinc/98/61/26/1057986126.db2.gz ZFMOLSMRRDMENN-UHFFFAOYSA-N -1 3 320.335 4.142 20 0 DIADHM Cc1cc(-c2ccccc2S(=O)(=O)C(C)C)cc(Cl)c1[O-] ZINC001244536974 1057988810 /nfs/dbraw/zinc/98/88/10/1057988810.db2.gz CZOJTODJRRKVCA-UHFFFAOYSA-N -1 3 324.829 4.203 20 0 DIADHM Cc1cc(-c2ccc(N3CCCCC3)nc2)cc(Cl)c1[O-] ZINC001244538828 1057989653 /nfs/dbraw/zinc/98/96/53/1057989653.db2.gz XLGHCNZXPRZBRE-UHFFFAOYSA-N -1 3 302.805 4.406 20 0 DIADHM COC(=O)c1cc2cccc(-c3cc(C)c([O-])c(Cl)c3)c2[nH]1 ZINC001244537712 1057989950 /nfs/dbraw/zinc/98/99/50/1057989950.db2.gz OXHQVRRACYCKHM-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM COc1ncc(-c2cc(C)c([O-])c(Cl)c2)cc1C(F)(F)F ZINC001244537708 1057990045 /nfs/dbraw/zinc/99/00/45/1057990045.db2.gz OVMQBQUUGWHXPR-UHFFFAOYSA-N -1 3 317.694 4.443 20 0 DIADHM [O-]c1ccc(Cl)c(-c2ccc(Cn3ccnc3)cc2)c1F ZINC001244542806 1057992180 /nfs/dbraw/zinc/99/21/80/1057992180.db2.gz OCGZJRQJWUVCSF-UHFFFAOYSA-N -1 3 302.736 4.097 20 0 DIADHM Cc1cc(-c2ccc(F)c(C3OCCO3)c2)cc(Cl)c1[O-] ZINC001244546037 1057992783 /nfs/dbraw/zinc/99/27/83/1057992783.db2.gz DAJZLBZUPVLUNJ-UHFFFAOYSA-N -1 3 308.736 4.206 20 0 DIADHM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)cc2cc[nH]c21 ZINC001244545923 1057992861 /nfs/dbraw/zinc/99/28/61/1057992861.db2.gz ATKSAKVYJNPZKS-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM Cc1cc(-c2ccc3nnc(C(C)C)n3c2)cc(Cl)c1[O-] ZINC001244550324 1057993798 /nfs/dbraw/zinc/99/37/98/1057993798.db2.gz AIBVMDYDWHEJHK-UHFFFAOYSA-N -1 3 301.777 4.187 20 0 DIADHM Cc1cc(-c2cccc3c2C(C)(C)C(=O)N3)cc(Cl)c1[O-] ZINC001244551303 1057993803 /nfs/dbraw/zinc/99/38/03/1057993803.db2.gz XINGMEKXQOCROR-UHFFFAOYSA-N -1 3 301.773 4.251 20 0 DIADHM COC(=O)c1c[nH]c2cc(-c3cc(C)c([O-])c(Cl)c3)ccc21 ZINC001244550329 1057993836 /nfs/dbraw/zinc/99/38/36/1057993836.db2.gz APSYBTIBQXHOEZ-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM COc1cc(OC)c(-c2cc(C)c([O-])c(Cl)c2)cc1OC ZINC001244550384 1057993854 /nfs/dbraw/zinc/99/38/54/1057993854.db2.gz DBLUHPYUCREVHQ-UHFFFAOYSA-N -1 3 308.761 4.047 20 0 DIADHM CC(=O)Oc1c[nH]c2cc(-c3cc(C)c([O-])c(Cl)c3)ccc12 ZINC001244550608 1057993871 /nfs/dbraw/zinc/99/38/71/1057993871.db2.gz GJQTZPROCSCJPM-UHFFFAOYSA-N -1 3 315.756 4.428 20 0 DIADHM Cc1cc(-c2ccc3c(c2)NC(=O)C3(C)C)cc(Cl)c1[O-] ZINC001244554691 1057994323 /nfs/dbraw/zinc/99/43/23/1057994323.db2.gz MISJUVHCKRVLLO-UHFFFAOYSA-N -1 3 301.773 4.251 20 0 DIADHM COc1ccc(-c2cc(C)c([O-])c(Cl)c2)c(OC)c1OC ZINC001244554802 1057994551 /nfs/dbraw/zinc/99/45/51/1057994551.db2.gz OLDBPBRDQZAKOC-UHFFFAOYSA-N -1 3 308.761 4.047 20 0 DIADHM CSc1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC001244741162 1058039618 /nfs/dbraw/zinc/03/96/18/1058039618.db2.gz YWWMFDXWMTXLQR-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM CSc1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC001244741162 1058039620 /nfs/dbraw/zinc/03/96/20/1058039620.db2.gz YWWMFDXWMTXLQR-UHFFFAOYSA-N -1 3 320.780 4.048 20 0 DIADHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(C2CCCC2)c1 ZINC001244988846 1058087491 /nfs/dbraw/zinc/08/74/91/1058087491.db2.gz OUOWLDKGGFLASS-UHFFFAOYSA-N -1 3 320.396 4.200 20 0 DIADHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(C2CCCC2)c1 ZINC001244988846 1058087494 /nfs/dbraw/zinc/08/74/94/1058087494.db2.gz OUOWLDKGGFLASS-UHFFFAOYSA-N -1 3 320.396 4.200 20 0 DIADHM COc1cc2ccnc(-c3ccc([O-])cc3Cl)c2cc1OC ZINC001245077512 1058107190 /nfs/dbraw/zinc/10/71/90/1058107190.db2.gz AHCULPCHMSPAAX-UHFFFAOYSA-N -1 3 315.756 4.278 20 0 DIADHM COc1cc2ccnc(-c3ccc([O-])cc3Cl)c2cc1F ZINC001245078772 1058107541 /nfs/dbraw/zinc/10/75/41/1058107541.db2.gz GLMLKGNZNAHOBW-UHFFFAOYSA-N -1 3 303.720 4.409 20 0 DIADHM [O-]c1ccc(-c2ncc(F)c(-c3ccsc3)n2)c(Cl)c1 ZINC001245078749 1058107689 /nfs/dbraw/zinc/10/76/89/1058107689.db2.gz FSXGQGMDCHCPBS-UHFFFAOYSA-N -1 3 306.749 4.370 20 0 DIADHM [O-]c1ccc(-c2ncc3c(n2)-c2ccccc2OC3)c(Cl)c1 ZINC001245078915 1058107773 /nfs/dbraw/zinc/10/77/73/1058107773.db2.gz NFJSBEQSCQQFAM-UHFFFAOYSA-N -1 3 310.740 4.062 20 0 DIADHM CC1(C)CCCN(c2ccnc(-c3ccc([O-])cc3Cl)n2)C1 ZINC001245078494 1058107852 /nfs/dbraw/zinc/10/78/52/1058107852.db2.gz LBZHGYCUHVMXSE-UHFFFAOYSA-N -1 3 317.820 4.129 20 0 DIADHM C[C@H]1CCCCN1c1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245079129 1058108005 /nfs/dbraw/zinc/10/80/05/1058108005.db2.gz MIFNKROBLRMAKR-LBPRGKRZSA-N -1 3 302.805 4.486 20 0 DIADHM [O-]c1ccc(-c2cc3c(nn2)-c2ccccc2OC3)c(Cl)c1 ZINC001245080680 1058108420 /nfs/dbraw/zinc/10/84/20/1058108420.db2.gz UVZSXIYPPYUMAP-UHFFFAOYSA-N -1 3 310.740 4.062 20 0 DIADHM CC(C)(C)OC(=O)c1ccnc(-c2ccc([O-])cc2Cl)c1 ZINC001245082093 1058108546 /nfs/dbraw/zinc/10/85/46/1058108546.db2.gz SMWPTEQJXIROSX-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM Cc1ccc(-c2ccc(C(C)C)nc2Cl)cc1-c1nnn[n-]1 ZINC001245103543 1058114281 /nfs/dbraw/zinc/11/42/81/1058114281.db2.gz HFUIUOMZVUXKRC-UHFFFAOYSA-N -1 3 313.792 4.014 20 0 DIADHM Cc1ccc(-c2ccc(C(C)C)nc2Cl)cc1-c1nn[n-]n1 ZINC001245103543 1058114282 /nfs/dbraw/zinc/11/42/82/1058114282.db2.gz HFUIUOMZVUXKRC-UHFFFAOYSA-N -1 3 313.792 4.014 20 0 DIADHM Cc1c(C(=O)[O-])cccc1-c1ccc(F)c(CN2CCCC2)c1 ZINC001245304478 1058143153 /nfs/dbraw/zinc/14/31/53/1058143153.db2.gz VHOQRSDLDCKMFO-UHFFFAOYSA-N -1 3 313.372 4.095 20 0 DIADHM CCN(CC)Cc1cc(-c2cccc(C(=O)[O-])c2C)ccc1F ZINC001245303827 1058143191 /nfs/dbraw/zinc/14/31/91/1058143191.db2.gz OMAXRPFFOMYIBN-UHFFFAOYSA-N -1 3 315.388 4.341 20 0 DIADHM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC001545245041 1058188954 /nfs/dbraw/zinc/18/89/54/1058188954.db2.gz IOSYVCPJAPCTKU-HUUCEWRRSA-N -1 3 321.486 4.310 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)cc1-c1c([O-])cccc1F ZINC001245656787 1058313986 /nfs/dbraw/zinc/31/39/86/1058313986.db2.gz NVHZQQYWQMXHHP-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CSc1ccc(F)c(C)c1-c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001245758056 1058440718 /nfs/dbraw/zinc/44/07/18/1058440718.db2.gz MEISKMVUHJZLES-UHFFFAOYSA-N -1 3 314.389 4.012 20 0 DIADHM CSc1ccc(F)c(C)c1-c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001245758056 1058440747 /nfs/dbraw/zinc/44/07/47/1058440747.db2.gz MEISKMVUHJZLES-UHFFFAOYSA-N -1 3 314.389 4.012 20 0 DIADHM COc1cc(-c2ccc(=S)[n-]n2)ccc1Oc1ccccc1 ZINC001245819012 1058507465 /nfs/dbraw/zinc/50/74/65/1058507465.db2.gz ANPRMUCPRKHGIH-UHFFFAOYSA-N -1 3 310.378 4.233 20 0 DIADHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])c1nc(C2CC2)cs1 ZINC001519939495 1058510600 /nfs/dbraw/zinc/51/06/00/1058510600.db2.gz MEPSEZLIFZMOJS-MRVPVSSYSA-N -1 3 323.801 4.298 20 0 DIADHM COc1ccc(/C(C)=C\C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081874 1058541453 /nfs/dbraw/zinc/54/14/53/1058541453.db2.gz OXQPBHBNORKHLG-LUAWRHEFSA-N -1 3 317.772 4.096 20 0 DIADHM O=C(/C=C\c1ccc(Cl)s1)Nc1ccc(Cl)cc1[O-] ZINC001556081941 1058541844 /nfs/dbraw/zinc/54/18/44/1058541844.db2.gz SBRWLTOGSXFMEF-UTCJRWHESA-N -1 3 314.193 4.412 20 0 DIADHM CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC001556082192 1058542524 /nfs/dbraw/zinc/54/25/24/1058542524.db2.gz DRBAUNPYEWDBLM-IZZDOVSWSA-N -1 3 313.372 4.481 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])c3ccccc3c2)CC(C)(C)C1 ZINC001556107766 1058545441 /nfs/dbraw/zinc/54/54/41/1058545441.db2.gz ZGHWCUCIXFXCNH-UHFFFAOYSA-N -1 3 311.425 4.444 20 0 DIADHM CCOc1nccc(-c2ccc3c(c2)[N-]C(=S)C3)c1Cl ZINC001245850677 1058556150 /nfs/dbraw/zinc/55/61/50/1058556150.db2.gz ZTUQDVOLWVHFRZ-UHFFFAOYSA-N -1 3 304.802 4.096 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001556254918 1058569512 /nfs/dbraw/zinc/56/95/12/1058569512.db2.gz HETCWBWLAXPVLG-ROUUACIJSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1c2occ(CC(=O)[N-]OC3CCCCC3)c2ccc1Cl ZINC001556299845 1058576496 /nfs/dbraw/zinc/57/64/96/1058576496.db2.gz AMLDNBGKKGKOFX-UHFFFAOYSA-N -1 3 321.804 4.318 20 0 DIADHM Cc1ccc(C(=O)Nc2ccccc2N(C)C(C)C)c([O-])c1C ZINC001556317804 1058577791 /nfs/dbraw/zinc/57/77/91/1058577791.db2.gz NMURPYVKBCBBGT-UHFFFAOYSA-N -1 3 312.413 4.106 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CC1(CSc2ccccc2)CC1 ZINC001556803625 1058644372 /nfs/dbraw/zinc/64/43/72/1058644372.db2.gz HBTIMRLDUOWDAU-CQSZACIVSA-N -1 3 307.459 4.043 20 0 DIADHM CC[C@@H](C)CO[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001556803944 1058645800 /nfs/dbraw/zinc/64/58/00/1058645800.db2.gz OSSUQEIZQKCKBS-OAHLLOKOSA-N -1 3 321.461 4.237 20 0 DIADHM CCCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC001556806362 1058645841 /nfs/dbraw/zinc/64/58/41/1058645841.db2.gz JXKOBNNGOUDZRD-LSDHHAIUSA-N -1 3 319.445 4.222 20 0 DIADHM COc1cccc(C(=O)N(CC(C)C)c2ccc(C)cc2)c1[O-] ZINC001557079770 1058694694 /nfs/dbraw/zinc/69/46/94/1058694694.db2.gz IJYOQFUHMOBLME-UHFFFAOYSA-N -1 3 313.397 4.012 20 0 DIADHM CCc1nc2ccc(NC(=O)c3cccc(C)c3[O-])cc2s1 ZINC001557186860 1058714119 /nfs/dbraw/zinc/71/41/19/1058714119.db2.gz XMZAHYMUMCPGAD-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM CCCN(Cc1ccccc1F)C(=O)c1cc([O-])ccc1Cl ZINC001557514851 1058761691 /nfs/dbraw/zinc/76/16/91/1058761691.db2.gz HNXXGSSMOHETCH-UHFFFAOYSA-N -1 3 321.779 4.237 20 0 DIADHM C/C=C\C[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001557792975 1058794641 /nfs/dbraw/zinc/79/46/41/1058794641.db2.gz QZONYYXUIJQQLJ-ZRMMWKCHSA-N -1 3 315.438 4.425 20 0 DIADHM Cc1ccc2cnccc2c1NC(=O)c1cc([O-])ccc1Cl ZINC001558886883 1058917980 /nfs/dbraw/zinc/91/79/80/1058917980.db2.gz BWAMLYUHHAFJBQ-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cc2c(ccnc2Cl)o1 ZINC001530677886 1059113652 /nfs/dbraw/zinc/11/36/52/1059113652.db2.gz KEQMXEQYJPVHHC-UHFFFAOYSA-N -1 3 308.671 4.012 20 0 DIADHM CCc1ccc(NC(=S)Nc2c([O-])cccc2Cl)cc1 ZINC001247338879 1059385623 /nfs/dbraw/zinc/38/56/23/1059385623.db2.gz HWMNBAGEJRVDNP-UHFFFAOYSA-N -1 3 306.818 4.417 20 0 DIADHM CC(C)CCc1nnc([N-]C(=O)c2cc3occc3s2)s1 ZINC001532351288 1059600751 /nfs/dbraw/zinc/60/07/51/1059600751.db2.gz RMOMRZHIFWNHFB-UHFFFAOYSA-N -1 3 321.427 4.187 20 0 DIADHM CCc1ccc(N(Cc2cc(=O)[n-]c(C3CC3)n2)C(C)C)cc1 ZINC001559886586 1059706985 /nfs/dbraw/zinc/70/69/85/1059706985.db2.gz PODZPCVEGOKLOU-UHFFFAOYSA-N -1 3 311.429 4.037 20 0 DIADHM Cc1cc(-c2noc(Cc3ccc([O-])cc3F)n2)ccc1Cl ZINC001248141929 1059737747 /nfs/dbraw/zinc/73/77/47/1059737747.db2.gz HKGRHBDESYWUQK-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1cc(Cl)cc(-c2noc(Cc3ccc([O-])cc3F)n2)c1 ZINC001248141407 1059737916 /nfs/dbraw/zinc/73/79/16/1059737916.db2.gz AWHLPAGNZSLGAP-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1cc(Cl)ccc1NC(=S)Nc1ccc([O-])c(F)c1 ZINC001248411763 1059817951 /nfs/dbraw/zinc/81/79/51/1059817951.db2.gz DIJNZRMHANVQLI-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM Cc1cccc2[nH]c(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc21 ZINC001248450600 1059837776 /nfs/dbraw/zinc/83/77/76/1059837776.db2.gz SALMEIJGSQZLDC-UHFFFAOYSA-N -1 3 304.353 4.111 20 0 DIADHM Cc1nc2c(cccc2[N-]C(=O)c2cc(-c3ccccc3)no2)o1 ZINC001525886230 1060066825 /nfs/dbraw/zinc/06/68/25/1060066825.db2.gz SBFSXSCJODFCCZ-UHFFFAOYSA-N -1 3 319.320 4.044 20 0 DIADHM O=C([N-]c1nc(-c2ccccc2)ns1)c1cscc1Cl ZINC001534058270 1060122856 /nfs/dbraw/zinc/12/28/56/1060122856.db2.gz NGUSCZKQJPVWKL-UHFFFAOYSA-N -1 3 321.814 4.172 20 0 DIADHM O=C([O-])c1c(F)ccc(CN2CC[C@@H](C3CCCCC3)C2)c1F ZINC001249775509 1060391560 /nfs/dbraw/zinc/39/15/60/1060391560.db2.gz AHLWDIRIOZSSRS-CYBMUJFWSA-N -1 3 323.383 4.065 20 0 DIADHM Cc1ccc2[nH]c(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2c1 ZINC001249852492 1060422467 /nfs/dbraw/zinc/42/24/67/1060422467.db2.gz YCEZKMNSCRDVTL-UHFFFAOYSA-N -1 3 304.353 4.111 20 0 DIADHM COc1ccc2[nH]c(Nc3nc4c(cccc4[O-])s3)cc2c1 ZINC001249880279 1060442043 /nfs/dbraw/zinc/44/20/43/1060442043.db2.gz LEUDORVFMZNTJY-UHFFFAOYSA-N -1 3 311.366 4.235 20 0 DIADHM CC1(C)CN(Cc2c(F)ccc([O-])c2F)[C@@H]1c1ccccc1 ZINC001560658695 1060484148 /nfs/dbraw/zinc/48/41/48/1060484148.db2.gz HZYQDSGQHZWPQV-QGZVFWFLSA-N -1 3 303.352 4.254 20 0 DIADHM [O-]c1cc(F)c(Nc2ccnc(C(F)(F)F)c2)cc1Cl ZINC001250020082 1060542774 /nfs/dbraw/zinc/54/27/74/1060542774.db2.gz CTLLEFHEXYJGRT-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM [O-]c1cc(F)c(Nc2cnc3cccc(O)c3c2)cc1Cl ZINC001250023488 1060546754 /nfs/dbraw/zinc/54/67/54/1060546754.db2.gz LICOUNNWEVSORS-UHFFFAOYSA-N -1 3 304.708 4.182 20 0 DIADHM CC(C)Oc1cc(F)c([N-]c2nonc2C2CC2)cc1Cl ZINC001250070450 1060585280 /nfs/dbraw/zinc/58/52/80/1060585280.db2.gz PRGMJUUPTKXFCI-UHFFFAOYSA-N -1 3 311.744 4.270 20 0 DIADHM CC1(C)CN(Cc2ccc([O-])c(F)c2)c2cccc(Cl)c21 ZINC001560746726 1060613860 /nfs/dbraw/zinc/61/38/60/1060613860.db2.gz MZZRYALPIANEEV-UHFFFAOYSA-N -1 3 305.780 4.483 20 0 DIADHM COc1c(Cl)ccc(F)c1Nc1cc(F)cc(F)c1[O-] ZINC001250107363 1060616053 /nfs/dbraw/zinc/61/60/53/1060616053.db2.gz ROGWTUXVNSYCTN-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM O=c1cc(Nc2ccc(Cl)c(F)c2F)n(C2CCCC2)[n-]1 ZINC001250109753 1060619027 /nfs/dbraw/zinc/61/90/27/1060619027.db2.gz RKROTQMXKLHCQY-UHFFFAOYSA-N -1 3 313.735 4.379 20 0 DIADHM CSc1cnc(F)c([N-]c2snnc2-c2ccccc2)c1 ZINC001250137715 1060640481 /nfs/dbraw/zinc/64/04/81/1060640481.db2.gz HIHNOMDODNJLJI-UHFFFAOYSA-N -1 3 318.402 4.205 20 0 DIADHM C[C@@H]1C[C@@H](c2ccccc2)N(Cc2c(F)ccc([O-])c2F)C1 ZINC001560821443 1060679453 /nfs/dbraw/zinc/67/94/53/1060679453.db2.gz UGQLZAVUQZWYNM-WBMJQRKESA-N -1 3 303.352 4.254 20 0 DIADHM CCN(Cc1occc1C)Cc1cccc([O-])c1Br ZINC001560891521 1060752801 /nfs/dbraw/zinc/75/28/01/1060752801.db2.gz MXMZUADDHDQMSB-UHFFFAOYSA-N -1 3 324.218 4.078 20 0 DIADHM CCN(Cc1cc([O-])c(Cl)c(F)c1F)C1CCCCC1 ZINC001250386942 1060792157 /nfs/dbraw/zinc/79/21/57/1060792157.db2.gz DIWGVRXWZQJJFO-UHFFFAOYSA-N -1 3 303.780 4.478 20 0 DIADHM [O-]c1ccc(CNCc2ccc(C(F)(F)F)s2)c(F)c1F ZINC001560993850 1060854179 /nfs/dbraw/zinc/85/41/79/1060854179.db2.gz QASZBUOYEIVZJP-UHFFFAOYSA-N -1 3 323.286 4.041 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2cc(C(F)F)ccc2[n-]1 ZINC001250645522 1060986411 /nfs/dbraw/zinc/98/64/11/1060986411.db2.gz SHHANENJUXICGA-UHFFFAOYSA-N -1 3 311.291 4.421 20 0 DIADHM O=c1[nH]c2ccccc2cc1-c1nc2ccc(C(F)F)cc2[n-]1 ZINC001250645522 1060986435 /nfs/dbraw/zinc/98/64/35/1060986435.db2.gz SHHANENJUXICGA-UHFFFAOYSA-N -1 3 311.291 4.421 20 0 DIADHM [O-]c1cccc(Br)c1-c1nc2c(cccc2Cl)[nH]1 ZINC001250843471 1061091132 /nfs/dbraw/zinc/09/11/32/1061091132.db2.gz KNIJIVDBTVYGLB-UHFFFAOYSA-N -1 3 323.577 4.351 20 0 DIADHM Cc1cc2nc(-c3c([O-])cccc3Br)[nH]c2cc1C ZINC001250843754 1061091964 /nfs/dbraw/zinc/09/19/64/1061091964.db2.gz PAQRRFDVIICOQL-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM [O-]c1ccc(-c2nc3c(cc(F)cc3C(F)(F)F)[nH]2)c(F)c1 ZINC001250845711 1061092060 /nfs/dbraw/zinc/09/20/60/1061092060.db2.gz ISAAGVQVVZLLBN-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CC[C@H](C)n1c2ccc(Cl)cc2nc1-c1ccncc1[O-] ZINC001250858105 1061095978 /nfs/dbraw/zinc/09/59/78/1061095978.db2.gz QCGHRQDBFKGOTR-JTQLQIEISA-N -1 3 301.777 4.428 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc3c([nH]2)c(F)c(F)c(F)c3F)c1 ZINC001250907036 1061119835 /nfs/dbraw/zinc/11/98/35/1061119835.db2.gz XASQKCKVQHGDJZ-UHFFFAOYSA-N -1 3 316.641 4.145 20 0 DIADHM Cc1cc([O-])c(-c2nc3c(cc(F)c(F)c3F)[nH]2)cc1Cl ZINC001251048364 1061199840 /nfs/dbraw/zinc/19/98/40/1061199840.db2.gz PIMQXLKWIQBRCX-UHFFFAOYSA-N -1 3 312.678 4.315 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCC2(F)F)c([O-])c1 ZINC001455217874 1061214571 /nfs/dbraw/zinc/21/45/71/1061214571.db2.gz XLMOBMDPTYRDAH-ZDUSSCGKSA-N -1 3 311.372 4.071 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccsc3[C@H]2C)c([O-])c1 ZINC001455294365 1061219269 /nfs/dbraw/zinc/21/92/69/1061219269.db2.gz UXTSYYJPMXJSSW-GFCCVEGCSA-N -1 3 315.438 4.337 20 0 DIADHM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]Oc1ccccc1F ZINC001455482518 1061224587 /nfs/dbraw/zinc/22/45/87/1061224587.db2.gz RWIRTANKEXFZRT-KBPBESRZSA-N -1 3 313.372 4.225 20 0 DIADHM COc1cc([O-])c(-c2nc3c([nH]2)c(C)ccc3F)cc1Cl ZINC001251083173 1061226870 /nfs/dbraw/zinc/22/68/70/1061226870.db2.gz QHHDDLANEXLFCP-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM [O-]c1cc(O)c(-c2nc3cc(C(F)F)ccc3[nH]2)cc1Cl ZINC001251083017 1061229418 /nfs/dbraw/zinc/22/94/18/1061229418.db2.gz MIBARTJCVDTRHJ-UHFFFAOYSA-N -1 3 310.687 4.232 20 0 DIADHM COc1cc([O-])c(-c2nc3cc4c(cc3[nH]2)CCC4)cc1Cl ZINC001251083998 1061229463 /nfs/dbraw/zinc/22/94/63/1061229463.db2.gz ZQQAHPFMQXGBJB-UHFFFAOYSA-N -1 3 314.772 4.086 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3nc(C)cc(C)c3c2)c1[O-] ZINC001455806667 1061233991 /nfs/dbraw/zinc/23/39/91/1061233991.db2.gz PAJOKMXXRPLKHR-UHFFFAOYSA-N -1 3 320.392 4.372 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC001456088780 1061266635 /nfs/dbraw/zinc/26/66/35/1061266635.db2.gz YIVVIXCLYNBGHM-DNVCBOLYSA-N -1 3 323.436 4.363 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC001456088784 1061267868 /nfs/dbraw/zinc/26/78/68/1061267868.db2.gz YIVVIXCLYNBGHM-KXBFYZLASA-N -1 3 323.436 4.363 20 0 DIADHM COc1cc2[nH]c(-c3cccc([O-])c3Cl)nc2cc1Cl ZINC001251203863 1061270151 /nfs/dbraw/zinc/27/01/51/1061270151.db2.gz SFYDSPHPBHWRPZ-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM [O-]c1cccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1Cl ZINC001251204151 1061270294 /nfs/dbraw/zinc/27/02/94/1061270294.db2.gz YAJZDLBKSZJQBF-UHFFFAOYSA-N -1 3 313.788 4.189 20 0 DIADHM Cc1cc2[nH]c(-c3cccc([O-])c3F)nc2cc1C(F)(F)F ZINC001251255796 1061290699 /nfs/dbraw/zinc/29/06/99/1061290699.db2.gz ZQRNTOSXXBELSO-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM COc1ccc(-c2nc3c([nH]2)c(C)ccc3F)c(Cl)c1[O-] ZINC001251338917 1061320890 /nfs/dbraw/zinc/32/08/90/1061320890.db2.gz KHHYSHWBWXXXDH-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM CN(C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3[O-])nc2c1 ZINC001251349101 1061329193 /nfs/dbraw/zinc/32/91/93/1061329193.db2.gz JYPXORJUOLYJLK-UHFFFAOYSA-N -1 3 321.302 4.020 20 0 DIADHM CC[C@H]1CCCc2sc(NC(=O)c3ccc(C)cc3[O-])nc21 ZINC001456719319 1061360448 /nfs/dbraw/zinc/36/04/48/1061360448.db2.gz HYOLLKNMEFWTOL-NSHDSACASA-N -1 3 316.426 4.239 20 0 DIADHM [O-]c1ccc(Cl)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251532010 1061391078 /nfs/dbraw/zinc/39/10/78/1061391078.db2.gz UGQACAVHYBMSSS-UHFFFAOYSA-N -1 3 321.163 4.177 20 0 DIADHM CC(C)(C)n1c2ccc(F)cc2nc1-c1cc([O-])cc(F)c1 ZINC001251570039 1061403752 /nfs/dbraw/zinc/40/37/52/1061403752.db2.gz QKTUDTLGSKYSCC-UHFFFAOYSA-N -1 3 302.324 4.442 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3cnc(-c4ccccc4)o3)[n-]c21 ZINC001251586569 1061408172 /nfs/dbraw/zinc/40/81/72/1061408172.db2.gz GSBQPXBGWCOSST-UHFFFAOYSA-N -1 3 315.254 4.302 20 0 DIADHM Fc1cc(F)c(F)c2[n-]c(-c3cnc(-c4ccccc4)o3)nc21 ZINC001251586569 1061408178 /nfs/dbraw/zinc/40/81/78/1061408178.db2.gz GSBQPXBGWCOSST-UHFFFAOYSA-N -1 3 315.254 4.302 20 0 DIADHM Cc1cc([O-])c(-c2nc3cc(F)ccc3[nH]2)cc1Br ZINC001251644338 1061429456 /nfs/dbraw/zinc/42/94/56/1061429456.db2.gz ICHCGRMNPRHUTE-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM Cc1ccc2[nH]c(-c3cc(Br)c(C)cc3[O-])nc2c1 ZINC001251644518 1061430260 /nfs/dbraw/zinc/43/02/60/1061430260.db2.gz RFGMILDDYUGOOX-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM CCCc1ccccc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001457505077 1061465665 /nfs/dbraw/zinc/46/56/65/1061465665.db2.gz JGZXVJHVTIFNRB-UHFFFAOYSA-N -1 3 320.392 4.041 20 0 DIADHM Cc1cccc2c1[n-]cc(C(=O)Nc1ccccc1C(C)C)c2=O ZINC001457563965 1061469652 /nfs/dbraw/zinc/46/96/52/1061469652.db2.gz CKMCTMGOOLERBZ-UHFFFAOYSA-N -1 3 320.392 4.212 20 0 DIADHM CCc1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC001464073875 1061554571 /nfs/dbraw/zinc/55/45/71/1061554571.db2.gz PEXDCUGVBPIRFV-GOSISDBHSA-N -1 3 311.425 4.124 20 0 DIADHM CCC(C)(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001464227719 1061567074 /nfs/dbraw/zinc/56/70/74/1061567074.db2.gz MURSYUOUDUNZMD-UHFFFAOYSA-N -1 3 324.273 4.098 20 0 DIADHM [O-]c1c(-c2nnc(-c3ccc(F)cc3)o2)cc(O)c2ccccc12 ZINC001252170699 1061603426 /nfs/dbraw/zinc/60/34/26/1061603426.db2.gz PZZFJDKJPGVRKR-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c([O-])c1 ZINC001464591746 1061611072 /nfs/dbraw/zinc/61/10/72/1061611072.db2.gz XGFAHFJMKDFXMX-HNNXBMFYSA-N -1 3 311.425 4.187 20 0 DIADHM Cc1cccc(C2(CNC(=O)c3ccc(C)cc3[O-])CCCC2)c1 ZINC001464659799 1061619688 /nfs/dbraw/zinc/61/96/88/1061619688.db2.gz DHDZCMFCDAJFRX-UHFFFAOYSA-N -1 3 323.436 4.251 20 0 DIADHM CCCCOc1ccc(-c2nnc(-c3ccccc3[O-])o2)cc1 ZINC001252374660 1061639768 /nfs/dbraw/zinc/63/97/68/1061639768.db2.gz KCTRUPFDEDPRGJ-UHFFFAOYSA-N -1 3 310.353 4.288 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1[O-] ZINC001464940195 1061654428 /nfs/dbraw/zinc/65/44/28/1061654428.db2.gz KBJOUWCKLWJCSQ-SFHVURJKSA-N -1 3 309.409 4.226 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1C2CCCC1CCC2 ZINC001465101560 1061680774 /nfs/dbraw/zinc/68/07/74/1061680774.db2.gz ZWOAYNPKCYVBJI-UHFFFAOYSA-N -1 3 301.411 4.154 20 0 DIADHM CC1(C)CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001465131662 1061687920 /nfs/dbraw/zinc/68/79/20/1061687920.db2.gz BWVPUMVSHGORMA-UHFFFAOYSA-N -1 3 323.436 4.192 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)c2cccnc12 ZINC001252721580 1061702722 /nfs/dbraw/zinc/70/27/22/1061702722.db2.gz FHDTXVGDZSCVKW-UHFFFAOYSA-N -1 3 323.739 4.311 20 0 DIADHM O=C(N[C@H]1CC=CCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001465270675 1061722744 /nfs/dbraw/zinc/72/27/44/1061722744.db2.gz OXVMQJJJHADEPV-SFHVURJKSA-N -1 3 321.420 4.016 20 0 DIADHM CC(C)c1ccc(C(=O)NCCc2cc3ccccc3o2)c([O-])c1 ZINC001465280289 1061725556 /nfs/dbraw/zinc/72/55/56/1061725556.db2.gz QYVJBWZCRRKDEH-UHFFFAOYSA-N -1 3 323.392 4.234 20 0 DIADHM CC(C)(C)c1ccc(-c2nnc(-c3cc(Cl)n[n-]3)o2)cc1 ZINC001252831408 1061733987 /nfs/dbraw/zinc/73/39/87/1061733987.db2.gz DGNJVTHULJDRHV-UHFFFAOYSA-N -1 3 302.765 4.078 20 0 DIADHM COc1ccc([O-])c(C(=O)Nc2ccc(SC)c(Cl)c2)c1 ZINC001465627551 1061788868 /nfs/dbraw/zinc/78/88/68/1061788868.db2.gz FOLGKIAEPQETKB-UHFFFAOYSA-N -1 3 323.801 4.028 20 0 DIADHM C[C@](O)(CNc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC001253108431 1061808024 /nfs/dbraw/zinc/80/80/24/1061808024.db2.gz CVWXXSDJCDOKKF-HNNXBMFYSA-N -1 3 312.196 4.019 20 0 DIADHM CCc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C(C)C)c1[O-] ZINC001465789501 1061811091 /nfs/dbraw/zinc/81/10/91/1061811091.db2.gz SUWCIIOQYSZEQH-IBGZPJMESA-N -1 3 323.436 4.350 20 0 DIADHM [O-]c1c(OC(F)(F)F)cccc1-c1nnc(-c2ccccc2)o1 ZINC001253131516 1061822586 /nfs/dbraw/zinc/82/25/86/1061822586.db2.gz WEMCXRUQPYZRBX-UHFFFAOYSA-N -1 3 322.242 4.008 20 0 DIADHM CCC(C)(C)c1ccccc1C(=O)Nc1cccc([O-])c1F ZINC001466118229 1061879761 /nfs/dbraw/zinc/87/97/61/1061879761.db2.gz GQZIWTPRHGFJQL-UHFFFAOYSA-N -1 3 301.361 4.471 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC(C)(c3ccccc3)CC2)c1 ZINC001466122718 1061881353 /nfs/dbraw/zinc/88/13/53/1061881353.db2.gz UVJYYNRXIKASKD-UHFFFAOYSA-N -1 3 323.436 4.149 20 0 DIADHM CCCCC[C@H](O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001253543957 1061917571 /nfs/dbraw/zinc/91/75/71/1061917571.db2.gz GTURSGXYSHDFNB-JTQLQIEISA-N -1 3 306.233 4.361 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccc2cc(O)ccc21 ZINC001466631617 1061977120 /nfs/dbraw/zinc/97/71/20/1061977120.db2.gz QQCCKSWULUKIIU-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2[O-])c1C ZINC001466629537 1061977996 /nfs/dbraw/zinc/97/79/96/1061977996.db2.gz MAUOHJBVRCNMAS-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2cc3ccccc3s2)c([O-])c1 ZINC001466922720 1062025583 /nfs/dbraw/zinc/02/55/83/1062025583.db2.gz BXXQKBZXRCCIFW-GFCCVEGCSA-N -1 3 311.406 4.406 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c1 ZINC001254228526 1062060452 /nfs/dbraw/zinc/06/04/52/1062060452.db2.gz INGIHWIYDOHMQZ-UHFFFAOYSA-N -1 3 321.163 4.340 20 0 DIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)c1 ZINC001254786890 1062246740 /nfs/dbraw/zinc/24/67/40/1062246740.db2.gz UDUCSMMOAAIOND-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC001468498967 1062334580 /nfs/dbraw/zinc/33/45/80/1062334580.db2.gz WMBJVJQUFVCIJN-RYUDHWBXSA-N -1 3 317.351 4.293 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)cc1 ZINC001255216647 1062356030 /nfs/dbraw/zinc/35/60/30/1062356030.db2.gz CCUSBHURGJGMJX-UHFFFAOYSA-N -1 3 321.417 4.196 20 0 DIADHM CCC(C)(C)C1CCC(CC(=O)[N-]OCc2ccccn2)CC1 ZINC001468832879 1062416268 /nfs/dbraw/zinc/41/62/68/1062416268.db2.gz BLKALUVECCTWIB-UHFFFAOYSA-N -1 3 318.461 4.262 20 0 DIADHM CC(C)(C)c1ccc(CNCc2c(F)ccc([O-])c2F)s1 ZINC001474698526 1062426218 /nfs/dbraw/zinc/42/62/18/1062426218.db2.gz XMQWSPZLWHWSQB-UHFFFAOYSA-N -1 3 311.397 4.319 20 0 DIADHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475052429 1062490370 /nfs/dbraw/zinc/49/03/70/1062490370.db2.gz XFGDHFPILACKKY-JTQLQIEISA-N -1 3 309.884 4.039 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1oc2c(cccc2F)c1C ZINC001469786767 1062627618 /nfs/dbraw/zinc/62/76/18/1062627618.db2.gz ITQDLFGIEBZUKL-UHFFFAOYSA-N -1 3 316.357 4.250 20 0 DIADHM COc1cccc([O-])c1C(=O)N(C)C1CC(C)(C)CC(C)(C)C1 ZINC001469944592 1062667012 /nfs/dbraw/zinc/66/70/12/1062667012.db2.gz WPHHEKXOMIXTAG-UHFFFAOYSA-N -1 3 319.445 4.078 20 0 DIADHM COc1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1[O-] ZINC001255982685 1062676852 /nfs/dbraw/zinc/67/68/52/1062676852.db2.gz GMSIJPLDXOCJAA-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@H]2CCCC2(C)C)c([O-])c1 ZINC001470403240 1062772095 /nfs/dbraw/zinc/77/20/95/1062772095.db2.gz GHQKANHWWCSBLG-OAHLLOKOSA-N -1 3 303.446 4.462 20 0 DIADHM CC(C)c1ccc(C(=O)N(CCC2CC2)CC2CC2)c([O-])c1 ZINC001470440128 1062780591 /nfs/dbraw/zinc/78/05/91/1062780591.db2.gz NJDWQPDFESBZNC-UHFFFAOYSA-N -1 3 301.430 4.168 20 0 DIADHM CC(C)Cc1nnc(-c2cc(OCc3ccccc3)ccc2[O-])o1 ZINC001256518589 1062842509 /nfs/dbraw/zinc/84/25/09/1062842509.db2.gz VCFYPEZTSKXTFK-UHFFFAOYSA-N -1 3 324.380 4.220 20 0 DIADHM C[C@H](CN(C)C(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC001471012966 1062907693 /nfs/dbraw/zinc/90/76/93/1062907693.db2.gz KIACRINLRZSETH-GFCCVEGCSA-N -1 3 309.837 4.334 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3c(C)cccc3[O-])o2)cc1 ZINC001257322839 1063200626 /nfs/dbraw/zinc/20/06/26/1063200626.db2.gz BEUPEKALEXUNRE-HUUCEWRRSA-N -1 3 306.365 4.330 20 0 DIADHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3c([O-])cc(C)cc3O)o2)cc1 ZINC001257322824 1063202824 /nfs/dbraw/zinc/20/28/24/1063202824.db2.gz AXRVPRWKFSPZQY-ZIAGYGMSSA-N -1 3 322.364 4.036 20 0 DIADHM [O-]c1cc(F)c(CCNc2nc3ccc(F)cc3s2)c(F)c1 ZINC001472885937 1063300939 /nfs/dbraw/zinc/30/09/39/1063300939.db2.gz JXNBIRNLMOLIRV-UHFFFAOYSA-N -1 3 324.327 4.074 20 0 DIADHM CCC[C@@H](C)CCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC001472975736 1063336363 /nfs/dbraw/zinc/33/63/63/1063336363.db2.gz KAVZQLAAKYYFPA-CYBMUJFWSA-N -1 3 324.490 4.373 20 0 DIADHM Cc1ccccc1Cc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC001258386831 1063631318 /nfs/dbraw/zinc/63/13/18/1063631318.db2.gz QQGPXNZWUFYSHJ-UHFFFAOYSA-N -1 3 316.360 4.495 20 0 DIADHM CC(C)[C@H](c1ccccc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001461855830 1063751451 /nfs/dbraw/zinc/75/14/51/1063751451.db2.gz XHHQYBCKZPNHIR-GOSISDBHSA-N -1 3 305.368 4.500 20 0 DIADHM [O-]c1cc(-c2nnc(CC3CCCC3)o2)cc(C(F)(F)F)c1 ZINC001258695661 1063758523 /nfs/dbraw/zinc/75/85/23/1063758523.db2.gz UOSMFLNNBFEPHE-UHFFFAOYSA-N -1 3 312.291 4.194 20 0 DIADHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc([O-])c(F)c1F ZINC001461893990 1063782145 /nfs/dbraw/zinc/78/21/45/1063782145.db2.gz AUYLMYJZMKTSFL-RISCZKNCSA-N -1 3 321.342 4.188 20 0 DIADHM Cc1ccc(-c2nnc(-c3cc([O-])cc(Cl)c3)o2)cc1F ZINC001258785302 1063823480 /nfs/dbraw/zinc/82/34/80/1063823480.db2.gz KZSSFRGKSRTDGA-UHFFFAOYSA-N -1 3 304.708 4.210 20 0 DIADHM Cc1cc(C)cc(S(=O)(=O)[N-]c2c(F)cccc2C(C)C)c1 ZINC001259524531 1063889951 /nfs/dbraw/zinc/88/99/51/1063889951.db2.gz AFSHKHCAUWLNJA-UHFFFAOYSA-N -1 3 321.417 4.367 20 0 DIADHM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259815353 1063895020 /nfs/dbraw/zinc/89/50/20/1063895020.db2.gz YMRMQNBVNRYFNI-UHFFFAOYSA-N -1 3 321.364 4.088 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1C ZINC001260991601 1063905302 /nfs/dbraw/zinc/90/53/02/1063905302.db2.gz NLHKOQCFDOEXOK-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)cc1C ZINC001260761122 1063905574 /nfs/dbraw/zinc/90/55/74/1063905574.db2.gz SYJWTTYHTYGNCB-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)c1C ZINC001260998350 1063908144 /nfs/dbraw/zinc/90/81/44/1063908144.db2.gz GWODCDUNKCHJRN-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261199026 1063910941 /nfs/dbraw/zinc/91/09/41/1063910941.db2.gz ADMVVOPJFLHHBC-GOEBONIOSA-N -1 3 309.409 4.198 20 0 DIADHM [O-]c1ccc(CN2CCc3c2cccc3C(F)(F)F)cc1F ZINC001462072372 1063914012 /nfs/dbraw/zinc/91/40/12/1063914012.db2.gz JAZLYKXRDGPUCW-UHFFFAOYSA-N -1 3 311.278 4.113 20 0 DIADHM CC(C)CN(C(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000386700118 1064057958 /nfs/dbraw/zinc/05/79/58/1064057958.db2.gz NFYNCNKIWJITGI-UHFFFAOYSA-N -1 3 303.789 4.348 20 0 DIADHM CCc1cc(C(=O)[N-]c2ccccc2SC(F)(F)F)no1 ZINC001264530242 1064109136 /nfs/dbraw/zinc/10/91/36/1064109136.db2.gz CUPKMNUNDCVLQM-UHFFFAOYSA-N -1 3 316.304 4.101 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1 ZINC001290426921 1064692752 /nfs/dbraw/zinc/69/27/52/1064692752.db2.gz PWIBWVGQLQPGSI-UHFFFAOYSA-N -1 3 324.380 4.472 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1[O-] ZINC001290639876 1064703613 /nfs/dbraw/zinc/70/36/13/1064703613.db2.gz GKLIISXSTCMQPS-GOSISDBHSA-N -1 3 309.409 4.240 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC001290691124 1064706187 /nfs/dbraw/zinc/70/61/87/1064706187.db2.gz CIJFHPLVIUIKIG-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM CCc1ccc(CN(C(=O)c2ccc(CC)cc2[O-])C2CC2)cc1 ZINC001290741789 1064709443 /nfs/dbraw/zinc/70/94/43/1064709443.db2.gz RDETXOXEJNIALU-UHFFFAOYSA-N -1 3 323.436 4.322 20 0 DIADHM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC001292000211 1064754776 /nfs/dbraw/zinc/75/47/76/1064754776.db2.gz JXABMNIUCMGMOH-CYBMUJFWSA-N -1 3 309.365 4.246 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC001292258234 1064765998 /nfs/dbraw/zinc/76/59/98/1064765998.db2.gz KUSUJXVOWMVWND-INIZCTEOSA-N -1 3 309.409 4.243 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC001292480789 1064777066 /nfs/dbraw/zinc/77/70/66/1064777066.db2.gz DRWDWYISLYKVMM-HUUCEWRRSA-N -1 3 303.446 4.283 20 0 DIADHM CCc1ccc(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)c([O-])c1 ZINC001292766427 1064786857 /nfs/dbraw/zinc/78/68/57/1064786857.db2.gz LWMHYZGZPJZGKQ-RDJZCZTQSA-N -1 3 303.446 4.289 20 0 DIADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001294200558 1064855434 /nfs/dbraw/zinc/85/54/34/1064855434.db2.gz XSGWOWNNHYIJMN-HNNXBMFYSA-N -1 3 303.427 4.258 20 0 DIADHM O=C(N[C@@H]1C=CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001294729336 1064882189 /nfs/dbraw/zinc/88/21/89/1064882189.db2.gz IGNCZXFRZCTZJM-CQSZACIVSA-N -1 3 309.365 4.023 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001295351124 1064907801 /nfs/dbraw/zinc/90/78/01/1064907801.db2.gz PLBBUSXKJPDBPM-KBPBESRZSA-N -1 3 319.763 4.317 20 0 DIADHM Cc1ccc(C)c([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC001295853695 1064930927 /nfs/dbraw/zinc/93/09/27/1064930927.db2.gz 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/nfs/dbraw/zinc/98/50/53/1064985053.db2.gz MQDGPOSTCCKUDD-UHFFFAOYSA-N -1 3 321.376 4.423 20 0 DIADHM CC(C)c1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)c([O-])c1 ZINC001297813057 1064991065 /nfs/dbraw/zinc/99/10/65/1064991065.db2.gz UBNAIKFBTVECPP-FUHWJXTLSA-N -1 3 303.446 4.268 20 0 DIADHM CCc1ccc(N(CC2CC2)C(=O)c2cc(C)ccc2[O-])cc1 ZINC001298146022 1064999037 /nfs/dbraw/zinc/99/90/37/1064999037.db2.gz BWDNFXCIXBURQG-UHFFFAOYSA-N -1 3 309.409 4.320 20 0 DIADHM CCOc1ccc(Cl)c(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC001298201655 1065000622 /nfs/dbraw/zinc/00/06/22/1065000622.db2.gz GVTYGUZKGQWXGB-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(C(F)F)c1F ZINC001298551391 1065008336 /nfs/dbraw/zinc/00/83/36/1065008336.db2.gz ZYPHBUZDJLOBGP-UHFFFAOYSA-N -1 3 315.678 4.375 20 0 DIADHM CC(C)=CCC[C@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001298749183 1065019006 /nfs/dbraw/zinc/01/90/06/1065019006.db2.gz RKNNZWROGILSGN-ZDUSSCGKSA-N -1 3 303.402 4.306 20 0 DIADHM O=c1cc(CSC2CCCCC2)nc(-c2ccccc2)[n-]1 ZINC001307265711 1065318860 /nfs/dbraw/zinc/31/88/60/1065318860.db2.gz CFUTZGKHZVDQBR-UHFFFAOYSA-N -1 3 300.427 4.415 20 0 DIADHM O=C([N-]c1nc(-c2cccc(F)c2)cs1)c1sccc1F ZINC000477195561 334951552 /nfs/dbraw/zinc/95/15/52/334951552.db2.gz QVOYPIBVQDPZTQ-UHFFFAOYSA-N -1 3 322.361 4.402 20 0 DIADHM Cc1cc(Cl)cc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000417538123 334960194 /nfs/dbraw/zinc/96/01/94/334960194.db2.gz SUKXTPCNFMIULO-CQSZACIVSA-N -1 3 309.818 4.016 20 0 DIADHM CC(C)Cc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)cs1 ZINC000072505074 191184105 /nfs/dbraw/zinc/18/41/05/191184105.db2.gz RHFPUFXNEIKJKU-UHFFFAOYSA-N -1 3 314.332 4.011 20 0 DIADHM Cc1sccc1CN[C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000417565804 334990638 /nfs/dbraw/zinc/99/06/38/334990638.db2.gz HNCVDBDURBLFSC-KRWDZBQOSA-N -1 3 317.454 4.486 20 0 DIADHM O=C([O-])[C@H](CC1CCCC1)NCc1cc(Cl)sc1Cl ZINC000417578973 334997526 /nfs/dbraw/zinc/99/75/26/334997526.db2.gz OOPNJOFOQONTGY-JTQLQIEISA-N -1 3 322.257 4.178 20 0 DIADHM Cc1oc2ccccc2c1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417617722 335009904 /nfs/dbraw/zinc/00/99/04/335009904.db2.gz CJSKJTHODPOYJX-SJLPKXTDSA-N -1 3 321.376 4.144 20 0 DIADHM CC(C)Sc1cccc(Cl)c1CNC[C@H](C)CC(=O)[O-] ZINC000417625627 335015703 /nfs/dbraw/zinc/01/57/03/335015703.db2.gz RXJUKVPEGUMOCU-LLVKDONJSA-N -1 3 315.866 4.041 20 0 DIADHM Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)c([O-])c1 ZINC000015922829 182024808 /nfs/dbraw/zinc/02/48/08/182024808.db2.gz JINXEFLOBSKLOB-UHFFFAOYSA-N -1 3 313.397 4.150 20 0 DIADHM COc1ccc(NC(=O)Nc2c([O-])ccc3ccccc32)cc1 ZINC000015952478 182026059 /nfs/dbraw/zinc/02/60/59/182026059.db2.gz IFUMMUYJFAVUML-UHFFFAOYSA-N -1 3 308.337 4.198 20 0 DIADHM C[C@H](CC(C)(C)NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000417639227 335022673 /nfs/dbraw/zinc/02/26/73/335022673.db2.gz RQHRQLUPIPNZQW-SSDOTTSWSA-N -1 3 310.246 4.034 20 0 DIADHM Cc1cc(F)c(CN[C@@H](CCC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000417639939 335025559 /nfs/dbraw/zinc/02/55/59/335025559.db2.gz 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ZINC000558303011 331895212 /nfs/dbraw/zinc/89/52/12/331895212.db2.gz JMLOJSSMQMYLRJ-AWEZNQCLSA-N -1 3 315.800 4.065 20 0 DIADHM CCC[C@H](C(=O)Nc1cc(Cl)cc(C)c1[O-])c1ccccn1 ZINC000559310177 332022969 /nfs/dbraw/zinc/02/29/69/332022969.db2.gz JARCYZMQTZSGPT-ZDUSSCGKSA-N -1 3 318.804 4.271 20 0 DIADHM O=C([O-])C[C@H](NCc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000426791649 332153971 /nfs/dbraw/zinc/15/39/71/332153971.db2.gz JIEWYHCVKOVEQU-HNNXBMFYSA-N -1 3 324.207 4.299 20 0 DIADHM CCC[C@H](C)C[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426795153 332154460 /nfs/dbraw/zinc/15/44/60/332154460.db2.gz VVJZKUUXZUQEBM-GWCFXTLKSA-N -1 3 318.244 4.363 20 0 DIADHM CC(C)(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000426797698 332154735 /nfs/dbraw/zinc/15/47/35/332154735.db2.gz CCVYOARFINUWCM-QGZVFWFLSA-N -1 3 315.388 4.039 20 0 DIADHM CC(C)(C)C[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000426830042 332155940 /nfs/dbraw/zinc/15/59/40/332155940.db2.gz UTMUQDNXDQGXMP-LBPRGKRZSA-N -1 3 309.793 4.065 20 0 DIADHM Cc1ccccc1CN[C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000426828075 332155969 /nfs/dbraw/zinc/15/59/69/332155969.db2.gz XZTHGTQDHAMRFT-LJQANCHMSA-N -1 3 311.425 4.424 20 0 DIADHM O=C([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1Cl ZINC000569611994 332206171 /nfs/dbraw/zinc/20/61/71/332206171.db2.gz OACBQSMPZDQAHM-UHFFFAOYSA-N -1 3 321.829 4.264 20 0 DIADHM Cc1ccc([O-])c(C(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000533871666 332226565 /nfs/dbraw/zinc/22/65/65/332226565.db2.gz KCUHHILCAYGKIW-UHFFFAOYSA-N -1 3 313.397 4.269 20 0 DIADHM Cc1ccc(NC(=O)CCOc2ccccc2C(C)C)c([O-])c1 ZINC000533882423 332233395 /nfs/dbraw/zinc/23/33/95/332233395.db2.gz DYFRJNLZJUXBGN-UHFFFAOYSA-N -1 3 313.397 4.232 20 0 DIADHM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000531113034 332310723 /nfs/dbraw/zinc/31/07/23/332310723.db2.gz CHFUSQQZEIIMAX-CQSZACIVSA-N -1 3 318.804 4.183 20 0 DIADHM CCC(C)(C)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000566363683 332380219 /nfs/dbraw/zinc/38/02/19/332380219.db2.gz RRXMMYCGSPUHOU-HNNXBMFYSA-N -1 3 309.837 4.439 20 0 DIADHM O=C(Cc1cccc2ccccc21)Nc1c([O-])cccc1Cl ZINC000560819499 332388409 /nfs/dbraw/zinc/38/84/09/332388409.db2.gz FCYINTRUAYXFOB-UHFFFAOYSA-N -1 3 311.768 4.380 20 0 DIADHM CCc1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000560819592 332388439 /nfs/dbraw/zinc/38/84/39/332388439.db2.gz GEZRODPMYUIDCY-UHFFFAOYSA-N -1 3 303.789 4.179 20 0 DIADHM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000561133571 332415050 /nfs/dbraw/zinc/41/50/50/332415050.db2.gz DHAGRYZTEANRBA-IPMKNSEASA-N -1 3 321.420 4.109 20 0 DIADHM Cc1noc(C2CC2)c1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000562327711 332578151 /nfs/dbraw/zinc/57/81/51/332578151.db2.gz BJPPHZKCQUYLDK-UHFFFAOYSA-N -1 3 321.789 4.309 20 0 DIADHM CC(C)CC1(C)CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000570106909 332713145 /nfs/dbraw/zinc/71/31/45/332713145.db2.gz IRKYUZRTOJQIOE-UHFFFAOYSA-N -1 3 307.409 4.172 20 0 DIADHM C[C@@H](c1noc(CCCc2ccc([O-])c(F)c2)n1)C(C)(C)C ZINC000570199916 332724480 /nfs/dbraw/zinc/72/44/80/332724480.db2.gz UDIYGNQAAGBYNU-NSHDSACASA-N -1 3 306.381 4.239 20 0 DIADHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc([O-])ccc1Cl ZINC000580260722 333043921 /nfs/dbraw/zinc/04/39/21/333043921.db2.gz AXNYWTFEQHHTBU-RWMBFGLXSA-N -1 3 307.821 4.134 20 0 DIADHM O=C(NCCCC1CCCC1)c1cc([O-])ccc1C(F)(F)F ZINC000189017264 333061228 /nfs/dbraw/zinc/06/12/28/333061228.db2.gz NADDHPMEOWDGBO-UHFFFAOYSA-N -1 3 315.335 4.111 20 0 DIADHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1 ZINC000460411047 333080880 /nfs/dbraw/zinc/08/08/80/333080880.db2.gz HWKDVOORWFPHBS-UHFFFAOYSA-N -1 3 303.427 4.228 20 0 DIADHM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000460433893 333086729 /nfs/dbraw/zinc/08/67/29/333086729.db2.gz FNJDVIQMSGPBJN-UHFFFAOYSA-N -1 3 319.426 4.010 20 0 DIADHM Cc1cc(Cl)ccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000181812396 333102723 /nfs/dbraw/zinc/10/27/23/333102723.db2.gz MXVMIDIIWCSYAY-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM Cc1c(NCc2cc([O-])cc(C(F)(F)F)c2)cccc1N(C)C ZINC000516656396 333136486 /nfs/dbraw/zinc/13/64/86/333136486.db2.gz AVYPETDZJILSBY-UHFFFAOYSA-N -1 3 324.346 4.398 20 0 DIADHM CC(C)Oc1ccc(NC(=O)c2cccc([O-])c2)cc1Cl ZINC000181940581 333147128 /nfs/dbraw/zinc/14/71/28/333147128.db2.gz OXTHATTYFOQPSI-UHFFFAOYSA-N -1 3 305.761 4.085 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000497159058 333183428 /nfs/dbraw/zinc/18/34/28/333183428.db2.gz WMTKZTTXFDUUJI-UHFFFAOYSA-N -1 3 314.143 4.399 20 0 DIADHM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000318768490 333209161 /nfs/dbraw/zinc/20/91/61/333209161.db2.gz FVLVFEKBVMVJDI-UHFFFAOYSA-N -1 3 321.417 4.114 20 0 DIADHM CCCc1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])s1 ZINC000525754785 333229533 /nfs/dbraw/zinc/22/95/33/333229533.db2.gz GJXKYGCPQNYSLJ-UHFFFAOYSA-N -1 3 310.806 4.015 20 0 DIADHM CSc1ccc(C)c(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000497904519 333308107 /nfs/dbraw/zinc/30/81/07/333308107.db2.gz VBBRGIMUTFYGTE-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM Cc1cc(C(=O)N(C)CCc2cccc3ccccc32)ccc1[O-] ZINC000499885879 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ZINC000531351281 333345669 /nfs/dbraw/zinc/34/56/69/333345669.db2.gz UYQUBPVLLFDLCG-UHFFFAOYSA-N -1 3 317.388 4.164 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(-c2ccccc2F)o1 ZINC000531372474 333346984 /nfs/dbraw/zinc/34/69/84/333346984.db2.gz JMBLUUFPDZPOIJ-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM O=C(Nc1ccc(Cl)cc1)c1cn[n-]c1-c1ccsc1 ZINC000186935547 333381682 /nfs/dbraw/zinc/38/16/82/333381682.db2.gz BRJSBPDLUPNYSC-UHFFFAOYSA-N -1 3 303.774 4.044 20 0 DIADHM O=C(Nc1ccc(Cl)cc1)c1c[n-]nc1-c1ccsc1 ZINC000186935547 333381683 /nfs/dbraw/zinc/38/16/83/333381683.db2.gz BRJSBPDLUPNYSC-UHFFFAOYSA-N -1 3 303.774 4.044 20 0 DIADHM Cc1c([N-]C(=O)COc2ccsc2)onc1C1CCCCC1 ZINC000563161845 333411407 /nfs/dbraw/zinc/41/14/07/333411407.db2.gz LIYKQZWOYGHTPB-UHFFFAOYSA-N -1 3 320.414 4.110 20 0 DIADHM CCc1ccc(-c2ccc(CNCCC[C@@H](C)C(=O)[O-])o2)cc1 ZINC000426636287 333511667 /nfs/dbraw/zinc/51/16/67/333511667.db2.gz DYKIKYQEUYMFHR-CQSZACIVSA-N -1 3 315.413 4.100 20 0 DIADHM CCc1ccc(-c2ccc(CNCCC[C@H](C)C(=O)[O-])o2)cc1 ZINC000426636285 333511824 /nfs/dbraw/zinc/51/18/24/333511824.db2.gz DYKIKYQEUYMFHR-AWEZNQCLSA-N -1 3 315.413 4.100 20 0 DIADHM Cc1ccc(-c2ccc(CNCCCC(C)(C)C(=O)[O-])o2)cc1 ZINC000426643875 333511909 /nfs/dbraw/zinc/51/19/09/333511909.db2.gz TYPQIFUAQAYEGW-UHFFFAOYSA-N -1 3 315.413 4.236 20 0 DIADHM CCOc1ccc(F)c([N-]C(=O)c2oc(C(C)C)nc2C)c1F ZINC000410623726 333523517 /nfs/dbraw/zinc/52/35/17/333523517.db2.gz JWGYITVQRHTWCB-UHFFFAOYSA-N -1 3 324.327 4.036 20 0 DIADHM CC(C)c1scnc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000571563187 333816473 /nfs/dbraw/zinc/81/64/73/333816473.db2.gz NCDSHDGGRSGJGN-UHFFFAOYSA-N -1 3 313.382 4.174 20 0 DIADHM CC(C)Cc1c[nH]c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000413708057 333865772 /nfs/dbraw/zinc/86/57/72/333865772.db2.gz CWBGCYFLDACJOV-ZDUSSCGKSA-N -1 3 312.413 4.073 20 0 DIADHM Cc1ccc([O-])c(-c2nc(Cc3cccc4ccccc43)no2)c1 ZINC000436887463 334014894 /nfs/dbraw/zinc/01/48/94/334014894.db2.gz KDAIRJQJOBYKCW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/13/71/88/334137188.db2.gz RVBRDFKFHKJOER-NEPJUHHUSA-N -1 3 309.356 4.058 20 0 DIADHM Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c([O-])c1 ZINC000534601896 334296917 /nfs/dbraw/zinc/29/69/17/334296917.db2.gz OHBBCMQTJXHTCA-UHFFFAOYSA-N -1 3 320.392 4.267 20 0 DIADHM O=C([N-]c1ccsc1Cl)c1ccc(Br)o1 ZINC000187861463 334297512 /nfs/dbraw/zinc/29/75/12/334297512.db2.gz OSECFEYULVIDND-UHFFFAOYSA-N -1 3 306.568 4.009 20 0 DIADHM O=C(CCc1ccc(Cl)s1)Nc1cc(Cl)ccc1[O-] ZINC000111164991 334305460 /nfs/dbraw/zinc/30/54/60/334305460.db2.gz NTHCLBABSYXBIR-UHFFFAOYSA-N -1 3 316.209 4.332 20 0 DIADHM Cc1cc(Cl)cc(NC(=O)c2cc3ccccc3[nH]2)c1[O-] ZINC000534704422 334328486 /nfs/dbraw/zinc/32/84/86/334328486.db2.gz JETREKGXXKJZRY-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000534729539 334332745 /nfs/dbraw/zinc/33/27/45/334332745.db2.gz YGANRRDUGRUMAG-VHSXEESVSA-N -1 3 321.726 4.353 20 0 DIADHM Cc1ccc(OCCCC(=O)Nc2ccccc2[O-])c(Cl)c1 ZINC000532006847 334371854 /nfs/dbraw/zinc/37/18/54/334371854.db2.gz RDSQIJJEMOIVDV-UHFFFAOYSA-N -1 3 319.788 4.152 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000340796059 334386199 /nfs/dbraw/zinc/38/61/99/334386199.db2.gz JWXXCVRWSIQMGB-HNNXBMFYSA-N -1 3 322.191 4.286 20 0 DIADHM CCc1onc(C)c1[N-]C(=O)c1ccc(-c2cccs2)o1 ZINC000341232804 334420848 /nfs/dbraw/zinc/42/08/48/334420848.db2.gz YPUUBLXQEWATDX-UHFFFAOYSA-N -1 3 302.355 4.119 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1csc(-c2ccoc2)n1 ZINC000341738726 334475439 /nfs/dbraw/zinc/47/54/39/334475439.db2.gz PCBXMNRRMDPPPM-UHFFFAOYSA-N -1 3 324.283 4.073 20 0 DIADHM CC[C@@H]1CCc2c(sc3[n-]c(CC(F)(F)F)nc(=O)c23)C1 ZINC000416413799 334666975 /nfs/dbraw/zinc/66/69/75/334666975.db2.gz QFBLYDMPMKLXOB-SSDOTTSWSA-N -1 3 316.348 4.017 20 0 DIADHM CC(C)Sc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417012496 334690180 /nfs/dbraw/zinc/69/01/80/334690180.db2.gz AHKNZIYNLLKKBF-UHFFFAOYSA-N -1 3 315.442 4.172 20 0 DIADHM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000330405212 334778974 /nfs/dbraw/zinc/77/89/74/334778974.db2.gz MZMISPJAEVRBMF-UKRRQHHQSA-N -1 3 319.445 4.224 20 0 DIADHM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCO1 ZINC000330416293 334780337 /nfs/dbraw/zinc/78/03/37/334780337.db2.gz VEEKTBDPJFNWEZ-ZFWWWQNUSA-N -1 3 319.445 4.224 20 0 DIADHM CC[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000448698566 338468334 /nfs/dbraw/zinc/46/83/34/338468334.db2.gz FYNRKGHHEGNZQU-HNNXBMFYSA-N -1 3 311.425 4.127 20 0 DIADHM CCc1ccc(C(=O)Nc2c(C)noc2-c2ccccc2)c([O-])c1 ZINC000189689915 334907519 /nfs/dbraw/zinc/90/75/19/334907519.db2.gz NVXPTNWUMXOTGV-UHFFFAOYSA-N -1 3 322.364 4.170 20 0 DIADHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000189742801 334910054 /nfs/dbraw/zinc/91/00/54/334910054.db2.gz RLCPIDBJTBTHFC-UHFFFAOYSA-N -1 3 322.238 4.164 20 0 DIADHM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000345133845 335304385 /nfs/dbraw/zinc/30/43/85/335304385.db2.gz MSTUFSICWFKLOO-GJZGRUSLSA-N -1 3 319.445 4.074 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccc3cnccc32)c2c([O-])cccc21 ZINC000345169158 335308580 /nfs/dbraw/zinc/30/85/80/335308580.db2.gz VXSDARDLIQSRSV-ZDUSSCGKSA-N -1 3 318.376 4.094 20 0 DIADHM C[C@H]1CCN(C(=O)c2cncc3ccccc32)c2c([O-])cccc21 ZINC000345169080 335308735 /nfs/dbraw/zinc/30/87/35/335308735.db2.gz VSXKUAKGPKEUEH-ZDUSSCGKSA-N -1 3 318.376 4.094 20 0 DIADHM Cc1oc(-c2ccccc2)c(C(=O)Nc2nc(C)ccc2[O-])c1C ZINC000444768725 338487147 /nfs/dbraw/zinc/48/71/47/338487147.db2.gz GCPMPWQDZZMSNM-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])s1 ZINC000114668905 335815325 /nfs/dbraw/zinc/81/53/25/335815325.db2.gz WXTMDCBSZHUCNR-AWEZNQCLSA-N -1 3 301.411 4.048 20 0 DIADHM Cc1ccc(NC(=O)CCOc2ccc3ccccc3c2)c([O-])c1 ZINC000519213566 335816378 /nfs/dbraw/zinc/81/63/78/335816378.db2.gz LIRHOOGTICBDNF-UHFFFAOYSA-N -1 3 321.376 4.261 20 0 DIADHM CC(C)(CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000519310695 335832058 /nfs/dbraw/zinc/83/20/58/335832058.db2.gz XDVWAMIOIWOVQC-UHFFFAOYSA-N -1 3 303.789 4.352 20 0 DIADHM Cc1cscc1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000445623217 338502902 /nfs/dbraw/zinc/50/29/02/338502902.db2.gz FKEKVYRCLHNESR-UHFFFAOYSA-N -1 3 312.394 4.358 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1cccc([O-])c1F ZINC000519516335 335870793 /nfs/dbraw/zinc/87/07/93/335870793.db2.gz OMAWHOKJGKGPMI-OLZOCXBDSA-N -1 3 313.372 4.459 20 0 DIADHM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000182550813 335952511 /nfs/dbraw/zinc/95/25/11/335952511.db2.gz KQPDZXDSPHZFCM-STQMWFEESA-N -1 3 317.816 4.310 20 0 DIADHM CCSCCCc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000445765735 338507876 /nfs/dbraw/zinc/50/78/76/338507876.db2.gz MYCPWSFFHOVARP-UHFFFAOYSA-N -1 3 318.442 4.007 20 0 DIADHM Cc1cc(C(=O)Nc2ccc(Cl)c3cccnc23)ccc1[O-] ZINC000389252020 336004927 /nfs/dbraw/zinc/00/49/27/336004927.db2.gz MWHVHPOESSYEBI-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc3sccc3[nH]2)c2c([O-])cccc21 ZINC000192213326 336021796 /nfs/dbraw/zinc/02/17/96/336021796.db2.gz NRBWRYALQNIENS-JTQLQIEISA-N -1 3 312.394 4.089 20 0 DIADHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000468792266 336030015 /nfs/dbraw/zinc/03/00/15/336030015.db2.gz CFBLZWSPNBSROO-WMLDXEAASA-N -1 3 321.436 4.281 20 0 DIADHM Cc1ncsc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000351668794 336056604 /nfs/dbraw/zinc/05/66/04/336056604.db2.gz CXFJUIMCDGYPRK-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cn2)c2c([O-])cccc21 ZINC000332232769 336164158 /nfs/dbraw/zinc/16/41/58/336164158.db2.gz QXIXECQPTAXFMA-ZDUSSCGKSA-N -1 3 324.424 4.239 20 0 DIADHM CCCN(C(=O)c1ccc(C)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000332276753 336166189 /nfs/dbraw/zinc/16/61/89/336166189.db2.gz BACHYQMJGSXRST-QGZVFWFLSA-N -1 3 324.424 4.025 20 0 DIADHM COC1(C(=O)[N-]c2onc(C3CCCCC3)c2C)CCCCC1 ZINC000333822599 336210580 /nfs/dbraw/zinc/21/05/80/336210580.db2.gz JIIHBMATESXRAV-UHFFFAOYSA-N -1 3 320.433 4.319 20 0 DIADHM Cc1ccccc1[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000352607747 336226650 /nfs/dbraw/zinc/22/66/50/336226650.db2.gz ZGFKHRVTHYJXHB-LBPRGKRZSA-N -1 3 303.789 4.187 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2C)c1 ZINC000037415512 336239144 /nfs/dbraw/zinc/23/91/44/336239144.db2.gz VUQBISIDSNQFPU-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM COc1cccc(-c2nc(-c3ccc4ccccc4c3)no2)c1[O-] ZINC000324791856 336258246 /nfs/dbraw/zinc/25/82/46/336258246.db2.gz KESQISIWSCYVNO-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000532837097 336272633 /nfs/dbraw/zinc/27/26/33/336272633.db2.gz MEDDVVXGHLDSEJ-UHFFFAOYSA-N -1 3 315.678 4.317 20 0 DIADHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000532836534 336272713 /nfs/dbraw/zinc/27/27/13/336272713.db2.gz DFVOCYLMIBTMOM-UHFFFAOYSA-N -1 3 324.833 4.360 20 0 DIADHM COc1cccc([C@H](C)CC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532840394 336272761 /nfs/dbraw/zinc/27/27/61/336272761.db2.gz QUWQMPAFFBFLRC-LLVKDONJSA-N -1 3 319.788 4.187 20 0 DIADHM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cccc([O-])c1 ZINC000182581839 336272857 /nfs/dbraw/zinc/27/28/57/336272857.db2.gz FNWFJVWUTWEGNY-UHFFFAOYSA-N -1 3 309.287 4.139 20 0 DIADHM CC[C@@H]([N-]c1nc(C(C)C)no1)c1ccccc1OC(F)F ZINC000301337052 336301246 /nfs/dbraw/zinc/30/12/46/336301246.db2.gz OKEIOMVVOZVYJK-LLVKDONJSA-N -1 3 311.332 4.358 20 0 DIADHM Clc1ccc(C[N-]c2nc(-c3cccc(Cl)c3)no2)nc1 ZINC000302005175 336342653 /nfs/dbraw/zinc/34/26/53/336342653.db2.gz KQIFVTRSIBMQFF-UHFFFAOYSA-N -1 3 321.167 4.051 20 0 DIADHM C[C@@H]1C[C@H](C)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000514609174 336386151 /nfs/dbraw/zinc/38/61/51/336386151.db2.gz IGVUJFUQXMZPAD-ISTVAULSSA-N -1 3 316.228 4.097 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1cccc(F)c1 ZINC000353406930 336415850 /nfs/dbraw/zinc/41/58/50/336415850.db2.gz FYTBDLMFYQTXPL-MRXNPFEDSA-N -1 3 319.763 4.162 20 0 DIADHM Clc1cc2cc(-c3nc(-c4cscn4)no3)[n-]c2s1 ZINC000354137420 336461204 /nfs/dbraw/zinc/46/12/04/336461204.db2.gz LCOCMWHQAGWNRB-UHFFFAOYSA-N -1 3 308.775 4.056 20 0 DIADHM C[C@@H](c1ccccc1)N(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000354294747 336465990 /nfs/dbraw/zinc/46/59/90/336465990.db2.gz DBIAMJFHBOFDNB-LBPRGKRZSA-N -1 3 315.800 4.411 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3ccc([O-])c(C)c3)c2)cs1 ZINC000354358377 336468048 /nfs/dbraw/zinc/46/80/48/336468048.db2.gz SRMNHDQRIQQFBD-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cccc([O-])c1 ZINC000357185772 336576316 /nfs/dbraw/zinc/57/63/16/336576316.db2.gz JNVDDIMMDNYRQP-UHFFFAOYSA-N -1 3 320.348 4.177 20 0 DIADHM Cc1nc(-c2ccccc2NC(=O)c2cccc([O-])c2)cs1 ZINC000357641323 336593071 /nfs/dbraw/zinc/59/30/71/336593071.db2.gz GXFMTKRYSVBKLW-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCO[C@@H](C)c1ncc(C(=O)[N-]c2ccccc2SC)s1 ZINC000361518412 336760587 /nfs/dbraw/zinc/76/05/87/336760587.db2.gz HIJBNDZVZBWDFO-JTQLQIEISA-N -1 3 322.455 4.215 20 0 DIADHM Cc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)c(C)n1 ZINC000362929068 336815123 /nfs/dbraw/zinc/81/51/23/336815123.db2.gz ZKNIHAFSIIKEMZ-UHFFFAOYSA-N -1 3 305.790 4.147 20 0 DIADHM O=c1[n-]c(CSc2cccs2)nc2c3ccccc3oc21 ZINC000117110159 336852104 /nfs/dbraw/zinc/85/21/04/336852104.db2.gz RJBDVGYYTDUUHM-UHFFFAOYSA-N -1 3 314.391 4.023 20 0 DIADHM Cc1cccc([C@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])c1C ZINC000582535879 337106293 /nfs/dbraw/zinc/10/62/93/337106293.db2.gz YZKORJHLNNRPNM-INIZCTEOSA-N -1 3 319.351 4.157 20 0 DIADHM CCC[C@H](OC)c1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000582588474 337110289 /nfs/dbraw/zinc/11/02/89/337110289.db2.gz TYFYKWXLCVOHEZ-VIFPVBQESA-N -1 3 311.794 4.420 20 0 DIADHM CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000582637134 337116779 /nfs/dbraw/zinc/11/67/79/337116779.db2.gz XYOHGRBXZGVFIN-INIZCTEOSA-N -1 3 303.789 4.173 20 0 DIADHM Cc1nc(C2CCCC2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174876257 337145120 /nfs/dbraw/zinc/14/51/20/337145120.db2.gz XDXNDJZILBLQQV-UHFFFAOYSA-N -1 3 320.389 4.206 20 0 DIADHM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1ccc([O-])cc1F ZINC000180862151 337178312 /nfs/dbraw/zinc/17/83/12/337178312.db2.gz BFBKUZGQUSEURX-UHFFFAOYSA-N -1 3 318.735 4.227 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000183016054 337190980 /nfs/dbraw/zinc/19/09/80/337190980.db2.gz AWJNBZTUWUPTGL-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cccc(-c2ccccn2)c1C ZINC000183039270 337191011 /nfs/dbraw/zinc/19/10/11/337191011.db2.gz FJMUPAOJGKINAM-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM O=[S@](Cc1ccc(Cl)c(Cl)c1)c1cccc([O-])c1 ZINC000184029250 337194661 /nfs/dbraw/zinc/19/46/61/337194661.db2.gz LOZLZNVXJJWZJM-GOSISDBHSA-N -1 3 301.194 4.007 20 0 DIADHM CCc1ccc(-c2nc(Cc3ccc(F)cc3C)no2)c([O-])c1 ZINC000582931581 337215872 /nfs/dbraw/zinc/21/58/72/337215872.db2.gz PHTRFYBFBQYWNU-UHFFFAOYSA-N -1 3 312.344 4.043 20 0 DIADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000582910247 337216518 /nfs/dbraw/zinc/21/65/18/337216518.db2.gz GGLAPLNNNRYKFC-FMKPAKJESA-N -1 3 313.397 4.164 20 0 DIADHM O=C(C/C=C/c1ccc(F)cc1)Nc1c([O-])cccc1Cl ZINC000583113046 337238553 /nfs/dbraw/zinc/23/85/53/337238553.db2.gz SIGAPGJCSJTJIN-HNQUOIGGSA-N -1 3 305.736 4.227 20 0 DIADHM O=C(Nc1ccccc1[O-])c1cc(-c2ccccn2)ccc1Cl ZINC000129848297 337430897 /nfs/dbraw/zinc/43/08/97/337430897.db2.gz WSGUNIIEEWJGJV-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM CO[C@H](CC(C)C)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000420507181 337505460 /nfs/dbraw/zinc/50/54/60/337505460.db2.gz XRGYCZVHMADFTE-MRXNPFEDSA-N -1 3 312.369 4.329 20 0 DIADHM CN(C(=O)c1cc2cc(Cl)sc2[n-]1)c1ccc(F)cc1 ZINC000572057743 337588016 /nfs/dbraw/zinc/58/80/16/337588016.db2.gz JBUHIOGCHPBLSD-UHFFFAOYSA-N -1 3 308.765 4.299 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1occc1-c1ccc(F)cc1 ZINC000162378732 337616851 /nfs/dbraw/zinc/61/68/51/337616851.db2.gz MVKCCXNGRWOPSX-UHFFFAOYSA-N -1 3 315.275 4.183 20 0 DIADHM CCSc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1 ZINC000446135222 338521402 /nfs/dbraw/zinc/52/14/02/338521402.db2.gz BPWJTQPUTUENLN-UHFFFAOYSA-N -1 3 316.813 4.356 20 0 DIADHM CCOc1cc(-c2noc(-c3ccc(Cl)cc3)n2)ccc1[O-] ZINC000445415547 337683126 /nfs/dbraw/zinc/68/31/26/337683126.db2.gz BVBCYAZZIRHNLE-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM CCOc1cc(-c2noc([C@H](C)c3cccc(C)c3)n2)ccc1[O-] ZINC000445428728 337728642 /nfs/dbraw/zinc/72/86/42/337728642.db2.gz WWJIJTBEZQLWER-CYBMUJFWSA-N -1 3 324.380 4.301 20 0 DIADHM CCOc1cc(-c2noc(-c3coc4ccccc34)n2)ccc1[O-] ZINC000445428855 337728645 /nfs/dbraw/zinc/72/86/45/337728645.db2.gz XSDACJWESHKQKH-UHFFFAOYSA-N -1 3 322.320 4.254 20 0 DIADHM COc1ccc(C(C)(C)NCc2cccc([O-])c2Cl)cc1F ZINC000527781222 337763676 /nfs/dbraw/zinc/76/36/76/337763676.db2.gz KFHLBTTVSOVELX-UHFFFAOYSA-N -1 3 323.795 4.218 20 0 DIADHM CSCc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[n-]1 ZINC000105653921 337810459 /nfs/dbraw/zinc/81/04/59/337810459.db2.gz CODZTRANEMCUHR-UHFFFAOYSA-N -1 3 316.451 4.131 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000533159143 337831978 /nfs/dbraw/zinc/83/19/78/337831978.db2.gz KZYXWZNABJFVSM-ZJUUUORDSA-N -1 3 323.726 4.066 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000533159427 337831980 /nfs/dbraw/zinc/83/19/80/337831980.db2.gz ZXVYTYUKUKSKFS-UHFFFAOYSA-N -1 3 319.763 4.317 20 0 DIADHM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccccc1[O-] ZINC000537135731 337895399 /nfs/dbraw/zinc/89/53/99/337895399.db2.gz PNGHQAHOKCEEGT-UHFFFAOYSA-N -1 3 316.426 4.457 20 0 DIADHM CN(C)c1ccccc1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000515262534 337984000 /nfs/dbraw/zinc/98/40/00/337984000.db2.gz VTFAEKQSYWIRDB-UHFFFAOYSA-N -1 3 319.817 4.201 20 0 DIADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1c1cccs1 ZINC000515390531 337987691 /nfs/dbraw/zinc/98/76/91/337987691.db2.gz CZTDZASNDGSEIJ-CQSZACIVSA-N -1 3 321.829 4.330 20 0 DIADHM O=C([N-]c1c(F)cccc1Br)c1ccc(Cl)o1 ZINC000084245267 338002099 /nfs/dbraw/zinc/00/20/99/338002099.db2.gz XYTCMNJWKICHJZ-UHFFFAOYSA-N -1 3 318.529 4.087 20 0 DIADHM COC(=O)c1cnc(S[C@@H](C)c2cccc3ccccc32)[n-]1 ZINC000516138254 338005004 /nfs/dbraw/zinc/00/50/04/338005004.db2.gz XVEIPKFQNDWHBU-NSHDSACASA-N -1 3 312.394 4.203 20 0 DIADHM O=c1[n-]c(-c2cncs2)nc2ccc(-c3ccccc3)cc12 ZINC000426137064 338020955 /nfs/dbraw/zinc/02/09/55/338020955.db2.gz NGIISUVZENIKHU-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM CCc1cc(C(=O)N[C@H]2CCc3sc(Cl)cc32)ccc1[O-] ZINC000426562493 338034637 /nfs/dbraw/zinc/03/46/37/338034637.db2.gz SRRGHEDKNRZOLJ-LBPRGKRZSA-N -1 3 321.829 4.087 20 0 DIADHM CCc1ccc(-c2ccc(CNCC[C@H](C)CC(=O)[O-])o2)cc1 ZINC000426652194 338037139 /nfs/dbraw/zinc/03/71/39/338037139.db2.gz QZQJNTLDFYSXGP-AWEZNQCLSA-N -1 3 315.413 4.100 20 0 DIADHM CCCc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426683190 338038011 /nfs/dbraw/zinc/03/80/11/338038011.db2.gz PIYJDMYLMPQQPR-MRXNPFEDSA-N -1 3 303.427 4.006 20 0 DIADHM O=C([O-])CCCCCNCc1ccc(-c2ccccc2)cc1F ZINC000426706714 338038706 /nfs/dbraw/zinc/03/87/06/338038706.db2.gz WJVCWMXNPBCBIG-UHFFFAOYSA-N -1 3 315.388 4.227 20 0 DIADHM Cc1cccc([C@@H](NCc2ccc(Cl)c(F)c2)C(=O)[O-])c1C ZINC000426716282 338038984 /nfs/dbraw/zinc/03/89/84/338038984.db2.gz LOTLITYLGVLQPO-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1ccc([C@@H](NCc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000426715257 338039027 /nfs/dbraw/zinc/03/90/27/338039027.db2.gz QMENSZKNRLKPJF-OAHLLOKOSA-N -1 3 324.207 4.217 20 0 DIADHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)c1 ZINC000426724647 338039368 /nfs/dbraw/zinc/03/93/68/338039368.db2.gz USHJWOFXFDWONL-MRXNPFEDSA-N -1 3 321.779 4.011 20 0 DIADHM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000426724391 338039387 /nfs/dbraw/zinc/03/93/87/338039387.db2.gz RZDHQYCUNACDPV-CXAGYDPISA-N -1 3 317.816 4.200 20 0 DIADHM Cc1cccc([C@H](NCc2ccc3ccccc3c2)C(=O)[O-])c1C ZINC000426731908 338039753 /nfs/dbraw/zinc/03/97/53/338039753.db2.gz QRWZJKPEXATQMQ-FQEVSTJZSA-N -1 3 319.404 4.372 20 0 DIADHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1 ZINC000426742060 338040172 /nfs/dbraw/zinc/04/01/72/338040172.db2.gz ILRDJELHBARFCR-BDJLRTHQSA-N -1 3 321.779 4.031 20 0 DIADHM CC(C)(C)CC[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426744193 338040382 /nfs/dbraw/zinc/04/03/82/338040382.db2.gz WCKGPPWLIAEILL-ZDUSSCGKSA-N -1 3 318.244 4.363 20 0 DIADHM CC(C)c1csc2[n-]c(-c3ccc4cc[nH]c4n3)nc(=O)c12 ZINC000429552551 338083673 /nfs/dbraw/zinc/08/36/73/338083673.db2.gz YHLYZKCADZUJRD-UHFFFAOYSA-N -1 3 310.382 4.064 20 0 DIADHM O=C([N-]c1cc(Cl)ccc1F)c1ncsc1C(F)(F)F ZINC000431030628 338120894 /nfs/dbraw/zinc/12/08/94/338120894.db2.gz PHWCMWBRGXUNKP-UHFFFAOYSA-N -1 3 324.686 4.207 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1cccs1 ZINC000431506470 338132795 /nfs/dbraw/zinc/13/27/95/338132795.db2.gz HITIRQCZLWYJEA-ZDUSSCGKSA-N -1 3 307.802 4.084 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCSc2ccccc21 ZINC000431786804 338138825 /nfs/dbraw/zinc/13/88/25/338138825.db2.gz FHYUAEQJBLMPTQ-UHFFFAOYSA-N -1 3 319.813 4.188 20 0 DIADHM CCc1noc(C)c1[N-]C(=O)c1c(Cl)cc(F)cc1Cl ZINC000432994373 338175674 /nfs/dbraw/zinc/17/56/74/338175674.db2.gz OGBUPHUKJKTOMJ-UHFFFAOYSA-N -1 3 317.147 4.244 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(SC)cc2)CC)n1 ZINC000435335281 338237125 /nfs/dbraw/zinc/23/71/25/338237125.db2.gz HCCCOIFHVZDSOQ-SDNWHVSQSA-N -1 3 314.454 4.395 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2sccc2OC)CC)n1 ZINC000435337417 338237351 /nfs/dbraw/zinc/23/73/51/338237351.db2.gz VVDSKVMRPSVWHL-LUAWRHEFSA-N -1 3 304.415 4.155 20 0 DIADHM CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC)c2)CC)n1 ZINC000435338357 338237368 /nfs/dbraw/zinc/23/73/68/338237368.db2.gz CBXAFDWJACTFGS-PTNGSMBKSA-N -1 3 312.413 4.072 20 0 DIADHM C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)cc2[O-])[C@H]1c1ccccc1 ZINC000435796755 338249652 /nfs/dbraw/zinc/24/96/52/338249652.db2.gz IPNSHSXYIVJHGT-JQAFLVLXSA-N -1 3 301.773 4.034 20 0 DIADHM Cc1ccc([C@@H](C)c2noc(/C=C/c3cccc([O-])c3)n2)cc1 ZINC000435949770 338253937 /nfs/dbraw/zinc/25/39/37/338253937.db2.gz TWYDMCYLFFDQRO-BMGYJQCNSA-N -1 3 306.365 4.406 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(Cc3ccccc3Cl)no2)c1 ZINC000435962285 338254404 /nfs/dbraw/zinc/25/44/04/338254404.db2.gz SIXLWUAHFRZYPQ-CMDGGOBGSA-N -1 3 312.756 4.190 20 0 DIADHM [O-]c1cccc(/C=C/c2nc(-c3cc4ccccc4o3)no2)c1 ZINC000435990684 338255294 /nfs/dbraw/zinc/25/52/94/338255294.db2.gz CAMXWWZIIUXOJR-CMDGGOBGSA-N -1 3 304.305 4.359 20 0 DIADHM CC(C)(C)c1noc(-c2c[n-]nc2-c2cc3ccccc3o2)n1 ZINC000436098442 338258278 /nfs/dbraw/zinc/25/82/78/338258278.db2.gz JYNQSGUWMFHIPG-UHFFFAOYSA-N -1 3 308.341 4.170 20 0 DIADHM COc1cccc([C@@H](C)CCCC(=O)Nc2ccccc2[O-])c1 ZINC000436424404 338272139 /nfs/dbraw/zinc/27/21/39/338272139.db2.gz ZRLIXJCKPIEOQU-AWEZNQCLSA-N -1 3 313.397 4.313 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)c([O-])c1C ZINC000436487717 338273905 /nfs/dbraw/zinc/27/39/05/338273905.db2.gz UBYBCCSBQFORQD-UHFFFAOYSA-N -1 3 321.779 4.074 20 0 DIADHM COc1cc(-c2noc(-c3ccc4c(c3)CCC=C4)n2)ccc1[O-] ZINC000436510992 338274740 /nfs/dbraw/zinc/27/47/40/338274740.db2.gz GCXVHYIAAQBQIH-UHFFFAOYSA-N -1 3 320.348 4.077 20 0 DIADHM CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])no1 ZINC000436516201 338274795 /nfs/dbraw/zinc/27/47/95/338274795.db2.gz XZOQFLCBTJLBKX-UHFFFAOYSA-N -1 3 302.374 4.053 20 0 DIADHM CC(C)c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)c([O-])c1 ZINC000436523535 338275122 /nfs/dbraw/zinc/27/51/22/338275122.db2.gz UJCPKEUJIVCWSI-UHFFFAOYSA-N -1 3 320.352 4.109 20 0 DIADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c([O-])c1C ZINC000436525592 338275153 /nfs/dbraw/zinc/27/51/53/338275153.db2.gz BNOFSBVBMSLYKH-GOSISDBHSA-N -1 3 324.424 4.162 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c([O-])c1 ZINC000436527317 338275248 /nfs/dbraw/zinc/27/52/48/338275248.db2.gz HWZBPHXRJWNXIU-HOTGVXAUSA-N -1 3 309.409 4.027 20 0 DIADHM [O-]c1ccc(-c2noc([C@@H]3C[C@]34CCCc3ccccc34)n2)cc1 ZINC000436530856 338275580 /nfs/dbraw/zinc/27/55/80/338275580.db2.gz GLHXJHQUPJBQQI-PXNSSMCTSA-N -1 3 318.376 4.204 20 0 DIADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)Cc1cccc(F)c1 ZINC000436537720 338275951 /nfs/dbraw/zinc/27/59/51/338275951.db2.gz YWSYAGTUNUSOBS-LBPRGKRZSA-N -1 3 312.344 4.003 20 0 DIADHM C[C@@H](CCc1ccccc1F)c1nc(-c2ccc([O-])cc2)no1 ZINC000436535906 338275977 /nfs/dbraw/zinc/27/59/77/338275977.db2.gz UNFKGMZBHRTKQE-LBPRGKRZSA-N -1 3 312.344 4.318 20 0 DIADHM CCCCN(CC(F)(F)F)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436544741 338276316 /nfs/dbraw/zinc/27/63/16/338276316.db2.gz KGYHNSXOHFBWEE-UHFFFAOYSA-N -1 3 317.351 4.320 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1C ZINC000436544518 338276347 /nfs/dbraw/zinc/27/63/47/338276347.db2.gz CZYZDERKNPJAKH-YOEHRIQHSA-N -1 3 309.409 4.027 20 0 DIADHM O=C(c1ccccc1[O-])N(Cc1ccc2ccccc2c1)C1CC1 ZINC000436546359 338276543 /nfs/dbraw/zinc/27/65/43/338276543.db2.gz OEKZSINFHSOSPE-UHFFFAOYSA-N -1 3 317.388 4.350 20 0 DIADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000436551758 338276702 /nfs/dbraw/zinc/27/67/02/338276702.db2.gz RZFRTKPDOFRWGB-UKPHBRMFSA-N -1 3 301.430 4.309 20 0 DIADHM CCOc1cc(-c2nc3c(cccc3C)[nH]2)cc(Cl)c1[O-] ZINC000436557403 338276862 /nfs/dbraw/zinc/27/68/62/338276862.db2.gz NUTKPVUUISYAIY-UHFFFAOYSA-N -1 3 302.761 4.296 20 0 DIADHM CCOc1cc(-c2nc3cccc(C)c3[nH]2)cc(Cl)c1[O-] ZINC000436557403 338276863 /nfs/dbraw/zinc/27/68/63/338276863.db2.gz NUTKPVUUISYAIY-UHFFFAOYSA-N -1 3 302.761 4.296 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(-c3nccs3)c2)c([O-])c1 ZINC000436564417 338277353 /nfs/dbraw/zinc/27/73/53/338277353.db2.gz OMYOLSARXLKQMK-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c1[O-] ZINC000436574467 338277825 /nfs/dbraw/zinc/27/78/25/338277825.db2.gz LZUAGFXQWXNJFB-SJCJKPOMSA-N -1 3 313.372 4.063 20 0 DIADHM Cc1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c([O-])c1 ZINC000436575031 338277860 /nfs/dbraw/zinc/27/78/60/338277860.db2.gz LVKHJSKWHBGMBS-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1[O-] ZINC000436575297 338278021 /nfs/dbraw/zinc/27/80/21/338278021.db2.gz NJGBLWMQBFBZOY-QGZVFWFLSA-N -1 3 313.372 4.207 20 0 DIADHM Cc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)c([O-])c1C ZINC000436580995 338278218 /nfs/dbraw/zinc/27/82/18/338278218.db2.gz DSHBEYXSPIFFEH-UHFFFAOYSA-N -1 3 320.348 4.396 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000436580103 338278250 /nfs/dbraw/zinc/27/82/50/338278250.db2.gz FDVWWZFKNCNVMY-HUUCEWRRSA-N -1 3 323.392 4.057 20 0 DIADHM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cccc(C)c1[O-] ZINC000436581828 338278333 /nfs/dbraw/zinc/27/83/33/338278333.db2.gz GBFNHLSCNPVZKK-KRWDZBQOSA-N -1 3 311.425 4.184 20 0 DIADHM C[C@@H]1CC[C@H](C)N1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436582481 338278353 /nfs/dbraw/zinc/27/83/53/338278353.db2.gz DMHMZUNTTAVTMH-OKILXGFUSA-N -1 3 311.381 4.198 20 0 DIADHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(C)ccc2[O-])cc1 ZINC000436589704 338278717 /nfs/dbraw/zinc/27/87/17/338278717.db2.gz QIEGEOBMEZDTNZ-UHFFFAOYSA-N -1 3 311.425 4.059 20 0 DIADHM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccccc1[O-] ZINC000436590216 338278765 /nfs/dbraw/zinc/27/87/65/338278765.db2.gz SCHLDMBNCDJUTJ-QGZVFWFLSA-N -1 3 311.425 4.184 20 0 DIADHM CCCCn1ncc(NC(=O)c2ccc(C)cc2[O-])c1C(C)C ZINC000436594634 338279050 /nfs/dbraw/zinc/27/90/50/338279050.db2.gz GAAASVLGWQSBFX-UHFFFAOYSA-N -1 3 315.417 4.073 20 0 DIADHM CCc1ccnc(-c2noc(-c3ccc(C(C)C)cc3[O-])n2)c1 ZINC000436594748 338279083 /nfs/dbraw/zinc/27/90/83/338279083.db2.gz GFKNNIRLJBJRGY-UHFFFAOYSA-N -1 3 309.369 4.190 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c([O-])c1C ZINC000436598430 338279289 /nfs/dbraw/zinc/27/92/89/338279289.db2.gz UDCKIQUTYJGKTE-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM CC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436606668 338279584 /nfs/dbraw/zinc/27/95/84/338279584.db2.gz DQWHUALOOLFUTC-NVXWUHKLSA-N -1 3 324.380 4.124 20 0 DIADHM CCCCCOCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436605061 338279602 /nfs/dbraw/zinc/27/96/02/338279602.db2.gz DWOFKDQOUXLRHV-UHFFFAOYSA-N -1 3 312.369 4.302 20 0 DIADHM O=C(c1ccccc1[O-])N1CCC[C@H]1CCCc1ccccc1 ZINC000436604990 338279611 /nfs/dbraw/zinc/27/96/11/338279611.db2.gz OZISXPDNXOSOCR-QGZVFWFLSA-N -1 3 309.409 4.020 20 0 DIADHM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436604457 338279631 /nfs/dbraw/zinc/27/96/31/338279631.db2.gz AORGJHPLAARXRJ-BDJLRTHQSA-N -1 3 312.369 4.329 20 0 DIADHM Cc1ncsc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436610705 338279709 /nfs/dbraw/zinc/27/97/09/338279709.db2.gz JTXGYENJUOLKSV-UHFFFAOYSA-N -1 3 309.350 4.027 20 0 DIADHM CCc1nc(C)c(-c2nc(-c3ccc([O-])c4ccccc34)no2)o1 ZINC000436609150 338279829 /nfs/dbraw/zinc/27/98/29/338279829.db2.gz IAQSJFQOCWGVJY-UHFFFAOYSA-N -1 3 321.336 4.121 20 0 DIADHM [O-]c1ccc(-c2noc(CCc3ccsc3)n2)c2ccccc12 ZINC000436613139 338279903 /nfs/dbraw/zinc/27/99/03/338279903.db2.gz OPZHKRPSTHBNIJ-UHFFFAOYSA-N -1 3 322.389 4.442 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc43)n2)c2ccccc12 ZINC000436613558 338280012 /nfs/dbraw/zinc/28/00/12/338280012.db2.gz RANHRVWRHAODJC-KRWDZBQOSA-N -1 3 314.344 4.283 20 0 DIADHM [O-]c1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)c2ccccc12 ZINC000436619328 338280289 /nfs/dbraw/zinc/28/02/89/338280289.db2.gz RCUSHOBHSNUIFB-JTQLQIEISA-N -1 3 316.307 4.498 20 0 DIADHM Cc1cccc([C@H](NC(=O)c2ccc([O-])c(C)c2)C(F)(F)F)c1 ZINC000436681105 338282613 /nfs/dbraw/zinc/28/26/13/338282613.db2.gz QTKUFYFIQHUXSY-HNNXBMFYSA-N -1 3 323.314 4.042 20 0 DIADHM Cc1cccc([C@@H](NC(=O)c2ccc([O-])c(C)c2)C(F)(F)F)c1 ZINC000436681106 338282628 /nfs/dbraw/zinc/28/26/28/338282628.db2.gz QTKUFYFIQHUXSY-OAHLLOKOSA-N -1 3 323.314 4.042 20 0 DIADHM CCCCN(C(=O)c1ccc([O-])c(OC)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000436704996 338283502 /nfs/dbraw/zinc/28/35/02/338283502.db2.gz LXNXZYDBPMWFTR-GDBMZVCRSA-N -1 3 319.445 4.222 20 0 DIADHM CCCCN(C(=O)c1cccc(OC)c1[O-])[C@@H]1CCC[C@H](C)C1 ZINC000436708117 338283612 /nfs/dbraw/zinc/28/36/12/338283612.db2.gz ULNFORMMEDLXJG-LSDHHAIUSA-N -1 3 319.445 4.222 20 0 DIADHM Cc1ccc(CN(C(=O)c2ccc(C)cc2[O-])C(C)C)s1 ZINC000436726259 338284390 /nfs/dbraw/zinc/28/43/90/338284390.db2.gz UWZSGUIQYHZIAP-UHFFFAOYSA-N -1 3 303.427 4.121 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000436732335 338284575 /nfs/dbraw/zinc/28/45/75/338284575.db2.gz CRRXHFLIZVAMJI-HOTGVXAUSA-N -1 3 301.430 4.166 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000436732334 338284711 /nfs/dbraw/zinc/28/47/11/338284711.db2.gz CRRXHFLIZVAMJI-CVEARBPZSA-N -1 3 301.430 4.166 20 0 DIADHM COc1cccc(-c2nc([C@H]3CCCC(C)(C)C3)no2)c1[O-] ZINC000436736891 338284759 /nfs/dbraw/zinc/28/47/59/338284759.db2.gz HTQNPAJOTPZARQ-NSHDSACASA-N -1 3 302.374 4.135 20 0 DIADHM CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccs2)c([O-])c1 ZINC000436745822 338285219 /nfs/dbraw/zinc/28/52/19/338285219.db2.gz DMVOYZWJGNNYHQ-MRXNPFEDSA-N -1 3 315.438 4.239 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000436752811 338285513 /nfs/dbraw/zinc/28/55/13/338285513.db2.gz YNJXHNZYRUXRHU-RDJZCZTQSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000436752810 338285537 /nfs/dbraw/zinc/28/55/37/338285537.db2.gz YNJXHNZYRUXRHU-NVXWUHKLSA-N -1 3 309.409 4.109 20 0 DIADHM Cc1ccc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)c([O-])c1C ZINC000436759894 338285932 /nfs/dbraw/zinc/28/59/32/338285932.db2.gz HXIUYQGJFFHREK-LBPRGKRZSA-N -1 3 319.351 4.120 20 0 DIADHM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccccc1[O-] ZINC000436759394 338285998 /nfs/dbraw/zinc/28/59/98/338285998.db2.gz AVCUHSHDLOSOBF-LLVKDONJSA-N -1 3 323.314 4.244 20 0 DIADHM Cc1ccc(C)c(SCc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436767137 338286378 /nfs/dbraw/zinc/28/63/78/338286378.db2.gz FNMKKDAOYWSYDN-UHFFFAOYSA-N -1 3 312.394 4.351 20 0 DIADHM C[C@@H](SCc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436765409 338286414 /nfs/dbraw/zinc/28/64/14/338286414.db2.gz ARHHNXLEAPPUIO-GFCCVEGCSA-N -1 3 312.394 4.437 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c([O-])c1C ZINC000436766474 338286439 /nfs/dbraw/zinc/28/64/39/338286439.db2.gz DRYHSHUMNLBZQU-GOSISDBHSA-N -1 3 323.436 4.104 20 0 DIADHM CSc1ccc(Cl)c(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436769072 338286565 /nfs/dbraw/zinc/28/65/65/338286565.db2.gz MRHOTFNRKJNWGK-UHFFFAOYSA-N -1 3 318.785 4.485 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1C ZINC000436783904 338287084 /nfs/dbraw/zinc/28/70/84/338287084.db2.gz NYZQSPHOIRQAMX-YJBOKZPZSA-N -1 3 323.436 4.417 20 0 DIADHM C[C@@H](CN(C)C(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000436786371 338287310 /nfs/dbraw/zinc/28/73/10/338287310.db2.gz YAYINWSQVBILOH-HNNXBMFYSA-N -1 3 323.436 4.147 20 0 DIADHM Cc1cccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1[O-] ZINC000436788938 338287492 /nfs/dbraw/zinc/28/74/92/338287492.db2.gz AEAHQKGSHSGGCR-QGZVFWFLSA-N -1 3 309.409 4.111 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c([O-])c1C ZINC000436797756 338287732 /nfs/dbraw/zinc/28/77/32/338287732.db2.gz HXEAUAXOSUBMKI-OAHLLOKOSA-N -1 3 303.446 4.297 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000436806148 338288000 /nfs/dbraw/zinc/28/80/00/338288000.db2.gz ZYONRGQXUXZIFJ-QGZVFWFLSA-N -1 3 313.372 4.071 20 0 DIADHM CC(C)c1ccc(C(=O)N(C)Cc2cccc3[nH]ccc32)c([O-])c1 ZINC000436821319 338288627 /nfs/dbraw/zinc/28/86/27/338288627.db2.gz KTTUOHVTNRMMOV-UHFFFAOYSA-N -1 3 322.408 4.269 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000436829528 338288983 /nfs/dbraw/zinc/28/89/83/338288983.db2.gz BHFURQAPALLCFU-KDOFPFPSSA-N -1 3 323.392 4.199 20 0 DIADHM CC[C@H]1CN(C(=O)c2cccc(C)c2[O-])CC[C@H]1c1ccccc1 ZINC000436833526 338289125 /nfs/dbraw/zinc/28/91/25/338289125.db2.gz JVGUHVVSQMGNPZ-FUHWJXTLSA-N -1 3 323.436 4.357 20 0 DIADHM CC[C@@H]1CN(C(=O)c2cccc(C)c2[O-])CC[C@@H]1c1ccccc1 ZINC000436833525 338289165 /nfs/dbraw/zinc/28/91/65/338289165.db2.gz JVGUHVVSQMGNPZ-AEFFLSMTSA-N -1 3 323.436 4.357 20 0 DIADHM CC[C@H]1CN(C(=O)c2cc(C)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000436833116 338289205 /nfs/dbraw/zinc/28/92/05/338289205.db2.gz IUZQLRIDCWZKIF-WMZOPIPTSA-N -1 3 323.436 4.357 20 0 DIADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])[C@H](C)Cc1ccsc1 ZINC000436838783 338289430 /nfs/dbraw/zinc/28/94/30/338289430.db2.gz LHTZFEUNODXYRF-CYBMUJFWSA-N -1 3 317.454 4.164 20 0 DIADHM CCc1ccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436854385 338289975 /nfs/dbraw/zinc/28/99/75/338289975.db2.gz FFOAAYVZCWNGPD-GFCCVEGCSA-N -1 3 310.353 4.145 20 0 DIADHM CCc1ccc(-c2nc(-c3cnc4ccsc4c3)no2)c([O-])c1 ZINC000436861925 338290370 /nfs/dbraw/zinc/29/03/70/338290370.db2.gz FZXCRTBSIOVGEG-UHFFFAOYSA-N -1 3 323.377 4.281 20 0 DIADHM COc1cc(/C=C/c2nc(C(C)(C)C)cs2)cc(OC)c1[O-] ZINC000436875658 338291180 /nfs/dbraw/zinc/29/11/80/338291180.db2.gz VTLFAMKOCXJLKU-VOTSOKGWSA-N -1 3 319.426 4.334 20 0 DIADHM COc1cc(-c2noc([C@H](F)CC3CCCCC3)n2)ccc1[O-] ZINC000436877176 338291361 /nfs/dbraw/zinc/29/13/61/338291361.db2.gz NIZRLOQYLMLTOO-CYBMUJFWSA-N -1 3 320.364 4.432 20 0 DIADHM Cc1ccc([O-])c(-c2nc(C3(c4cc(F)ccc4C)CC3)no2)c1 ZINC000436886750 338291681 /nfs/dbraw/zinc/29/16/81/338291681.db2.gz OFJNVHJCLMZZFN-UHFFFAOYSA-N -1 3 324.355 4.278 20 0 DIADHM Cc1ccc(-c2nc(Cc3ccccc3Cl)no2)c([O-])c1C ZINC000436885820 338291696 /nfs/dbraw/zinc/29/16/96/338291696.db2.gz FFOLPEVNZKUCBC-UHFFFAOYSA-N -1 3 314.772 4.303 20 0 DIADHM COc1cc(-c2noc(-c3cc(C)cc(Cl)c3)n2)ccc1[O-] ZINC000436888404 338291919 /nfs/dbraw/zinc/29/19/19/338291919.db2.gz RMBYOIRVIALGKZ-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM C[C@@H](CSc1ccccc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436890066 338292145 /nfs/dbraw/zinc/29/21/45/338292145.db2.gz AWOBFWPKWWFTOC-LBPRGKRZSA-N -1 3 312.394 4.338 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3Cl)no2)c([O-])c1C ZINC000436894755 338292384 /nfs/dbraw/zinc/29/23/84/338292384.db2.gz GPUILBAOAVYNNU-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM CCc1ccc([O-])c(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000436895823 338292425 /nfs/dbraw/zinc/29/24/25/338292425.db2.gz KDBYAWGKQDPMOZ-UHFFFAOYSA-N -1 3 300.745 4.325 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c([O-])c1 ZINC000436898829 338292460 /nfs/dbraw/zinc/29/24/60/338292460.db2.gz AEIBNSQWKSHMOG-MQNTZWLQSA-N -1 3 307.393 4.019 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c([O-])c1 ZINC000436898828 338292502 /nfs/dbraw/zinc/29/25/02/338292502.db2.gz AEIBNSQWKSHMOG-DVQDXYAYSA-N -1 3 307.393 4.019 20 0 DIADHM COc1cc(C)cc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)c1[O-] ZINC000436913621 338293244 /nfs/dbraw/zinc/29/32/44/338293244.db2.gz VSYCIFKGYRNIQA-PWSUYJOCSA-N -1 3 302.374 4.053 20 0 DIADHM COc1cc(C)cc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)c1[O-] ZINC000436913619 338293285 /nfs/dbraw/zinc/29/32/85/338293285.db2.gz VSYCIFKGYRNIQA-CMPLNLGQSA-N -1 3 302.374 4.053 20 0 DIADHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000436914456 338293295 /nfs/dbraw/zinc/29/32/95/338293295.db2.gz JGGXAQCIXITRFV-HNNXBMFYSA-N -1 3 323.392 4.057 20 0 DIADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000436923345 338293736 /nfs/dbraw/zinc/29/37/36/338293736.db2.gz BTPZMKGUPQZAQP-ZDUSSCGKSA-N -1 3 301.361 4.063 20 0 DIADHM Cc1cc(C(=O)N[C@H](CC(C)C)c2cccs2)ccc1[O-] ZINC000436927550 338293823 /nfs/dbraw/zinc/29/38/23/338293823.db2.gz SCCNWNACHPKCRE-CQSZACIVSA-N -1 3 303.427 4.279 20 0 DIADHM Cc1cccc(OCCCc2noc(-c3ccccc3[O-])n2)c1C ZINC000436927318 338293920 /nfs/dbraw/zinc/29/39/20/338293920.db2.gz OSMJHXGJOJPXIQ-UHFFFAOYSA-N -1 3 324.380 4.071 20 0 DIADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)ccc1[O-] ZINC000436928678 338293953 /nfs/dbraw/zinc/29/39/53/338293953.db2.gz WQQOUKHQYXNMKD-KZULUSFZSA-N -1 3 313.372 4.063 20 0 DIADHM COc1cc(C)cc(-c2nc([C@H](C)c3ccc(C)cc3)no2)c1[O-] ZINC000436932647 338294264 /nfs/dbraw/zinc/29/42/64/338294264.db2.gz OQFUVJNGFWNJMA-CYBMUJFWSA-N -1 3 324.380 4.219 20 0 DIADHM CCSCc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436936225 338294497 /nfs/dbraw/zinc/29/44/97/338294497.db2.gz MWJDIXLGALLHDQ-UHFFFAOYSA-N -1 3 301.411 4.206 20 0 DIADHM CC[C@@H](C)Oc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1 ZINC000436935842 338294513 /nfs/dbraw/zinc/29/45/13/338294513.db2.gz LZJCFEAAODKVTA-GFCCVEGCSA-N -1 3 310.353 4.287 20 0 DIADHM Cc1cccc(C(=O)N(Cc2ccccc2F)CC(C)C)c1[O-] ZINC000436938826 338294539 /nfs/dbraw/zinc/29/45/39/338294539.db2.gz KVKGSKZKJBTNQJ-UHFFFAOYSA-N -1 3 315.388 4.138 20 0 DIADHM CCSc1ccc([C@H](C)NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000436938110 338294624 /nfs/dbraw/zinc/29/46/24/338294624.db2.gz KDTIPEPSLZRNMC-ZDUSSCGKSA-N -1 3 315.438 4.304 20 0 DIADHM Cc1cc(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)ccc1[O-] ZINC000436939936 338294719 /nfs/dbraw/zinc/29/47/19/338294719.db2.gz SEFPDKWXSPYFOJ-KRWDZBQOSA-N -1 3 319.351 4.106 20 0 DIADHM Cc1cc(C(=O)N[C@@H](C)c2cc3ccccc3s2)ccc1[O-] ZINC000436939590 338294835 /nfs/dbraw/zinc/29/48/35/338294835.db2.gz OYYKZHBVIGRUBL-LBPRGKRZSA-N -1 3 311.406 4.406 20 0 DIADHM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(Cl)c2)c([O-])c1C ZINC000436951339 338295541 /nfs/dbraw/zinc/29/55/41/338295541.db2.gz RESULSPWZNFDLD-UHFFFAOYSA-N -1 3 321.779 4.074 20 0 DIADHM Cc1ccccc1C1=CCN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000436957820 338295862 /nfs/dbraw/zinc/29/58/62/338295862.db2.gz AQSSTHXGEYLODF-UHFFFAOYSA-N -1 3 321.420 4.363 20 0 DIADHM [O-]c1cc2c(cc1-c1nc(Cc3cccc(F)c3)no1)CCCC2 ZINC000436984198 338296846 /nfs/dbraw/zinc/29/68/46/338296846.db2.gz AFQSDNXXPUXPQA-UHFFFAOYSA-N -1 3 324.355 4.051 20 0 DIADHM Cc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c([O-])c1 ZINC000436994571 338297167 /nfs/dbraw/zinc/29/71/67/338297167.db2.gz NHCOAEONNUHKAR-UHFFFAOYSA-N -1 3 318.279 4.019 20 0 DIADHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccsc2Cl)cc1 ZINC000437676356 338318118 /nfs/dbraw/zinc/31/81/18/338318118.db2.gz AWHJARALBVMRHB-UHFFFAOYSA-N -1 3 315.847 4.326 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000438167641 338334596 /nfs/dbraw/zinc/33/45/96/338334596.db2.gz JIEAIBPYFNSVNI-UHFFFAOYSA-N -1 3 319.763 4.146 20 0 DIADHM COc1ccc([C@@H]2CCCN2Cc2c(F)ccc([O-])c2F)cc1 ZINC000438849321 338353816 /nfs/dbraw/zinc/35/38/16/338353816.db2.gz DRCJKADFGFGOQJ-INIZCTEOSA-N -1 3 319.351 4.016 20 0 DIADHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439093174 338360775 /nfs/dbraw/zinc/36/07/75/338360775.db2.gz GECBKAWBQYFLAB-LLVKDONJSA-N -1 3 321.779 4.392 20 0 DIADHM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000439097782 338360865 /nfs/dbraw/zinc/36/08/65/338360865.db2.gz NCALTEPYYBJHPB-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM CCC1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000448750051 338574223 /nfs/dbraw/zinc/57/42/23/338574223.db2.gz HRJNERMLEXCAQQ-UHFFFAOYSA-N -1 3 311.425 4.127 20 0 DIADHM CN1CCC[C@@H](NCc2cccc([O-])c2Cl)c2ccccc21 ZINC000449647485 338644126 /nfs/dbraw/zinc/64/41/26/338644126.db2.gz DNGOWSYOAIWODP-OAHLLOKOSA-N -1 3 316.832 4.107 20 0 DIADHM CC[C@@H]1CC[C@H](C)N1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000450373985 338680579 /nfs/dbraw/zinc/68/05/79/338680579.db2.gz BFWGFJRLEJPTPQ-WMLDXEAASA-N -1 3 311.425 4.268 20 0 DIADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000450514661 338688794 /nfs/dbraw/zinc/68/87/94/338688794.db2.gz DRCMPZNSEFADII-HZPDHXFCSA-N -1 3 313.372 4.444 20 0 DIADHM C[C@H]1CCN(C(=O)[C@@H]2CCCCC2(F)F)c2c([O-])cccc21 ZINC000450936730 338713236 /nfs/dbraw/zinc/71/32/36/338713236.db2.gz NGXMFCMDGQTDLE-AAEUAGOBSA-N -1 3 309.356 4.058 20 0 DIADHM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000195740191 338914823 /nfs/dbraw/zinc/91/48/23/338914823.db2.gz IUPCOAMJVXQGQC-MJGOQNOKSA-N -1 3 323.436 4.499 20 0 DIADHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000461438403 339063901 /nfs/dbraw/zinc/06/39/01/339063901.db2.gz XQXYTFJYRHJLBR-UHFFFAOYSA-N -1 3 321.417 4.133 20 0 DIADHM CC[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000461458539 339064148 /nfs/dbraw/zinc/06/41/48/339064148.db2.gz YCEIIIWBQUUPPL-CYBMUJFWSA-N -1 3 307.752 4.317 20 0 DIADHM Cc1noc([N-]C(=O)[C@H](Oc2ccccc2)c2ccccc2)c1C ZINC000461514907 339064653 /nfs/dbraw/zinc/06/46/53/339064653.db2.gz LNRPFWSRDKTBSX-QGZVFWFLSA-N -1 3 322.364 4.050 20 0 DIADHM Cc1noc([N-]C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c1C ZINC000461548445 339065024 /nfs/dbraw/zinc/06/50/24/339065024.db2.gz XTQSFQZSEJTJHR-CQSZACIVSA-N -1 3 316.401 4.129 20 0 DIADHM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000461684210 339065710 /nfs/dbraw/zinc/06/57/10/339065710.db2.gz JJDREOQVWCFJLM-QGZVFWFLSA-N -1 3 323.436 4.220 20 0 DIADHM CCc1ccc(CC)c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000464992780 339164795 /nfs/dbraw/zinc/16/47/95/339164795.db2.gz CESKDZVWTBUVKK-UHFFFAOYSA-N -1 3 309.369 4.047 20 0 DIADHM CCc1ccc(CC)c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000464992780 339164796 /nfs/dbraw/zinc/16/47/96/339164796.db2.gz CESKDZVWTBUVKK-UHFFFAOYSA-N -1 3 309.369 4.047 20 0 DIADHM O=C(Cc1cccc(C(F)F)c1)Nc1cc(Cl)ccc1[O-] ZINC000468407031 339262246 /nfs/dbraw/zinc/26/22/46/339262246.db2.gz BRYYKDQSKVCZRU-UHFFFAOYSA-N -1 3 311.715 4.164 20 0 DIADHM CC[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000468428627 339262704 /nfs/dbraw/zinc/26/27/04/339262704.db2.gz QWPHQDHIROHULH-HOCLYGCPSA-N -1 3 309.409 4.426 20 0 DIADHM CCc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468539805 339265756 /nfs/dbraw/zinc/26/57/56/339265756.db2.gz FPMCBOKZCULFQC-UHFFFAOYSA-N -1 3 301.361 4.055 20 0 DIADHM Cc1ccc(Cl)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468560161 339266464 /nfs/dbraw/zinc/26/64/64/339266464.db2.gz MCLTUCKYCYORCE-UHFFFAOYSA-N -1 3 321.779 4.455 20 0 DIADHM Cc1c(Cl)cccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000468574809 339266712 /nfs/dbraw/zinc/26/67/12/339266712.db2.gz DRZKHDVJCARGCF-UHFFFAOYSA-N -1 3 321.779 4.455 20 0 DIADHM CC(C)c1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000468634872 339267598 /nfs/dbraw/zinc/26/75/98/339267598.db2.gz JHXQLYCXYFPANA-UHFFFAOYSA-N -1 3 322.405 4.073 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCCC1 ZINC000468645755 339267911 /nfs/dbraw/zinc/26/79/11/339267911.db2.gz RSDUSRWEFNNOHO-QGZVFWFLSA-N -1 3 319.420 4.035 20 0 DIADHM CCCCS[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000468841563 339272285 /nfs/dbraw/zinc/27/22/85/339272285.db2.gz DXFKIIZAJXKTNQ-OLZOCXBDSA-N -1 3 307.459 4.154 20 0 DIADHM CCN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H]1CCCC[C@H]1C ZINC000469073158 339279307 /nfs/dbraw/zinc/27/93/07/339279307.db2.gz VJPCKRBNIHHIAE-RHSMWYFYSA-N -1 3 321.436 4.281 20 0 DIADHM Cc1ccccc1CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000469122571 339280787 /nfs/dbraw/zinc/28/07/87/339280787.db2.gz TYCPVZJYDAOMBM-HNNXBMFYSA-N -1 3 309.409 4.174 20 0 DIADHM Cc1cccc([C@H](C)C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000469231076 339283665 /nfs/dbraw/zinc/28/36/65/339283665.db2.gz NIGODAWXSDYPEY-GJZGRUSLSA-N -1 3 309.409 4.345 20 0 DIADHM C[C@H](CC(=O)N1CC[C@@H](C)c2cccc([O-])c21)c1ccccc1 ZINC000469296406 339285388 /nfs/dbraw/zinc/28/53/88/339285388.db2.gz QKHQYDPTLTZULI-HUUCEWRRSA-N -1 3 309.409 4.426 20 0 DIADHM C[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)c2c([O-])cccc21 ZINC000469309612 339285823 /nfs/dbraw/zinc/28/58/23/339285823.db2.gz VFNVPIXTKDMSBJ-JTQLQIEISA-N -1 3 319.763 4.339 20 0 DIADHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC2(CCCC2)CC1 ZINC000469371474 339287140 /nfs/dbraw/zinc/28/71/40/339287140.db2.gz NTZKSZBIPZYVDH-UHFFFAOYSA-N -1 3 319.420 4.037 20 0 DIADHM CC(C)(C)C1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000469383651 339287483 /nfs/dbraw/zinc/28/74/83/339287483.db2.gz KWIWSLRXQGQCQD-UHFFFAOYSA-N -1 3 321.436 4.139 20 0 DIADHM Cc1ccc(-c2cnc(NC(=O)c3cccc([O-])c3)s2)c(C)c1 ZINC000470615390 339323147 /nfs/dbraw/zinc/32/31/47/339323147.db2.gz VYGQWVBUNXNTHD-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1cc([O-])cc(F)c1 ZINC000472046483 339360566 /nfs/dbraw/zinc/36/05/66/339360566.db2.gz DYHKSEUUKXROAF-ZMZPIMSZSA-N -1 3 303.352 4.084 20 0 DIADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1C(F)(F)F ZINC000472050518 339360796 /nfs/dbraw/zinc/36/07/96/339360796.db2.gz ZXIMLINPOSQKRP-SNVBAGLBSA-N -1 3 313.294 4.401 20 0 DIADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cc2cccc(F)c2o1 ZINC000473987224 339396295 /nfs/dbraw/zinc/39/62/95/339396295.db2.gz CURJSBCNAHNPOD-JTQLQIEISA-N -1 3 303.308 4.267 20 0 DIADHM Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C ZINC000477400634 339494007 /nfs/dbraw/zinc/49/40/07/339494007.db2.gz BGUISUOPNUSEFO-RGEXLXHISA-N -1 3 316.404 4.170 20 0 DIADHM O=C(CSCCCCc1ccccc1)Nc1ccccc1[O-] ZINC000479153201 339528191 /nfs/dbraw/zinc/52/81/91/339528191.db2.gz AVOXJETYVYEAKD-UHFFFAOYSA-N -1 3 315.438 4.087 20 0 DIADHM O=C([N-]c1ccc(F)c(F)c1F)c1coc(C2CCCCC2)n1 ZINC000485748464 339712149 /nfs/dbraw/zinc/71/21/49/339712149.db2.gz ZJPCMKILSXOHRI-UHFFFAOYSA-N -1 3 324.302 4.392 20 0 DIADHM CC(C)(CC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)C1CC1 ZINC000486093503 339720905 /nfs/dbraw/zinc/72/09/05/339720905.db2.gz HQLFADYFRXGQEM-UHFFFAOYSA-N -1 3 301.308 4.176 20 0 DIADHM CCc1cc(C(=O)Nc2ccc(C)c(OC(F)F)c2)ccc1[O-] ZINC000486485001 339728175 /nfs/dbraw/zinc/72/81/75/339728175.db2.gz FRDXKBIAMSHILM-UHFFFAOYSA-N -1 3 321.323 4.117 20 0 DIADHM CCc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1[O-] ZINC000487372350 339752309 /nfs/dbraw/zinc/75/23/09/339752309.db2.gz AKLOKCVRFBPTSN-GFCCVEGCSA-N -1 3 309.365 4.192 20 0 DIADHM COc1cccc(C)c1NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000487502608 339755153 /nfs/dbraw/zinc/75/51/53/339755153.db2.gz MCQNQOSXDKDIDR-UHFFFAOYSA-N -1 3 320.801 4.452 20 0 DIADHM Cc1cc2c([n-]c(-c3cc(C)c4ccccc4n3)nc2=O)s1 ZINC000487521016 339755515 /nfs/dbraw/zinc/75/55/15/339755515.db2.gz UMTHRDRFFLGTEO-UHFFFAOYSA-N -1 3 307.378 4.229 20 0 DIADHM CCc1cc(C(=O)N(C)C/C(C)=C/c2ccccc2)ccc1[O-] ZINC000487630767 339759720 /nfs/dbraw/zinc/75/97/20/339759720.db2.gz PBCCTTDIODNZOM-NTCAYCPXSA-N -1 3 309.409 4.130 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccc([O-])cc1F ZINC000488922280 339797014 /nfs/dbraw/zinc/79/70/14/339797014.db2.gz VWJVDVKNLSDVBV-OLZOCXBDSA-N -1 3 313.372 4.459 20 0 DIADHM O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)c(F)cc1Cl ZINC000490646627 339836401 /nfs/dbraw/zinc/83/64/01/339836401.db2.gz ABKWBSGYAHXOQS-UHFFFAOYSA-N -1 3 318.106 4.230 20 0 DIADHM C[C@H](CCCc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000490902619 339843360 /nfs/dbraw/zinc/84/33/60/339843360.db2.gz WADMSXCEWXJCNA-MRXNPFEDSA-N -1 3 323.436 4.330 20 0 DIADHM Cc1ccc([O-])c(CN[C@@H](C)c2cc(Cl)ccc2Cl)n1 ZINC000494228804 339944211 /nfs/dbraw/zinc/94/42/11/339944211.db2.gz 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/nfs/dbraw/zinc/16/61/71/340166171.db2.gz OGFQTJVQZORTMC-LBPRGKRZSA-N -1 3 317.360 4.062 20 0 DIADHM CN(Cc1ccc(Cl)s1)Cc1c(F)ccc([O-])c1F ZINC000507002026 340205116 /nfs/dbraw/zinc/20/51/16/340205116.db2.gz NZONUMDWEWGIRD-UHFFFAOYSA-N -1 3 303.761 4.017 20 0 DIADHM COc1cccc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)c1 ZINC000507076912 340206605 /nfs/dbraw/zinc/20/66/05/340206605.db2.gz IHMAFFSSXAIJDX-INIZCTEOSA-N -1 3 317.816 4.391 20 0 DIADHM [O-]c1ccc(F)c(CN2CCC[C@H]2c2ccc(F)cc2)c1F ZINC000507079117 340206708 /nfs/dbraw/zinc/20/67/08/340206708.db2.gz VAMKWKWZKMXBSE-HNNXBMFYSA-N -1 3 307.315 4.147 20 0 DIADHM Cc1cccc(CN(Cc2ccco2)Cc2nc(C)ccc2[O-])c1 ZINC000507193903 340212352 /nfs/dbraw/zinc/21/23/52/340212352.db2.gz VOBCSEIEULJSHS-UHFFFAOYSA-N -1 3 322.408 4.199 20 0 DIADHM Cc1ccnc(-c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000507708070 340229179 /nfs/dbraw/zinc/22/91/79/340229179.db2.gz MJKDKPFNJJFTTB-UHFFFAOYSA-N -1 3 319.389 4.434 20 0 DIADHM CC[C@H]1CCc2c(sc3[n-]c(-c4ccco4)nc(=O)c23)C1 ZINC000507722162 340229579 /nfs/dbraw/zinc/22/95/79/340229579.db2.gz IRKODMDBRBRQLS-VIFPVBQESA-N -1 3 300.383 4.172 20 0 DIADHM CCCN(Cc1nc(C)ccc1[O-])[C@H](C)c1ccccc1OC ZINC000508610671 340248080 /nfs/dbraw/zinc/24/80/80/340248080.db2.gz YNYHCRGJVGNCQD-OAHLLOKOSA-N -1 3 314.429 4.077 20 0 DIADHM CCCN(Cc1cccc([O-])c1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000508718433 340251360 /nfs/dbraw/zinc/25/13/60/340251360.db2.gz LEMLAULSOYEAEN-IAOVAPTHSA-N -1 3 323.864 4.071 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@H]2c2ccc(Cl)cc2)c1F ZINC000508771133 340252567 /nfs/dbraw/zinc/25/25/67/340252567.db2.gz CDTUXJYNULPONE-AWEZNQCLSA-N -1 3 309.743 4.271 20 0 DIADHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000508976069 340256755 /nfs/dbraw/zinc/25/67/55/340256755.db2.gz DCHVJOGMCKKLDK-VIFPVBQESA-N -1 3 310.180 4.190 20 0 DIADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(Cl)c1Cl ZINC000508976068 340256759 /nfs/dbraw/zinc/25/67/59/340256759.db2.gz DCHVJOGMCKKLDK-SECBINFHSA-N -1 3 310.180 4.190 20 0 DIADHM O=C(c1cccc([O-])c1)N(CCc1ccccc1)c1ccccc1 ZINC000509085215 340260835 /nfs/dbraw/zinc/26/08/35/340260835.db2.gz XEEJGBMRYRJKHF-UHFFFAOYSA-N -1 3 317.388 4.282 20 0 DIADHM CC(C)N(Cc1cccs1)C(=O)Cc1ccc([O-])cc1Cl ZINC000509099108 340261351 /nfs/dbraw/zinc/26/13/51/340261351.db2.gz STYAXYSJFWNPPQ-UHFFFAOYSA-N -1 3 323.845 4.087 20 0 DIADHM CC[C@H]1CN(C(=O)c2cccc([O-])c2)CC[C@H]1c1ccccc1 ZINC000509129171 340262010 /nfs/dbraw/zinc/26/20/10/340262010.db2.gz JFXWYRQMVPZFHV-HNAYVOBHSA-N -1 3 309.409 4.048 20 0 DIADHM O=C(NC1c2ccccc2Oc2ccccc21)c1cccc([O-])c1 ZINC000509338370 340266650 /nfs/dbraw/zinc/26/66/50/340266650.db2.gz QDQVVKYOMSVMHO-UHFFFAOYSA-N -1 3 317.344 4.017 20 0 DIADHM [O-]c1ccc(F)c(CNc2cccc(CC(F)(F)F)c2)c1F ZINC000509498196 340271460 /nfs/dbraw/zinc/27/14/60/340271460.db2.gz FVINFTFDBYRFBN-UHFFFAOYSA-N -1 3 317.257 4.387 20 0 DIADHM Cc1ccc(NCc2c(F)ccc([O-])c2F)cc1-c1ncco1 ZINC000509503544 340271604 /nfs/dbraw/zinc/27/16/04/340271604.db2.gz NZGHXHXDLIYWEY-UHFFFAOYSA-N -1 3 316.307 4.246 20 0 DIADHM CCCc1sc(C(=O)Nc2ccc([O-])cc2F)cc1CC ZINC000509558911 340273550 /nfs/dbraw/zinc/27/35/50/340273550.db2.gz OZUDNXJAJSDZSG-UHFFFAOYSA-N -1 3 307.390 4.360 20 0 DIADHM Cc1nc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)oc1C ZINC000303044278 340297637 /nfs/dbraw/zinc/29/76/37/340297637.db2.gz WXCGEWKEAUFIIM-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000511540095 340330050 /nfs/dbraw/zinc/33/00/50/340330050.db2.gz YVPKSOGGYMHZOM-UWVGGRQHSA-N -1 3 323.305 4.129 20 0 DIADHM [O-]c1ccc(F)c(CNC[C@@H]2CCCC[C@H]2C(F)(F)F)c1F ZINC000511564946 340330803 /nfs/dbraw/zinc/33/08/03/340330803.db2.gz RFEGGZNUHLUMOX-GXSJLCMTSA-N -1 3 323.305 4.129 20 0 DIADHM CCC(CC)c1cc(C(=O)[N-]c2ncc(C(C)C)s2)on1 ZINC000303986505 340358048 /nfs/dbraw/zinc/35/80/48/340358048.db2.gz ZSPIKQWVBUFXHT-UHFFFAOYSA-N -1 3 307.419 4.410 20 0 DIADHM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cccc([O-])c1Cl ZINC000512677210 340372580 /nfs/dbraw/zinc/37/25/80/340372580.db2.gz HTPKDTKFHQKYIZ-ONGXEEELSA-N -1 3 307.743 4.208 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(Cl)c3ncccc23)c([O-])c1 ZINC000512909676 340383694 /nfs/dbraw/zinc/38/36/94/340383694.db2.gz COZPIBDTVYHULL-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1ccc(Cl)c2ncccc12 ZINC000513638760 340416501 /nfs/dbraw/zinc/41/65/01/340416501.db2.gz VNSJDRSFJWLOSW-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM Cc1cccc([O-])c1NC(=O)CSc1ccc(Cl)cc1 ZINC000183043303 340486212 /nfs/dbraw/zinc/48/62/12/340486212.db2.gz BWHIQADOABCAGY-UHFFFAOYSA-N -1 3 307.802 4.085 20 0 DIADHM Cc1cccc([O-])c1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000183063192 340486306 /nfs/dbraw/zinc/48/63/06/340486306.db2.gz LHFISOIHIXXOAR-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM [O-]c1cc(F)cc(CN[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000185619259 340503516 /nfs/dbraw/zinc/50/35/16/340503516.db2.gz NWXMRENWRFYNTF-MRXNPFEDSA-N -1 3 321.779 4.188 20 0 DIADHM [O-]c1cc(F)cc(CN[C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000185619173 340503519 /nfs/dbraw/zinc/50/35/19/340503519.db2.gz GMQJSTUAXAVILV-MRXNPFEDSA-N -1 3 321.779 4.188 20 0 DIADHM C[C@H]1CCN(C(=O)c2ccc3c(c2)CCC3)c2c([O-])cccc21 ZINC000186253808 340509909 /nfs/dbraw/zinc/50/99/09/340509909.db2.gz GSYYIPOYYBCBOG-ZDUSSCGKSA-N -1 3 307.393 4.035 20 0 DIADHM C[C@H]1CCN(C(=O)c2cccn2C2CCCC2)c2c([O-])cccc21 ZINC000186286265 340510677 /nfs/dbraw/zinc/51/06/77/340510677.db2.gz RECLOSUGFWKSHY-AWEZNQCLSA-N -1 3 324.424 4.463 20 0 DIADHM O=C(c1ccccc1[O-])N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000220114357 340514428 /nfs/dbraw/zinc/51/44/28/340514428.db2.gz IOLFRSDJUPWOQI-SFHVURJKSA-N -1 3 307.393 4.074 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(C)c1 ZINC000195451927 340579987 /nfs/dbraw/zinc/57/99/87/340579987.db2.gz UUQUDSUVMFVZGY-UHFFFAOYSA-N -1 3 311.353 4.042 20 0 DIADHM Cc1ccc2oc([N-][C@@H](c3nccn3C)c3ccccc3)nc2c1 ZINC000522271397 340596213 /nfs/dbraw/zinc/59/62/13/340596213.db2.gz ASOQGPJDMIPQDR-QGZVFWFLSA-N -1 3 318.380 4.071 20 0 DIADHM Cc1ccc(NC(=O)c2ccc(-c3ccsc3)nc2C)c([O-])c1 ZINC000523159983 340617243 /nfs/dbraw/zinc/61/72/43/340617243.db2.gz YHTWSCFIFWFDFG-UHFFFAOYSA-N -1 3 324.405 4.385 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1Cl ZINC000525309753 340699702 /nfs/dbraw/zinc/69/97/02/340699702.db2.gz CMBZKFVEYBTVDH-UHFFFAOYSA-N -1 3 316.209 4.103 20 0 DIADHM Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1[O-] ZINC000325944794 340710053 /nfs/dbraw/zinc/71/00/53/340710053.db2.gz ZUXCXOCYNWRTLH-UHFFFAOYSA-N -1 3 317.388 4.220 20 0 DIADHM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[O-])c1ccco1 ZINC000528901131 340738317 /nfs/dbraw/zinc/73/83/17/340738317.db2.gz HWLDVRURWCBLPU-VIFPVBQESA-N -1 3 313.275 4.136 20 0 DIADHM O=C(Nc1ccccc1[O-])[C@@H](Oc1ccccc1)c1ccccc1 ZINC000127487280 340851735 /nfs/dbraw/zinc/85/17/35/340851735.db2.gz KVNOLRPALDWSMU-IBGZPJMESA-N -1 3 319.360 4.151 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000128237729 340862437 /nfs/dbraw/zinc/86/24/37/340862437.db2.gz CYFJPSKXBLRDGI-UHFFFAOYSA-N -1 3 319.335 4.355 20 0 DIADHM O=C(Nc1cccc([O-])c1F)c1cc(Cl)ccc1Cl ZINC000128275527 340864810 /nfs/dbraw/zinc/86/48/10/340864810.db2.gz UFBZNQORPBYYGT-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC(=O)Nc1ccc(-c2csc(-c3ccccc3[O-])n2)cc1 ZINC000068945886 340942286 /nfs/dbraw/zinc/94/22/86/340942286.db2.gz RAOUSKYTBGGWFN-UHFFFAOYSA-N -1 3 310.378 4.141 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1[O-] ZINC000541891394 340987676 /nfs/dbraw/zinc/98/76/76/340987676.db2.gz WKFGCUURBSRDJH-SWNWVQGVSA-N -1 3 321.420 4.273 20 0 DIADHM Cc1cc(C(=O)[N-]c2cc(Cl)ccc2SC(C)C)ncn1 ZINC000130057036 340995168 /nfs/dbraw/zinc/99/51/68/340995168.db2.gz JCFHZGRKQWSWER-UHFFFAOYSA-N -1 3 321.833 4.191 20 0 DIADHM CCc1cccc(-c2nc(Cc3ccccc3Cl)no2)c1[O-] ZINC000542708138 341018422 /nfs/dbraw/zinc/01/84/22/341018422.db2.gz SZPWDUZUYSFOBD-UHFFFAOYSA-N -1 3 314.772 4.249 20 0 DIADHM CCCc1nc(C(=O)[N-]c2ccccc2SC(C)C)co1 ZINC000544680545 341090950 /nfs/dbraw/zinc/09/09/50/341090950.db2.gz STMHMCHRLXSMOK-UHFFFAOYSA-N 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CC(C)Oc1ccc(NC(=O)c2cc([O-])ccc2Cl)c(F)c1 ZINC000555635135 341487690 /nfs/dbraw/zinc/48/76/90/341487690.db2.gz YWBUDQJCMBIBLN-UHFFFAOYSA-N -1 3 323.751 4.224 20 0 DIADHM CC1(C2CC2)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000565254980 341521582 /nfs/dbraw/zinc/52/15/82/341521582.db2.gz RKKUEOQKUVZBEA-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM Cc1ccccc1[C@@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000565355209 341524925 /nfs/dbraw/zinc/52/49/25/341524925.db2.gz ZPPPJQUQYNEOQT-LBPRGKRZSA-N -1 3 303.789 4.486 20 0 DIADHM COc1cc(-c2nc3ccc(Cl)cc3n2C)cc(Cl)c1[O-] ZINC000565753055 341537145 /nfs/dbraw/zinc/53/71/45/341537145.db2.gz XQZCBKIBDPVOKL-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000566886647 341570794 /nfs/dbraw/zinc/57/07/94/341570794.db2.gz WLIORXBEFYYFLL-PVXIVEMSSA-N -1 3 307.821 4.086 20 0 DIADHM CCOc1cc(-c2nc3cc(Cl)cnc3[nH]2)cc(Cl)c1[O-] ZINC000154709843 341594968 /nfs/dbraw/zinc/59/49/68/341594968.db2.gz GMRBBQHGAJROPY-UHFFFAOYSA-N 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316.228 4.070 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@@H]1CC1CCC1 ZINC001167602340 1038770137 /nfs/dbraw/zinc/77/01/37/1038770137.db2.gz HEDJUHWZPKLJLN-CYBMUJFWSA-N -1 3 307.821 4.231 20 0 DIADHM O=C([N-]c1c(F)cc(F)cc1F)c1cc2cccc(F)c2o1 ZINC000608557525 1038881105 /nfs/dbraw/zinc/88/11/05/1038881105.db2.gz QSPWPYAPMXTFOW-UHFFFAOYSA-N -1 3 309.218 4.242 20 0 DIADHM Cc1nc(C(F)(F)F)c(Nc2cc(F)c([O-])c(F)c2)s1 ZINC001213373298 1038917276 /nfs/dbraw/zinc/91/72/76/1038917276.db2.gz BWUBTYUIGMOEIT-UHFFFAOYSA-N -1 3 310.247 4.198 20 0 DIADHM Cc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)cs1 ZINC000343027386 1039111012 /nfs/dbraw/zinc/11/10/12/1039111012.db2.gz XHDKALPWZGYFKT-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM [O-]c1c(F)cc(Nc2ccccc2Br)cc1F ZINC001213379296 1039200247 /nfs/dbraw/zinc/20/02/47/1039200247.db2.gz MHNPACDDXHWWOB-UHFFFAOYSA-N -1 3 300.102 4.177 20 0 DIADHM Cc1ccsc1CN(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000583446369 1039328392 /nfs/dbraw/zinc/32/83/92/1039328392.db2.gz 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CC[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000564738702 1041405617 /nfs/dbraw/zinc/40/56/17/1041405617.db2.gz MNTIKBLICYWWTR-DZGCQCFKSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)c1ncccc1F ZINC000810805709 1041443787 /nfs/dbraw/zinc/44/37/87/1041443787.db2.gz JAGRMPJTWPSABH-SSDOTTSWSA-N -1 3 324.764 4.335 20 0 DIADHM O=C(OC[C@H]1CCCSC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810878536 1041454952 /nfs/dbraw/zinc/45/49/52/1041454952.db2.gz XOOMQPBWMKLJKD-MRVPVSSYSA-N -1 3 315.847 4.183 20 0 DIADHM C[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)C(F)(F)F ZINC000811393640 1041514510 /nfs/dbraw/zinc/51/45/10/1041514510.db2.gz BRUDDUOBHOXIEA-YFKPBYRVSA-N -1 3 311.712 4.238 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])C1(C(F)(F)F)CCCC1 ZINC000416183286 1041539945 /nfs/dbraw/zinc/53/99/45/1041539945.db2.gz XUSPXOWRFWFDJV-UHFFFAOYSA-N -1 3 307.699 4.107 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C2CC2)cc1 ZINC000416286722 1041556696 /nfs/dbraw/zinc/55/66/96/1041556696.db2.gz BPLMNHCTPUMXOA-LLVKDONJSA-N -1 3 315.800 4.414 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccccc2)s1 ZINC000042199813 1041587817 /nfs/dbraw/zinc/58/78/17/1041587817.db2.gz NKQGNZVKFBDSBN-UHFFFAOYSA-N -1 3 316.332 4.341 20 0 DIADHM Cc1c(Cl)cccc1-c1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001244961999 1041671756 /nfs/dbraw/zinc/67/17/56/1041671756.db2.gz ILOLKMAMJZJJMJ-UHFFFAOYSA-N -1 3 304.724 4.413 20 0 DIADHM CN(CCC1CCCCC1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000584785710 1041673340 /nfs/dbraw/zinc/67/33/40/1041673340.db2.gz OTEYBGWHDRVEBD-UHFFFAOYSA-N -1 3 309.837 4.440 20 0 DIADHM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1ncccc1[O-] ZINC000584831736 1041686520 /nfs/dbraw/zinc/68/65/20/1041686520.db2.gz NAWGPVQWVVVFMW-SNVBAGLBSA-N -1 3 311.212 4.287 20 0 DIADHM CC(C)c1ccc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c([O-])c1 ZINC000651442477 1041693452 /nfs/dbraw/zinc/69/34/52/1041693452.db2.gz YXWBONUSYYOHPF-CYBMUJFWSA-N -1 3 316.401 4.238 20 0 DIADHM CC(C)(C)OC(=O)c1cncc(-c2cc(Cl)ccc2[O-])c1 ZINC001245050326 1041717292 /nfs/dbraw/zinc/71/72/92/1041717292.db2.gz FJDVWKFYORMUAU-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM COc1ccc(C(F)(F)F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245080114 1041736004 /nfs/dbraw/zinc/73/60/04/1041736004.db2.gz YWSPJTJFTJQMCW-UHFFFAOYSA-N -1 3 303.667 4.135 20 0 DIADHM CSc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000014871262 1041773173 /nfs/dbraw/zinc/77/31/73/1041773173.db2.gz YUHBWSBTYVBAFD-UHFFFAOYSA-N -1 3 321.467 4.135 20 0 DIADHM Fc1ccccc1[N-]c1nnc(SCc2ccncc2)s1 ZINC000047221550 1041820227 /nfs/dbraw/zinc/82/02/27/1041820227.db2.gz OTOWEBAEALGKRZ-UHFFFAOYSA-N -1 3 318.402 4.108 20 0 DIADHM CC(F)(F)C(=O)[N-][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000815107550 1041919305 /nfs/dbraw/zinc/91/93/05/1041919305.db2.gz BIPSSCBYCBDGGH-LBPRGKRZSA-N -1 3 315.772 4.262 20 0 DIADHM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001135306085 1042008612 /nfs/dbraw/zinc/00/86/12/1042008612.db2.gz GJKZEVVVNASPPN-UHFFFAOYSA-N -1 3 319.788 4.232 20 0 DIADHM COc1c(F)cc(Nc2nc3c(cccc3[O-])s2)cc1F ZINC001211674536 1042010086 /nfs/dbraw/zinc/01/00/86/1042010086.db2.gz LWRDDJBKWIYQOW-UHFFFAOYSA-N -1 3 308.309 4.032 20 0 DIADHM CCN(Cc1ccoc1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000652400810 1042038033 /nfs/dbraw/zinc/03/80/33/1042038033.db2.gz SYVUKQNTHUKQFO-GFCCVEGCSA-N -1 3 313.353 4.307 20 0 DIADHM O=C(NCCc1cccc(-c2ccccc2)c1)c1ccccc1[O-] ZINC001167787866 1042071118 /nfs/dbraw/zinc/07/11/18/1042071118.db2.gz SMKGWQOHBNWJEC-UHFFFAOYSA-N -1 3 317.388 4.032 20 0 DIADHM COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1F ZINC000254706232 1042094826 /nfs/dbraw/zinc/09/48/26/1042094826.db2.gz MCIDZPFBPCTTND-UHFFFAOYSA-N -1 3 324.149 4.053 20 0 DIADHM C[C@H](CC(=O)[N-]OCCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817379625 1042105176 /nfs/dbraw/zinc/10/51/76/1042105176.db2.gz VLBMBUBYNJGLHL-LLVKDONJSA-N -1 3 315.335 4.047 20 0 DIADHM O=C(NCc1coc2ccccc12)c1cc2sccc2c([O-])c1 ZINC000817446421 1042110446 /nfs/dbraw/zinc/11/04/46/1042110446.db2.gz OEIIXYDWNKFEPK-UHFFFAOYSA-N -1 3 323.373 4.283 20 0 DIADHM O=C(Nc1cccc(C2CC2)n1)c1cc2sccc2c([O-])c1 ZINC000817780854 1042126050 /nfs/dbraw/zinc/12/60/50/1042126050.db2.gz DKSHHGDKJKCFOB-UHFFFAOYSA-N -1 3 310.378 4.132 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC2(C1)CCCCC2 ZINC000818057607 1042139798 /nfs/dbraw/zinc/13/97/98/1042139798.db2.gz UPTXZPAZPQJANQ-UHFFFAOYSA-N -1 3 301.411 4.013 20 0 DIADHM O=C(Nc1ccc2ncccc2c1)c1cc2c(cc1[O-])CCCC2 ZINC001136250865 1042192518 /nfs/dbraw/zinc/19/25/18/1042192518.db2.gz MCUCQACZDGXOSZ-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc([O-])ccc1Cl ZINC001167823209 1042205105 /nfs/dbraw/zinc/20/51/05/1042205105.db2.gz LPCDUVNSRRYZBY-KRWDZBQOSA-N -1 3 315.800 4.161 20 0 DIADHM Nc1nc2ccc(Nc3c(Cl)ccc([O-])c3F)cc2s1 ZINC001159821654 1042217494 /nfs/dbraw/zinc/21/74/94/1042217494.db2.gz AAOUPBGNYUJVHH-UHFFFAOYSA-N -1 3 309.753 4.120 20 0 DIADHM C/C(=C\C(=O)Nc1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000820510778 1042219102 /nfs/dbraw/zinc/21/91/02/1042219102.db2.gz RUOZFUKMZSPDCJ-MDZDMXLPSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1ccc(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c([O-])c1 ZINC001136448006 1042251571 /nfs/dbraw/zinc/25/15/71/1042251571.db2.gz PAFYGZIFGVCZOL-KRWDZBQOSA-N -1 3 309.409 4.243 20 0 DIADHM CCc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c([O-])c1 ZINC001136488517 1042261671 /nfs/dbraw/zinc/26/16/71/1042261671.db2.gz PQOXQQRSXBIURQ-HYVNUMGLSA-N -1 3 317.473 4.393 20 0 DIADHM CCc1ccc(C(=O)NC[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c([O-])c1 ZINC001136488518 1042261683 /nfs/dbraw/zinc/26/16/83/1042261683.db2.gz PQOXQQRSXBIURQ-PVAVHDDUSA-N -1 3 317.473 4.393 20 0 DIADHM CC[C@@H](N[C@H](C)c1nc(C)cc(=O)[n-]1)c1ccc(Cl)s1 ZINC000279045008 1042263076 /nfs/dbraw/zinc/26/30/76/1042263076.db2.gz GJSTYWYALVKTRC-NXEZZACHSA-N -1 3 311.838 4.007 20 0 DIADHM CC[C@@H](CNC(=O)c1cc(SC)ccc1[O-])c1ccccc1 ZINC001136514030 1042269879 /nfs/dbraw/zinc/26/98/79/1042269879.db2.gz RZSIHEGKSBLFRZ-ZDUSSCGKSA-N -1 3 315.438 4.038 20 0 DIADHM COC1(c2noc(-c3cc4ccccc4cc3[O-])n2)CCCCC1 ZINC000326505225 1042276011 /nfs/dbraw/zinc/27/60/11/1042276011.db2.gz QNNVWADINHRXTG-UHFFFAOYSA-N -1 3 324.380 4.401 20 0 DIADHM CCCc1cc(C(=O)[N-]c2ccccc2SC(F)F)no1 ZINC000822264699 1042279933 /nfs/dbraw/zinc/27/99/33/1042279933.db2.gz CGQGHPGEIUJPCX-UHFFFAOYSA-N -1 3 312.341 4.194 20 0 DIADHM Cc1ccc(C(=O)N(Cc2ccco2)c2ccccc2)c([O-])c1C ZINC001136612615 1042296047 /nfs/dbraw/zinc/29/60/47/1042296047.db2.gz PNPSYLHFJQYDJP-UHFFFAOYSA-N -1 3 321.376 4.449 20 0 DIADHM C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000110228495 1042401832 /nfs/dbraw/zinc/40/18/32/1042401832.db2.gz DPMUTCJLWXDTDN-MRXNPFEDSA-N -1 3 323.436 4.245 20 0 DIADHM CC(C)COC[C@@H](N[C@H](C)c1cc([O-])cc(F)c1)c1ccco1 ZINC000924889000 1042487651 /nfs/dbraw/zinc/48/76/51/1042487651.db2.gz JGPBAMWVOCVSTQ-CXAGYDPISA-N -1 3 321.392 4.189 20 0 DIADHM CC(C)(C)c1ccncc1CNCc1cccc([O-])c1Cl ZINC000414497448 1042624077 /nfs/dbraw/zinc/62/40/77/1042624077.db2.gz KSKPWFTXWZQMTM-UHFFFAOYSA-N -1 3 304.821 4.028 20 0 DIADHM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000032098464 1042789767 /nfs/dbraw/zinc/78/97/67/1042789767.db2.gz DTCNWLVLDIXPDM-UHFFFAOYSA-N -1 3 303.427 4.002 20 0 DIADHM CCOc1ccc([N-]c2nonc2C2CC2)c(C(F)(F)F)c1 ZINC001213234354 1042909003 /nfs/dbraw/zinc/90/90/03/1042909003.db2.gz OOBJXKCTWREEAW-UHFFFAOYSA-N -1 3 313.279 4.108 20 0 DIADHM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1cccc([O-])c1F ZINC000519516334 1042952683 /nfs/dbraw/zinc/95/26/83/1042952683.db2.gz OMAWHOKJGKGPMI-CHWSQXEVSA-N -1 3 313.372 4.459 20 0 DIADHM CCc1cccc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)c1[O-] ZINC001167972009 1042963596 /nfs/dbraw/zinc/96/35/96/1042963596.db2.gz HGMRDNJUROOSKU-HXUWFJFHSA-N -1 3 309.409 4.010 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC000794873241 1043141911 /nfs/dbraw/zinc/14/19/11/1043141911.db2.gz YMQKNFCDDWXDTH-ZDUSSCGKSA-N -1 3 320.458 4.103 20 0 DIADHM O=C(Nc1ccc(C2CCC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000427985085 1043319528 /nfs/dbraw/zinc/31/95/28/1043319528.db2.gz PBUINAPIIYRLLY-UHFFFAOYSA-N -1 3 318.376 4.048 20 0 DIADHM O=C(CCCCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001295972315 1043396875 /nfs/dbraw/zinc/39/68/75/1043396875.db2.gz NCGKJSSBDUZVHW-UHFFFAOYSA-N -1 3 303.789 4.397 20 0 DIADHM COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872017671 1043418920 /nfs/dbraw/zinc/41/89/20/1043418920.db2.gz CMWXYBNABXUYAX-STQMWFEESA-N -1 3 303.377 4.260 20 0 DIADHM COc1ccc([C@@H](C)N[C@@H](C)c2cccc([O-])c2F)cc1F ZINC000872018909 1043421184 /nfs/dbraw/zinc/42/11/84/1043421184.db2.gz QXKLSJFQZOVLDZ-MNOVXSKESA-N -1 3 307.340 4.091 20 0 DIADHM CCC(CC)c1cc(CN[C@@H](C)c2cccc([O-])c2F)on1 ZINC000872038417 1043431296 /nfs/dbraw/zinc/43/12/96/1043431296.db2.gz LMXAUAVLGLUSLV-NSHDSACASA-N -1 3 306.381 4.274 20 0 DIADHM C[C@@H](NCc1ccccc1OCC1CC1)c1cccc([O-])c1F ZINC000872037848 1043431610 /nfs/dbraw/zinc/43/16/10/1043431610.db2.gz IUEZNPVCHUIZOT-CYBMUJFWSA-N -1 3 315.388 4.171 20 0 DIADHM C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1cccc([O-])c1F ZINC000872057858 1043441313 /nfs/dbraw/zinc/44/13/13/1043441313.db2.gz JKSMVAUPPGBOGS-NHYWBVRUSA-N -1 3 319.351 4.235 20 0 DIADHM COC[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc(Cl)cc1 ZINC000872066104 1043445760 /nfs/dbraw/zinc/44/57/60/1043445760.db2.gz DYOXBELFESGAFN-IAQYHMDHSA-N -1 3 323.795 4.223 20 0 DIADHM Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872064318 1043446171 /nfs/dbraw/zinc/44/61/71/1043446171.db2.gz XVNXTIXPISRMCU-NEPJUHHUSA-N -1 3 319.424 4.203 20 0 DIADHM CSc1cccc(F)c1CN[C@H](C)c1cccc([O-])c1F ZINC000872069158 1043448112 /nfs/dbraw/zinc/44/81/12/1043448112.db2.gz LPIYHVKHQIXESU-SNVBAGLBSA-N -1 3 309.381 4.243 20 0 DIADHM C[C@H](N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cccc([O-])c1F ZINC000872074362 1043449130 /nfs/dbraw/zinc/44/91/30/1043449130.db2.gz DEZLIYYKJLTUJL-TYNCELHUSA-N -1 3 301.361 4.094 20 0 DIADHM O=C(CC1CCC(F)(F)CC1)Nc1ccc(Cl)cc1[O-] ZINC000626277926 1043547284 /nfs/dbraw/zinc/54/72/84/1043547284.db2.gz XTXPDHFNVNFWNH-UHFFFAOYSA-N -1 3 303.736 4.200 20 0 DIADHM CSc1cc(NC(=O)c2cccc(C)c2[O-])ccc1Cl ZINC001299379701 1043549544 /nfs/dbraw/zinc/54/95/44/1043549544.db2.gz MNBIRCZEUCTMBV-UHFFFAOYSA-N -1 3 307.802 4.328 20 0 DIADHM CC(C)(C)c1nsc([N-]C(=O)c2sccc2C(F)F)n1 ZINC000874328783 1043579384 /nfs/dbraw/zinc/57/93/84/1043579384.db2.gz KMZSSQCXCXSTRG-UHFFFAOYSA-N -1 3 317.386 4.087 20 0 DIADHM COc1cc(-c2nc3cc(Cl)ccc3n2C)cc(Cl)c1[O-] ZINC000558720543 1043580895 /nfs/dbraw/zinc/58/08/95/1043580895.db2.gz UDGUDITXEUATOC-UHFFFAOYSA-N -1 3 323.179 4.261 20 0 DIADHM C[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cc([O-])cc(F)c1 ZINC000926493955 1043586828 /nfs/dbraw/zinc/58/68/28/1043586828.db2.gz YPYLUTIRLXWJFK-TZMCWYRMSA-N -1 3 301.361 4.208 20 0 DIADHM C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cc([O-])cc(F)c1 ZINC000926493948 1043587252 /nfs/dbraw/zinc/58/72/52/1043587252.db2.gz YPYLUTIRLXWJFK-GXTWGEPZSA-N -1 3 301.361 4.208 20 0 DIADHM CSc1ccccc1CN(C)Cc1c(F)ccc([O-])c1F ZINC000353256652 1043594554 /nfs/dbraw/zinc/59/45/54/1043594554.db2.gz IHRKTICWLGPAJL-UHFFFAOYSA-N -1 3 309.381 4.024 20 0 DIADHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001226939535 1043633727 /nfs/dbraw/zinc/63/37/27/1043633727.db2.gz IZAXCGLENNXPJB-ZETCQYMHSA-N -1 3 301.198 4.212 20 0 DIADHM O=C(Nc1cnn(C2CCCC2)c1)c1cc([O-])c2ccccc2c1 ZINC000928792404 1043776774 /nfs/dbraw/zinc/77/67/74/1043776774.db2.gz DXISQIAOSDFMPW-UHFFFAOYSA-N -1 3 321.380 4.109 20 0 DIADHM Cc1c2ccc(F)cc2sc1C(=O)Nc1nc(C)ccc1[O-] ZINC000355877487 1043791522 /nfs/dbraw/zinc/79/15/22/1043791522.db2.gz GTCDKNLJNXQYAS-UHFFFAOYSA-N -1 3 316.357 4.010 20 0 DIADHM CCC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878344907 1043873310 /nfs/dbraw/zinc/87/33/10/1043873310.db2.gz HWGPYPULQVKUET-INIZCTEOSA-N -1 3 323.396 4.073 20 0 DIADHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000014255375 1043916002 /nfs/dbraw/zinc/91/60/02/1043916002.db2.gz PINZENGGYXDIPJ-UHFFFAOYSA-N -1 3 317.454 4.303 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000014257167 1043916678 /nfs/dbraw/zinc/91/66/78/1043916678.db2.gz JDBNLIZRKVOFIM-UHFFFAOYSA-N -1 3 317.454 4.482 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000626404563 1043936352 /nfs/dbraw/zinc/93/63/52/1043936352.db2.gz HMGOBTCRXNSUBR-GZKZCVOOSA-N -1 3 307.393 4.019 20 0 DIADHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2coc(C)c2)cc1 ZINC000187246042 1044215355 /nfs/dbraw/zinc/21/53/55/1044215355.db2.gz HHZWTVOJCXOMHI-SJCJKPOMSA-N -1 3 324.380 4.063 20 0 DIADHM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783412 1044244696 /nfs/dbraw/zinc/24/46/96/1044244696.db2.gz ZXBHPBNEHPEMNH-ZUZCIYMTSA-N -1 3 316.228 4.241 20 0 DIADHM COCCCCc1cccnc1NCc1cccc([O-])c1Cl ZINC000293127599 1044251230 /nfs/dbraw/zinc/25/12/30/1044251230.db2.gz ZOBMALKXMVRHMH-UHFFFAOYSA-N -1 3 320.820 4.022 20 0 DIADHM COc1ccc(C2CC2)cc1CN[C@H](C)c1cccc([O-])c1F ZINC000883267038 1044255678 /nfs/dbraw/zinc/25/56/78/1044255678.db2.gz RGBBUQNNLVVKMT-GFCCVEGCSA-N -1 3 315.388 4.268 20 0 DIADHM [O-]c1cccc(CN[C@@H]2CCCOc3ccccc32)c1Cl ZINC000293545719 1044299097 /nfs/dbraw/zinc/29/90/97/1044299097.db2.gz KPLVAUDOFQGNMH-CQSZACIVSA-N -1 3 303.789 4.049 20 0 DIADHM CC(C)Oc1ccccc1CNCc1cccc([O-])c1Cl ZINC000293668354 1044309720 /nfs/dbraw/zinc/30/97/20/1044309720.db2.gz UPHZKJKZSVWGPN-UHFFFAOYSA-N -1 3 305.805 4.123 20 0 DIADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H](C)c1ccc(F)cc1 ZINC000564218168 1044357968 /nfs/dbraw/zinc/35/79/68/1044357968.db2.gz SDYLQVWWRNLARN-GFCCVEGCSA-N -1 3 305.349 4.008 20 0 DIADHM C[C@H](CC(=O)Nc1c([O-])cccc1Cl)Cc1cccc(F)c1 ZINC000564399778 1044374885 /nfs/dbraw/zinc/37/48/85/1044374885.db2.gz UVSHAINQIHFCCA-NSHDSACASA-N -1 3 321.779 4.392 20 0 DIADHM CCSCc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000565402245 1044432003 /nfs/dbraw/zinc/43/20/03/1044432003.db2.gz JARWHXDFUXFYSJ-UHFFFAOYSA-N -1 3 305.374 4.037 20 0 DIADHM C[C@H](SCc1noc(-c2ccccc2[O-])n1)c1cccs1 ZINC000133859003 1044459655 /nfs/dbraw/zinc/45/96/55/1044459655.db2.gz UGTTZQAKNRBNBR-JTQLQIEISA-N -1 3 318.423 4.498 20 0 DIADHM C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCC(F)CC1 ZINC001149052072 1044484775 /nfs/dbraw/zinc/48/47/75/1044484775.db2.gz ZJJXEQBTBCBLAN-XSRFYTQQSA-N -1 3 321.417 4.254 20 0 DIADHM O=C(CCCSc1ccc(Cl)cc1)[N-]OC1CCCC1 ZINC000135136360 1044540855 /nfs/dbraw/zinc/54/08/55/1044540855.db2.gz OVPGIQBHGFMVAR-UHFFFAOYSA-N -1 3 313.850 4.203 20 0 DIADHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3Cl)s2)S1 ZINC000216771005 1044571286 /nfs/dbraw/zinc/57/12/86/1044571286.db2.gz CWCBCYJEHUENLD-KPKJPENVSA-N -1 3 321.810 4.392 20 0 DIADHM CC[C@@]1(C)CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000568066042 1044601878 /nfs/dbraw/zinc/60/18/78/1044601878.db2.gz OABBMKWUYJGMOK-HIFRSBDPSA-N -1 3 316.228 4.241 20 0 DIADHM C[C@H]1c2ccccc2CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001137225328 1044606577 /nfs/dbraw/zinc/60/65/77/1044606577.db2.gz LHJGXOPMJPUMPU-AWEZNQCLSA-N -1 3 317.388 4.305 20 0 DIADHM CCS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000048675250 1044611491 /nfs/dbraw/zinc/61/14/91/1044611491.db2.gz CCOHVMPCGIIFEE-MRVPVSSYSA-N -1 3 306.412 4.059 20 0 DIADHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000368216005 1044771551 /nfs/dbraw/zinc/77/15/51/1044771551.db2.gz PHPVNMYLBDXWDN-JOCQHMNTSA-N -1 3 315.800 4.030 20 0 DIADHM CCN(Cc1c[nH]c2ccccc12)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000571571051 1044819090 /nfs/dbraw/zinc/81/90/90/1044819090.db2.gz NOCABWGQECPPRT-GFCCVEGCSA-N -1 3 312.369 4.042 20 0 DIADHM CSCc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000524638685 1044893096 /nfs/dbraw/zinc/89/30/96/1044893096.db2.gz XUHGGDDXPIJHIK-UHFFFAOYSA-N -1 3 301.411 4.124 20 0 DIADHM C[C@H]1CCc2sc(C(=O)Nc3c([O-])cccc3Cl)cc2C1 ZINC000573349174 1044902625 /nfs/dbraw/zinc/90/26/25/1044902625.db2.gz GICLTWIBMBQYBV-VIFPVBQESA-N -1 3 321.829 4.484 20 0 DIADHM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000573511625 1044911561 /nfs/dbraw/zinc/91/15/61/1044911561.db2.gz FMJMPIQNMAPVPA-OAHLLOKOSA-N -1 3 315.388 4.375 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000524746121 1044913448 /nfs/dbraw/zinc/91/34/48/1044913448.db2.gz DUTNBHQVLRSEMS-UHFFFAOYSA-N -1 3 320.348 4.140 20 0 DIADHM CN(C(=O)c1cc([O-])ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000575737203 1045002413 /nfs/dbraw/zinc/00/24/13/1045002413.db2.gz RTWQCWFHEHRVPO-QGZVFWFLSA-N -1 3 315.800 4.195 20 0 DIADHM CCOc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)cc1F ZINC000447130527 1045099961 /nfs/dbraw/zinc/09/99/61/1045099961.db2.gz WERFODOTFXEVEI-UHFFFAOYSA-N -1 3 318.735 4.194 20 0 DIADHM C[C@@H](OC1CCCCCC1)C(=O)Nc1c([O-])cccc1Cl ZINC000557182553 1045152730 /nfs/dbraw/zinc/15/27/30/1045152730.db2.gz WWFJZQKSKKGKBR-LLVKDONJSA-N -1 3 311.809 4.112 20 0 DIADHM Cc1ccc(C[C@H](C)NC(=O)c2cc([O-])ccc2Cl)c(C)c1 ZINC000578806695 1045273068 /nfs/dbraw/zinc/27/30/68/1045273068.db2.gz MICZFNNPCTXXRY-ZDUSSCGKSA-N -1 3 317.816 4.023 20 0 DIADHM O=C([O-])CCCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000578995166 1045287337 /nfs/dbraw/zinc/28/73/37/1045287337.db2.gz BMLDEBXHGDOGKU-CQSZACIVSA-N -1 3 318.442 4.078 20 0 DIADHM O=C([O-])CCCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000578995165 1045287640 /nfs/dbraw/zinc/28/76/40/1045287640.db2.gz BMLDEBXHGDOGKU-AWEZNQCLSA-N -1 3 318.442 4.078 20 0 DIADHM Cc1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000019627474 1045337230 /nfs/dbraw/zinc/33/72/30/1045337230.db2.gz PNHFHRCVCUOVEE-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CCOc1cc(CNc2ccc(COC)cc2)cc(Cl)c1[O-] ZINC000076275333 1045345857 /nfs/dbraw/zinc/34/58/57/1045345857.db2.gz LUZSOSUBIFHLKB-UHFFFAOYSA-N -1 3 321.804 4.203 20 0 DIADHM CCCN(C(=O)c1c(C)cccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000626503833 1045347924 /nfs/dbraw/zinc/34/79/24/1045347924.db2.gz JPQUVXVATHQUOD-MRXNPFEDSA-N -1 3 324.424 4.025 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCCc3c(F)cccc32)c1Cl ZINC000449349075 1045379960 /nfs/dbraw/zinc/37/99/60/1045379960.db2.gz IJXINJUERALOJL-HNNXBMFYSA-N -1 3 305.780 4.352 20 0 DIADHM O=c1[n-]c([C@@H]2CCCCS2)nc2cc(-c3ccccc3)oc21 ZINC001120773530 1045545873 /nfs/dbraw/zinc/54/58/73/1045545873.db2.gz RNWKULPCUGKVHY-AWEZNQCLSA-N -1 3 312.394 4.141 20 0 DIADHM Nc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)c([O-])c1 ZINC000750842545 1045562523 /nfs/dbraw/zinc/56/25/23/1045562523.db2.gz RLRSQQPFFCXEED-UHFFFAOYSA-N -1 3 318.332 4.126 20 0 DIADHM CC[C@H](NCc1c([O-])ccc(Cl)c1F)c1c(C)noc1C ZINC000191489661 1045716665 /nfs/dbraw/zinc/71/66/65/1045716665.db2.gz UMASPJXYAUNTOE-LBPRGKRZSA-N -1 3 312.772 4.030 20 0 DIADHM Cc1ccc([O-])c(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000530958257 1045758432 /nfs/dbraw/zinc/75/84/32/1045758432.db2.gz DSGNCDWOSHRXJD-UHFFFAOYSA-N -1 3 307.393 4.173 20 0 DIADHM C[C@@H](CC1CCCCC1)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000901623654 1045778191 /nfs/dbraw/zinc/77/81/91/1045778191.db2.gz SXOXTMMDRMTJCN-HNAYVOBHSA-N -1 3 315.457 4.277 20 0 DIADHM C[C@H](CC1CCCCC1)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000901623650 1045780049 /nfs/dbraw/zinc/78/00/49/1045780049.db2.gz SXOXTMMDRMTJCN-BEFAXECRSA-N -1 3 315.457 4.277 20 0 DIADHM CCCC[C@@H](CC)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000901622558 1045780078 /nfs/dbraw/zinc/78/00/78/1045780078.db2.gz OQLIFKUUTDEMTC-QAPCUYQASA-N -1 3 303.446 4.277 20 0 DIADHM CC(C)=CCC[C@H](C)CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000901646145 1045783326 /nfs/dbraw/zinc/78/33/26/1045783326.db2.gz JCVFZRHPOUSITF-HNNXBMFYSA-N -1 3 301.430 4.473 20 0 DIADHM CC(C)C[C@]1(C)CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000452506630 1045822707 /nfs/dbraw/zinc/82/27/07/1045822707.db2.gz DZRXTBDCCZVHKC-IBGZPJMESA-N -1 3 321.436 4.281 20 0 DIADHM C[C@H](NC1CCC2(CCCCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000901908206 1045869977 /nfs/dbraw/zinc/86/99/77/1045869977.db2.gz QNGMWPPPBBPXHA-LBPRGKRZSA-N -1 3 322.474 4.385 20 0 DIADHM C[C@H](NC1CCC(C(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000901910757 1045870513 /nfs/dbraw/zinc/87/05/13/1045870513.db2.gz HTZLGOLEVOFAJO-UNXYVOJBSA-N -1 3 310.463 4.097 20 0 DIADHM CC(C)[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000902087359 1045909907 /nfs/dbraw/zinc/90/99/07/1045909907.db2.gz BMALPRKIHFQPGV-AWEZNQCLSA-N -1 3 307.777 4.118 20 0 DIADHM C[C@H](CCCC(C)(C)C(=O)[O-])NCc1c(F)cccc1Cl ZINC000902097534 1045911177 /nfs/dbraw/zinc/91/11/77/1045911177.db2.gz KAXKKBKVULPSJO-LLVKDONJSA-N -1 3 315.816 4.238 20 0 DIADHM O=C(OCc1ccc2ccccc2n1)c1cc(Cl)c(Cl)[n-]1 ZINC000828629379 1045923086 /nfs/dbraw/zinc/92/30/86/1045923086.db2.gz MMLMIPBLNLOESY-UHFFFAOYSA-N -1 3 321.163 4.227 20 0 DIADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902137031 1045923797 /nfs/dbraw/zinc/92/37/97/1045923797.db2.gz YXWNXSLINFKDCX-NSHDSACASA-N -1 3 315.335 4.026 20 0 DIADHM CCC(CC)[C@H](NCc1ccoc1C(=O)[O-])c1cccs1 ZINC000902162669 1045927296 /nfs/dbraw/zinc/92/72/96/1045927296.db2.gz NFCDGCFLJOZGFO-AWEZNQCLSA-N -1 3 307.415 4.306 20 0 DIADHM CC(C)Oc1ccc([C@H](C)NCc2csc(C(=O)[O-])c2)cc1 ZINC000902174984 1045930057 /nfs/dbraw/zinc/93/00/57/1045930057.db2.gz CYSAZSDUILZSDM-LBPRGKRZSA-N -1 3 319.426 4.084 20 0 DIADHM O=C([O-])c1occc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000902226287 1045952355 /nfs/dbraw/zinc/95/23/55/1045952355.db2.gz VZRGDDKXRHQVDK-HNNXBMFYSA-N -1 3 319.788 4.262 20 0 DIADHM CCc1nc([C@@H](C)N[C@@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902252844 1045957534 /nfs/dbraw/zinc/95/75/34/1045957534.db2.gz MLXYIYHYOPDELS-NWDGAFQWSA-N -1 3 312.479 4.026 20 0 DIADHM CCc1nc([C@@H](C)N[C@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902252846 1045957589 /nfs/dbraw/zinc/95/75/89/1045957589.db2.gz MLXYIYHYOPDELS-VXGBXAGGSA-N -1 3 312.479 4.026 20 0 DIADHM CCc1nc([C@H](C)N[C@H](C)CCCC(C)(C)C(=O)[O-])cs1 ZINC000902252843 1045957983 /nfs/dbraw/zinc/95/79/83/1045957983.db2.gz MLXYIYHYOPDELS-NEPJUHHUSA-N -1 3 312.479 4.026 20 0 DIADHM Cc1ccccc1C1(NCc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000902271252 1045961299 /nfs/dbraw/zinc/96/12/99/1045961299.db2.gz OMAFJABADJZNQD-UHFFFAOYSA-N -1 3 315.800 4.126 20 0 DIADHM Cc1ccc(CC2CCN(C(=O)c3c(C)cccc3[O-])CC2)cc1 ZINC001137803250 1045970369 /nfs/dbraw/zinc/97/03/69/1045970369.db2.gz MFTRJOMZJHKHOY-UHFFFAOYSA-N -1 3 323.436 4.104 20 0 DIADHM C[C@@H]1C[C@H]1[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000902326936 1045974297 /nfs/dbraw/zinc/97/42/97/1045974297.db2.gz YCHGIAJVVHUDFG-VCTAVGKDSA-N -1 3 319.788 4.118 20 0 DIADHM CCc1oc(CN[C@@H](c2cccc(C)c2)C(C)C)cc1C(=O)[O-] ZINC000902339751 1045981382 /nfs/dbraw/zinc/98/13/82/1045981382.db2.gz XJXUOGMZYQMDSF-GOSISDBHSA-N -1 3 315.413 4.336 20 0 DIADHM O=C([O-])c1occc1CNC1(c2cccc(Cl)c2)CCCC1 ZINC000902377379 1045986412 /nfs/dbraw/zinc/98/64/12/1045986412.db2.gz DXJWPGBREOGICV-UHFFFAOYSA-N -1 3 319.788 4.190 20 0 DIADHM CC(C)CCC1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000902410558 1045992352 /nfs/dbraw/zinc/99/23/52/1045992352.db2.gz RSZIIVYNTNXGOW-BQYQJAHWSA-N -1 3 305.418 4.026 20 0 DIADHM CC(C)c1ccc(C(C)(C)NCc2ccoc2C(=O)[O-])cc1 ZINC000902473645 1046002162 /nfs/dbraw/zinc/00/21/62/1046002162.db2.gz DRDKJALTORVRNU-UHFFFAOYSA-N -1 3 301.386 4.126 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCC(C)(C)C(=O)[O-] ZINC000902509888 1046009157 /nfs/dbraw/zinc/00/91/57/1046009157.db2.gz KTEBBKWFSUXPKF-JTQLQIEISA-N -1 3 318.244 4.487 20 0 DIADHM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc(CC(C)(C)C)s1 ZINC000830199609 1046049521 /nfs/dbraw/zinc/04/95/21/1046049521.db2.gz FVZNZGVQSBEXLA-UHFFFAOYSA-N -1 3 321.446 4.404 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c([O-])c1 ZINC001138021151 1046060042 /nfs/dbraw/zinc/06/00/42/1046060042.db2.gz XHLHPCHBARBOSW-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1C(F)(F)F ZINC001138017017 1046060642 /nfs/dbraw/zinc/06/06/42/1046060642.db2.gz ZDXAKUWULQIBGJ-UHFFFAOYSA-N -1 3 313.250 4.111 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2ccccc2)c1 ZINC001138048719 1046072009 /nfs/dbraw/zinc/07/20/09/1046072009.db2.gz KHAMSPRORKLQSZ-SFHVURJKSA-N -1 3 309.409 4.322 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c([O-])c1 ZINC001138098098 1046089363 /nfs/dbraw/zinc/08/93/63/1046089363.db2.gz KTYCSYJFXFATSD-CQSZACIVSA-N -1 3 323.436 4.324 20 0 DIADHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](C)c3ccccc32)cc1[O-] ZINC001138105964 1046092984 /nfs/dbraw/zinc/09/29/84/1046092984.db2.gz AEEYCAKKOJXXQT-CYBMUJFWSA-N -1 3 323.392 4.139 20 0 DIADHM CC[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cn1 ZINC000803048185 1046121590 /nfs/dbraw/zinc/12/15/90/1046121590.db2.gz HVQSYRLRZMUOPH-ZDUSSCGKSA-N -1 3 304.346 4.072 20 0 DIADHM [O-]c1cccnc1CN1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001138394301 1046162007 /nfs/dbraw/zinc/16/20/07/1046162007.db2.gz NAQXGVBPJVIOPI-LLVKDONJSA-N -1 3 323.223 4.084 20 0 DIADHM CC[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])[C@H]1C ZINC001138452023 1046187272 /nfs/dbraw/zinc/18/72/72/1046187272.db2.gz LQTBBMWKKFDOSV-MAUKXSAKSA-N -1 3 323.436 4.244 20 0 DIADHM CCCc1nc(C(=O)[N-]c2ccccc2SC(F)F)co1 ZINC000758800534 1046291767 /nfs/dbraw/zinc/29/17/67/1046291767.db2.gz UPTLCLYRXCKEIB-UHFFFAOYSA-N -1 3 312.341 4.194 20 0 DIADHM Cc1cc(=O)[n-]c(CS[C@H]2CCc3cc(Cl)ccc32)n1 ZINC000795367754 1046299376 /nfs/dbraw/zinc/29/93/76/1046299376.db2.gz GOZFYLWCKBARCN-ZDUSSCGKSA-N -1 3 306.818 4.065 20 0 DIADHM CCOc1ccccc1[C@@H](CC)NCc1ccc(C(=O)[O-])s1 ZINC000903677694 1046300532 /nfs/dbraw/zinc/30/05/32/1046300532.db2.gz ZGLSGKSLLWKQJA-CQSZACIVSA-N -1 3 319.426 4.086 20 0 DIADHM CCOc1ccccc1[C@H](CC)NCc1ccc(C(=O)[O-])s1 ZINC000903677693 1046301359 /nfs/dbraw/zinc/30/13/59/1046301359.db2.gz ZGLSGKSLLWKQJA-AWEZNQCLSA-N -1 3 319.426 4.086 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cc(C)c(Cl)c(C)c2)c1 ZINC001138848146 1046310474 /nfs/dbraw/zinc/31/04/74/1046310474.db2.gz TVRABOWWPJNNGL-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)s1 ZINC000263409992 1046316813 /nfs/dbraw/zinc/31/68/13/1046316813.db2.gz LCBSQJWLYFEPFG-UHFFFAOYSA-N -1 3 303.427 4.020 20 0 DIADHM C[C@@H]1CCC[C@H](C)CN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903894263 1046337517 /nfs/dbraw/zinc/33/75/17/1046337517.db2.gz RUCHSAUJAOBEAI-VHSXEESVSA-N -1 3 319.323 4.007 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001139209377 1046413024 /nfs/dbraw/zinc/41/30/24/1046413024.db2.gz WQVRGAJVYWTNBE-ZWKOTPCHSA-N -1 3 317.388 4.140 20 0 DIADHM C[C@@H]1CCC[C@@H](Oc2cc(O)cc([O-])c2Br)[C@H]1C ZINC001229096351 1046417875 /nfs/dbraw/zinc/41/78/75/1046417875.db2.gz CBDPCIYHJNVZAT-VDDIYKPWSA-N -1 3 315.207 4.064 20 0 DIADHM CC(=O)c1cccc(NC(=O)Nc2ccc(C(C)C)cc2)c1[O-] ZINC001202923916 1046428890 /nfs/dbraw/zinc/42/88/90/1046428890.db2.gz DJXSOVMEKUJLJG-UHFFFAOYSA-N -1 3 312.369 4.362 20 0 DIADHM CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c([O-])c1 ZINC001139523549 1046461989 /nfs/dbraw/zinc/46/19/89/1046461989.db2.gz IEMXTVMEUYKOJP-FMKPAKJESA-N -1 3 303.446 4.318 20 0 DIADHM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212412 1046474524 /nfs/dbraw/zinc/47/45/24/1046474524.db2.gz OARRDAIKXBDAIQ-GFCCVEGCSA-N -1 3 319.788 4.089 20 0 DIADHM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677211626 1046475107 /nfs/dbraw/zinc/47/51/07/1046475107.db2.gz DBYHJADCLNUXDF-SNVBAGLBSA-N -1 3 307.752 4.002 20 0 DIADHM CC(C)Oc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000261434011 1046546398 /nfs/dbraw/zinc/54/63/98/1046546398.db2.gz GALPYGNRNCKJIY-UHFFFAOYSA-N -1 3 305.761 4.085 20 0 DIADHM [O-]c1ccc(F)c(CNc2ccc3c(c2)[C@@H](O)CCCC3)c1F ZINC000827027416 1046547250 /nfs/dbraw/zinc/54/72/50/1046547250.db2.gz ZKEBUABBOKEYAI-INIZCTEOSA-N -1 3 319.351 4.042 20 0 DIADHM Cc1ccc([O-])c(CN(C)Cc2ccc(Cl)cc2Cl)n1 ZINC000678123586 1046556959 /nfs/dbraw/zinc/55/69/59/1046556959.db2.gz YHFZQDBCNHHAEI-UHFFFAOYSA-N -1 3 311.212 4.034 20 0 DIADHM Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000642324046 1046597414 /nfs/dbraw/zinc/59/74/14/1046597414.db2.gz RPESMBVOEQLHJO-UHFFFAOYSA-N -1 3 320.186 4.024 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)c([O-])c1 ZINC000678314310 1046617894 /nfs/dbraw/zinc/61/78/94/1046617894.db2.gz XDWMOWZGXBHVOG-KRWDZBQOSA-N -1 3 313.372 4.242 20 0 DIADHM CCc1cccc(C(=O)N(C)c2cccc3ccccc32)c1[O-] ZINC000678309333 1046617969 /nfs/dbraw/zinc/61/79/69/1046617969.db2.gz MYBMGKAMTWLZBX-UHFFFAOYSA-N -1 3 305.377 4.384 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCc2c1cccc2Cl ZINC000678861080 1046720882 /nfs/dbraw/zinc/72/08/82/1046720882.db2.gz FRQCWGBZNLGHQV-LBPRGKRZSA-N -1 3 322.191 4.368 20 0 DIADHM CC1(C)CC[C@@H]2C[C@@H]([N-]c3nnc(C(F)F)o3)c3cccc1c32 ZINC000644939711 1046750480 /nfs/dbraw/zinc/75/04/80/1046750480.db2.gz KUWZQHPNALQYNE-BXKDBHETSA-N -1 3 319.355 4.719 20 0 DIADHM CC(=O)c1cc(F)c([N-]C(=O)c2cc3occc3s2)c(F)c1 ZINC000679051147 1046764041 /nfs/dbraw/zinc/76/40/41/1046764041.db2.gz MFQLAINYPVXABA-UHFFFAOYSA-N -1 3 321.304 4.227 20 0 DIADHM Nc1cc(Nc2ccc([O-])c(F)c2F)cc(C(F)(F)F)c1 ZINC001212007513 1046810456 /nfs/dbraw/zinc/81/04/56/1046810456.db2.gz KGEFFVXPRZYCDE-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM [O-]c1ccc(Nc2cc(F)cc(Br)c2)c(F)c1F ZINC001212007448 1046811743 /nfs/dbraw/zinc/81/17/43/1046811743.db2.gz FMBAADPENSHTMN-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM Cc1cccc(Br)c1Nc1ccc([O-])c(F)c1F ZINC001212007700 1046813833 /nfs/dbraw/zinc/81/38/33/1046813833.db2.gz YHKHXMHYKVZGPM-UHFFFAOYSA-N -1 3 314.129 4.485 20 0 DIADHM CC(C)n1ncc2cc(Nc3ccc([O-])c(F)c3F)ccc21 ZINC001212013962 1046823207 /nfs/dbraw/zinc/82/32/07/1046823207.db2.gz RSBBJNKIKVEURD-UHFFFAOYSA-N -1 3 303.312 4.345 20 0 DIADHM Cn1c(Nc2cccc([O-])c2Br)cc2ccccc21 ZINC001212052603 1046848324 /nfs/dbraw/zinc/84/83/24/1046848324.db2.gz XKSODDHATNELDN-UHFFFAOYSA-N -1 3 317.186 4.390 20 0 DIADHM Cc1c(NCc2c(F)ccc([O-])c2F)cccc1-c1ncco1 ZINC000646206476 1046875190 /nfs/dbraw/zinc/87/51/90/1046875190.db2.gz DXXNXWUIYJRWMF-UHFFFAOYSA-N -1 3 316.307 4.246 20 0 DIADHM CCCc1nc(CO[N-]C(=O)CCC2CCCCC2)cs1 ZINC000303280913 1046906506 /nfs/dbraw/zinc/90/65/06/1046906506.db2.gz IPDQEHSGTFXHNP-UHFFFAOYSA-N -1 3 310.463 4.004 20 0 DIADHM [O-]c1c(Cl)cc(CN2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001140832667 1046921600 /nfs/dbraw/zinc/92/16/00/1046921600.db2.gz BEZAVWLGENRKJU-VXGBXAGGSA-N -1 3 300.229 4.321 20 0 DIADHM [O-]c1c(Cl)cc(CN2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001140834594 1046922798 /nfs/dbraw/zinc/92/27/98/1046922798.db2.gz QTUOZLDYIOZVNN-RISCZKNCSA-N -1 3 300.229 4.464 20 0 DIADHM [O-]c1c(Cl)cc(CN2CCC[C@H]3CCC[C@H]32)cc1Cl ZINC001140834592 1046923431 /nfs/dbraw/zinc/92/34/31/1046923431.db2.gz QTUOZLDYIOZVNN-BXUZGUMPSA-N -1 3 300.229 4.464 20 0 DIADHM O=c1cc(Nc2cc(Cl)nc(Cl)c2)n(C2CCCC2)[n-]1 ZINC001212089880 1046929896 /nfs/dbraw/zinc/92/98/96/1046929896.db2.gz QIXONSLFPOBBMT-UHFFFAOYSA-N -1 3 313.188 4.149 20 0 DIADHM [O-]c1ccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)c(F)c1F ZINC001140893169 1046944182 /nfs/dbraw/zinc/94/41/82/1046944182.db2.gz JTWBRLWTIFPOOT-GFCCVEGCSA-N -1 3 323.770 4.313 20 0 DIADHM [O-]c1c(F)cc(CN2CCC(c3ccc(F)cc3)CC2)cc1F ZINC001140990059 1046969664 /nfs/dbraw/zinc/96/96/64/1046969664.db2.gz JSQZFOAUJDYFND-UHFFFAOYSA-N -1 3 321.342 4.189 20 0 DIADHM [O-]c1c(F)cc(CN2CCC(c3cccs3)CC2)cc1F ZINC001140989922 1046970082 /nfs/dbraw/zinc/97/00/82/1046970082.db2.gz GXKYROMGXGNCJF-UHFFFAOYSA-N -1 3 309.381 4.112 20 0 DIADHM CCc1cccc(C(=O)N(C)c2cc(Cl)ccc2C)c1[O-] ZINC000647425808 1046999218 /nfs/dbraw/zinc/99/92/18/1046999218.db2.gz KOSFJLVOSMFLLY-UHFFFAOYSA-N -1 3 303.789 4.193 20 0 DIADHM Cc1nnc(-c2ccc(Nc3ccc([O-])c(Cl)c3)cc2)o1 ZINC001203100032 1047033702 /nfs/dbraw/zinc/03/37/02/1047033702.db2.gz LTMXQWWYCJBWEA-UHFFFAOYSA-N -1 3 301.733 4.148 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2cc(-c3ccncc3)ccc2C)c1 ZINC000536686240 1047069524 /nfs/dbraw/zinc/06/95/24/1047069524.db2.gz BORHZDABBRCTME-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)cccc1[O-] ZINC001141318007 1047089417 /nfs/dbraw/zinc/08/94/17/1047089417.db2.gz QPOSYYXCGFJWFW-UHFFFAOYSA-N -1 3 309.818 4.078 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(Sc2ccccc2)CC1 ZINC001116377079 1047134517 /nfs/dbraw/zinc/13/45/17/1047134517.db2.gz NPINRUOFZCNXIM-UHFFFAOYSA-N -1 3 319.813 4.309 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(O[C@@H](C)CC)c2)c1 ZINC001141451782 1047136525 /nfs/dbraw/zinc/13/65/25/1047136525.db2.gz UPRUJGIWHJSPCL-ZDUSSCGKSA-N -1 3 313.397 4.384 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001141518931 1047158349 /nfs/dbraw/zinc/15/83/49/1047158349.db2.gz VEGVHYYMHCCHMS-NWDGAFQWSA-N -1 3 317.351 4.293 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c([O-])c1 ZINC001141525891 1047163551 /nfs/dbraw/zinc/16/35/51/1047163551.db2.gz RGCQCXAGNHKEKP-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM CC(C)n1ncc2c1[C@H]([N-]c1nc(-c3ccccc3)no1)CCC2 ZINC001116624121 1047163766 /nfs/dbraw/zinc/16/37/66/1047163766.db2.gz DUHNGLGALJPHSK-OAHLLOKOSA-N -1 3 323.400 4.004 20 0 DIADHM Cc1cc(F)c2[nH]ccc2c1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212973530 1047176026 /nfs/dbraw/zinc/17/60/26/1047176026.db2.gz ABJDKLVQJGDUEM-UHFFFAOYSA-N -1 3 322.343 4.250 20 0 DIADHM CCc1ccc2nc(-c3cnc4c(F)cccc4c3)[n-]c(=O)c2c1 ZINC001116890172 1047187122 /nfs/dbraw/zinc/18/71/22/1047187122.db2.gz ORFSAIYRVLPGSH-UHFFFAOYSA-N -1 3 319.339 4.252 20 0 DIADHM c1c(C[N-]c2nc(-c3ccccc3)no2)noc1-c1ccccc1 ZINC000682393087 1047189663 /nfs/dbraw/zinc/18/96/63/1047189663.db2.gz FEQSZUGWHKZEOP-UHFFFAOYSA-N -1 3 318.336 4.004 20 0 DIADHM Cc1cc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2[O-])ccc1F ZINC001141589475 1047207703 /nfs/dbraw/zinc/20/77/03/1047207703.db2.gz DDAWWMOWVQLBCD-CYBMUJFWSA-N -1 3 315.388 4.454 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC001141649557 1047248662 /nfs/dbraw/zinc/24/86/62/1047248662.db2.gz QISNCGGGMQTXLM-SOUVJXGZSA-N -1 3 315.413 4.140 20 0 DIADHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c([O-])c1C ZINC001141708084 1047271350 /nfs/dbraw/zinc/27/13/50/1047271350.db2.gz SSEGXNYAKXUZFG-CYBMUJFWSA-N -1 3 315.417 4.065 20 0 DIADHM C[C@H]1Cc2ccccc2N1C(=O)c1cc([O-])c2ccccc2c1 ZINC000471623534 1047271839 /nfs/dbraw/zinc/27/18/39/1047271839.db2.gz BOOYGIIJHOIRGD-ZDUSSCGKSA-N -1 3 303.361 4.137 20 0 DIADHM CCc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001142513234 1047280024 /nfs/dbraw/zinc/28/00/24/1047280024.db2.gz BKAGAVFQZIEGBJ-HOTGVXAUSA-N -1 3 303.446 4.241 20 0 DIADHM CC[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1SC(C)C ZINC000650806368 1047282780 /nfs/dbraw/zinc/28/27/80/1047282780.db2.gz YMKYGRPBUPNTHP-CYBMUJFWSA-N -1 3 315.866 4.136 20 0 DIADHM CC(C)Oc1cccc([C@@H](C)NCc2cc(C(=O)[O-])cs2)c1 ZINC000387912015 1047285406 /nfs/dbraw/zinc/28/54/06/1047285406.db2.gz NAPAMOOMXHBCSK-GFCCVEGCSA-N -1 3 319.426 4.084 20 0 DIADHM O=C(Nc1ccc(Cl)c(F)c1)c1cc2c(cc1[O-])CCCC2 ZINC001141764368 1047287396 /nfs/dbraw/zinc/28/73/96/1047287396.db2.gz HTZPPFWVVAFODK-UHFFFAOYSA-N -1 3 319.763 4.316 20 0 DIADHM C[C@@H]1CN(Cc2c(Cl)cc([O-])cc2Cl)CCC1(F)F ZINC001142105664 1047380941 /nfs/dbraw/zinc/38/09/41/1047380941.db2.gz JJKMKEYVVBBKGW-MRVPVSSYSA-N -1 3 310.171 4.176 20 0 DIADHM O=C([O-])CN(Cc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000652482459 1047362716 /nfs/dbraw/zinc/36/27/16/1047362716.db2.gz BIEWMZMAMQZADW-UHFFFAOYSA-N -1 3 316.228 4.213 20 0 DIADHM [O-]c1cc(Cl)c(CN2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC001142114673 1047383120 /nfs/dbraw/zinc/38/31/20/1047383120.db2.gz MRFKAQOOUMJWIQ-GFCCVEGCSA-N -1 3 323.223 4.084 20 0 DIADHM CC(C)N(CCCCCO)Cc1c(Cl)cc([O-])cc1Cl ZINC001142118607 1047383516 /nfs/dbraw/zinc/38/35/16/1047383516.db2.gz SOBZXEFBKJNLMT-UHFFFAOYSA-N -1 3 320.260 4.072 20 0 DIADHM C/C(=C/C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000749266794 1047405211 /nfs/dbraw/zinc/40/52/11/1047405211.db2.gz BLXQWVFMLLOXAI-NTMALXAHSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(F)ccc1Cl ZINC000750186292 1047465090 /nfs/dbraw/zinc/46/50/90/1047465090.db2.gz COUQXJFZWFEQDJ-UHFFFAOYSA-N -1 3 322.645 4.047 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000537645115 1047556858 /nfs/dbraw/zinc/55/68/58/1047556858.db2.gz BUPONMPXPHKRIY-QGZVFWFLSA-N -1 3 313.372 4.071 20 0 DIADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c([O-])c1 ZINC001149701844 1047567909 /nfs/dbraw/zinc/56/79/09/1047567909.db2.gz HONPHHBSJOIKBF-LAUBAEHRSA-N -1 3 321.420 4.242 20 0 DIADHM Cc1nc2cc(NC(=O)c3cc4sccc4c([O-])c3)ccc2[nH]1 ZINC001150106610 1047574272 /nfs/dbraw/zinc/57/42/72/1047574272.db2.gz NUZOPWOAXVOZDY-UHFFFAOYSA-N -1 3 323.377 4.044 20 0 DIADHM CCC[C@@H](CC1CCCC1)C(=O)NCc1ccc([O-])c(F)c1 ZINC001150365777 1047576910 /nfs/dbraw/zinc/57/69/10/1047576910.db2.gz DXUBMEJFZSGRGA-HNNXBMFYSA-N -1 3 307.409 4.144 20 0 DIADHM CCc1cccc(C(=O)Nc2ccccc2CC(F)(F)F)c1[O-] ZINC000537686779 1047577076 /nfs/dbraw/zinc/57/70/76/1047577076.db2.gz QAKBTTQRLURVGU-UHFFFAOYSA-N -1 3 323.314 4.312 20 0 DIADHM CCCN(C)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC001150510229 1047577943 /nfs/dbraw/zinc/57/79/43/1047577943.db2.gz YMWUVKKZVGVFMN-UHFFFAOYSA-N -1 3 318.804 4.144 20 0 DIADHM Cc1occ(C(F)(F)F)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001151769908 1047601425 /nfs/dbraw/zinc/60/14/25/1047601425.db2.gz SNXXUDKELKSIHA-UHFFFAOYSA-N -1 3 319.666 4.218 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](CF)c2ccc(F)cc2)c([O-])c1 ZINC001152357159 1047610894 /nfs/dbraw/zinc/61/08/94/1047610894.db2.gz MMBKPRYXQVWRGI-INIZCTEOSA-N -1 3 319.351 4.095 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(F)c2C(C)(F)F)c1 ZINC001152474280 1047612304 /nfs/dbraw/zinc/61/23/04/1047612304.db2.gz HLJTUBZBUCRCJQ-UHFFFAOYSA-N -1 3 323.314 4.458 20 0 DIADHM O=C(Nc1cc([O-])cc(Cl)c1)c1nc2c(cccc2F)s1 ZINC001152631395 1047613868 /nfs/dbraw/zinc/61/38/68/1047613868.db2.gz RFYPHKVWFPGTDC-UHFFFAOYSA-N -1 3 322.748 4.047 20 0 DIADHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2ccc(F)cc2F)n1 ZINC000477348068 1047615267 /nfs/dbraw/zinc/61/52/67/1047615267.db2.gz HEFJXRXKYCHUDX-VIFPVBQESA-N -1 3 310.369 4.017 20 0 DIADHM O=c1ccnc(C(=Cc2ccc(Cl)cc2)Cc2ccccc2)[n-]1 ZINC000477406046 1047617617 /nfs/dbraw/zinc/61/76/17/1047617617.db2.gz NZIGRLYUXSXYFE-DTQAZKPQSA-N -1 3 322.795 4.207 20 0 DIADHM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001153461793 1047625069 /nfs/dbraw/zinc/62/50/69/1047625069.db2.gz QOPURJCXGUHNOJ-GFCCVEGCSA-N -1 3 303.789 4.171 20 0 DIADHM CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001153460233 1047625079 /nfs/dbraw/zinc/62/50/79/1047625079.db2.gz DTZGQTYVWBMQEA-UHFFFAOYSA-N -1 3 319.788 4.187 20 0 DIADHM Cc1ccc(OCCC(=O)Nc2ccc(Cl)cc2[O-])c(C)c1 ZINC001153462345 1047625138 /nfs/dbraw/zinc/62/51/38/1047625138.db2.gz WUWLSXFYVMBJKV-UHFFFAOYSA-N -1 3 319.788 4.070 20 0 DIADHM Cc1ccc([O-])c(NC(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC001153940682 1047635880 /nfs/dbraw/zinc/63/58/80/1047635880.db2.gz ZMEHENAXUBYVFX-UHFFFAOYSA-N -1 3 318.332 4.247 20 0 DIADHM Cc1cc(C)c(NC(=O)c2c([O-])cc3ccccc3c2O)cc1C ZINC001154027821 1047638172 /nfs/dbraw/zinc/63/81/72/1047638172.db2.gz CXDDXOGLEMXGFS-UHFFFAOYSA-N -1 3 321.376 4.429 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc3ccc(Cl)cc3n2)c([O-])c1 ZINC001155465664 1047682016 /nfs/dbraw/zinc/68/20/16/1047682016.db2.gz DDCVHDFSHMGVLW-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM C[C@@H](CCNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC001155885648 1047690787 /nfs/dbraw/zinc/69/07/87/1047690787.db2.gz LTJBUQOHUURRFV-HNNXBMFYSA-N -1 3 319.404 4.469 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc2c(F)cccc12 ZINC001156099422 1047700608 /nfs/dbraw/zinc/70/06/08/1047700608.db2.gz MEULIFPSYKAAGO-UHFFFAOYSA-N -1 3 323.323 4.139 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c1[O-] ZINC001156353251 1047708177 /nfs/dbraw/zinc/70/81/77/1047708177.db2.gz QXCYCSBJGCOPBE-HNAYVOBHSA-N -1 3 323.436 4.363 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(Cc2cccs2)C(C)C)c1 ZINC000667135611 1047709146 /nfs/dbraw/zinc/70/91/46/1047709146.db2.gz BUJPBQJGEFNSIN-UHFFFAOYSA-N -1 3 321.467 4.226 20 0 DIADHM CCc1ccc(C(=O)NC2CCC(CC)(CC)CC2)c([O-])c1 ZINC001156493435 1047714435 /nfs/dbraw/zinc/71/44/35/1047714435.db2.gz SEAZISZZFABGGF-UHFFFAOYSA-N -1 3 303.446 4.433 20 0 DIADHM CCc1ccc([C@H]2CCCN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001157184570 1047736954 /nfs/dbraw/zinc/73/69/54/1047736954.db2.gz BLGHUQDSWKSKEG-SFHVURJKSA-N -1 3 323.436 4.283 20 0 DIADHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)[N-]OC1CCC1 ZINC001158455672 1047779955 /nfs/dbraw/zinc/77/99/55/1047779955.db2.gz QVVGVFHWQLYOQH-UHFFFAOYSA-N -1 3 319.445 4.052 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cccc(Cl)c1F ZINC000552783242 1047795408 /nfs/dbraw/zinc/79/54/08/1047795408.db2.gz JSTZQBXIZMTDKD-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CCOc1ccc(Cl)c(NC(=O)c2cccc(CC)c2[O-])c1 ZINC001158788176 1047798766 /nfs/dbraw/zinc/79/87/66/1047798766.db2.gz AWJFWJAQDIHYDS-UHFFFAOYSA-N -1 3 319.788 4.259 20 0 DIADHM CCc1ccc(C(=O)Nc2cc(C)c(C)cc2Cl)c([O-])c1 ZINC001158994986 1047807216 /nfs/dbraw/zinc/80/72/16/1047807216.db2.gz OPSSOIGMPUPBME-UHFFFAOYSA-N -1 3 303.789 4.477 20 0 DIADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001159551666 1047867881 /nfs/dbraw/zinc/86/78/81/1047867881.db2.gz OJZXVCKEGKNJKU-RKDXNWHRSA-N -1 3 314.223 4.084 20 0 DIADHM Cc1ccc(NC(=S)Nc2c([O-])cccc2Cl)c(C)c1 ZINC001197987290 1047916150 /nfs/dbraw/zinc/91/61/50/1047916150.db2.gz TYTWXMBSFRDTKA-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM O=C1c2ccccc2-c2ccc(Nc3ccc([O-])c(F)c3)cc21 ZINC001174738306 1047958512 /nfs/dbraw/zinc/95/85/12/1047958512.db2.gz XMTQCPKVZHPZCF-UHFFFAOYSA-N -1 3 305.308 4.486 20 0 DIADHM Cc1nc(Cl)ccc1Nc1cccc([O-])c1Br ZINC001250158068 1048065461 /nfs/dbraw/zinc/06/54/61/1048065461.db2.gz VMSGHBNAFXISDY-UHFFFAOYSA-N -1 3 313.582 4.255 20 0 DIADHM Cc1c(Cl)cccc1NC(=O)Nc1ncc([O-])cc1Cl ZINC001184657002 1048073829 /nfs/dbraw/zinc/07/38/29/1048073829.db2.gz KRFRHEKXRXUZSM-UHFFFAOYSA-N -1 3 312.156 4.046 20 0 DIADHM CCOc1ccc(OCC)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175100714 1048116221 /nfs/dbraw/zinc/11/62/21/1048116221.db2.gz WNEKHQASYNSNGP-UHFFFAOYSA-N -1 3 309.312 4.211 20 0 DIADHM Cc1cc(C)n(-c2ccc(Nc3c(F)cc([O-])cc3F)cc2)n1 ZINC001175098096 1048143292 /nfs/dbraw/zinc/14/32/92/1048143292.db2.gz XXOUTEJNWOAAIX-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM CCOc1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1F ZINC001175152291 1048144194 /nfs/dbraw/zinc/14/41/94/1048144194.db2.gz NVHPHMLHWYFZDS-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cc1cccc(-c2ccc(NC(=O)c3cccc(C)c3[O-])nc2)c1 ZINC001161662383 1048150748 /nfs/dbraw/zinc/15/07/48/1048150748.db2.gz TUQGAHUPSVDPNG-UHFFFAOYSA-N -1 3 318.376 4.323 20 0 DIADHM Cc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001185403801 1048169193 /nfs/dbraw/zinc/16/91/93/1048169193.db2.gz ZWNFBWJGAZZAJQ-UHFFFAOYSA-N -1 3 324.302 4.041 20 0 DIADHM O=C(CCc1ccc(-c2ccccc2F)o1)[N-]OC1CCCC1 ZINC000774868153 1048171058 /nfs/dbraw/zinc/17/10/58/1048171058.db2.gz WJCFMDPJLOITDI-UHFFFAOYSA-N -1 3 317.360 4.009 20 0 DIADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccccc1C(F)(F)F ZINC000774875232 1048178148 /nfs/dbraw/zinc/17/81/48/1048178148.db2.gz MDAMCEVMJSOGCB-LLVKDONJSA-N -1 3 315.335 4.189 20 0 DIADHM Cc1ccc(C)c(CCNc2[n-]c(=O)c(Cl)cc2Cl)c1 ZINC001161830208 1048181262 /nfs/dbraw/zinc/18/12/62/1048181262.db2.gz NVXRGJLRBVEOGQ-UHFFFAOYSA-N -1 3 311.212 4.365 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@H]2CCCC3(CC3)C2)c([O-])c1 ZINC001161853863 1048187352 /nfs/dbraw/zinc/18/73/52/1048187352.db2.gz BBJLJBGKORPUIG-AWEZNQCLSA-N -1 3 317.429 4.024 20 0 DIADHM [O-]c1cc(Cl)cnc1Nc1cccc(O[C@@H]2CCCCO2)c1 ZINC001175182546 1048187365 /nfs/dbraw/zinc/18/73/65/1048187365.db2.gz IEXFYGLTLUYXJU-OAHLLOKOSA-N -1 3 320.776 4.090 20 0 DIADHM [O-]c1ccc(Nc2cccc(O[C@@H]3CCCCO3)c2)c(F)c1F ZINC001175185353 1048189182 /nfs/dbraw/zinc/18/91/82/1048189182.db2.gz IGBDNJCYPFJQRH-OAHLLOKOSA-N -1 3 321.323 4.319 20 0 DIADHM Cc1cc(C)cc(NC(=S)Nc2ccc([O-])c(Cl)c2)c1 ZINC001201207158 1048217800 /nfs/dbraw/zinc/21/78/00/1048217800.db2.gz RYXPLUITGLUVAH-UHFFFAOYSA-N -1 3 306.818 4.471 20 0 DIADHM CC(=O)c1ccc(F)c(Nc2cccc([O-])c2Br)c1 ZINC001175275410 1048223536 /nfs/dbraw/zinc/22/35/36/1048223536.db2.gz IIGUWRPBYHQVGP-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CC(=O)c1ccc(F)c(Nc2ccc([O-])c(Br)c2)c1 ZINC001175274744 1048224471 /nfs/dbraw/zinc/22/44/71/1048224471.db2.gz RLSFEQLPYQFHTQ-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CCCC1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001185877096 1048241228 /nfs/dbraw/zinc/24/12/28/1048241228.db2.gz KFSWTVMVQACFOL-UHFFFAOYSA-N -1 3 321.895 4.039 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1c(F)ccc([O-])c1F ZINC001175264285 1048243592 /nfs/dbraw/zinc/24/35/92/1048243592.db2.gz FRVGYIASSPKJSE-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM [O-]c1ccc(F)c(Nc2cnc(C(F)(F)F)cc2Cl)c1F ZINC001175262927 1048243649 /nfs/dbraw/zinc/24/36/49/1048243649.db2.gz DIJCAJUGDSRHMS-UHFFFAOYSA-N -1 3 324.636 4.481 20 0 DIADHM [O-]c1ccc(F)c(Nc2cc(-c3ccc(F)cc3)no2)c1F ZINC001175262557 1048244501 /nfs/dbraw/zinc/24/45/01/1048244501.db2.gz KCISINLNXUDLNV-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(F)cc2Br)c1F ZINC001175265347 1048245272 /nfs/dbraw/zinc/24/52/72/1048245272.db2.gz MCNLBWAWVDRUBW-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1ccc(-n2cccc2)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175268668 1048246290 /nfs/dbraw/zinc/24/62/90/1048246290.db2.gz PIEZYIZCYLIUDE-UHFFFAOYSA-N -1 3 316.307 4.213 20 0 DIADHM COc1ccc(Nc2c(F)ccc([O-])c2F)c(C(F)(F)F)c1 ZINC001175265361 1048246699 /nfs/dbraw/zinc/24/66/99/1048246699.db2.gz MOMJDVAEUJIUBT-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM [O-]c1ccc(F)c(Nc2cccc(Br)c2F)c1F ZINC001175267945 1048246877 /nfs/dbraw/zinc/24/68/77/1048246877.db2.gz FELKMNADSLMGPZ-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1cc(Nc2c(F)ccc([O-])c2F)c(OC)cc1Cl ZINC001175265811 1048246896 /nfs/dbraw/zinc/24/68/96/1048246896.db2.gz POICBVBXLVXTKW-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(O)cc2C(F)(F)F)c1F ZINC001175267655 1048247080 /nfs/dbraw/zinc/24/70/80/1048247080.db2.gz FGPPDKDVZPVLEI-UHFFFAOYSA-N -1 3 305.202 4.138 20 0 DIADHM CC(=O)Nc1cc(Nc2c(F)ccc([O-])c2F)ccc1Cl ZINC001175267938 1048247107 /nfs/dbraw/zinc/24/71/07/1048247107.db2.gz DVZCDXVKSGJJTB-UHFFFAOYSA-N -1 3 312.703 4.026 20 0 DIADHM [O-]c1ccc(F)c(Nc2ccc(Cc3cccnc3)cc2)c1F ZINC001175269702 1048248321 /nfs/dbraw/zinc/24/83/21/1048248321.db2.gz JPXSWKMYIZDALI-UHFFFAOYSA-N -1 3 312.319 4.400 20 0 DIADHM COc1cc(F)c(Cl)cc1Nc1c(F)ccc([O-])c1F ZINC001175270021 1048248663 /nfs/dbraw/zinc/24/86/63/1048248663.db2.gz RTNHWOLYHMSIIO-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM Cc1cn(-c2ccc(Nc3c(F)ccc([O-])c3F)cc2F)cn1 ZINC001175269787 1048248757 /nfs/dbraw/zinc/24/87/57/1048248757.db2.gz LMWSYYGKYDRJES-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Nc1cccc2c3ccccc3n(-c3c(F)ccc([O-])c3F)c21 ZINC001175270970 1048249031 /nfs/dbraw/zinc/24/90/31/1048249031.db2.gz PYJNTHRWUALJNY-UHFFFAOYSA-N -1 3 310.303 4.350 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)CC1CCC(C)(C)CC1 ZINC001185975663 1048250197 /nfs/dbraw/zinc/25/01/97/1048250197.db2.gz WOWDGRANPAVBRC-UHFFFAOYSA-N -1 3 303.402 4.140 20 0 DIADHM CCOc1ncc(Cl)cc1[N-]c1nc2ccc(F)cc2o1 ZINC001201506422 1048292141 /nfs/dbraw/zinc/29/21/41/1048292141.db2.gz YHTSOTMSXHERDL-UHFFFAOYSA-N -1 3 307.712 4.158 20 0 DIADHM FC(F)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001175431836 1048304678 /nfs/dbraw/zinc/30/46/78/1048304678.db2.gz PDQJQTLVJLIGBZ-UHFFFAOYSA-N -1 3 321.718 4.201 20 0 DIADHM Fc1cc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175429281 1048305256 /nfs/dbraw/zinc/30/52/56/1048305256.db2.gz UZYJAONQUVWCQX-UHFFFAOYSA-N -1 3 324.146 4.056 20 0 DIADHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cc([O-])ccc1Cl ZINC001175485775 1048324612 /nfs/dbraw/zinc/32/46/12/1048324612.db2.gz ZUTWNENSUGGHMM-KRWDZBQOSA-N -1 3 307.821 4.231 20 0 DIADHM [O-]c1cccc(Nc2ccc(C3CC3)nc2)c1Br ZINC001201719431 1048355557 /nfs/dbraw/zinc/35/55/57/1048355557.db2.gz RTCAIWWOZYAPEP-UHFFFAOYSA-N -1 3 305.175 4.171 20 0 DIADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001187080442 1048372031 /nfs/dbraw/zinc/37/20/31/1048372031.db2.gz AMOGXCBLGQYGQB-UHFFFAOYSA-N -1 3 324.273 4.241 20 0 DIADHM O=C(Nc1ccc(F)c([O-])c1)Nc1cc(Cl)cc(Cl)c1 ZINC001187147026 1048379399 /nfs/dbraw/zinc/37/93/99/1048379399.db2.gz BLDHUOTZPGSHBG-UHFFFAOYSA-N -1 3 315.131 4.482 20 0 DIADHM CCc1cccc(C(=O)NC2(c3ccccc3Cl)CC2)c1[O-] ZINC001162920407 1048388603 /nfs/dbraw/zinc/38/86/03/1048388603.db2.gz JCXVTERCGUQGQW-UHFFFAOYSA-N -1 3 315.800 4.027 20 0 DIADHM O=C(Nc1ccccc1F)Nc1c([O-])cccc1C(F)(F)F ZINC001202002554 1048427212 /nfs/dbraw/zinc/42/72/12/1048427212.db2.gz YVEGWJLWFPLTKG-UHFFFAOYSA-N -1 3 314.238 4.194 20 0 DIADHM [O-]c1cccc(Nc2ccc3ccncc3c2)c1Br ZINC001175708619 1048438088 /nfs/dbraw/zinc/43/80/88/1048438088.db2.gz ULTXGPNEMCSTNJ-UHFFFAOYSA-N -1 3 315.170 4.447 20 0 DIADHM Cc1ccc(NC(=O)[N-]c2cc(-c3cccs3)no2)cc1F ZINC001187957536 1048456497 /nfs/dbraw/zinc/45/64/97/1048456497.db2.gz WLPMJRQRIKKIAA-UHFFFAOYSA-N -1 3 317.345 4.495 20 0 DIADHM CSc1ccc(NC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001188110202 1048475819 /nfs/dbraw/zinc/47/58/19/1048475819.db2.gz JKYDLEAJHOJPDJ-UHFFFAOYSA-N -1 3 308.790 4.412 20 0 DIADHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C(C)(C)C)s1 ZINC001188252315 1048493562 /nfs/dbraw/zinc/49/35/62/1048493562.db2.gz FDXMUIAMOBPSBM-UHFFFAOYSA-N -1 3 317.410 4.206 20 0 DIADHM O=C([N-]c1cc(C(F)(F)F)no1)Nc1cccc(Cl)c1F ZINC001188380004 1048502486 /nfs/dbraw/zinc/50/24/86/1048502486.db2.gz DMFDDORUNVBKQU-UHFFFAOYSA-N -1 3 323.633 4.130 20 0 DIADHM Cc1cccc(NC(=O)Nc2ccc([O-])c(Br)c2)c1 ZINC001202315769 1048521579 /nfs/dbraw/zinc/52/15/79/1048521579.db2.gz LBMYMOMEXZAJGO-UHFFFAOYSA-N -1 3 321.174 4.107 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001188646369 1048534720 /nfs/dbraw/zinc/53/47/20/1048534720.db2.gz CMTJPTFSZLJRKL-QGZVFWFLSA-N -1 3 320.392 4.159 20 0 DIADHM COc1cccc2c(NC(=O)c3c(C)cccc3[O-])cccc12 ZINC001188654527 1048535387 /nfs/dbraw/zinc/53/53/87/1048535387.db2.gz CAUNWMKWRXJONR-UHFFFAOYSA-N -1 3 307.349 4.115 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@H]2CCCc3ccccc32)n1 ZINC001188676798 1048539269 /nfs/dbraw/zinc/53/92/69/1048539269.db2.gz KMYCILBKRRQMAT-DOMZBBRYSA-N -1 3 300.427 4.362 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H]2CCCc3ccccc32)n1 ZINC001188676802 1048540068 /nfs/dbraw/zinc/54/00/68/1048540068.db2.gz KMYCILBKRRQMAT-WFASDCNBSA-N -1 3 300.427 4.362 20 0 DIADHM Cc1ccc2ccc(F)c([N-]c3cc(C(F)(F)F)no3)c2n1 ZINC001176113804 1048570230 /nfs/dbraw/zinc/57/02/30/1048570230.db2.gz NTCNSMGSGOIXKG-UHFFFAOYSA-N -1 3 311.238 4.433 20 0 DIADHM Cc1c(F)cccc1NC(=O)Nc1nc2c(cccc2[O-])s1 ZINC001189016789 1048582483 /nfs/dbraw/zinc/58/24/83/1048582483.db2.gz 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ZINC000571486055 1049934181 /nfs/dbraw/zinc/93/41/81/1049934181.db2.gz PIXGXPLBFHNVBM-UHFFFAOYSA-N -1 3 315.800 4.065 20 0 DIADHM COc1ccc(C(C)=O)c(Nc2cc([O-])cc(F)c2)c1Cl ZINC001208126698 1049975423 /nfs/dbraw/zinc/97/54/23/1049975423.db2.gz YMDGGILNRULTTD-UHFFFAOYSA-N -1 3 309.724 4.140 20 0 DIADHM CC(=O)c1cccc(Br)c1Nc1cc([O-])cc(F)c1 ZINC001208200529 1049984539 /nfs/dbraw/zinc/98/45/39/1049984539.db2.gz YGIHRBQSSBFKGP-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM C[C@@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000588697835 1049991890 /nfs/dbraw/zinc/99/18/90/1049991890.db2.gz WVFFSAGTKMOHFS-JTQLQIEISA-N -1 3 307.752 4.317 20 0 DIADHM CCOc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000032070290 1049998117 /nfs/dbraw/zinc/99/81/17/1049998117.db2.gz VOYOWSGUERGHCU-YBFXNURJSA-N -1 3 319.788 4.072 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1 ZINC000572206093 1049998914 /nfs/dbraw/zinc/99/89/14/1049998914.db2.gz FJEFFBRBWGLKRX-RDJZCZTQSA-N -1 3 323.436 4.281 20 0 DIADHM [O-]c1cccc(CN2CCS[C@H](c3ccccc3)C2)c1Cl ZINC000646087845 1050068468 /nfs/dbraw/zinc/06/84/68/1050068468.db2.gz SLCQGVZZNJRXOE-INIZCTEOSA-N -1 3 319.857 4.336 20 0 DIADHM CCc1ccc([C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000590104686 1050077108 /nfs/dbraw/zinc/07/71/08/1050077108.db2.gz UPOLLMCGLZLVHS-NSHDSACASA-N -1 3 303.789 4.350 20 0 DIADHM CC[C@H](CC(=O)Nc1ccc(Br)cc1[O-])C(C)C ZINC000591132791 1050124008 /nfs/dbraw/zinc/12/40/08/1050124008.db2.gz WEXFMHIUBGADCQ-SNVBAGLBSA-N -1 3 314.223 4.166 20 0 DIADHM [O-]c1cccc2sc(Nc3cnccc3C(F)(F)F)nc21 ZINC001210090531 1050134822 /nfs/dbraw/zinc/13/48/22/1050134822.db2.gz ADNCEFHCVBGQQM-UHFFFAOYSA-N -1 3 311.288 4.159 20 0 DIADHM O=c1cc(CSCc2ccc3ncccc3c2)nc(C2CC2)[n-]1 ZINC000591389533 1050141308 /nfs/dbraw/zinc/14/13/08/1050141308.db2.gz JKMHUHXXIHQGMH-UHFFFAOYSA-N -1 3 323.421 4.041 20 0 DIADHM [O-]c1c(Cl)cccc1Nc1cc(Br)cnc1F ZINC001210216335 1050162168 /nfs/dbraw/zinc/16/21/68/1050162168.db2.gz UXEFHCIMVLUTLR-UHFFFAOYSA-N -1 3 317.545 4.086 20 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4.285 20 0 DIADHM CC(=O)n1ccc2cc(Nc3cccc(Cl)c3[O-])ccc21 ZINC001210222695 1050166367 /nfs/dbraw/zinc/16/63/67/1050166367.db2.gz BLVGIWLEIIOBHP-UHFFFAOYSA-N -1 3 300.745 4.404 20 0 DIADHM CC(C)c1cnc(NC(=O)c2cc3c(cc2[O-])CCCC3)s1 ZINC001136839808 1050191239 /nfs/dbraw/zinc/19/12/39/1050191239.db2.gz UZVQKQGWBZNDDW-UHFFFAOYSA-N -1 3 316.426 4.103 20 0 DIADHM [O-]c1cc(Cl)c(Nc2ccc(OC(F)F)nc2)cc1Cl ZINC001210302853 1050195660 /nfs/dbraw/zinc/19/56/60/1050195660.db2.gz GHUKWVADYPHXPU-UHFFFAOYSA-N -1 3 321.110 4.439 20 0 DIADHM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccccc1[O-] ZINC001136865889 1050206581 /nfs/dbraw/zinc/20/65/81/1050206581.db2.gz CDHNUNOOHQNBPQ-HNNXBMFYSA-N -1 3 309.409 4.396 20 0 DIADHM COc1ccccc1[C@@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000573573479 1050216075 /nfs/dbraw/zinc/21/60/75/1050216075.db2.gz FVTIQJGEWVMACV-LLVKDONJSA-N -1 3 316.426 4.063 20 0 DIADHM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000591819887 1050220172 /nfs/dbraw/zinc/22/01/72/1050220172.db2.gz LKDOHCDHOMPKGM-NSHDSACASA-N -1 3 324.273 4.096 20 0 DIADHM CC1CCC(=CC(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000734122679 1050230868 /nfs/dbraw/zinc/23/08/68/1050230868.db2.gz CYBXJIZBLALRTE-UHFFFAOYSA-N -1 3 324.218 4.230 20 0 DIADHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(SC)ccc1[O-] ZINC001136909646 1050232197 /nfs/dbraw/zinc/23/21/97/1050232197.db2.gz XDKJKFNGGWMPCA-SWLSCSKDSA-N -1 3 307.459 4.155 20 0 DIADHM [O-]c1cc(Nc2cccc(OCC(F)(F)F)c2)c(F)cc1F ZINC001212169965 1050248517 /nfs/dbraw/zinc/24/85/17/1050248517.db2.gz ZARFCTPKLOSLIX-UHFFFAOYSA-N -1 3 319.229 4.355 20 0 DIADHM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccccc2[O-])cc1 ZINC001136952746 1050252068 /nfs/dbraw/zinc/25/20/68/1050252068.db2.gz FSVJWHQKYGIBNB-KXBFYZLASA-N -1 3 309.409 4.314 20 0 DIADHM COc1cccc(-c2nc(-c3cccc(C(F)F)c3)no2)c1[O-] ZINC000771516199 1050260915 /nfs/dbraw/zinc/26/09/15/1050260915.db2.gz YCZHTMFTIUKPJU-UHFFFAOYSA-N -1 3 318.279 4.055 20 0 DIADHM Cc1c([O-])ccc2c(CNc3ccc(C4CC4)cc3)cc(=O)oc12 ZINC000771556241 1050267012 /nfs/dbraw/zinc/26/70/12/1050267012.db2.gz XRSXIENVPQBWPK-UHFFFAOYSA-N -1 3 321.376 4.297 20 0 DIADHM O=c1cc(Nc2cccc(F)c2Cl)[n-]n1-c1ccccc1 ZINC001210540555 1050288414 /nfs/dbraw/zinc/28/84/14/1050288414.db2.gz NDVRMASSBVHAHW-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM FC(F)Oc1ncccc1[N-]c1nc2cc(Cl)ccc2o1 ZINC001210622933 1050317205 /nfs/dbraw/zinc/31/72/05/1050317205.db2.gz GYBGXGWKWJBGEG-UHFFFAOYSA-N -1 3 311.675 4.221 20 0 DIADHM Cc1ccc(Nc2cccnc2OC(F)F)c(Cl)c1[O-] ZINC001210627633 1050318421 /nfs/dbraw/zinc/31/84/21/1050318421.db2.gz KCJWXNKFJOKTKK-UHFFFAOYSA-N -1 3 300.692 4.094 20 0 DIADHM O=C(Nc1ncccc1[O-])[C@@H](c1ccccc1)C1CCCCC1 ZINC001143625921 1050328045 /nfs/dbraw/zinc/32/80/45/1050328045.db2.gz ZSRLXSALHSFPEA-KRWDZBQOSA-N -1 3 310.397 4.090 20 0 DIADHM [O-]c1cccc(Nc2ccnn2Cc2ccc(F)cc2)c1Cl ZINC001210844467 1050391049 /nfs/dbraw/zinc/39/10/49/1050391049.db2.gz IXZIRGGHLPDPDC-UHFFFAOYSA-N -1 3 317.751 4.173 20 0 DIADHM Cc1cc(Nc2cccc([O-])c2Cl)n(-c2ccc(F)cc2)n1 ZINC001210844502 1050391271 /nfs/dbraw/zinc/39/12/71/1050391271.db2.gz LDMQRRLYXPFJGJ-UHFFFAOYSA-N -1 3 317.751 4.422 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1cccc([O-])c1Cl ZINC001210854317 1050392201 /nfs/dbraw/zinc/39/22/01/1050392201.db2.gz OVKBYLRTWRTOIW-UHFFFAOYSA-N -1 3 302.683 4.390 20 0 DIADHM [O-]c1cccc(Nc2cncc(N3CCCCC3)c2)c1Cl ZINC001210854803 1050392589 /nfs/dbraw/zinc/39/25/89/1050392589.db2.gz ABXDIUXHNQPWBL-UHFFFAOYSA-N -1 3 303.793 4.175 20 0 DIADHM CC(=O)Nc1ccc(Nc2cccc([O-])c2Cl)cc1Cl ZINC001210854408 1050392768 /nfs/dbraw/zinc/39/27/68/1050392768.db2.gz VFGYZAQDHFUGKS-UHFFFAOYSA-N -1 3 311.168 4.401 20 0 DIADHM COc1cc(OC)c(F)c(Nc2cccc([O-])c2Cl)c1F ZINC001210855123 1050393052 /nfs/dbraw/zinc/39/30/52/1050393052.db2.gz IRJIMUHZQLDPGF-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM COCCCOc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210854156 1050393570 /nfs/dbraw/zinc/39/35/70/1050393570.db2.gz DELZBDOVNKONLM-UHFFFAOYSA-N -1 3 307.777 4.205 20 0 DIADHM CC1(C)CC(=O)Nc2cc(Nc3cccc([O-])c3Cl)ccc21 ZINC001210859592 1050395897 /nfs/dbraw/zinc/39/58/97/1050395897.db2.gz GZUPZKPDZHWCBD-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM CCC[C@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000574284434 1050408057 /nfs/dbraw/zinc/40/80/57/1050408057.db2.gz ANYZXTDVSBEWMM-NHYWBVRUSA-N -1 3 313.800 4.117 20 0 DIADHM CN(C)[C@@H]1CCOc2c(Nc3cccc([S-])c3)cccc21 ZINC001210948261 1050428953 /nfs/dbraw/zinc/42/89/53/1050428953.db2.gz MGRQHBFXDKZCRC-MRXNPFEDSA-N -1 3 300.427 4.104 20 0 DIADHM O=C(OCc1nc(-c2ccccc2)cs1)c1cc2occc2[n-]1 ZINC000786031052 1050444086 /nfs/dbraw/zinc/44/40/86/1050444086.db2.gz IDBGKPKSANIFBA-UHFFFAOYSA-N -1 3 324.361 4.241 20 0 DIADHM Cc1ccccc1-c1cnc(COC(=O)c2cc3occc3[n-]2)o1 ZINC000786032563 1050444845 /nfs/dbraw/zinc/44/48/45/1050444845.db2.gz JRDLAFKBKOIUOG-UHFFFAOYSA-N -1 3 322.320 4.081 20 0 DIADHM [O-]c1ccc(Nc2cc(O)cc(OC(F)(F)F)c2)cc1Cl ZINC001211122971 1050486036 /nfs/dbraw/zinc/48/60/36/1050486036.db2.gz PNILQGXBTISRLM-UHFFFAOYSA-N -1 3 319.666 4.393 20 0 DIADHM Nc1ccc(C(F)(F)F)cc1Nc1ccc([O-])c(F)c1F ZINC001211149697 1050498442 /nfs/dbraw/zinc/49/84/42/1050498442.db2.gz PVKSMSPAWGTTEI-UHFFFAOYSA-N -1 3 304.218 4.015 20 0 DIADHM CC(=O)c1ccc(Br)cc1Nc1ccc(F)c([O-])c1 ZINC001211218650 1050522133 /nfs/dbraw/zinc/52/21/33/1050522133.db2.gz ZEJRBMMEGHNGDL-UHFFFAOYSA-N -1 3 324.149 4.240 20 0 DIADHM CCCOc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001211380747 1050557158 /nfs/dbraw/zinc/55/71/58/1050557158.db2.gz AKGKZCWTGLQKDT-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM CCc1ocnc1C(=O)[N-]c1ccccc1SC(F)(F)F ZINC000739514629 1050583802 /nfs/dbraw/zinc/58/38/02/1050583802.db2.gz PGWGROVXLVCVHM-UHFFFAOYSA-N -1 3 316.304 4.101 20 0 DIADHM [O-]c1cc(F)c(CN2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC001144553829 1050612995 /nfs/dbraw/zinc/61/29/95/1050612995.db2.gz RYIBWUAFHUGKPG-CQSZACIVSA-N -1 3 303.352 4.050 20 0 DIADHM CC(C)COc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001213251665 1050616895 /nfs/dbraw/zinc/61/68/95/1050616895.db2.gz BKNIWYCSKFLANW-UHFFFAOYSA-N -1 3 323.396 4.356 20 0 DIADHM C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000787827230 1050627221 /nfs/dbraw/zinc/62/72/21/1050627221.db2.gz FIRGVQVHAFTKAD-GFCCVEGCSA-N -1 3 320.335 4.298 20 0 DIADHM CCCc1csc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000845907759 1050632831 /nfs/dbraw/zinc/63/28/31/1050632831.db2.gz SFFRQTMUEISBEW-UHFFFAOYSA-N -1 3 322.242 4.111 20 0 DIADHM CC(C)(C)c1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001144631152 1050637368 /nfs/dbraw/zinc/63/73/68/1050637368.db2.gz JEMGBNCUJQEALR-UHFFFAOYSA-N -1 3 301.361 4.010 20 0 DIADHM COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1C(F)(F)F ZINC001213381706 1050643866 /nfs/dbraw/zinc/64/38/66/1050643866.db2.gz AREUDPQARZKAIY-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM CC(C)COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213384504 1050644814 /nfs/dbraw/zinc/64/48/14/1050644814.db2.gz PYBXFYYAUSQREM-UHFFFAOYSA-N -1 3 321.323 4.227 20 0 DIADHM CC(C)Oc1c(F)cc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001213420133 1050651668 /nfs/dbraw/zinc/65/16/68/1050651668.db2.gz HYNBGGHIPNKSQY-UHFFFAOYSA-N -1 3 314.719 4.250 20 0 DIADHM O=c1cc(Nc2ccc(C3CC3)cc2F)[n-]n1-c1ccccc1 ZINC001213457574 1050660264 /nfs/dbraw/zinc/66/02/64/1050660264.db2.gz ZAMGFMSNURWLCU-UHFFFAOYSA-N -1 3 309.344 4.338 20 0 DIADHM CCN(Cc1cccs1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788274955 1050664337 /nfs/dbraw/zinc/66/43/37/1050664337.db2.gz RLJQSSTYPUFAGW-UHFFFAOYSA-N -1 3 317.435 4.331 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC2(C1)CCCCC2 ZINC000788305007 1050664531 /nfs/dbraw/zinc/66/45/31/1050664531.db2.gz FDMLJWHGNLJWTB-UHFFFAOYSA-N -1 3 315.438 4.403 20 0 DIADHM O=C(Nc1nc(C2CC2)cs1)c1cc2sccc2c([O-])c1 ZINC000788276951 1050665178 /nfs/dbraw/zinc/66/51/78/1050665178.db2.gz UGDFUDBSJJKABK-UHFFFAOYSA-N -1 3 316.407 4.193 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H]2CCC[C@H]21 ZINC000788308863 1050669371 /nfs/dbraw/zinc/66/93/71/1050669371.db2.gz YGUDGVCADMXKMS-BXUZGUMPSA-N -1 3 301.411 4.012 20 0 DIADHM Cc1ccc(-c2noc(-c3cc(Cl)n[n-]3)n2)c2ccccc12 ZINC001213500633 1050672581 /nfs/dbraw/zinc/67/25/81/1050672581.db2.gz MICVDCKRSPVYNL-UHFFFAOYSA-N -1 3 310.744 4.242 20 0 DIADHM Cc1cncc(Nc2cc(Br)cc(F)c2[O-])c1C ZINC001213533921 1050682592 /nfs/dbraw/zinc/68/25/92/1050682592.db2.gz CIJWYEXEKCQGII-UHFFFAOYSA-N -1 3 311.154 4.049 20 0 DIADHM CCN(Cc1ccc(Cl)s1)Cc1ccccc1CC(=O)[O-] ZINC000846233035 1050698840 /nfs/dbraw/zinc/69/88/40/1050698840.db2.gz WEHFOJXMEJEMDF-UHFFFAOYSA-N -1 3 323.845 4.051 20 0 DIADHM Nc1cc(Cl)ccc1Nc1cccc([O-])c1Br ZINC001213659890 1050711570 /nfs/dbraw/zinc/71/15/70/1050711570.db2.gz FFMZHXCZWYTXIA-UHFFFAOYSA-N -1 3 313.582 4.134 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1cnccc1C1CC1 ZINC001213881525 1050774606 /nfs/dbraw/zinc/77/46/06/1050774606.db2.gz ZUPOUOJRDGTRAY-UHFFFAOYSA-N -1 3 323.165 4.310 20 0 DIADHM COc1cc(F)c(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001214065272 1050807409 /nfs/dbraw/zinc/80/74/09/1050807409.db2.gz KNMLPSDFRFGWSF-UHFFFAOYSA-N -1 3 303.667 4.215 20 0 DIADHM C/C(=C\C(=O)Nc1ccc(Br)cc1[O-])C(C)(C)C ZINC000742537516 1050878687 /nfs/dbraw/zinc/87/86/87/1050878687.db2.gz LDJFAXGIXDTGKT-VQHVLOKHSA-N -1 3 312.207 4.086 20 0 DIADHM CCCN(Cc1ccccc1F)C(=O)c1ccc(CC)cc1[O-] ZINC001147499314 1050885271 /nfs/dbraw/zinc/88/52/71/1050885271.db2.gz FWIMVYBSCAWQKY-UHFFFAOYSA-N -1 3 315.388 4.146 20 0 DIADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001147547139 1050890708 /nfs/dbraw/zinc/89/07/08/1050890708.db2.gz JFANKCUQMSXFIR-VXGBXAGGSA-N -1 3 303.427 4.258 20 0 DIADHM CC(=O)c1cc(Nc2ccc(Cl)cc2[O-])cc(C(C)=O)c1 ZINC001214413539 1050895747 /nfs/dbraw/zinc/89/57/47/1050895747.db2.gz JEHTXAUVDOZSCS-UHFFFAOYSA-N -1 3 303.745 4.194 20 0 DIADHM Cn1nc(-c2ccccc2)cc1Nc1c(Cl)ccc([O-])c1F ZINC001214553814 1050939386 /nfs/dbraw/zinc/93/93/86/1050939386.db2.gz AXUSULDNKSNBBJ-UHFFFAOYSA-N -1 3 317.751 4.329 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccc(Br)nc2)c1F ZINC001214554511 1050939551 /nfs/dbraw/zinc/93/95/51/1050939551.db2.gz SRDPGYJPPQDRJA-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cncc(Br)c2)c1F ZINC001214554262 1050940043 /nfs/dbraw/zinc/94/00/43/1050940043.db2.gz OGLXJVFSZSCARH-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM Cc1nc(Cl)c(Nc2c(Cl)ccc([O-])c2F)c(Cl)n1 ZINC001214556274 1050941394 /nfs/dbraw/zinc/94/13/94/1050941394.db2.gz OEBYIXWOZXGJKX-UHFFFAOYSA-N -1 3 322.554 4.334 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cncc(C(F)(F)F)c2)c1F ZINC001214556361 1050942035 /nfs/dbraw/zinc/94/20/35/1050942035.db2.gz QGDRYJSKOXAYJT-UHFFFAOYSA-N -1 3 306.646 4.342 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2cc(-c3ccncn3)cs2)c1F ZINC001214558220 1050943070 /nfs/dbraw/zinc/94/30/70/1050943070.db2.gz SYNPQVLKNWDXLF-UHFFFAOYSA-N -1 3 321.764 4.447 20 0 DIADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)c2ncccc12 ZINC001214563368 1050943827 /nfs/dbraw/zinc/94/38/27/1050943827.db2.gz CILSCDAKYYYBBW-UHFFFAOYSA-N -1 3 318.735 4.485 20 0 DIADHM COc1ccc(Nc2c(Cl)ccc([O-])c2F)c(OC)c1F ZINC001214563650 1050944719 /nfs/dbraw/zinc/94/47/19/1050944719.db2.gz LFOIGNROJIMVMT-UHFFFAOYSA-N -1 3 315.703 4.085 20 0 DIADHM CCn1cc2cc(Nc3c(Cl)ccc([O-])c3F)ccc2n1 ZINC001214561380 1050945001 /nfs/dbraw/zinc/94/50/01/1050945001.db2.gz JIGOJLDBSAJWEI-UHFFFAOYSA-N -1 3 305.740 4.298 20 0 DIADHM CC(C)NC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214561224 1050945096 /nfs/dbraw/zinc/94/50/96/1050945096.db2.gz ALYAEZBVJGWNQD-UHFFFAOYSA-N -1 3 322.767 4.067 20 0 DIADHM Nc1cc(Cl)cc2c1ccn2-c1c(Cl)ccc([O-])c1F ZINC001214563784 1050947078 /nfs/dbraw/zinc/94/70/78/1050947078.db2.gz SJTUVTHVLROTHP-UHFFFAOYSA-N -1 3 311.143 4.364 20 0 DIADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2csc3ccccc32)n1 ZINC000790340138 1050956258 /nfs/dbraw/zinc/95/62/58/1050956258.db2.gz WJNGVPBNYHFMNB-RYUDHWBXSA-N -1 3 313.426 4.117 20 0 DIADHM C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@H](C)c1ccccc1 ZINC001148723971 1050966386 /nfs/dbraw/zinc/96/63/86/1050966386.db2.gz LAIMVQHWONRILW-LSDHHAIUSA-N -1 3 319.404 4.467 20 0 DIADHM COc1ccc(F)c(Nc2ccc(C)c([O-])c2Cl)c1OC ZINC001214702312 1050983524 /nfs/dbraw/zinc/98/35/24/1050983524.db2.gz HFCCPFOOEPCLMG-UHFFFAOYSA-N -1 3 311.740 4.254 20 0 DIADHM O=C([N-]c1cc(F)cc(F)c1F)c1csc(-c2ccoc2)n1 ZINC000348134811 1050990325 /nfs/dbraw/zinc/99/03/25/1050990325.db2.gz DTVNRRIJMMTGJK-UHFFFAOYSA-N -1 3 324.283 4.073 20 0 DIADHM C[C@H](c1ccccc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000791307181 1051040524 /nfs/dbraw/zinc/04/05/24/1051040524.db2.gz PDISWAVJCMKHRJ-GFCCVEGCSA-N -1 3 311.406 4.440 20 0 DIADHM O=C(NCc1cc2ccccc2o1)c1cc2sccc2c([O-])c1 ZINC000791327894 1051040837 /nfs/dbraw/zinc/04/08/37/1051040837.db2.gz PYFDBTAAWXDIFW-UHFFFAOYSA-N -1 3 323.373 4.283 20 0 DIADHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000791307182 1051040916 /nfs/dbraw/zinc/04/09/16/1051040916.db2.gz PDISWAVJCMKHRJ-LBPRGKRZSA-N -1 3 311.406 4.440 20 0 DIADHM Cc1cc(NC(=O)c2cc3sccc3c([O-])c2)cnc1Cl ZINC000791377637 1051044231 /nfs/dbraw/zinc/04/42/31/1051044231.db2.gz CNLRVEGSRNVRBD-UHFFFAOYSA-N -1 3 318.785 4.216 20 0 DIADHM CC(C)Oc1ccc(F)c(F)c1Nc1cc(F)c(F)cc1[O-] ZINC001215078696 1051071174 /nfs/dbraw/zinc/07/11/74/1051071174.db2.gz BLTYUMZDBIJKDA-UHFFFAOYSA-N -1 3 315.266 4.479 20 0 DIADHM COc1ccc2cccc(-c3noc(-c4ccccc4[O-])n3)c2c1 ZINC001215142291 1051086012 /nfs/dbraw/zinc/08/60/12/1051086012.db2.gz WFVXGKIANCXSTP-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1ccc(-c2noc(-c3ccccc3[O-])n2)cc1C(F)(F)F ZINC001215139978 1051086457 /nfs/dbraw/zinc/08/64/57/1051086457.db2.gz QECCCZPNPYFQGK-UHFFFAOYSA-N -1 3 320.270 4.436 20 0 DIADHM COc1ccc([O-])c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC001215153776 1051090040 /nfs/dbraw/zinc/09/00/40/1051090040.db2.gz MCHQJQGEZXSOFA-UHFFFAOYSA-N -1 3 324.380 4.415 20 0 DIADHM O=C(O[C@H]1CCOc2cc(F)ccc21)c1cc2ccsc2[n-]1 ZINC000766305100 1051113252 /nfs/dbraw/zinc/11/32/52/1051113252.db2.gz COPUJGVVTARNBB-ZDUSSCGKSA-N -1 3 317.341 4.049 20 0 DIADHM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1N(C)C ZINC000792052116 1051116166 /nfs/dbraw/zinc/11/61/66/1051116166.db2.gz GWGSESIXQWLYDA-UHFFFAOYSA-N -1 3 320.392 4.172 20 0 DIADHM CC(C)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccn1 ZINC000792191454 1051125595 /nfs/dbraw/zinc/12/55/95/1051125595.db2.gz VIZHVYNIUSUBEO-LJQANCHMSA-N -1 3 320.392 4.068 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(C(C)(C)C)ccn3)no2)c([O-])c1 ZINC001215296904 1051156474 /nfs/dbraw/zinc/15/64/74/1051156474.db2.gz DBMUJBDQKPYLQC-UHFFFAOYSA-N -1 3 309.369 4.110 20 0 DIADHM Cc1ccc(-c2nc(-c3cc(F)cc(C)c3F)no2)c([O-])c1 ZINC001215296963 1051156842 /nfs/dbraw/zinc/15/68/42/1051156842.db2.gz HXQJEGUBQHLQJY-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM [O-]c1ccc(Cl)c(Nc2ccnn2-c2ccc(F)cc2)c1F ZINC001214556436 1051166657 /nfs/dbraw/zinc/16/66/57/1051166657.db2.gz SDYRWJKXHACZGN-UHFFFAOYSA-N -1 3 321.714 4.253 20 0 DIADHM CCc1ccc(N(Cc2cc(=O)[n-]c(C3CC3)n2)CC2CC2)cc1 ZINC001170413199 1051204472 /nfs/dbraw/zinc/20/44/72/1051204472.db2.gz WTWCUEHZTJEWBG-UHFFFAOYSA-N -1 3 323.440 4.039 20 0 DIADHM [O-]c1c(-c2nc(-c3cccnc3)no2)cccc1-c1ccccc1 ZINC001215446001 1051206442 /nfs/dbraw/zinc/20/64/42/1051206442.db2.gz 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/nfs/dbraw/zinc/25/23/64/1051252364.db2.gz ZPOMUJCGLXPXHZ-UHFFFAOYSA-N -1 3 315.323 4.123 20 0 DIADHM CC(C)c1cc2ncc(Nc3c(Cl)ccc([O-])c3F)cn2n1 ZINC001214557598 1051258757 /nfs/dbraw/zinc/25/87/57/1051258757.db2.gz DEILFXUBPNDGKT-UHFFFAOYSA-N -1 3 320.755 4.094 20 0 DIADHM Cc1c(Cl)c(Nc2ccnc(C3CC3)c2)ccc1C(=O)[O-] ZINC001215691079 1051304733 /nfs/dbraw/zinc/30/47/33/1051304733.db2.gz ACJBNAYMTURIEJ-UHFFFAOYSA-N -1 3 302.761 4.363 20 0 DIADHM CCc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c([O-])c1 ZINC000189706783 1051358230 /nfs/dbraw/zinc/35/82/30/1051358230.db2.gz AKXHMUTWKAGGOI-SFHVURJKSA-N -1 3 324.424 4.107 20 0 DIADHM CC(C)Oc1cnc(F)c([N-]c2cc(-c3cccs3)no2)c1 ZINC001215783592 1051368358 /nfs/dbraw/zinc/36/83/58/1051368358.db2.gz XCKRKYXNQRLTKJ-UHFFFAOYSA-N -1 3 319.361 4.468 20 0 DIADHM CSc1ccc(F)c(Nc2cc(F)c(F)cc2[O-])c1F ZINC001215839564 1051404249 /nfs/dbraw/zinc/40/42/49/1051404249.db2.gz ULVQRYJKHNSSLY-UHFFFAOYSA-N -1 3 303.280 4.414 20 0 DIADHM O=c1ccnc(C=Cc2ccc(Oc3cccc(F)c3)cc2)[n-]1 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[O-]c1cc(Nc2ccc(OCC(F)(F)F)nc2)ccc1Cl ZINC001212589694 1051595376 /nfs/dbraw/zinc/59/53/76/1051595376.db2.gz YZPURBBAKSVXCX-UHFFFAOYSA-N -1 3 318.682 4.125 20 0 DIADHM [O-]c1ccc(Cl)c(O[C@@H](c2cccnc2)C(F)(F)F)c1F ZINC001234266016 1051600622 /nfs/dbraw/zinc/60/06/22/1051600622.db2.gz XZMSMAWCMBDWII-LBPRGKRZSA-N -1 3 321.657 4.262 20 0 DIADHM [O-]c1cc(Nc2cc(Br)ncc2F)ccc1Cl ZINC001212590510 1051626705 /nfs/dbraw/zinc/62/67/05/1051626705.db2.gz PTKXRSZQZCTPNU-UHFFFAOYSA-N -1 3 317.545 4.086 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000007052197 1051627851 /nfs/dbraw/zinc/62/78/51/1051627851.db2.gz NQFBXUFGSYRPDZ-UHFFFAOYSA-N -1 3 303.427 4.057 20 0 DIADHM [O-]c1cc(Nc2ccnn2-c2cccc(F)c2)ccc1Cl ZINC001212590608 1051631571 /nfs/dbraw/zinc/63/15/71/1051631571.db2.gz VBKBNBGZMNGDSI-UHFFFAOYSA-N -1 3 303.724 4.114 20 0 DIADHM O=C(/C=C/SCc1ccco1)Nc1c([O-])cccc1Cl ZINC000493629714 1051639060 /nfs/dbraw/zinc/63/90/60/1051639060.db2.gz LXUKOVLMJRBVFB-SOFGYWHQSA-N -1 3 309.774 4.024 20 0 DIADHM O=C(CCSCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000007685955 1051645206 /nfs/dbraw/zinc/64/52/06/1051645206.db2.gz MPWVLTKQAHWUPZ-UHFFFAOYSA-N -1 3 321.829 4.308 20 0 DIADHM [O-]c1cc(Nc2nc(F)c(F)c(Cl)c2F)ccc1Cl ZINC001212591671 1051645770 /nfs/dbraw/zinc/64/57/70/1051645770.db2.gz YLJSONOLPZJRNR-UHFFFAOYSA-N -1 3 309.074 4.255 20 0 DIADHM Cc1cccc(-c2cc(Nc3ccc(Cl)c([O-])c3)n(C)n2)c1 ZINC001212591647 1051646572 /nfs/dbraw/zinc/64/65/72/1051646572.db2.gz XBHMTSDHVIXQOT-UHFFFAOYSA-N -1 3 313.788 4.498 20 0 DIADHM CC(C)(C)c1cc2ncc(Nc3ccc(Cl)c([O-])c3)cn2n1 ZINC001212591400 1051646638 /nfs/dbraw/zinc/64/66/38/1051646638.db2.gz KHIBMPQNKCXYBO-UHFFFAOYSA-N -1 3 316.792 4.129 20 0 DIADHM [O-]c1cc(Nc2ccc3nc(C4CCC4)nn3c2)ccc1Cl ZINC001212591515 1051646683 /nfs/dbraw/zinc/64/66/83/1051646683.db2.gz QGMKTFSJWUBTDZ-UHFFFAOYSA-N -1 3 314.776 4.099 20 0 DIADHM CCOC(=O)c1ccc(C)c(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593251 1051665754 /nfs/dbraw/zinc/66/57/54/1051665754.db2.gz HMQQYNJFJBYGFL-UHFFFAOYSA-N -1 3 305.761 4.274 20 0 DIADHM CC1(C)CC(=O)Nc2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212593102 1051665831 /nfs/dbraw/zinc/66/58/31/1051665831.db2.gz CQVPUQJLPKFHAA-UHFFFAOYSA-N -1 3 316.788 4.409 20 0 DIADHM [O-]c1cc(Nc2cc(Br)ccc2O)ccc1Cl ZINC001212592640 1051667563 /nfs/dbraw/zinc/66/75/63/1051667563.db2.gz ZXIFAFFORKGXLJ-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM [O-]c1cc(Nc2ccc(O)cc2Br)ccc1Cl ZINC001212593983 1051681357 /nfs/dbraw/zinc/68/13/57/1051681357.db2.gz OLBOXOSPIYRCRW-UHFFFAOYSA-N -1 3 314.566 4.257 20 0 DIADHM Clc1ccnc(Cl)c1[N-]c1cc(-c2ccncc2)no1 ZINC001216301140 1051684473 /nfs/dbraw/zinc/68/44/73/1051684473.db2.gz YBKXMSGRWHGEBG-UHFFFAOYSA-N -1 3 307.140 4.182 20 0 DIADHM S=C1Cc2ccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc2[N-]1 ZINC001169762621 1051696301 /nfs/dbraw/zinc/69/63/01/1051696301.db2.gz JBAZBOLGXMJLTK-SJLPKXTDSA-N -1 3 324.449 4.314 20 0 DIADHM COC(=O)c1cccc(Nc2ccc(Cl)c([O-])c2)c1Cl ZINC001212595443 1051701925 /nfs/dbraw/zinc/70/19/25/1051701925.db2.gz 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/nfs/dbraw/zinc/80/96/73/1051809673.db2.gz BLHHQMBXFKZVRZ-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cccc([O-])c1-c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001216537305 1051811789 /nfs/dbraw/zinc/81/17/89/1051811789.db2.gz YWDYFKYALYJEQC-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1cc(-c2noc(-c3c(C)cccc3[O-])n2)ccc1Cl ZINC001216537325 1051811897 /nfs/dbraw/zinc/81/18/97/1051811897.db2.gz ZJBXLVDFFNZBJC-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM Cc1nnc([N-]c2ccccc2OCc2cccc(Cl)c2)o1 ZINC001216571056 1051820111 /nfs/dbraw/zinc/82/01/11/1051820111.db2.gz HXAWYXOMULLRHI-UHFFFAOYSA-N -1 3 315.760 4.354 20 0 DIADHM [O-]c1c(F)cc(Br)cc1Nc1ccc(F)c(F)c1 ZINC001173869328 1051840641 /nfs/dbraw/zinc/84/06/41/1051840641.db2.gz MMAPPHMXWJAHTA-UHFFFAOYSA-N -1 3 318.092 4.316 20 0 DIADHM COc1c(Nc2cc([O-])c(F)cc2F)cccc1C(F)(F)F ZINC001216634976 1051842815 /nfs/dbraw/zinc/84/28/15/1051842815.db2.gz FUWHNLQTQHCZIX-UHFFFAOYSA-N -1 3 319.229 4.441 20 0 DIADHM COc1cccc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001173826746 1051845761 /nfs/dbraw/zinc/84/57/61/1051845761.db2.gz DHNOLGTWSUWGML-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM Cc1cc(-c2noc(-c3cc([O-])cc(Cl)c3)n2)c(F)cc1F ZINC001216701841 1051866819 /nfs/dbraw/zinc/86/68/19/1051866819.db2.gz DIBCOZMBHWPGCM-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nc(-c3ncccc3C3CC3)no2)c1 ZINC001216702416 1051866868 /nfs/dbraw/zinc/86/68/68/1051866868.db2.gz RUEHWLRYJLOUBT-UHFFFAOYSA-N -1 3 313.744 4.035 20 0 DIADHM CC(C)(C)c1ccc(-c2noc(-c3cc(O)ccc3[O-])n2)cc1 ZINC001216735195 1051870239 /nfs/dbraw/zinc/87/02/39/1051870239.db2.gz BBZORXUNLQWFKL-UHFFFAOYSA-N -1 3 310.353 4.112 20 0 DIADHM Cc1ccc(F)cc1-c1noc(-c2cc([O-])c(C)c(F)c2)n1 ZINC001216895947 1051903258 /nfs/dbraw/zinc/90/32/58/1051903258.db2.gz NFJDRLIEODYZBC-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1ccc(F)c(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1 ZINC001216895666 1051903500 /nfs/dbraw/zinc/90/35/00/1051903500.db2.gz GPCPCGUFAAKNGF-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM Cc1c([O-])cc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc1F ZINC001216895686 1051903875 /nfs/dbraw/zinc/90/38/75/1051903875.db2.gz GZYMJOOKGDZYTA-UHFFFAOYSA-N -1 3 322.698 4.349 20 0 DIADHM Cc1cccc(-c2noc(-c3cc([O-])c(C)c(F)c3)n2)c1F ZINC001216896324 1051903997 /nfs/dbraw/zinc/90/39/97/1051903997.db2.gz YFBBRYWXWXOULU-UHFFFAOYSA-N -1 3 302.280 4.004 20 0 DIADHM [O-]c1cc(-c2nc(-c3ccccc3)no2)cc(C(F)(F)F)c1 ZINC001216896091 1051904363 /nfs/dbraw/zinc/90/43/63/1051904363.db2.gz SKPNOPRKPWGGFT-UHFFFAOYSA-N -1 3 306.243 4.128 20 0 DIADHM Oc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(C(F)(F)F)c1 ZINC001205104264 1051911236 /nfs/dbraw/zinc/91/12/36/1051911236.db2.gz FXQHVWGHUJOAHK-UHFFFAOYSA-N -1 3 309.312 4.373 20 0 DIADHM CCOc1cccc(-c2nc(-c3cc(C)cc(C)c3)no2)c1[O-] ZINC001216956091 1051916685 /nfs/dbraw/zinc/91/66/85/1051916685.db2.gz KMCKYRVPNQOOFL-UHFFFAOYSA-N -1 3 310.353 4.125 20 0 DIADHM CCOc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1[O-] ZINC001216955705 1051917081 /nfs/dbraw/zinc/91/70/81/1051917081.db2.gz APPVFAPHKIULIZ-UHFFFAOYSA-N -1 3 316.744 4.161 20 0 DIADHM CCOc1cccc(-c2nc(-c3cccc4occc43)no2)c1[O-] ZINC001216957157 1051917455 /nfs/dbraw/zinc/91/74/55/1051917455.db2.gz VSVZAVQOYGCPSG-UHFFFAOYSA-N -1 3 322.320 4.254 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001217085162 1051948013 /nfs/dbraw/zinc/94/80/13/1051948013.db2.gz HCUDVASENMOUTP-UHFFFAOYSA-N -1 3 310.353 4.241 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2cccc(Cl)c2C)no1 ZINC001217084923 1051948193 /nfs/dbraw/zinc/94/81/93/1051948193.db2.gz ACPFUTORKZQDHO-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM COc1cc([O-])ccc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001217085030 1051948803 /nfs/dbraw/zinc/94/88/03/1051948803.db2.gz FVBYKGQYXCMPKU-UHFFFAOYSA-N -1 3 324.361 4.333 20 0 DIADHM c1ccc2[n-]c(-c3nc(-c4cccc5ccccc54)no3)nc2c1 ZINC001217137173 1051973692 /nfs/dbraw/zinc/97/36/92/1051973692.db2.gz QNOUHDACHAPXTG-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM O=C(c1ccc(Nc2ccc([O-])c(Cl)c2)cc1)N1CCCC1 ZINC001174069977 1051991775 /nfs/dbraw/zinc/99/17/75/1051991775.db2.gz VITMZSDSXMZZFN-UHFFFAOYSA-N -1 3 316.788 4.025 20 0 DIADHM CCN(CC)C(=O)c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174165836 1052005729 /nfs/dbraw/zinc/00/57/29/1052005729.db2.gz DCWRPMOJSINFAC-UHFFFAOYSA-N -1 3 318.804 4.271 20 0 DIADHM COc1cc(F)ccc1Nc1cccc([O-])c1Br ZINC001174130162 1052007470 /nfs/dbraw/zinc/00/74/70/1052007470.db2.gz IETIJTCIIJQDCY-UHFFFAOYSA-N -1 3 312.138 4.046 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2ccc(Cl)cc2)no1 ZINC001217323411 1052025666 /nfs/dbraw/zinc/02/56/66/1052025666.db2.gz UOLCMAXKGOVVBH-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM Fc1cccc2c1n[n-]c2-c1nc(-c2ccccc2Cl)no1 ZINC001217323490 1052026055 /nfs/dbraw/zinc/02/60/55/1052026055.db2.gz YGLALFKGSWLBPG-UHFFFAOYSA-N -1 3 314.707 4.072 20 0 DIADHM COc1cccc(-c2noc(-c3ccc([O-])c4ccccc34)n2)c1 ZINC001217437050 1052054307 /nfs/dbraw/zinc/05/43/07/1052054307.db2.gz WVKJEEOJPHKBTG-UHFFFAOYSA-N -1 3 318.332 4.271 20 0 DIADHM Cc1cc(-c2noc(-c3c([O-])cnc4ccccc43)n2)ccc1F ZINC001217440842 1052057500 /nfs/dbraw/zinc/05/75/00/1052057500.db2.gz ATRHOMLLECJTFL-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(-c2noc(-c3ccc([O-])c4ncccc34)n2)c(F)c1 ZINC001217492109 1052073981 /nfs/dbraw/zinc/07/39/81/1052073981.db2.gz BFYFMEGQZPOXER-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc2ncc([O-])c(-c3nc(-c4cccc(F)c4)no3)c2c1 ZINC001217500357 1052075107 /nfs/dbraw/zinc/07/51/07/1052075107.db2.gz DMIAQDCPQDGHDC-UHFFFAOYSA-N -1 3 321.311 4.105 20 0 DIADHM Cc1ccc(C(=O)N(C)c2ccc3ccccc3c2)c([O-])c1C ZINC000769648640 1052090983 /nfs/dbraw/zinc/09/09/83/1052090983.db2.gz HZOVKOIVBMVVHA-UHFFFAOYSA-N -1 3 305.377 4.439 20 0 DIADHM Fc1cccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1Cl ZINC001242573150 1052155641 /nfs/dbraw/zinc/15/56/41/1052155641.db2.gz PTHVLEHIICPKHD-UHFFFAOYSA-N -1 3 308.687 4.244 20 0 DIADHM [O-]c1cccc(NC2=CCCN(Cc3ccccc3)C2)c1Cl ZINC001174394145 1052115817 /nfs/dbraw/zinc/11/58/17/1052115817.db2.gz GSFUTHSHYGOUHV-UHFFFAOYSA-N -1 3 314.816 4.247 20 0 DIADHM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(Cl)cc3[O-])c21 ZINC000153519123 1052188284 /nfs/dbraw/zinc/18/82/84/1052188284.db2.gz QFNIKCOPPKWOTF-UHFFFAOYSA-N -1 3 314.772 4.017 20 0 DIADHM Cc1cc2cnc([N-][C@@H](c3ccccn3)C(F)(F)F)nc2s1 ZINC001168479911 1052246509 /nfs/dbraw/zinc/24/65/09/1052246509.db2.gz JMSWBJFYNLTILD-NSHDSACASA-N -1 3 324.331 4.110 20 0 DIADHM C[C@H](Oc1nc2ccsc2[n-]1)c1c(Cl)cncc1Cl ZINC001234848315 1052260761 /nfs/dbraw/zinc/26/07/61/1052260761.db2.gz PCARKUFLNULDIO-LURJTMIESA-N -1 3 314.197 4.466 20 0 DIADHM C[C@H](Oc1nc2sccc2[n-]1)c1c(Cl)cncc1Cl ZINC001234848315 1052260767 /nfs/dbraw/zinc/26/07/67/1052260767.db2.gz PCARKUFLNULDIO-LURJTMIESA-N -1 3 314.197 4.466 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1OCC1CC1 ZINC000303119397 1052314490 /nfs/dbraw/zinc/31/44/90/1052314490.db2.gz LZHZIFWXWYOKBQ-UHFFFAOYSA-N -1 3 317.772 4.087 20 0 DIADHM CCc1ccccc1NCc1cccc([O-])c1Br ZINC000315090679 1052331221 /nfs/dbraw/zinc/33/12/21/1052331221.db2.gz VFXRFSVZEFWXFF-UHFFFAOYSA-N -1 3 306.203 4.329 20 0 DIADHM C[C@@H]1C[C@H](CC(=O)NCc2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000303749454 1052341062 /nfs/dbraw/zinc/34/10/62/1052341062.db2.gz BJNIXNGPFAZMDH-TZMCWYRMSA-N -1 3 307.409 4.000 20 0 DIADHM CC(C)c1ccc2cc(C(=O)Nc3cccc([O-])c3F)[nH]c2c1 ZINC000762313715 1052364944 /nfs/dbraw/zinc/36/49/44/1052364944.db2.gz VBFSILOJHJTZCS-UHFFFAOYSA-N -1 3 312.344 4.388 20 0 DIADHM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000915385060 1052406073 /nfs/dbraw/zinc/40/60/73/1052406073.db2.gz ROZRFUSFFAYSAQ-CABZTGNLSA-N -1 3 320.216 4.074 20 0 DIADHM COc1cc(C)ccc1-c1noc(-c2cc([O-])ccc2Cl)n1 ZINC000318462110 1052406691 /nfs/dbraw/zinc/40/66/91/1052406691.db2.gz SJABDDZCIVTLJH-UHFFFAOYSA-N -1 3 316.744 4.080 20 0 DIADHM Cc1cc([C@H](C)NC(=O)c2cc([O-])ccc2Cl)c(C)s1 ZINC000235505781 1052414163 /nfs/dbraw/zinc/41/41/63/1052414163.db2.gz IBLXBMINJFLAAB-VIFPVBQESA-N -1 3 309.818 4.215 20 0 DIADHM Cc1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)c([O-])c1 ZINC000316393352 1052460504 /nfs/dbraw/zinc/46/05/04/1052460504.db2.gz YVMRGSSUOHBCLC-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM Cc1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)c([O-])c1 ZINC000317013399 1052476353 /nfs/dbraw/zinc/47/63/53/1052476353.db2.gz WTCWKVLAEKBZPJ-UHFFFAOYSA-N -1 3 318.735 4.134 20 0 DIADHM C/C=C\c1ccc(OC(=O)c2cc3ccsc3[n-]2)c(OC)c1 ZINC000916857187 1052661004 /nfs/dbraw/zinc/66/10/04/1052661004.db2.gz PVSNHYSYTVGZPS-ARJAWSKDSA-N -1 3 313.378 4.490 20 0 DIADHM Cc1oncc1CSc1nnc([N-]c2ccccc2F)s1 ZINC000126102891 1052666186 /nfs/dbraw/zinc/66/61/86/1052666186.db2.gz VHOLGCJGFNIRIL-UHFFFAOYSA-N -1 3 322.390 4.010 20 0 DIADHM CC(C)[C@H](CC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000128174013 1052711691 /nfs/dbraw/zinc/71/16/91/1052711691.db2.gz LYWRBXLFYJEKQL-AWEZNQCLSA-N -1 3 301.361 4.300 20 0 DIADHM [O-]c1coc2cc(O[C@H]3Cc4cccc5cccc3c45)ccc12 ZINC001225341921 1052776112 /nfs/dbraw/zinc/77/61/12/1052776112.db2.gz GKFYULDLCLCIHA-IBGZPJMESA-N -1 3 302.329 4.091 20 0 DIADHM C[C@@H](Oc1ccc2c([O-])coc2c1)c1cc(-c2ccccc2)no1 ZINC001225340440 1052776157 /nfs/dbraw/zinc/77/61/57/1052776157.db2.gz MZIWOXDWXVHLNO-GFCCVEGCSA-N -1 3 321.332 4.057 20 0 DIADHM [O-]c1coc2cc(O[C@@H]3Cc4cccc5cccc3c45)ccc12 ZINC001225341925 1052776177 /nfs/dbraw/zinc/77/61/77/1052776177.db2.gz GKFYULDLCLCIHA-LJQANCHMSA-N -1 3 302.329 4.091 20 0 DIADHM CC(C)=CCOc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129162458 1052778075 /nfs/dbraw/zinc/77/80/75/1052778075.db2.gz HSLDKVYVJPKBIS-UHFFFAOYSA-N -1 3 315.344 4.129 20 0 DIADHM O=C1CCc2ccc(OC(=C([O-])c3ccco3)c3ccco3)cc21 ZINC001225358156 1052779113 /nfs/dbraw/zinc/77/91/13/1052779113.db2.gz HBFGRTCHKRIFKX-LJQANCHMSA-N -1 3 322.316 4.005 20 0 DIADHM CCOc1cc(/C=C2/Cc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000033476408 1052781190 /nfs/dbraw/zinc/78/11/90/1052781190.db2.gz DXFUKNKUIBYRPW-QPEQYQDCSA-N -1 3 314.768 4.267 20 0 DIADHM CC(C)c1ccc(CCC(=O)Nc2cccc([O-])c2F)cc1 ZINC000129513044 1052793189 /nfs/dbraw/zinc/79/31/89/1052793189.db2.gz HRGXFZDNZJSTEW-UHFFFAOYSA-N -1 3 301.361 4.226 20 0 DIADHM CCC[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225576819 1052804201 /nfs/dbraw/zinc/80/42/01/1052804201.db2.gz MPTDGTAMLCKKED-GFCCVEGCSA-N -1 3 312.291 4.121 20 0 DIADHM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000129733780 1052809945 /nfs/dbraw/zinc/80/99/45/1052809945.db2.gz ICZVRTSPRKDNEK-INIZCTEOSA-N -1 3 319.401 4.287 20 0 DIADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001225741829 1052824311 /nfs/dbraw/zinc/82/43/11/1052824311.db2.gz DKSANTJUPFHAFI-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM Cc1ccc([C@@H](Oc2[n-]c(=S)ncc2C)C(F)(F)F)cc1 ZINC001225742606 1052824590 /nfs/dbraw/zinc/82/45/90/1052824590.db2.gz NPTHCUKLXNDYPF-LLVKDONJSA-N -1 3 314.332 4.065 20 0 DIADHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(F)c1 ZINC000919047624 1052849446 /nfs/dbraw/zinc/84/94/46/1052849446.db2.gz YPPZDJUFEIZRNO-SSDOTTSWSA-N -1 3 302.132 4.379 20 0 DIADHM Cc1ccccc1[C@@H](C)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225853416 1052838730 /nfs/dbraw/zinc/83/87/30/1052838730.db2.gz QCJDTOWBAAXBBO-SECBINFHSA-N -1 3 314.332 4.233 20 0 DIADHM C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1cccc(F)c1 ZINC001225852811 1052838922 /nfs/dbraw/zinc/83/89/22/1052838922.db2.gz LGPRISRAEVXLNW-SSDOTTSWSA-N -1 3 318.295 4.063 20 0 DIADHM C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1F ZINC001225854536 1052839129 /nfs/dbraw/zinc/83/91/29/1052839129.db2.gz VOWOCTKJDSRECN-ZETCQYMHSA-N -1 3 318.295 4.063 20 0 DIADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(F)cc1F ZINC000918939938 1052843240 /nfs/dbraw/zinc/84/32/40/1052843240.db2.gz QWCNEHJFQJHDOF-QMMMGPOBSA-N -1 3 307.321 4.426 20 0 DIADHM CCCCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000194841880 1052854827 /nfs/dbraw/zinc/85/48/27/1052854827.db2.gz FEUAPGKIRKOJTL-UHFFFAOYSA-N -1 3 320.439 4.278 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H]2CC[C@H](C(F)(F)F)CC2)c1 ZINC001225995826 1052856954 /nfs/dbraw/zinc/85/69/54/1052856954.db2.gz SXSVBFAGXNERDL-HAQNSBGRSA-N -1 3 302.292 4.095 20 0 DIADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(Cl)s3)n[n-]2)o1 ZINC000919327003 1052863568 /nfs/dbraw/zinc/86/35/68/1052863568.db2.gz WCSDGLXUKZLRIN-UHFFFAOYSA-N -1 3 322.773 4.050 20 0 DIADHM Cc1ccc(-c2cc(C(=O)OCc3ccc(Cl)s3)[n-]n2)o1 ZINC000919327003 1052863572 /nfs/dbraw/zinc/86/35/72/1052863572.db2.gz WCSDGLXUKZLRIN-UHFFFAOYSA-N -1 3 322.773 4.050 20 0 DIADHM CC[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1F ZINC001226121068 1052870659 /nfs/dbraw/zinc/87/06/59/1052870659.db2.gz YNGWAJBFGQWUJN-AWEZNQCLSA-N -1 3 304.390 4.312 20 0 DIADHM C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(Cl)c1 ZINC001226120118 1052870708 /nfs/dbraw/zinc/87/07/08/1052870708.db2.gz QGPLSXMTUQVIBA-VIFPVBQESA-N -1 3 306.818 4.436 20 0 DIADHM FC(F)(F)[C@H]1CC[C@H](Oc2[n-]c(=S)ncc2C2CC2)CC1 ZINC001226120356 1052870786 /nfs/dbraw/zinc/87/07/86/1052870786.db2.gz SNLWSZQKAQSJBB-MGCOHNPYSA-N -1 3 318.364 4.143 20 0 DIADHM CCOc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2C2CC2)cc1 ZINC001226119383 1052870896 /nfs/dbraw/zinc/87/08/96/1052870896.db2.gz NKQBFPJZIWODHS-LLVKDONJSA-N -1 3 316.426 4.181 20 0 DIADHM CCc1nc(O[C@H](C)c2cc3ccccc3s2)cc(=O)[n-]1 ZINC001226473422 1052899794 /nfs/dbraw/zinc/89/97/94/1052899794.db2.gz XEVLIJWXBOGJIK-SNVBAGLBSA-N -1 3 300.383 4.099 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H]2Cc3cccc4cccc2c34)c1O ZINC001226478696 1052900285 /nfs/dbraw/zinc/90/02/85/1052900285.db2.gz HNXGTDQGMPMGMI-QGZVFWFLSA-N -1 3 320.344 4.130 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@@H](C)c2csc(Cl)c2)c1O ZINC001226478313 1052900301 /nfs/dbraw/zinc/90/03/01/1052900301.db2.gz DXPOYUGYUVCTCM-QMMMGPOBSA-N -1 3 312.774 4.155 20 0 DIADHM CC(=O)c1ccc([O-])c(O[C@H](C)c2cc(Cl)ccc2C)c1O ZINC001226482443 1052901346 /nfs/dbraw/zinc/90/13/46/1052901346.db2.gz NQWOTUXQYFCERJ-LLVKDONJSA-N -1 3 320.772 4.402 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H]3C[C@H](C)CC[C@H]3C)cc12 ZINC001226531916 1052907535 /nfs/dbraw/zinc/90/75/35/1052907535.db2.gz JPLCGCHOGGPVKN-UEKVPHQBSA-N -1 3 302.370 4.011 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@H](C)c3cccc(F)c3)cc12 ZINC001226531910 1052907553 /nfs/dbraw/zinc/90/75/53/1052907553.db2.gz JNNGNOQPFLDRQE-LLVKDONJSA-N -1 3 314.312 4.086 20 0 DIADHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)c3ccccc3F)cc12 ZINC001226533881 1052908479 /nfs/dbraw/zinc/90/84/79/1052908479.db2.gz JQUPZMHDWCAZKM-NSHDSACASA-N -1 3 314.312 4.086 20 0 DIADHM O=c1ccc2ccc([O-])c(O[C@@H](c3ccccc3)C3CC3)c2o1 ZINC001226596696 1052914094 /nfs/dbraw/zinc/91/40/94/1052914094.db2.gz YYUZFEMADAYWHP-KRWDZBQOSA-N -1 3 308.333 4.029 20 0 DIADHM [O-]c1cccc(O[C@H]2C[C@@H](OCc3ccccc3)C2)c1Cl ZINC001226709783 1052923968 /nfs/dbraw/zinc/92/39/68/1052923968.db2.gz SHSQYKHZIQGEJA-OKILXGFUSA-N -1 3 304.773 4.172 20 0 DIADHM Cc1cc(OC2c3ccccc3-c3ccccc32)[n-]c(=S)n1 ZINC001226799037 1052932454 /nfs/dbraw/zinc/93/24/54/1052932454.db2.gz PAOOPCWAGDNMIT-UHFFFAOYSA-N -1 3 306.390 4.223 20 0 DIADHM Cc1cc(O[C@H](C)c2cc3ccccc3s2)[n-]c(=S)n1 ZINC001226800117 1052932581 /nfs/dbraw/zinc/93/25/81/1052932581.db2.gz DIUHSVAKNJEIQE-SNVBAGLBSA-N -1 3 302.424 4.428 20 0 DIADHM Cc1cc(O[C@@H](C)c2ccc(C(F)(F)F)cc2)[n-]c(=S)n1 ZINC001226798150 1052932646 /nfs/dbraw/zinc/93/26/46/1052932646.db2.gz GTVSFCZMFMUOBR-VIFPVBQESA-N -1 3 314.332 4.233 20 0 DIADHM Cc1ccccc1[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1 ZINC001226938345 1052946276 /nfs/dbraw/zinc/94/62/76/1052946276.db2.gz YIXBRQWUKVFIEX-KRWDZBQOSA-N -1 3 308.406 4.242 20 0 DIADHM O=c1cc(O[C@@H](c2ccccc2)c2cccc(Cl)c2)nc[n-]1 ZINC001226947756 1052946752 /nfs/dbraw/zinc/94/67/52/1052946752.db2.gz VGWXZGLGHTYRPR-KRWDZBQOSA-N -1 3 312.756 4.004 20 0 DIADHM O=c1cc(O[C@@H](c2ccccc2)c2ccccc2Cl)nc[n-]1 ZINC001226945479 1052946764 /nfs/dbraw/zinc/94/67/64/1052946764.db2.gz VWFHZZRGZHFYEZ-KRWDZBQOSA-N -1 3 312.756 4.004 20 0 DIADHM COc1ccc2cc([C@H](C)Oc3ccnc(=S)[n-]3)ccc2c1 ZINC001226940135 1052947021 /nfs/dbraw/zinc/94/70/21/1052947021.db2.gz OKVUGJITVWSIOD-NSHDSACASA-N -1 3 312.394 4.067 20 0 DIADHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccc(Cl)cc1Cl ZINC001226940369 1052947061 /nfs/dbraw/zinc/94/70/61/1052947061.db2.gz PWSMCMUKSCVYMV-SSDOTTSWSA-N -1 3 301.198 4.212 20 0 DIADHM O=c1[n-]cncc1O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001227049897 1052956519 /nfs/dbraw/zinc/95/65/19/1052956519.db2.gz XQVVUMMDBZSULH-INIZCTEOSA-N -1 3 312.756 4.004 20 0 DIADHM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000921076349 1052961245 /nfs/dbraw/zinc/96/12/45/1052961245.db2.gz RSSMEGQBADJIQK-JTQLQIEISA-N -1 3 307.752 4.002 20 0 DIADHM Cc1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])c(F)c2)cc1 ZINC000078551327 1052986288 /nfs/dbraw/zinc/98/62/88/1052986288.db2.gz PHESVPNSENBRFC-UHFFFAOYSA-N -1 3 322.339 4.154 20 0 DIADHM C[C@H](Oc1c([O-])cc(Br)cc1F)c1cccs1 ZINC001227583922 1053001827 /nfs/dbraw/zinc/00/18/27/1053001827.db2.gz OPBFSSKRJHCXML-ZETCQYMHSA-N -1 3 317.179 4.495 20 0 DIADHM C[C@H](Oc1ncc(Cl)cc1[O-])c1cc(-c2ccccc2)no1 ZINC001227982337 1053033331 /nfs/dbraw/zinc/03/33/31/1053033331.db2.gz CJKFPCAUKXLYKZ-JTQLQIEISA-N -1 3 316.744 4.236 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H](C)c1ncccc1F ZINC001228130456 1053046513 /nfs/dbraw/zinc/04/65/13/1053046513.db2.gz ARHPZWXWPDBFSX-GFCCVEGCSA-N -1 3 317.360 4.221 20 0 DIADHM CCCc1c([O-])ccc(C(C)=O)c1O[C@H]1CC=C(OC)CC1 ZINC001228138082 1053046935 /nfs/dbraw/zinc/04/69/35/1053046935.db2.gz ZWFHMCSYBDVLAB-AWEZNQCLSA-N -1 3 304.386 4.009 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@@H]2CCCC[C@H]2F)c1 ZINC001228153529 1053047887 /nfs/dbraw/zinc/04/78/87/1053047887.db2.gz GBDXDZIIYZRTMM-NVXWUHKLSA-N -1 3 314.356 4.283 20 0 DIADHM O=C(c1ccccc1)c1ccc([O-])c(O[C@H]2CCCC[C@@H]2F)c1 ZINC001228153530 1053047992 /nfs/dbraw/zinc/04/79/92/1053047992.db2.gz GBDXDZIIYZRTMM-RDJZCZTQSA-N -1 3 314.356 4.283 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000617251485 1053115530 /nfs/dbraw/zinc/11/55/30/1053115530.db2.gz WLVFCALMTCHPPJ-UHFFFAOYSA-N -1 3 308.790 4.180 20 0 DIADHM CSc1cc(Cl)ccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000617253735 1053117340 /nfs/dbraw/zinc/11/73/40/1053117340.db2.gz YTFLHAYLPFNVCS-UHFFFAOYSA-N -1 3 322.817 4.181 20 0 DIADHM Cc1ccc2c(c1)[C@H](Oc1c([O-])ccc3c(C)cc(=O)oc31)CC2 ZINC001228628309 1053149529 /nfs/dbraw/zinc/14/95/29/1053149529.db2.gz JTKMZEJUEYGGIG-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H]1CCCc2ccccc21 ZINC001228623600 1053150319 /nfs/dbraw/zinc/15/03/19/1053150319.db2.gz SROBZIGCBAPFRD-QGZVFWFLSA-N -1 3 322.360 4.263 20 0 DIADHM Cc1cccc2c1CC[C@H]2Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228629890 1053150336 /nfs/dbraw/zinc/15/03/36/1053150336.db2.gz OAALRNUEPFBWEP-QGZVFWFLSA-N -1 3 322.360 4.182 20 0 DIADHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1ccc2ccccc2c1 ZINC001228694646 1053160944 /nfs/dbraw/zinc/16/09/44/1053160944.db2.gz CYAKLVMJBHFLSD-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1ccc2ccccc2c1 ZINC001228694646 1053160949 /nfs/dbraw/zinc/16/09/49/1053160949.db2.gz CYAKLVMJBHFLSD-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1ccc2ccccc2c1 ZINC001228694646 1053160954 /nfs/dbraw/zinc/16/09/54/1053160954.db2.gz CYAKLVMJBHFLSD-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1cc2ccccc2s1 ZINC001228694969 1053161438 /nfs/dbraw/zinc/16/14/38/1053161438.db2.gz HPVNFPBVZIBNPB-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1cc2ccccc2s1 ZINC001228694969 1053161446 /nfs/dbraw/zinc/16/14/46/1053161446.db2.gz HPVNFPBVZIBNPB-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1cc2ccccc2s1 ZINC001228694969 1053161452 /nfs/dbraw/zinc/16/14/52/1053161452.db2.gz HPVNFPBVZIBNPB-NSHDSACASA-N -1 3 322.393 4.221 20 0 DIADHM O=C([N-]c1cc(F)c(F)cc1F)c1ocnc1-c1ccccc1 ZINC001359996980 1053174727 /nfs/dbraw/zinc/17/47/27/1053174727.db2.gz IFHJZGNLFSHYGS-UHFFFAOYSA-N -1 3 318.254 4.011 20 0 DIADHM O=C1CCc2cc([O-])c(O[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc21 ZINC001228854266 1053194778 /nfs/dbraw/zinc/19/47/78/1053194778.db2.gz PXVLFJMXFVJXCG-GZBFAFLISA-N -1 3 300.398 4.259 20 0 DIADHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@H](C)c1ncccc1F ZINC001228959203 1053212785 /nfs/dbraw/zinc/21/27/85/1053212785.db2.gz VHMSNAUJQAVPIX-GFCCVEGCSA-N -1 3 317.360 4.392 20 0 DIADHM C[C@@H]1CC[C@@H](C)[C@H](Oc2cc(O)cc([O-])c2Br)C1 ZINC001229098650 1053245574 /nfs/dbraw/zinc/24/55/74/1053245574.db2.gz GMYFEKCDYYQSSS-KBVBSXBZSA-N -1 3 315.207 4.064 20 0 DIADHM Cc1ccccc1[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229099593 1053245680 /nfs/dbraw/zinc/24/56/80/1053245680.db2.gz MEMHPRNEUKDPPA-SNVBAGLBSA-N -1 3 323.186 4.309 20 0 DIADHM Cc1ccc([C@H](C)Oc2cc(O)cc([O-])c2Br)cc1 ZINC001229096912 1053246543 /nfs/dbraw/zinc/24/65/43/1053246543.db2.gz MRODUPZZEMNPTP-JTQLQIEISA-N -1 3 323.186 4.309 20 0 DIADHM CC[C@@H]1CCCC[C@@H]1Oc1cc(O)cc([O-])c1Br ZINC001229100197 1053246865 /nfs/dbraw/zinc/24/68/65/1053246865.db2.gz QSOQSPCOUPUYEQ-SKDRFNHKSA-N -1 3 315.207 4.208 20 0 DIADHM CCCC/C=C/[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229097555 1053247047 /nfs/dbraw/zinc/24/70/47/1053247047.db2.gz UCFWWGUDKYGWLN-FGEFZZPRSA-N -1 3 315.207 4.374 20 0 DIADHM CCCC[C@@H](CC)Oc1cc(O)cc([O-])c1Br ZINC001229098212 1053247112 /nfs/dbraw/zinc/24/71/12/1053247112.db2.gz CZPYKLQKKAVPIJ-SNVBAGLBSA-N -1 3 303.196 4.208 20 0 DIADHM CC(C)[C@@H](Oc1cccc([O-])c1Br)C(F)(F)F ZINC001229140233 1053257679 /nfs/dbraw/zinc/25/76/79/1053257679.db2.gz YHAYFHCFJGLYQX-SNVBAGLBSA-N -1 3 313.113 4.120 20 0 DIADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1F ZINC001319748295 1053270899 /nfs/dbraw/zinc/27/08/99/1053270899.db2.gz NDEXXQAQERDGNV-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM O=c1cc(-c2ccccc2)c2cc(OC3CC=CC3)c([O-])cc2o1 ZINC001229268030 1053287658 /nfs/dbraw/zinc/28/76/58/1053287658.db2.gz ZOFZHLAYLNBCKP-UHFFFAOYSA-N -1 3 320.344 4.263 20 0 DIADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1F ZINC001320248412 1053317652 /nfs/dbraw/zinc/31/76/52/1053317652.db2.gz UKKKWXPCNHKGHR-MRVPVSSYSA-N -1 3 311.715 4.066 20 0 DIADHM Cc1ccc([C@H](C)Oc2nc(=S)[n-]c3sccc32)cc1 ZINC001229570056 1053356536 /nfs/dbraw/zinc/35/65/36/1053356536.db2.gz NNQRXIOAPLLVJQ-JTQLQIEISA-N -1 3 302.424 4.428 20 0 DIADHM [O-]c1cccc(F)c1NC(=S)Nc1cccc2ccccc21 ZINC001200104085 1053382505 /nfs/dbraw/zinc/38/25/05/1053382505.db2.gz PQHKJLXNBFAQSP-UHFFFAOYSA-N -1 3 312.369 4.493 20 0 DIADHM Cc1nc(O[C@H](C)c2cc3ccccc3s2)c(C)c(=O)[n-]1 ZINC001229684141 1053383969 /nfs/dbraw/zinc/38/39/69/1053383969.db2.gz WXCSFIMQXHWSQB-SNVBAGLBSA-N -1 3 300.383 4.154 20 0 DIADHM Cc1nc(O[C@@H](C)c2cc3ccccc3s2)c(C)c(=O)[n-]1 ZINC001229684140 1053384015 /nfs/dbraw/zinc/38/40/15/1053384015.db2.gz WXCSFIMQXHWSQB-JTQLQIEISA-N -1 3 300.383 4.154 20 0 DIADHM CC[C@H](C)Oc1c(C(C)=O)c(C)cc2cc(OC)cc([O-])c21 ZINC001229806984 1053406468 /nfs/dbraw/zinc/40/64/68/1053406468.db2.gz DSAXWULRNCOQTF-NSHDSACASA-N -1 3 302.370 4.242 20 0 DIADHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@H](C)C(C)C)c1 ZINC001229811635 1053408483 /nfs/dbraw/zinc/40/84/83/1053408483.db2.gz SNQVYDKHBXAWOO-CYBMUJFWSA-N -1 3 316.397 4.488 20 0 DIADHM Cc1ccc(-c2csc([N-]c3ncnc4ncccc34)n2)cc1 ZINC000163093539 1053492596 /nfs/dbraw/zinc/49/25/96/1053492596.db2.gz PTYZEGMDVMTLQI-UHFFFAOYSA-N -1 3 319.393 4.200 20 0 DIADHM C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263346643 1053611970 /nfs/dbraw/zinc/61/19/70/1053611970.db2.gz OTJCQFPAEZWSFY-OUAUKWLOSA-N -1 3 316.228 4.097 20 0 DIADHM [O-]c1cccc(O)c1-c1nc(-c2ccc(F)c3ccccc23)no1 ZINC000326376775 1053618944 /nfs/dbraw/zinc/61/89/44/1053618944.db2.gz KWZYZFDJROOGQS-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM [O-]c1ccc(O)cc1-c1nc(-c2ccc(F)c3ccccc23)no1 ZINC000326392236 1053619274 /nfs/dbraw/zinc/61/92/74/1053619274.db2.gz OMJZIYNSQRYZIK-UHFFFAOYSA-N -1 3 322.295 4.107 20 0 DIADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2c1 ZINC001231072329 1053667175 /nfs/dbraw/zinc/66/71/75/1053667175.db2.gz ATWJJPMAICOBIT-CYBMUJFWSA-N -1 3 316.364 4.160 20 0 DIADHM CC(C)Oc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000620526067 1053675163 /nfs/dbraw/zinc/67/51/63/1053675163.db2.gz HPKMVSNBAYCMRX-UHFFFAOYSA-N -1 3 319.788 4.014 20 0 DIADHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])o1 ZINC000620636059 1053692227 /nfs/dbraw/zinc/69/22/27/1053692227.db2.gz KNBKWJIJRNDANA-GXFFZTMASA-N -1 3 319.788 4.333 20 0 DIADHM C[C@@H](Oc1ccccc1Oc1ccccc1[O-])c1cncnc1 ZINC001231219902 1053703825 /nfs/dbraw/zinc/70/38/25/1053703825.db2.gz BENVVZFEIUKUAK-CYBMUJFWSA-N -1 3 308.337 4.115 20 0 DIADHM Cc1c([C@@H](C)Oc2ccccc2Oc2ccccc2[O-])cnn1C ZINC001231218319 1053703863 /nfs/dbraw/zinc/70/38/63/1053703863.db2.gz IKMRZXOHMZTRDL-CQSZACIVSA-N -1 3 324.380 4.366 20 0 DIADHM [O-]c1ccccc1Oc1ccccc1OC[C@H]1CCCCO1 ZINC001231222899 1053706703 /nfs/dbraw/zinc/70/67/03/1053706703.db2.gz KKELYBICJXXFOH-CQSZACIVSA-N -1 3 300.354 4.132 20 0 DIADHM O=C(N[C@@H]1CCc2ccccc21)c1cc2sccc2c([O-])c1 ZINC001300453380 1053711773 /nfs/dbraw/zinc/71/17/73/1053711773.db2.gz QFXUWAOENQMUEB-OAHLLOKOSA-N -1 3 309.390 4.024 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1F ZINC001231459244 1053756877 /nfs/dbraw/zinc/75/68/77/1053756877.db2.gz KJKBUQBSLFFSHH-SFHVURJKSA-N -1 3 313.372 4.169 20 0 DIADHM CCN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(Cl)cc1 ZINC001231465126 1053759593 /nfs/dbraw/zinc/75/95/93/1053759593.db2.gz CILHLBKJKLZZIP-UHFFFAOYSA-N -1 3 309.818 4.122 20 0 DIADHM O=C(OCc1cccc(C(F)F)c1)c1cccc(Cl)c1[O-] ZINC001436101754 1053778016 /nfs/dbraw/zinc/77/80/16/1053778016.db2.gz NJDWESKFMCSEKH-UHFFFAOYSA-N -1 3 312.699 4.340 20 0 DIADHM [O-]c1ccc(CN2Cc3cccc(F)c3C2)cc1C(F)(F)F ZINC001231523283 1053779317 /nfs/dbraw/zinc/77/93/17/1053779317.db2.gz TZNSXXZYSZFVSL-UHFFFAOYSA-N -1 3 311.278 4.066 20 0 DIADHM CC1(C)CN(Cc2ccc([O-])c(C(F)(F)F)c2)CCC1(F)F ZINC001231523707 1053781087 /nfs/dbraw/zinc/78/10/87/1053781087.db2.gz WKNRHFJVKBUOTE-UHFFFAOYSA-N -1 3 323.305 4.278 20 0 DIADHM [O-]c1cccc(F)c1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC001200588205 1053793444 /nfs/dbraw/zinc/79/34/44/1053793444.db2.gz RBPLEQZWWQPSKL-UHFFFAOYSA-N -1 3 314.744 4.133 20 0 DIADHM [O-]c1cccc(CN[C@H]2CCSc3ccccc32)c1Cl ZINC000294255229 1054074755 /nfs/dbraw/zinc/07/47/55/1054074755.db2.gz USDBLYWFXDOXEU-ZDUSSCGKSA-N -1 3 305.830 4.372 20 0 DIADHM O=C([N-]c1c(F)cccc1F)c1cc2ccnc(Cl)c2s1 ZINC001355198499 1054077737 /nfs/dbraw/zinc/07/77/37/1054077737.db2.gz AXMWHFUICZVRCH-UHFFFAOYSA-N -1 3 324.739 4.480 20 0 DIADHM CCSc1cccc(CN[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000671162620 1054080890 /nfs/dbraw/zinc/08/08/90/1054080890.db2.gz OFBHDFVBSWEQQD-CQSZACIVSA-N -1 3 321.467 4.166 20 0 DIADHM CCc1cccc(Cl)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000671162167 1054081008 /nfs/dbraw/zinc/08/10/08/1054081008.db2.gz NAEQBFYUYPNAHX-CQSZACIVSA-N -1 3 323.845 4.270 20 0 DIADHM CCc1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1[O-] ZINC000622278761 1054144686 /nfs/dbraw/zinc/14/46/86/1054144686.db2.gz LFJBWBLDOAEMOR-UHFFFAOYSA-N -1 3 321.779 4.019 20 0 DIADHM CC(C)(C)N(Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232933448 1054149702 /nfs/dbraw/zinc/14/97/02/1054149702.db2.gz KGOQLFVJUYQOAU-UHFFFAOYSA-N -1 3 305.368 4.471 20 0 DIADHM CCc1cccc(C(=O)N(CC)Cc2ccc(Cl)s2)c1[O-] ZINC000622291008 1054149705 /nfs/dbraw/zinc/14/97/05/1054149705.db2.gz YCKUAONGYLSYNL-UHFFFAOYSA-N -1 3 323.845 4.332 20 0 DIADHM [O-]c1c(F)ccc(CN2CCC[C@H](c3ccccc3)CC2)c1F ZINC001232936640 1054152743 /nfs/dbraw/zinc/15/27/43/1054152743.db2.gz FLOZKSOWNPULDP-HNNXBMFYSA-N -1 3 317.379 4.440 20 0 DIADHM O=C(NCCCC1CCCC1)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622295271 1054154241 /nfs/dbraw/zinc/15/42/41/1054154241.db2.gz WOVPMGKAUOTRHF-UHFFFAOYSA-N -1 3 315.335 4.111 20 0 DIADHM CCN(CC(C)C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000622300545 1054159194 /nfs/dbraw/zinc/15/91/94/1054159194.db2.gz QUPSEZHVFJTABT-UHFFFAOYSA-N -1 3 311.425 4.101 20 0 DIADHM CCC1CCC(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000622322400 1054161047 /nfs/dbraw/zinc/16/10/47/1054161047.db2.gz ODOZYEKCXSYPIQ-UHFFFAOYSA-N -1 3 321.436 4.187 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC000622317259 1054169038 /nfs/dbraw/zinc/16/90/38/1054169038.db2.gz SFQWWUKUTFNXKM-MRXNPFEDSA-N -1 3 307.821 4.231 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC000622317258 1054169087 /nfs/dbraw/zinc/16/90/87/1054169087.db2.gz SFQWWUKUTFNXKM-INIZCTEOSA-N -1 3 307.821 4.231 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000622316748 1054169790 /nfs/dbraw/zinc/16/97/90/1054169790.db2.gz ANCFHXWDRFRKEX-QGZVFWFLSA-N -1 3 301.430 4.140 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2cccc(F)c2)C(C)C)c1 ZINC000622327398 1054174080 /nfs/dbraw/zinc/17/40/80/1054174080.db2.gz CDWSSHLCIQJCGN-UHFFFAOYSA-N -1 3 315.388 4.145 20 0 DIADHM Cc1ccccc1[C@@H]1CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233035253 1054175516 /nfs/dbraw/zinc/17/55/16/1054175516.db2.gz DBOQYFPKEONVLN-HNNXBMFYSA-N -1 3 302.805 4.086 20 0 DIADHM [O-]c1cccc(CN2CCC[C@H]2c2c(F)cccc2F)c1F ZINC001233054744 1054177563 /nfs/dbraw/zinc/17/75/63/1054177563.db2.gz WWKUYVKOFKQXJZ-AWEZNQCLSA-N -1 3 307.315 4.147 20 0 DIADHM [O-]c1cccc(CN2CCC[C@@H]2c2c(F)cccc2F)c1F ZINC001233054745 1054177626 /nfs/dbraw/zinc/17/76/26/1054177626.db2.gz WWKUYVKOFKQXJZ-CQSZACIVSA-N -1 3 307.315 4.147 20 0 DIADHM CCN(Cc1cccc([O-])c1F)Cc1c(F)cccc1Cl ZINC001233054373 1054177741 /nfs/dbraw/zinc/17/77/41/1054177741.db2.gz KHQONQQOSBSOJJ-UHFFFAOYSA-N -1 3 311.759 4.346 20 0 DIADHM C[C@H](NCc1ccc([O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC001334952894 1054205475 /nfs/dbraw/zinc/20/54/75/1054205475.db2.gz QGEQMIBEXBALLN-JTQLQIEISA-N -1 3 308.422 4.136 20 0 DIADHM Cc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c([O-])c1 ZINC000622419804 1054211369 /nfs/dbraw/zinc/21/13/69/1054211369.db2.gz XFVHBQHNRPWSQX-OAQYLSRUSA-N -1 3 323.436 4.186 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N(CC1CCC1)c1ccccc1 ZINC000622420999 1054211516 /nfs/dbraw/zinc/21/15/16/1054211516.db2.gz KJSSKZIJCICAOV-UHFFFAOYSA-N -1 3 315.800 4.493 20 0 DIADHM CCC1(CC)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000622424951 1054214971 /nfs/dbraw/zinc/21/49/71/1054214971.db2.gz OVEOYVDMIYALRS-UHFFFAOYSA-N -1 3 315.335 4.063 20 0 DIADHM CC(C)[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000622424687 1054215630 /nfs/dbraw/zinc/21/56/30/1054215630.db2.gz GDGGASOKRTWMTE-SFHVURJKSA-N -1 3 323.436 4.101 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)c([O-])c1 ZINC000622440619 1054216139 /nfs/dbraw/zinc/21/61/39/1054216139.db2.gz HWAKBPZXDOOXSK-SFHVURJKSA-N -1 3 309.409 4.295 20 0 DIADHM CC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000622428956 1054219121 /nfs/dbraw/zinc/21/91/21/1054219121.db2.gz RPELOKOZWXSIAF-UHFFFAOYSA-N -1 3 315.335 4.111 20 0 DIADHM CCC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCC1 ZINC000622437462 1054226489 /nfs/dbraw/zinc/22/64/89/1054226489.db2.gz MMJKPRNOAQTMRO-UHFFFAOYSA-N -1 3 315.335 4.111 20 0 DIADHM [O-]c1ccc(F)c(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1F ZINC001233396165 1054260737 /nfs/dbraw/zinc/26/07/37/1054260737.db2.gz NCFXYNHNLJAJOR-LBPRGKRZSA-N -1 3 323.770 4.313 20 0 DIADHM COc1cccc([C@H](C)SCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001473003807 1054263257 /nfs/dbraw/zinc/26/32/57/1054263257.db2.gz KSTKYKDHEFUYBN-NSHDSACASA-N -1 3 316.426 4.063 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C(C)C)c3ccccc32)c1 ZINC000622562734 1054282068 /nfs/dbraw/zinc/28/20/68/1054282068.db2.gz ODLOWKZXEMFTLS-QGZVFWFLSA-N -1 3 309.409 4.355 20 0 DIADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCc2c1nccc2Cl ZINC001233592221 1054302562 /nfs/dbraw/zinc/30/25/62/1054302562.db2.gz KQPZJHPCZOOZJP-CYBMUJFWSA-N -1 3 310.180 4.469 20 0 DIADHM COc1cccc2c1[C@@H](Oc1cc(Cl)c([O-])cc1C)CCO2 ZINC001233592771 1054305088 /nfs/dbraw/zinc/30/50/88/1054305088.db2.gz OTGSJKNUMBGEQR-HNNXBMFYSA-N -1 3 320.772 4.265 20 0 DIADHM Cc1cc([O-])c(Cl)cc1OC[C@@H](C)OCc1ccccc1 ZINC001233593762 1054306062 /nfs/dbraw/zinc/30/60/62/1054306062.db2.gz ZPYRISCLOAHUIV-CYBMUJFWSA-N -1 3 306.789 4.338 20 0 DIADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cccc(C(F)(F)F)c1 ZINC001233677217 1054329467 /nfs/dbraw/zinc/32/94/67/1054329467.db2.gz HHDWHBJHZGYJAQ-SNVBAGLBSA-N -1 3 322.282 4.421 20 0 DIADHM C[C@H](Oc1ccc2occ([O-])c2c1)c1ccccc1C(F)(F)F ZINC001233677918 1054329926 /nfs/dbraw/zinc/32/99/26/1054329926.db2.gz QCHKTRQMCQGBGV-JTQLQIEISA-N -1 3 322.282 4.421 20 0 DIADHM Cc1ccc([C@@H](Oc2ccc3occ([O-])c3c2)C(F)(F)F)cc1 ZINC001233677702 1054330667 /nfs/dbraw/zinc/33/06/67/1054330667.db2.gz NCMWOHJGCMJWEZ-MRXNPFEDSA-N -1 3 322.282 4.253 20 0 DIADHM C[C@@H](Oc1ccc2occ([O-])c2c1)c1cc(-c2ccccc2)no1 ZINC001233681072 1054331985 /nfs/dbraw/zinc/33/19/85/1054331985.db2.gz QROOEXAQKQMDOF-GFCCVEGCSA-N -1 3 321.332 4.057 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c([O-])c1 ZINC000622673853 1054335575 /nfs/dbraw/zinc/33/55/75/1054335575.db2.gz XRQAIBWPYQNCGK-AWEZNQCLSA-N -1 3 303.446 4.414 20 0 DIADHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC12CCCC2 ZINC000622741044 1054357775 /nfs/dbraw/zinc/35/77/75/1054357775.db2.gz SBPPFQNJSWLLNQ-UHFFFAOYSA-N -1 3 321.420 4.142 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001440701764 1054365588 /nfs/dbraw/zinc/36/55/88/1054365588.db2.gz AKHFHCMWFRVEIA-ARFHVFGLSA-N -1 3 301.430 4.043 20 0 DIADHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](C2CCCCC2)C1 ZINC000622750379 1054367259 /nfs/dbraw/zinc/36/72/59/1054367259.db2.gz GNQBOPNJAZNBMC-ZDUSSCGKSA-N -1 3 307.821 4.088 20 0 DIADHM CN(C(=O)Cc1ccc([O-])c(F)c1)C1CC(C)(C)CC(C)(C)C1 ZINC000622750165 1054368068 /nfs/dbraw/zinc/36/80/68/1054368068.db2.gz AOKAASKGSKKOPH-UHFFFAOYSA-N -1 3 321.436 4.137 20 0 DIADHM Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1[O-] ZINC001441740767 1054399762 /nfs/dbraw/zinc/39/97/62/1054399762.db2.gz WHVPNNXJSIKWPK-UHFFFAOYSA-N -1 3 310.378 4.076 20 0 DIADHM CCc1cccc(C(=O)N(CC2CCCCC2)C2CC2)c1[O-] ZINC001441887497 1054400644 /nfs/dbraw/zinc/40/06/44/1054400644.db2.gz QZUWOBBFOUQHBI-UHFFFAOYSA-N -1 3 301.430 4.140 20 0 DIADHM CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCCC1 ZINC001442045265 1054408154 /nfs/dbraw/zinc/40/81/54/1054408154.db2.gz IDNVODYRXKGZNP-UHFFFAOYSA-N -1 3 323.436 4.436 20 0 DIADHM Cc1c([N-]c2nc3c(cccc3F)o2)cnn1C1CCCC1 ZINC000486033911 1054409272 /nfs/dbraw/zinc/40/92/72/1054409272.db2.gz ZEGIGDOSRVQXFN-UHFFFAOYSA-N -1 3 300.337 4.331 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC001442262946 1054416956 /nfs/dbraw/zinc/41/69/56/1054416956.db2.gz NQZCSCAKRDPNGU-UHFFFAOYSA-N -1 3 303.361 4.205 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC001442392257 1054418024 /nfs/dbraw/zinc/41/80/24/1054418024.db2.gz DGTUVNYXBGNEQT-UHFFFAOYSA-N -1 3 324.405 4.440 20 0 DIADHM O=C(Nc1cccc(F)c1F)c1cc2sccc2c([O-])c1 ZINC001442379019 1054418181 /nfs/dbraw/zinc/41/81/81/1054418181.db2.gz MEWANFMOQHSUQA-UHFFFAOYSA-N -1 3 305.305 4.137 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC001442364810 1054418982 /nfs/dbraw/zinc/41/89/82/1054418982.db2.gz JLCSSLSXUFJNBI-LJQANCHMSA-N -1 3 321.420 4.247 20 0 DIADHM C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1cc2ccsc2[n-]1 ZINC001342658413 1054428571 /nfs/dbraw/zinc/42/85/71/1054428571.db2.gz NKHUWKFGDBTXBK-ZUZCIYMTSA-N -1 3 313.378 4.156 20 0 DIADHM Cc1cccc(-c2cccc(CNC(=O)c3ccccc3[O-])c2)c1 ZINC001442963219 1054436962 /nfs/dbraw/zinc/43/69/62/1054436962.db2.gz NMLWFTUEGRASGX-UHFFFAOYSA-N -1 3 317.388 4.298 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC001443375940 1054447203 /nfs/dbraw/zinc/44/72/03/1054447203.db2.gz YARNTENTKRTXGI-OAHLLOKOSA-N -1 3 323.436 4.396 20 0 DIADHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc2sccc2c([O-])c1 ZINC001443700128 1054455384 /nfs/dbraw/zinc/45/53/84/1054455384.db2.gz BWCLHTHDSWRLCM-MRXNPFEDSA-N -1 3 323.417 4.333 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001444027578 1054466397 /nfs/dbraw/zinc/46/63/97/1054466397.db2.gz FCOHVFQYOOEPIQ-CWRNSKLLSA-N -1 3 301.430 4.214 20 0 DIADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001444357705 1054475841 /nfs/dbraw/zinc/47/58/41/1054475841.db2.gz WZBZQAFNVKRNBY-HUUCEWRRSA-N -1 3 311.425 4.147 20 0 DIADHM COc1cccc2c1[C@@H](Oc1c(Cl)ccc([O-])c1F)CCO2 ZINC001234264105 1054479978 /nfs/dbraw/zinc/47/99/78/1054479978.db2.gz MRFWAABHXVHBKX-ZDUSSCGKSA-N -1 3 324.735 4.096 20 0 DIADHM Cc1ccccc1OC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234263303 1054480229 /nfs/dbraw/zinc/48/02/29/1054480229.db2.gz WUOWYPWFFRGOPN-NSHDSACASA-N -1 3 310.752 4.339 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC001445167334 1054498761 /nfs/dbraw/zinc/49/87/61/1054498761.db2.gz UDWAFIHOAXCILS-GJZGRUSLSA-N -1 3 311.425 4.438 20 0 DIADHM CC(C)C1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001445260210 1054501977 /nfs/dbraw/zinc/50/19/77/1054501977.db2.gz LMILHBOEMHMZSV-UHFFFAOYSA-N -1 3 323.436 4.149 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001445322340 1054504043 /nfs/dbraw/zinc/50/40/43/1054504043.db2.gz GUEOSGGTMWVXTD-NRFANRHFSA-N -1 3 323.436 4.186 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)c1[O-] ZINC001445432684 1054507953 /nfs/dbraw/zinc/50/79/53/1054507953.db2.gz ZHWKHYXQYQCILC-UHFFFAOYSA-N -1 3 313.397 4.268 20 0 DIADHM O=c1c2ccccc2oc(-c2ccccc2[O-])c1OC1CCCC1 ZINC001234380186 1054513350 /nfs/dbraw/zinc/51/33/50/1054513350.db2.gz SXRNQOQNGUHXMG-UHFFFAOYSA-N -1 3 322.360 4.487 20 0 DIADHM C[C@@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1[O-])C1CC1 ZINC001234378614 1054513621 /nfs/dbraw/zinc/51/36/21/1054513621.db2.gz NDRYVMBFYAVHDW-GFCCVEGCSA-N -1 3 322.360 4.343 20 0 DIADHM O=C(N[C@@H]1C=CCCC1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001445708306 1054515029 /nfs/dbraw/zinc/51/50/29/1054515029.db2.gz GCFGRQHLBSOVBA-GOSISDBHSA-N -1 3 321.420 4.016 20 0 DIADHM COc1ccc([C@H](Oc2nc3c(cccc3[O-])[nH]2)C(C)C)cc1 ZINC001234446802 1054523948 /nfs/dbraw/zinc/52/39/48/1054523948.db2.gz IWIOMTZCJVMTOY-QGZVFWFLSA-N -1 3 312.369 4.053 20 0 DIADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001234448352 1054526775 /nfs/dbraw/zinc/52/67/75/1054526775.db2.gz RDKOXVOAWAZMAE-CQSZACIVSA-N -1 3 321.779 4.233 20 0 DIADHM CC(C)(C)c1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC001446243627 1054531218 /nfs/dbraw/zinc/53/12/18/1054531218.db2.gz ZYEWRDAOCIATIV-XFXZXTDPSA-N -1 3 313.372 4.481 20 0 DIADHM Cc1cc(C)c(CC(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC001446524510 1054538170 /nfs/dbraw/zinc/53/81/70/1054538170.db2.gz JGYHQWPNHMJCTJ-UHFFFAOYSA-N -1 3 303.789 4.152 20 0 DIADHM Cc1cc2ccccc2nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001446515931 1054538520 /nfs/dbraw/zinc/53/85/20/1054538520.db2.gz JVEAMOMQRNPGMM-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM O=C(Nc1ccc(C2CC2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC001446997662 1054552974 /nfs/dbraw/zinc/55/29/74/1054552974.db2.gz VXSJZVATSKBYFT-UHFFFAOYSA-N -1 3 307.393 4.401 20 0 DIADHM Cc1cccc(Cl)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC001447274709 1054558098 /nfs/dbraw/zinc/55/80/98/1054558098.db2.gz NHDPFHCPRUHQTA-UHFFFAOYSA-N -1 3 310.180 4.189 20 0 DIADHM COc1ccc2cc(C(=O)Nc3cc(F)ccc3[O-])sc2c1 ZINC001447284504 1054558240 /nfs/dbraw/zinc/55/82/40/1054558240.db2.gz APEHOABCGMWVDF-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM Cc1ccc(C(C)(C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001546000144 1054575275 /nfs/dbraw/zinc/57/52/75/1054575275.db2.gz CQXQLWYECBRZGQ-UHFFFAOYSA-N -1 3 303.789 4.270 20 0 DIADHM O=C(CCCc1ccc(F)cc1)Nc1cc(Cl)ccc1[O-] ZINC001546000634 1054576275 /nfs/dbraw/zinc/57/62/75/1054576275.db2.gz WFXIPEDDLNWJIV-UHFFFAOYSA-N -1 3 307.752 4.146 20 0 DIADHM C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)c1ccccc1F ZINC001234689875 1054577600 /nfs/dbraw/zinc/57/76/00/1054577600.db2.gz WDKNTWLIULRYQS-LBPRGKRZSA-N -1 3 310.328 4.128 20 0 DIADHM Cc1ccc([C@H](C)Oc2nc[n-]c(=O)c2-c2ccccc2)cc1 ZINC001234692053 1054577816 /nfs/dbraw/zinc/57/78/16/1054577816.db2.gz LXLYULFKKIGYMC-AWEZNQCLSA-N -1 3 306.365 4.298 20 0 DIADHM CC(C)c1ccc(C(=O)NC2CC(c3ccccc3)C2)c([O-])c1 ZINC001448420245 1054596639 /nfs/dbraw/zinc/59/66/39/1054596639.db2.gz ZGYHLVCZADUAIN-UHFFFAOYSA-N -1 3 309.409 4.192 20 0 DIADHM c1cc2nc(O[C@H](c3ccccc3)c3ccccn3)[n-]c2s1 ZINC001234847280 1054598915 /nfs/dbraw/zinc/59/89/15/1054598915.db2.gz HMXODDMFGFNJFC-OAHLLOKOSA-N -1 3 307.378 4.188 20 0 DIADHM CCc1ccc([C@H]2CCN(C(=O)c3cccc(CC)c3[O-])C2)cc1 ZINC001450401680 1054647165 /nfs/dbraw/zinc/64/71/65/1054647165.db2.gz TURRCGCVVJOZDB-SFHVURJKSA-N -1 3 323.436 4.147 20 0 DIADHM CC(C)c1nc(CNC[C@@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC001348501915 1054651716 /nfs/dbraw/zinc/65/17/16/1054651716.db2.gz GYKAPVLDWNQDFR-CQSZACIVSA-N -1 3 324.490 4.027 20 0 DIADHM CC(C)c1nc(CNC[C@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC001348501914 1054651852 /nfs/dbraw/zinc/65/18/52/1054651852.db2.gz GYKAPVLDWNQDFR-AWEZNQCLSA-N -1 3 324.490 4.027 20 0 DIADHM CC(C)c1scnc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC001450549317 1054652066 /nfs/dbraw/zinc/65/20/66/1054652066.db2.gz HQNCOGNSNBQDNG-UHFFFAOYSA-N -1 3 312.394 4.378 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c3ccccc23)c1[O-] ZINC001450601860 1054655273 /nfs/dbraw/zinc/65/52/73/1054655273.db2.gz SZLVBZYDYVHQPS-UHFFFAOYSA-N -1 3 319.360 4.309 20 0 DIADHM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1[O-] ZINC001452800700 1054717373 /nfs/dbraw/zinc/71/73/73/1054717373.db2.gz GLAXWDWNIHSKEY-UHFFFAOYSA-N -1 3 323.392 4.116 20 0 DIADHM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(OC)cc1[O-] ZINC001453692272 1054746318 /nfs/dbraw/zinc/74/63/18/1054746318.db2.gz DFQQKJNPXLJILJ-OAHLLOKOSA-N -1 3 321.461 4.469 20 0 DIADHM Cc1nc(-c2ccccn2)nc(-c2cc([O-])cc(Cl)c2)c1C ZINC001235899338 1054837190 /nfs/dbraw/zinc/83/71/90/1054837190.db2.gz HBSWEBYYWBUKBY-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899632 1054838161 /nfs/dbraw/zinc/83/81/61/1054838161.db2.gz JFMVOYUXZFBQMR-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1cc(Cl)cc(-c2nccc(Oc3ccc(F)cc3)n2)c1 ZINC001235901332 1054839353 /nfs/dbraw/zinc/83/93/53/1054839353.db2.gz UYPCDGQQGDICIW-UHFFFAOYSA-N -1 3 316.719 4.434 20 0 DIADHM [O-]c1cc(Cl)cc(-c2cc(OCc3ccccc3)ncn2)c1 ZINC001235900466 1054839674 /nfs/dbraw/zinc/83/96/74/1054839674.db2.gz ODIOXAKSNMTVAM-UHFFFAOYSA-N -1 3 312.756 4.082 20 0 DIADHM [O-]c1cc(Cl)cc(-c2ccc(-c3ccc(F)cc3F)nn2)c1 ZINC001235901540 1054841175 /nfs/dbraw/zinc/84/11/75/1054841175.db2.gz WACBUDWXUHRDRK-UHFFFAOYSA-N -1 3 318.710 4.448 20 0 DIADHM COc1cc2cnc(-c3cc([O-])cc(Cl)c3)cc2cc1F ZINC001235904794 1054842705 /nfs/dbraw/zinc/84/27/05/1054842705.db2.gz RZMIZSRMZJFHIN-UHFFFAOYSA-N -1 3 303.720 4.409 20 0 DIADHM Cc1c(F)c(F)ccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001299266799 1054908529 /nfs/dbraw/zinc/90/85/29/1054908529.db2.gz PIMTXPGITHKQRA-UHFFFAOYSA-N -1 3 319.332 4.446 20 0 DIADHM CC(C)(C)C1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381492111 1055171323 /nfs/dbraw/zinc/17/13/23/1055171323.db2.gz HSAKFEFMPOBANF-UHFFFAOYSA-N -1 3 309.837 4.296 20 0 DIADHM CC(C)c1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)C(F)F)CCC2 ZINC001127761599 1055177096 /nfs/dbraw/zinc/17/70/96/1055177096.db2.gz ALVYGOCUXIUDEA-CYBMUJFWSA-N -1 3 317.326 4.204 20 0 DIADHM COc1ccc(-c2ccccc2)cc1C=Cc1nccc(=O)[n-]1 ZINC000764434358 1055185690 /nfs/dbraw/zinc/18/56/90/1055185690.db2.gz JLGAZORJUVBZOQ-NTMALXAHSA-N -1 3 304.349 4.028 20 0 DIADHM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1ccc(F)c([O-])c1 ZINC001236708754 1055237295 /nfs/dbraw/zinc/23/72/95/1055237295.db2.gz SWFKTZKNSCDBOE-KRWDZBQOSA-N -1 3 315.388 4.015 20 0 DIADHM [O-]c1cc(CN2CCC[C@H]2c2ccc(F)cc2F)ccc1F ZINC001236707747 1055238107 /nfs/dbraw/zinc/23/81/07/1055238107.db2.gz KJESBPJFBRQNNK-INIZCTEOSA-N -1 3 307.315 4.147 20 0 DIADHM CSc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC001587463778 1055302744 /nfs/dbraw/zinc/30/27/44/1055302744.db2.gz XNBLEPATZLUGAZ-UHFFFAOYSA-N -1 3 313.422 4.245 20 0 DIADHM CCc1cccc(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)c1[O-] ZINC001587776522 1055364667 /nfs/dbraw/zinc/36/46/67/1055364667.db2.gz LOZZLSYDPUEMAF-INIZCTEOSA-N -1 3 317.816 4.489 20 0 DIADHM [S-]c1ccoc1CN1Cc2nc(-c3ccccc3)sc2C1 ZINC001237186282 1055396501 /nfs/dbraw/zinc/39/65/01/1055396501.db2.gz KKKDCDLMJZOBIQ-UHFFFAOYSA-N -1 3 314.435 4.208 20 0 DIADHM FC1(F)CN(Cc2occc2[S-])CC[C@H]1c1ccccc1 ZINC001237186300 1055396788 /nfs/dbraw/zinc/39/67/88/1055396788.db2.gz LAVHEEICTDKUNT-ZDUSSCGKSA-N -1 3 309.381 4.193 20 0 DIADHM Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(C)C)c([O-])c1 ZINC001587959187 1055406038 /nfs/dbraw/zinc/40/60/38/1055406038.db2.gz BDQFMWHBMYUASN-IBGZPJMESA-N -1 3 309.409 4.096 20 0 DIADHM CN(Cc1cc([O-])cc(F)c1)Cc1cccc(Cl)c1Cl ZINC001237276526 1055415993 /nfs/dbraw/zinc/41/59/93/1055415993.db2.gz GSMQDGCICKAADO-UHFFFAOYSA-N -1 3 314.187 4.470 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N(Cc1cccs1)C1CC1 ZINC000471719000 1055462788 /nfs/dbraw/zinc/46/27/88/1055462788.db2.gz YFPMIOBDOFWKRW-UHFFFAOYSA-N -1 3 323.417 4.412 20 0 DIADHM [O-]c1c(CN2C3CCCC2CCC3)cc(Cl)nc1Cl ZINC001237522724 1055466492 /nfs/dbraw/zinc/46/64/92/1055466492.db2.gz LBSHQPUQORIZGG-UHFFFAOYSA-N -1 3 301.217 4.001 20 0 DIADHM CCc1ccc2ccccc2c1CNC(=O)c1c(C)cccc1[O-] ZINC001595129638 1055580903 /nfs/dbraw/zinc/58/09/03/1055580903.db2.gz OVBAZWLRCDYBQR-UHFFFAOYSA-N -1 3 319.404 4.346 20 0 DIADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c1 ZINC001595396397 1055594338 /nfs/dbraw/zinc/59/43/38/1055594338.db2.gz YSKAGLZNSDHXKG-LBPRGKRZSA-N -1 3 317.816 4.441 20 0 DIADHM COc1cc(F)c(C(=O)[N-]c2c(F)cccc2Cl)c(F)c1 ZINC001538366674 1055611573 /nfs/dbraw/zinc/61/15/73/1055611573.db2.gz VHPBGFNMSFJXSH-UHFFFAOYSA-N -1 3 315.678 4.018 20 0 DIADHM CN(Cc1ccc2ccccc2c1)Cc1ccc(F)cc1C(=O)[O-] ZINC001238241900 1055626687 /nfs/dbraw/zinc/62/66/87/1055626687.db2.gz MKYWXJPFRHKULQ-UHFFFAOYSA-N -1 3 323.367 4.309 20 0 DIADHM O=C(O[C@H](c1ccccc1)C(F)F)c1cccc(Cl)c1[O-] ZINC001595747734 1055627972 /nfs/dbraw/zinc/62/79/72/1055627972.db2.gz JPAFGCMRRDFUOS-CYBMUJFWSA-N -1 3 312.699 4.209 20 0 DIADHM CC[C@@H]1CCCCN1Cc1c(Br)ccc([O-])c1F ZINC001238307711 1055639336 /nfs/dbraw/zinc/63/93/36/1055639336.db2.gz GFNJCHFMINOGCV-SNVBAGLBSA-N -1 3 316.214 4.058 20 0 DIADHM CCC(CC)N(CC)Cc1c(Br)ccc([O-])c1F ZINC001238309288 1055638476 /nfs/dbraw/zinc/63/84/76/1055638476.db2.gz NJUPEVWOEOQPTA-UHFFFAOYSA-N -1 3 318.230 4.304 20 0 DIADHM CC[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000033661829 1055660479 /nfs/dbraw/zinc/66/04/79/1055660479.db2.gz VGIWTYWHXSEQSQ-HZMBPMFUSA-N -1 3 316.228 4.241 20 0 DIADHM Cc1cc(C)c2cc(NC(=O)c3ccc(C)c(C)c3[O-])ccc2n1 ZINC001596112767 1055670898 /nfs/dbraw/zinc/67/08/98/1055670898.db2.gz IAMBPUHYVSVWCF-UHFFFAOYSA-N -1 3 320.392 4.426 20 0 DIADHM C[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]1c1ccccc1 ZINC000472198592 1055699628 /nfs/dbraw/zinc/69/96/28/1055699628.db2.gz RDTHZRYPUGNEKN-JLTOFOAXSA-N -1 3 317.388 4.379 20 0 DIADHM Cc1cnccc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000338629358 1055708559 /nfs/dbraw/zinc/70/85/59/1055708559.db2.gz YLQBHLKQQVVPHV-UHFFFAOYSA-N -1 3 323.377 4.077 20 0 DIADHM CCOc1ccccc1N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000472422823 1055718042 /nfs/dbraw/zinc/71/80/42/1055718042.db2.gz OYJFITWLCZAYOP-UHFFFAOYSA-N -1 3 321.376 4.221 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(OC(C)C)c(C)c2)c1[O-] ZINC001565802034 1055729994 /nfs/dbraw/zinc/72/99/94/1055729994.db2.gz IGACXMIADQTEOD-UHFFFAOYSA-N -1 3 313.397 4.303 20 0 DIADHM CCc1ccc(C(=O)NCc2ccc3ccccc3c2)c([O-])c1 ZINC001566156954 1055745596 /nfs/dbraw/zinc/74/55/96/1055745596.db2.gz OVHVUCCZFWXAQW-UHFFFAOYSA-N -1 3 305.377 4.038 20 0 DIADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001566638554 1055778109 /nfs/dbraw/zinc/77/81/09/1055778109.db2.gz IDKDMQSAUUVQAW-UONOGXRCSA-N -1 3 301.773 4.096 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])C1(CCc2ccccc2)CC1 ZINC001567234104 1055795969 /nfs/dbraw/zinc/79/59/69/1055795969.db2.gz DBIHQLOLDGVKPA-UHFFFAOYSA-N -1 3 315.800 4.397 20 0 DIADHM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC001567889408 1055824875 /nfs/dbraw/zinc/82/48/75/1055824875.db2.gz BFIPDJYHEJKCRR-LJQANCHMSA-N -1 3 303.446 4.272 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OCC2CC2)cc1 ZINC000059994829 1055827763 /nfs/dbraw/zinc/82/77/63/1055827763.db2.gz AIGICRXGEFRIGA-UHFFFAOYSA-N -1 3 317.772 4.087 20 0 DIADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c([O-])c1 ZINC001568211680 1055831474 /nfs/dbraw/zinc/83/14/74/1055831474.db2.gz LJSAAXTUSNQIIG-RBUKOAKNSA-N -1 3 317.388 4.140 20 0 DIADHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@@H](C)Cc1ccsc1 ZINC000347568966 1055839850 /nfs/dbraw/zinc/83/98/50/1055839850.db2.gz RXUBQJOHUBASJX-NSHDSACASA-N -1 3 323.845 4.200 20 0 DIADHM Cc1cccc(CN(C)C(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC001569580562 1055865004 /nfs/dbraw/zinc/86/50/04/1055865004.db2.gz MWFIILMPOHDDIH-UHFFFAOYSA-N -1 3 311.425 4.405 20 0 DIADHM C/C=C(/C=C\C(=O)Nc1c(C)c(Br)ccc1[O-])CC ZINC001569634109 1055866922 /nfs/dbraw/zinc/86/69/22/1055866922.db2.gz LKLVQNTVZYWJQD-XJYLAGHESA-N -1 3 324.218 4.314 20 0 DIADHM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC001569655722 1055868447 /nfs/dbraw/zinc/86/84/47/1055868447.db2.gz RJBFLLUHESNQFN-ZDUSSCGKSA-N -1 3 313.397 4.439 20 0 DIADHM Cc1cccc([O-])c1C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC001569641630 1055868525 /nfs/dbraw/zinc/86/85/25/1055868525.db2.gz WEHRTBFTNRAHJL-SJORKVTESA-N -1 3 309.409 4.014 20 0 DIADHM O=C(Nc1c([O-])cccc1Cl)c1cc(F)ccc1Cl ZINC001569682358 1055869566 /nfs/dbraw/zinc/86/95/66/1055869566.db2.gz LKVSXPKQPBRQNB-UHFFFAOYSA-N -1 3 300.116 4.090 20 0 DIADHM CC(=O)c1cccc(NC(=O)/C(C)=C/C2CCC(C)CC2)c1[O-] ZINC001569928450 1055877950 /nfs/dbraw/zinc/87/79/50/1055877950.db2.gz UUTPJCNLDATKAJ-ACCUITESSA-N -1 3 315.413 4.306 20 0 DIADHM CCC(C)(C)C1CCC(CC(=O)[N-]OC/C=C/Cl)CC1 ZINC001570047631 1055883383 /nfs/dbraw/zinc/88/33/83/1055883383.db2.gz LMMSORGFKNPZIJ-BJMVGYQFSA-N -1 3 301.858 4.419 20 0 DIADHM Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CCCC3(C)C)c1 ZINC001570038366 1055883621 /nfs/dbraw/zinc/88/36/21/1055883621.db2.gz WAAUPWUZSXPUJH-UHFFFAOYSA-N -1 3 316.426 4.023 20 0 DIADHM Cc1cc2occ(CC(=O)[N-]OC/C=C\Cl)c2cc1C(C)C ZINC001570047957 1055883925 /nfs/dbraw/zinc/88/39/25/1055883925.db2.gz TWUPKFJAGFPWBP-PLNGDYQASA-N -1 3 321.804 4.207 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2ccc(Cl)cc2C1 ZINC001570216212 1055892671 /nfs/dbraw/zinc/89/26/71/1055892671.db2.gz PSPRBXAEAJLXCM-UHFFFAOYSA-N -1 3 323.779 4.355 20 0 DIADHM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc2sccc2c([O-])c1 ZINC001570329250 1055897106 /nfs/dbraw/zinc/89/71/06/1055897106.db2.gz QGWMHTCYHSHFOB-TZMCWYRMSA-N -1 3 315.438 4.163 20 0 DIADHM CC(C)(C)C[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC001570392709 1055901486 /nfs/dbraw/zinc/90/14/86/1055901486.db2.gz PATNNRQIAMNUMC-AWEZNQCLSA-N -1 3 311.425 4.444 20 0 DIADHM CC(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000063803349 1055903841 /nfs/dbraw/zinc/90/38/41/1055903841.db2.gz BZVLQYZBYMZREN-UHFFFAOYSA-N -1 3 319.788 4.333 20 0 DIADHM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cc2sccc2c([O-])c1 ZINC001570480299 1055906470 /nfs/dbraw/zinc/90/64/70/1055906470.db2.gz GJTPZNIDQNYJGY-GXTWGEPZSA-N -1 3 315.438 4.306 20 0 DIADHM CC(C)c1ccc(C(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c([O-])c1 ZINC001570648691 1055911473 /nfs/dbraw/zinc/91/14/73/1055911473.db2.gz CNFLNLPAOCMHPA-SFHVURJKSA-N -1 3 313.441 4.332 20 0 DIADHM O=C(Nc1cccc2cnccc21)c1cc2sccc2c([O-])c1 ZINC001539936466 1055935371 /nfs/dbraw/zinc/93/53/71/1055935371.db2.gz IGBIUBQGESIUHH-UHFFFAOYSA-N -1 3 320.373 4.407 20 0 DIADHM O=C(CCCCc1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC001540109215 1055973449 /nfs/dbraw/zinc/97/34/49/1055973449.db2.gz 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/nfs/dbraw/zinc/06/00/24/1056060024.db2.gz IFHUOLPEBJXCFP-UHFFFAOYSA-N -1 3 311.381 4.274 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(O[C@H](C)CC)cc2)c1[O-] ZINC001583304665 1056060410 /nfs/dbraw/zinc/06/04/10/1056060410.db2.gz LWZPFGTXKXLBBD-CYBMUJFWSA-N -1 3 313.397 4.384 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)c1[O-] ZINC001583304666 1056060729 /nfs/dbraw/zinc/06/07/29/1056060729.db2.gz LWZPFGTXKXLBBD-ZDUSSCGKSA-N -1 3 313.397 4.384 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671784914 1056066669 /nfs/dbraw/zinc/06/66/69/1056066669.db2.gz IJBYHDNHVFOFTG-UHFFFAOYSA-N -1 3 321.707 4.378 20 0 DIADHM C/C(=C/C(=O)Nc1ccc(Cl)cc1[O-])c1cccc(F)c1 ZINC001610900632 1056075383 /nfs/dbraw/zinc/07/53/83/1056075383.db2.gz UPNQGZFYVWZHHN-YFHOEESVSA-N -1 3 305.736 4.227 20 0 DIADHM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001610900642 1056076295 /nfs/dbraw/zinc/07/62/95/1056076295.db2.gz UTOTUZURSNORLN-UHFFFAOYSA-N -1 3 319.666 4.218 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001610901013 1056076434 /nfs/dbraw/zinc/07/64/34/1056076434.db2.gz WNAPBKPTEZOJIQ-QWHCGFSZSA-N -1 3 322.191 4.441 20 0 DIADHM CCC(CC)c1nnc([N-]C(=O)c2coc(C(F)F)c2)s1 ZINC000624516003 1056095110 /nfs/dbraw/zinc/09/51/10/1056095110.db2.gz ULBUUIJTIHMBRA-UHFFFAOYSA-N -1 3 315.345 4.225 20 0 DIADHM CCCOc1ccc(Cl)cc1NC(=O)c1cccc(C)c1[O-] ZINC001542092312 1056102965 /nfs/dbraw/zinc/10/29/65/1056102965.db2.gz QMGLYLQNGBQDBQ-UHFFFAOYSA-N -1 3 319.788 4.395 20 0 DIADHM C[C@@H]1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC001542082060 1056103144 /nfs/dbraw/zinc/10/31/44/1056103144.db2.gz NRTIOPCPPXZTQE-CQSZACIVSA-N -1 3 321.420 4.425 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c([O-])c1 ZINC001542195267 1056110647 /nfs/dbraw/zinc/11/06/47/1056110647.db2.gz SGJWDLWRHLDMHV-QGZVFWFLSA-N -1 3 301.430 4.310 20 0 DIADHM Cc1ccc(F)c2oc(C(=O)[N-]c3nc(C(C)C)ns3)cc21 ZINC001611212212 1056126430 /nfs/dbraw/zinc/12/64/30/1056126430.db2.gz 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1056246684 /nfs/dbraw/zinc/24/66/84/1056246684.db2.gz OUNIRGVTXQCYAR-ZDUSSCGKSA-N -1 3 323.417 4.067 20 0 DIADHM CC(C)c1ccc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001543570574 1056255478 /nfs/dbraw/zinc/25/54/78/1056255478.db2.gz FZEFYLADEPYQLD-GJZGRUSLSA-N -1 3 303.446 4.462 20 0 DIADHM CCCN(CC1CCCCC1)C(=O)c1cc(CC)ccc1[O-] ZINC001543576759 1056257810 /nfs/dbraw/zinc/25/78/10/1056257810.db2.gz ZYRMHGGXLZEUSK-UHFFFAOYSA-N -1 3 303.446 4.387 20 0 DIADHM CCSc1cccc(F)c1[N-]C(=O)c1cncc(Cl)c1 ZINC001584093008 1056260508 /nfs/dbraw/zinc/26/05/08/1056260508.db2.gz CUFVQMXGHVZRNG-UHFFFAOYSA-N -1 3 310.781 4.238 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1 ZINC001543848971 1056311861 /nfs/dbraw/zinc/31/18/61/1056311861.db2.gz KEJSTKIMSWULIV-GOSISDBHSA-N -1 3 309.409 4.178 20 0 DIADHM CC(C)c1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c([O-])c1 ZINC001584869605 1056436453 /nfs/dbraw/zinc/43/64/53/1056436453.db2.gz RJSFDTIMLZTNAO-UHFFFAOYSA-N -1 3 321.380 4.158 20 0 DIADHM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)c1C ZINC000014255331 1056437691 /nfs/dbraw/zinc/43/76/91/1056437691.db2.gz ZRIXRUOLVYVVSJ-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001584956729 1056449763 /nfs/dbraw/zinc/44/97/63/1056449763.db2.gz AOZMTVXVFQCHAZ-UHFFFAOYSA-N -1 3 319.788 4.232 20 0 DIADHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c([O-])c1 ZINC001544562968 1056456754 /nfs/dbraw/zinc/45/67/54/1056456754.db2.gz VOHZHJUQYSRRGP-MRXNPFEDSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C(F)(F)F)cc1F ZINC001240400193 1056482739 /nfs/dbraw/zinc/48/27/39/1056482739.db2.gz SPFOUUZRRIHSLW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C(F)(F)F)cc1F ZINC001240400193 1056482740 /nfs/dbraw/zinc/48/27/40/1056482740.db2.gz SPFOUUZRRIHSLW-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC001544848727 1056514850 /nfs/dbraw/zinc/51/48/50/1056514850.db2.gz RCWZNGWPCJCNLR-UHFFFAOYSA-N -1 3 319.470 4.299 20 0 DIADHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c([O-])c1 ZINC001544879763 1056518784 /nfs/dbraw/zinc/51/87/84/1056518784.db2.gz IJHOUFWLARZLMB-LLVKDONJSA-N -1 3 323.314 4.210 20 0 DIADHM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006919560 1056558141 /nfs/dbraw/zinc/55/81/41/1056558141.db2.gz FRZYYPWQRGEHKV-UHFFFAOYSA-N -1 3 315.438 4.100 20 0 DIADHM CCc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111210349 1056567927 /nfs/dbraw/zinc/56/79/27/1056567927.db2.gz LLNUUBZOMDISTA-UHFFFAOYSA-N -1 3 303.789 4.179 20 0 DIADHM Cc1ccc2cc(C(=O)Nc3cc(Cl)ccc3[O-])[nH]c2c1 ZINC000111210286 1056569171 /nfs/dbraw/zinc/56/91/71/1056569171.db2.gz GRUAVMGCBIMQRM-UHFFFAOYSA-N -1 3 300.745 4.088 20 0 DIADHM C[C@H](CC(=O)Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000111211229 1056570051 /nfs/dbraw/zinc/57/00/51/1056570051.db2.gz WMFAYVPFJBRCMX-SNVBAGLBSA-N -1 3 307.752 4.317 20 0 DIADHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000007402736 1056578554 /nfs/dbraw/zinc/57/85/54/1056578554.db2.gz BJMSSUHAJZUIKL-UHFFFAOYSA-N -1 3 323.845 4.402 20 0 DIADHM CCSc1ccc(Cl)cc1[N-]C(=O)c1oc(C)nc1C ZINC000172776654 1056633954 /nfs/dbraw/zinc/63/39/54/1056633954.db2.gz JBWKOTRAUCFMNM-UHFFFAOYSA-N -1 3 310.806 4.309 20 0 DIADHM CCc1nc(C)c(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000355904499 1056645134 /nfs/dbraw/zinc/64/51/34/1056645134.db2.gz SQFUPIILDMIAGB-UHFFFAOYSA-N -1 3 312.394 4.125 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC001586040863 1056661186 /nfs/dbraw/zinc/66/11/86/1056661186.db2.gz SUPGPQLQDLWKAX-UHFFFAOYSA-N -1 3 324.424 4.189 20 0 DIADHM [O-]c1ccc(-c2ccc3nnc(-c4ccccc4F)n3c2)cc1F ZINC001240787553 1056696895 /nfs/dbraw/zinc/69/68/95/1056696895.db2.gz KVCAYHFOJFRXMQ-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM [O-]c1ccc(-c2ccnc(CSc3ccccc3)n2)cc1F ZINC001240786672 1056697412 /nfs/dbraw/zinc/69/74/12/1056697412.db2.gz ZDHINTQWDFKOSW-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM [O-]c1ccc(-c2cc(F)c(OCC(F)(F)F)c(F)c2)cc1F ZINC001240787151 1056697532 /nfs/dbraw/zinc/69/75/32/1056697532.db2.gz OKUZNMLYMVJRKS-UHFFFAOYSA-N -1 3 322.204 4.418 20 0 DIADHM COC(=O)C1(c2ccc(-c3ccc([O-])c(F)c3)cc2)CCCC1 ZINC001240786255 1056697566 /nfs/dbraw/zinc/69/75/66/1056697566.db2.gz CQFMAPBJWGTQMH-UHFFFAOYSA-N -1 3 314.356 4.183 20 0 DIADHM O=C1Cc2ccc(-c3ccc([O-])c(F)c3)cc2N1c1ccccc1 ZINC001240788108 1056699541 /nfs/dbraw/zinc/69/95/41/1056699541.db2.gz BVANEMPAZJTSTO-UHFFFAOYSA-N -1 3 319.335 4.419 20 0 DIADHM [O-]c1ccc(-c2cc(F)c(CN3CCCC3)c(F)c2)cc1F ZINC001240789762 1056700001 /nfs/dbraw/zinc/70/00/01/1056700001.db2.gz CXPUIIVMRWTSMB-UHFFFAOYSA-N -1 3 307.315 4.072 20 0 DIADHM CC(C)(C)OC(=O)Cc1cccc(-c2ccc([O-])c(F)c2)c1 ZINC001240787997 1056700303 /nfs/dbraw/zinc/70/03/03/1056700303.db2.gz AHKJFTBDNHNGBQ-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM CCN(CC)Cc1cc(-c2ccc(C(=O)[O-])s2)ccc1F ZINC001240847929 1056727527 /nfs/dbraw/zinc/72/75/27/1056727527.db2.gz AEXSAYXIJVIRFB-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CCN(CC)Cc1cccc(-c2ccc(C(=O)[O-])s2)c1F ZINC001240849489 1056728325 /nfs/dbraw/zinc/72/83/25/1056728325.db2.gz RHFLNBBLJCMGNT-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM CCN(CC)Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1F ZINC001240849564 1056728948 /nfs/dbraw/zinc/72/89/48/1056728948.db2.gz TWSFGTQWGKWFMW-UHFFFAOYSA-N -1 3 307.390 4.094 20 0 DIADHM c1ccc2c(c1)oc1c2cccc1-c1ccccc1-c1nnn[n-]1 ZINC001240889602 1056744527 /nfs/dbraw/zinc/74/45/27/1056744527.db2.gz GVCIBVIOLIMQKI-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM c1ccc2c(c1)oc1c2cccc1-c1ccccc1-c1nn[n-]n1 ZINC001240889602 1056744534 /nfs/dbraw/zinc/74/45/34/1056744534.db2.gz GVCIBVIOLIMQKI-UHFFFAOYSA-N -1 3 312.332 4.433 20 0 DIADHM CCCOc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1F ZINC001586495577 1056749167 /nfs/dbraw/zinc/74/91/67/1056749167.db2.gz TYEHFKRPCQUHLH-UHFFFAOYSA-N -1 3 317.360 4.135 20 0 DIADHM CCc1cccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1[O-] ZINC001586658681 1056775595 /nfs/dbraw/zinc/77/55/95/1056775595.db2.gz KKZFWLCSGQAROB-NVXWUHKLSA-N -1 3 323.436 4.281 20 0 DIADHM CCc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2ccccc2)n1 ZINC001212479936 1056786780 /nfs/dbraw/zinc/78/67/80/1056786780.db2.gz ZWCIMGHLHSUXDK-UHFFFAOYSA-N -1 3 315.323 4.162 20 0 DIADHM Cc1cc(Nc2cc(F)cc(F)c2[O-])n(-c2ccccc2F)n1 ZINC001212481915 1056795012 /nfs/dbraw/zinc/79/50/12/1056795012.db2.gz QUXXMNILNMWAGC-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM [O-]c1c(F)cc(F)cc1Nc1cc(-c2cccc(F)c2)no1 ZINC001212481804 1056795040 /nfs/dbraw/zinc/79/50/40/1056795040.db2.gz KBALRMWBUGJSNX-UHFFFAOYSA-N -1 3 306.243 4.208 20 0 DIADHM CCc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)c([O-])c1 ZINC001617225428 1056797654 /nfs/dbraw/zinc/79/76/54/1056797654.db2.gz AGUNLZIBKRWPPM-SFHVURJKSA-N -1 3 323.436 4.110 20 0 DIADHM Cc1cnn(-c2ccc(F)cc2)c1Nc1cc(F)cc(F)c1[O-] ZINC001212484285 1056806666 /nfs/dbraw/zinc/80/66/66/1056806666.db2.gz VQTPHPDTGZSVHU-UHFFFAOYSA-N -1 3 319.286 4.047 20 0 DIADHM Cc1cnn(-c2ccccc2C)c1Nc1cc(F)cc(F)c1[O-] ZINC001212484203 1056807108 /nfs/dbraw/zinc/80/71/08/1056807108.db2.gz QCEPKJXIPSAKBN-UHFFFAOYSA-N -1 3 315.323 4.217 20 0 DIADHM [O-]c1ccccc1-c1nc(-c2ccncc2)nc2sccc21 ZINC001241008443 1056814345 /nfs/dbraw/zinc/81/43/45/1056814345.db2.gz HDIXMCNUBCFISY-UHFFFAOYSA-N -1 3 305.362 4.126 20 0 DIADHM CSc1c(F)cccc1[N-]C(=O)c1c(F)cc(C)cc1F ZINC001617337845 1056816564 /nfs/dbraw/zinc/81/65/64/1056816564.db2.gz PIALRNNOVWZVRW-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM Cc1ccc(-c2nccnc2C2SCCCS2)c([O-])c1 ZINC001241030765 1056831085 /nfs/dbraw/zinc/83/10/85/1056831085.db2.gz RMUVGNYJGSGENT-UHFFFAOYSA-N -1 3 304.440 4.026 20 0 DIADHM Cc1ccc(-c2nc(-c3ccccc3)nc3[nH]ccc32)c([O-])c1 ZINC001241036291 1056833945 /nfs/dbraw/zinc/83/39/45/1056833945.db2.gz SFBAMPCJCNMCLP-UHFFFAOYSA-N -1 3 301.349 4.258 20 0 DIADHM Cc1ccc(-c2nc(C(F)F)nc3ccc(F)cc32)c([O-])c1 ZINC001241036350 1056833965 /nfs/dbraw/zinc/83/39/65/1056833965.db2.gz VLMTWSNMQPIFGB-UHFFFAOYSA-N -1 3 304.271 4.388 20 0 DIADHM Cc1ccc(-c2nc3ccccc3nc2C(F)(F)F)c([O-])c1 ZINC001241036504 1056836749 /nfs/dbraw/zinc/83/67/49/1056836749.db2.gz YIBDEILXQDRNEA-UHFFFAOYSA-N -1 3 304.271 4.330 20 0 DIADHM CC(C)[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001617681388 1056868014 /nfs/dbraw/zinc/86/80/14/1056868014.db2.gz TWOLJLBEAGCMCM-OAHLLOKOSA-N -1 3 311.425 4.444 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000067145654 1056922538 /nfs/dbraw/zinc/92/25/38/1056922538.db2.gz AEUOQTBTNNANHL-DTWKUNHWSA-N -1 3 321.726 4.353 20 0 DIADHM [O-]c1cc(F)cc(-c2cnc3cc(C(F)(F)F)ccc3n2)c1 ZINC001241255752 1056983484 /nfs/dbraw/zinc/98/34/84/1056983484.db2.gz BXAHYXZNXBJCTD-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM CC(C)(C)[C@@H]1CCc2nnc(-c3cc([O-])cc(F)c3)cc2C1 ZINC001241261334 1056984924 /nfs/dbraw/zinc/98/49/24/1056984924.db2.gz JZAFDEGZUPFFEA-CYBMUJFWSA-N -1 3 300.377 4.139 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3ccccc3)nc3[nH]ccc32)c1 ZINC001241262497 1056985930 /nfs/dbraw/zinc/98/59/30/1056985930.db2.gz MYNHOKBNDIUBCL-UHFFFAOYSA-N -1 3 305.312 4.088 20 0 DIADHM [O-]c1cc(F)cc(-c2nc(-c3ccncc3)nc3sccc32)c1 ZINC001241262212 1056986049 /nfs/dbraw/zinc/98/60/49/1056986049.db2.gz XOEKWFYTXSNYJJ-UHFFFAOYSA-N -1 3 323.352 4.265 20 0 DIADHM CC(C)COC(=O)Nc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241267542 1056988634 /nfs/dbraw/zinc/98/86/34/1056988634.db2.gz YITMDRUMJIICFM-UHFFFAOYSA-N -1 3 303.333 4.403 20 0 DIADHM CC(C)(C)OC(=O)c1ccc(-c2cc([O-])cc(F)c2)cc1F ZINC001241271636 1056990202 /nfs/dbraw/zinc/99/02/02/1056990202.db2.gz RDYUVIGTQZTUOX-UHFFFAOYSA-N -1 3 306.308 4.293 20 0 DIADHM O=C(Nc1ccc(-c2cc([O-])cc(F)c2)cc1)c1ccccc1 ZINC001241278184 1056993769 /nfs/dbraw/zinc/99/37/69/1056993769.db2.gz WCZUNOOHFYCMLE-UHFFFAOYSA-N -1 3 307.324 4.451 20 0 DIADHM O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccccc1[O-] ZINC001143141006 1056994595 /nfs/dbraw/zinc/99/45/95/1056994595.db2.gz ZMDBRRHWNXPRDS-UHFFFAOYSA-N -1 3 319.360 4.115 20 0 DIADHM [O-]c1cc(F)cc(-c2ccc3nnc(-c4ccc(F)cc4)n3c2)c1 ZINC001241280458 1056994713 /nfs/dbraw/zinc/99/47/13/1056994713.db2.gz MGIDLBBJGUNHFO-UHFFFAOYSA-N -1 3 323.302 4.047 20 0 DIADHM CC(C)(C)OC(=O)Cc1cccc(-c2cc([O-])cc(F)c2)c1 ZINC001241282937 1056995256 /nfs/dbraw/zinc/99/52/56/1056995256.db2.gz PWIUOKGFPYNIMJ-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM COC(=O)c1cc2cc(-c3c(F)ccc([O-])c3F)ccc2s1 ZINC001241292945 1056999519 /nfs/dbraw/zinc/99/95/19/1056999519.db2.gz ONDOILZSAXYGKE-UHFFFAOYSA-N -1 3 320.316 4.339 20 0 DIADHM CCOC(OCC)c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241292977 1057000072 /nfs/dbraw/zinc/00/00/72/1057000072.db2.gz LSGRURYTXQIPKH-UHFFFAOYSA-N -1 3 308.324 4.409 20 0 DIADHM CC[C@@H](C(=O)OC)c1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293927 1057001143 /nfs/dbraw/zinc/00/11/43/1057001143.db2.gz RHCDODYBOWNAFU-GFCCVEGCSA-N -1 3 306.308 4.004 20 0 DIADHM COc1ccc(OC(F)(F)F)c(-c2c(F)ccc([O-])c2F)c1 ZINC001241294127 1057001255 /nfs/dbraw/zinc/00/12/55/1057001255.db2.gz LEDJVMISJJGITK-UHFFFAOYSA-N -1 3 320.213 4.245 20 0 DIADHM COc1cc2c(cc1C)nccc2-c1c(F)ccc([O-])c1F ZINC001241295251 1057001807 /nfs/dbraw/zinc/00/18/07/1057001807.db2.gz KZCAFCVCIUVHLK-UHFFFAOYSA-N -1 3 301.292 4.203 20 0 DIADHM CCOc1ccc(F)c(F)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001241312267 1057009018 /nfs/dbraw/zinc/00/90/18/1057009018.db2.gz RASBIXULJUPGQC-UHFFFAOYSA-N -1 3 305.349 4.326 20 0 DIADHM Cc1cc(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)on1 ZINC000124445065 1057043270 /nfs/dbraw/zinc/04/32/70/1057043270.db2.gz OZEFQGRJCLUJPV-UHFFFAOYSA-N -1 3 314.291 4.181 20 0 DIADHM O=c1[n-]c(-c2ccon2)nc2scc(C3CCCCC3)c21 ZINC000673696781 1057116558 /nfs/dbraw/zinc/11/65/58/1057116558.db2.gz AOQCNDADDHMCQU-UHFFFAOYSA-N -1 3 301.371 4.100 20 0 DIADHM CC[C@@H](C)Cc1c(C)sc2[n-]c(-c3cncs3)nc(=O)c12 ZINC000674238651 1057221356 /nfs/dbraw/zinc/22/13/56/1057221356.db2.gz DFSFBGRRDHMKCE-MRVPVSSYSA-N -1 3 319.455 4.417 20 0 DIADHM CC1(c2cccc(-c3ccc([O-])c(C(F)(F)F)c3)c2)OCCO1 ZINC001242162341 1057284252 /nfs/dbraw/zinc/28/42/52/1057284252.db2.gz LKVIFGVNVWCCJR-UHFFFAOYSA-N -1 3 324.298 4.298 20 0 DIADHM COCOc1ccc(C)cc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242161759 1057284379 /nfs/dbraw/zinc/28/43/79/1057284379.db2.gz BUHXGIXCWYFLGI-UHFFFAOYSA-N -1 3 312.287 4.369 20 0 DIADHM COc1ccc2nccc(-c3ccc([O-])c(C(F)(F)F)c3)c2n1 ZINC001242161760 1057284608 /nfs/dbraw/zinc/28/46/08/1057284608.db2.gz BUQWIOKEFKPRBT-UHFFFAOYSA-N -1 3 320.270 4.030 20 0 DIADHM [O-]c1ccc(-c2ccc3c(c2)NC(=S)C3)cc1C(F)(F)F ZINC001242168355 1057285518 /nfs/dbraw/zinc/28/55/18/1057285518.db2.gz NQGPQVWIVGJHNI-UHFFFAOYSA-N -1 3 309.312 4.373 20 0 DIADHM O=C1CC[C@@H](c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc2)N1 ZINC001242168625 1057285693 /nfs/dbraw/zinc/28/56/93/1057285693.db2.gz RMUHARBDCAJJHF-AWEZNQCLSA-N -1 3 321.298 4.029 20 0 DIADHM COC(=O)CCc1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242163141 1057286071 /nfs/dbraw/zinc/28/60/71/1057286071.db2.gz ZUURQGIYGUYKDS-UHFFFAOYSA-N -1 3 324.298 4.184 20 0 DIADHM COC(=O)[C@@H](C)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242168932 1057286090 /nfs/dbraw/zinc/28/60/90/1057286090.db2.gz WYXVCIFSNAXSQC-JTQLQIEISA-N -1 3 324.298 4.355 20 0 DIADHM CCOc1cc(Nc2ccc([O-])c(F)c2F)c(F)cc1F ZINC001212530436 1057320440 /nfs/dbraw/zinc/32/04/40/1057320440.db2.gz AASVUDVMQIWZRX-UHFFFAOYSA-N -1 3 301.239 4.091 20 0 DIADHM Cc1cc(-c2nnn[n-]2)ccc1-c1c(F)cccc1C(F)(F)F ZINC001242303797 1057328555 /nfs/dbraw/zinc/32/85/55/1057328555.db2.gz ODXCIFNOZGIOOK-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM Cc1cc(-c2nn[n-]n2)ccc1-c1c(F)cccc1C(F)(F)F ZINC001242303797 1057328558 /nfs/dbraw/zinc/32/85/58/1057328558.db2.gz ODXCIFNOZGIOOK-UHFFFAOYSA-N -1 3 322.265 4.000 20 0 DIADHM COc1ccc2ccccc2c1-c1ccc(-c2nnn[n-]2)cc1C ZINC001242335105 1057338821 /nfs/dbraw/zinc/33/88/21/1057338821.db2.gz ZQRRNLVUFVADKO-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COc1ccc2ccccc2c1-c1ccc(-c2nn[n-]n2)cc1C ZINC001242335105 1057338826 /nfs/dbraw/zinc/33/88/26/1057338826.db2.gz ZQRRNLVUFVADKO-UHFFFAOYSA-N -1 3 316.364 4.004 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)c(-c2cccc(F)c2[O-])c1 ZINC001242351963 1057342247 /nfs/dbraw/zinc/34/22/47/1057342247.db2.gz FBMCZFMZTFNIEJ-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM COC(=O)c1cc2c(cccc2-c2cccc(F)c2[O-])s1 ZINC001242351127 1057342989 /nfs/dbraw/zinc/34/29/89/1057342989.db2.gz PASPLXWEKXTIBT-UHFFFAOYSA-N -1 3 302.326 4.200 20 0 DIADHM CC(C)(C)C(=O)Nc1cc(F)ccc1-c1cccc(F)c1[O-] ZINC001242352332 1057343009 /nfs/dbraw/zinc/34/30/09/1057343009.db2.gz SIHPETURBYCOQX-UHFFFAOYSA-N -1 3 305.324 4.322 20 0 DIADHM CCN(CC)Cc1cccc(-c2cccc(C(=O)[O-])c2F)c1F ZINC001242381790 1057354931 /nfs/dbraw/zinc/35/49/31/1057354931.db2.gz GWCBUFKROFOLDS-UHFFFAOYSA-N -1 3 319.351 4.172 20 0 DIADHM CC(=O)c1ccc(C(F)(F)F)cc1Nc1cccc([O-])c1F ZINC001212552416 1057364135 /nfs/dbraw/zinc/36/41/35/1057364135.db2.gz QKQVYMRASWQSMK-UHFFFAOYSA-N -1 3 313.250 4.496 20 0 DIADHM FC(F)Oc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC001242439096 1057368055 /nfs/dbraw/zinc/36/80/55/1057368055.db2.gz BHCQZGOBTHDPLV-UHFFFAOYSA-N -1 3 322.258 4.053 20 0 DIADHM [O-]c1c(Cl)cc(-c2cc(N3CCCC3)ccn2)cc1Cl ZINC001242851287 1057498318 /nfs/dbraw/zinc/49/83/18/1057498318.db2.gz IPCPTJXSEBLLAV-UHFFFAOYSA-N -1 3 309.196 4.361 20 0 DIADHM Cc1nnc([N-][C@@H](c2cccs2)c2ccc(C(C)C)cc2)o1 ZINC000576250459 1057550572 /nfs/dbraw/zinc/55/05/72/1057550572.db2.gz UXBZIIDXTLMZJT-MRXNPFEDSA-N -1 3 313.426 4.764 20 0 DIADHM Cc1cc(OCc2ccccc2)ncc1-c1ccc(F)c([O-])c1 ZINC001243046424 1057557510 /nfs/dbraw/zinc/55/75/10/1057557510.db2.gz HPQMGFYFLWJGHY-UHFFFAOYSA-N -1 3 309.340 4.481 20 0 DIADHM O=C(NCc1ccccc1)c1ccccc1-c1ccc(F)c([O-])c1 ZINC001243049882 1057558089 /nfs/dbraw/zinc/55/80/89/1057558089.db2.gz BIHNSWGWFMXVJW-UHFFFAOYSA-N -1 3 321.351 4.128 20 0 DIADHM [O-]c1cc(-c2ccc(-c3nc4cc[nH]cc-4n3)cc2)ccc1F ZINC001243049627 1057558223 /nfs/dbraw/zinc/55/82/23/1057558223.db2.gz SDACXYRZWLEPAE-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM [O-]c1cc(-c2ncnc3c2cccc3C(F)(F)F)ccc1F ZINC001243050767 1057558317 /nfs/dbraw/zinc/55/83/17/1057558317.db2.gz SLHPAWYTLLGDGE-UHFFFAOYSA-N -1 3 308.234 4.160 20 0 DIADHM [O-]c1cc(-c2cncc(SCc3ccccc3)n2)ccc1F ZINC001243051578 1057558365 /nfs/dbraw/zinc/55/83/65/1057558365.db2.gz VZCHFKZYYBCBBQ-UHFFFAOYSA-N -1 3 312.369 4.281 20 0 DIADHM O=C(Nc1ccccc1)Nc1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001243050309 1057558920 /nfs/dbraw/zinc/55/89/20/1057558920.db2.gz WWZVNYYOTNMNCN-UHFFFAOYSA-N -1 3 323.327 4.237 20 0 DIADHM Cc1cc(C(=O)[O-])cc(-c2ccc3c(c2)C(C(C)C)=NCC3)c1 ZINC001243180093 1057595313 /nfs/dbraw/zinc/59/53/13/1057595313.db2.gz CZRKVWLJLXMLQR-UHFFFAOYSA-N -1 3 307.393 4.361 20 0 DIADHM CC(C)c1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)ccc1O ZINC001243244760 1057620069 /nfs/dbraw/zinc/62/00/69/1057620069.db2.gz GQMRJYRADOVZJX-UHFFFAOYSA-N -1 3 314.332 4.280 20 0 DIADHM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc([O-])c2ccccc2c1 ZINC000525918645 1057657063 /nfs/dbraw/zinc/65/70/63/1057657063.db2.gz FJZMTOHERNWWIG-SFHVURJKSA-N -1 3 321.351 4.102 20 0 DIADHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]1c1ccccc1 ZINC000525915913 1057657746 /nfs/dbraw/zinc/65/77/46/1057657746.db2.gz VPKZBWBXPODLQE-SFHVURJKSA-N -1 3 303.361 4.133 20 0 DIADHM Cc1ccc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527154277 1057660408 /nfs/dbraw/zinc/66/04/08/1057660408.db2.gz RFCYJJLTHKZSAP-UHFFFAOYSA-N -1 3 305.377 4.126 20 0 DIADHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000527175944 1057661699 /nfs/dbraw/zinc/66/16/99/1057661699.db2.gz MUPHBZATOVTQCM-CYBMUJFWSA-N -1 3 323.392 4.198 20 0 DIADHM CSc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000527470697 1057663744 /nfs/dbraw/zinc/66/37/44/1057663744.db2.gz LUYSUIMLWJHXGX-UHFFFAOYSA-N -1 3 323.417 4.197 20 0 DIADHM Cc1cc(N2CCCCC2)ncc1-c1cc(F)cc(F)c1[O-] ZINC001243504007 1057697158 /nfs/dbraw/zinc/69/71/58/1057697158.db2.gz XBOAMHMTMLCFKH-UHFFFAOYSA-N -1 3 304.340 4.031 20 0 DIADHM CSc1ccc(C(F)(F)F)nc1-c1cccc([O-])c1F ZINC001243541815 1057708497 /nfs/dbraw/zinc/70/84/97/1057708497.db2.gz IQQUEKXJIOUOPE-UHFFFAOYSA-N -1 3 303.280 4.334 20 0 DIADHM [O-]c1cccc(-c2nc(-c3ccccn3)nc3ccccc32)c1F ZINC001243543596 1057708728 /nfs/dbraw/zinc/70/87/28/1057708728.db2.gz GUQLQQXQTAPYAI-UHFFFAOYSA-N -1 3 317.323 4.204 20 0 DIADHM CC(C)(C)OC(=O)Cc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546254 1057709259 /nfs/dbraw/zinc/70/92/59/1057709259.db2.gz ZLQYXKDGVMGVIF-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM CCOC(=O)C(C)(C)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243545491 1057709585 /nfs/dbraw/zinc/70/95/85/1057709585.db2.gz CDWOHFVNFOJTNE-UHFFFAOYSA-N -1 3 302.345 4.039 20 0 DIADHM [O-]c1cccc(-c2ccc(OCc3ccc(F)cc3)nc2)c1F ZINC001243546262 1057709792 /nfs/dbraw/zinc/70/97/92/1057709792.db2.gz KVTRIJXLGGFXKP-UHFFFAOYSA-N -1 3 313.303 4.311 20 0 DIADHM CSc1cnc(-c2cccc([O-])c2F)c(C(F)(F)F)c1 ZINC001243544528 1057709835 /nfs/dbraw/zinc/70/98/35/1057709835.db2.gz RFJHALSHKJBZJA-UHFFFAOYSA-N -1 3 303.280 4.334 20 0 DIADHM COc1cc(-c2cccc([O-])c2F)ccc1OC(F)(F)F ZINC001243548385 1057710389 /nfs/dbraw/zinc/71/03/89/1057710389.db2.gz CIJKRIRZXRVCDE-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COc1ccc(-c2cccc([O-])c2F)c(OC(F)(F)F)c1 ZINC001243547168 1057710418 /nfs/dbraw/zinc/71/04/18/1057710418.db2.gz KWEQHQFVRNFFQL-UHFFFAOYSA-N -1 3 302.223 4.106 20 0 DIADHM COC(=O)c1ccc(C(F)(F)F)cc1-c1cccc([O-])c1F ZINC001243548074 1057710663 /nfs/dbraw/zinc/71/06/63/1057710663.db2.gz ZCOZIKHPSJTDFN-UHFFFAOYSA-N -1 3 314.234 4.004 20 0 DIADHM CC(C)Oc1cccc(OC(=O)c2cc3ccsc3[n-]2)c1 ZINC000730930942 1057729137 /nfs/dbraw/zinc/72/91/37/1057729137.db2.gz VOYQEAFGLIKWJC-UHFFFAOYSA-N -1 3 301.367 4.236 20 0 DIADHM COc1cc(F)c(-c2ccc(C(F)(F)F)cc2[O-])c(OC)c1 ZINC001243608495 1057731668 /nfs/dbraw/zinc/73/16/68/1057731668.db2.gz IWRRNHDFEGYGSM-UHFFFAOYSA-N -1 3 316.250 4.234 20 0 DIADHM Cc1ncc(-c2ccc(C(F)(F)F)cc2[O-])c(C(F)(F)F)n1 ZINC001243611471 1057733240 /nfs/dbraw/zinc/73/32/40/1057733240.db2.gz HUTWKNNRTZDQCJ-UHFFFAOYSA-N -1 3 322.208 4.195 20 0 DIADHM O=c1[n-]c(Oc2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000731905387 1057758801 /nfs/dbraw/zinc/75/88/01/1057758801.db2.gz DHFYQRBOHUTGMM-UHFFFAOYSA-N -1 3 307.136 4.435 20 0 DIADHM CCc1cc(Oc2nc3ccccc3c(=O)[n-]2)ccc1Cl ZINC000731905483 1057759008 /nfs/dbraw/zinc/75/90/08/1057759008.db2.gz KCESCBRMANKKLX-UHFFFAOYSA-N -1 3 300.745 4.344 20 0 DIADHM CC(C)(C)c1nc(CNCc2ccc([O-])c(Cl)c2)cs1 ZINC000733327007 1057812888 /nfs/dbraw/zinc/81/28/88/1057812888.db2.gz IUQFDJYLXPTGDK-UHFFFAOYSA-N -1 3 310.850 4.089 20 0 DIADHM FC(F)(F)c1ccc(-c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001243983747 1057828745 /nfs/dbraw/zinc/82/87/45/1057828745.db2.gz RDRJYPQJQZMXFH-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM FC(F)(F)c1ccc(-c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001243983747 1057828747 /nfs/dbraw/zinc/82/87/47/1057828747.db2.gz RDRJYPQJQZMXFH-UHFFFAOYSA-N -1 3 324.693 4.206 20 0 DIADHM CC(C)(C)OC(=O)c1cncc(-c2c([O-])cccc2Cl)c1 ZINC001244049507 1057849480 /nfs/dbraw/zinc/84/94/80/1057849480.db2.gz CMZHWFFFAZSKBV-UHFFFAOYSA-N -1 3 305.761 4.063 20 0 DIADHM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2ccc(F)cc21 ZINC001244454900 1057962698 /nfs/dbraw/zinc/96/26/98/1057962698.db2.gz BULKFWJROUTXSJ-UHFFFAOYSA-N -1 3 324.233 4.040 20 0 DIADHM CSCc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244459154 1057963535 /nfs/dbraw/zinc/96/35/35/1057963535.db2.gz ZJLJEYPEDBHJPV-UHFFFAOYSA-N -1 3 315.316 4.216 20 0 DIADHM CCOC(=O)c1cc2ccc(-c3ccc(Cl)cc3[O-])cc2[nH]1 ZINC001244469785 1057968097 /nfs/dbraw/zinc/96/80/97/1057968097.db2.gz STHCKPPROZKECF-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM CC1(C)CC(=O)Nc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244469646 1057968242 /nfs/dbraw/zinc/96/82/42/1057968242.db2.gz NXQSCPOBIJUHPL-UHFFFAOYSA-N -1 3 301.773 4.332 20 0 DIADHM CCOC(=O)c1cc(-c2ccc(Cl)cc2[O-])cc2cc[nH]c21 ZINC001244471149 1057968695 /nfs/dbraw/zinc/96/86/95/1057968695.db2.gz FBXUWVLWZTXCJJ-UHFFFAOYSA-N -1 3 315.756 4.371 20 0 DIADHM CCOC(=O)c1ccc(-c2ccc(Cl)cc2[O-])c(OCC)c1 ZINC001244470089 1057968941 /nfs/dbraw/zinc/96/89/41/1057968941.db2.gz ZGYSCMAZYWAFSI-UHFFFAOYSA-N -1 3 320.772 4.288 20 0 DIADHM O=C(Nc1ccc(-c2ccc(Cl)cc2[O-])cc1)c1ccccn1 ZINC001244471547 1057968948 /nfs/dbraw/zinc/96/89/48/1057968948.db2.gz HWHUXNTVGRMYMC-UHFFFAOYSA-N -1 3 324.767 4.360 20 0 DIADHM COC(=O)c1nc2ccc(-c3ccc(Cl)cc3[O-])cc2s1 ZINC001244471141 1057969019 /nfs/dbraw/zinc/96/90/19/1057969019.db2.gz DSKDODHZQQJPPW-UHFFFAOYSA-N -1 3 319.769 4.109 20 0 DIADHM CCOC(=O)c1noc2ccc(-c3ccc(Cl)cc3[O-])cc21 ZINC001244472209 1057969344 /nfs/dbraw/zinc/96/93/44/1057969344.db2.gz OILDKRHRUATYDJ-UHFFFAOYSA-N -1 3 317.728 4.031 20 0 DIADHM COC(=O)c1cccc2c(-c3ccc(Cl)cc3[O-])ccnc12 ZINC001244472020 1057969410 /nfs/dbraw/zinc/96/94/10/1057969410.db2.gz KGTZYDHNZZXDML-UHFFFAOYSA-N -1 3 313.740 4.047 20 0 DIADHM O=C1NCCC/C1=C\c1cccc(-c2ccc(Cl)cc2[O-])c1 ZINC001244472615 1057969521 /nfs/dbraw/zinc/96/95/21/1057969521.db2.gz NLVMFFDYFONQMU-GXDHUFHOSA-N -1 3 313.784 4.006 20 0 DIADHM COc1cc2ccnc(-c3cc(C)c(F)c([O-])c3)c2cc1OC ZINC001244506347 1057979579 /nfs/dbraw/zinc/97/95/79/1057979579.db2.gz NOLYOLNHDLOSEP-UHFFFAOYSA-N -1 3 313.328 4.072 20 0 DIADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)nc(-c2cccs2)n1 ZINC001244509048 1057981201 /nfs/dbraw/zinc/98/12/01/1057981201.db2.gz YOZRDCZZTKBEDM-UHFFFAOYSA-N -1 3 300.358 4.334 20 0 DIADHM Cc1cc(-c2cc(C3(C(F)(F)F)CC3)ccn2)cc([O-])c1F ZINC001244517135 1057983972 /nfs/dbraw/zinc/98/39/72/1057983972.db2.gz ISXPNEJGVXNATO-UHFFFAOYSA-N -1 3 311.278 4.496 20 0 DIADHM CCOC(=O)C1(c2ccc(-c3cc(C)c(F)c([O-])c3)cc2)CC1 ZINC001244520941 1057984570 /nfs/dbraw/zinc/98/45/70/1057984570.db2.gz OVATYSOFTYUXOJ-UHFFFAOYSA-N -1 3 314.356 4.101 20 0 DIADHM Cc1cc(-c2cccc3[nH]c(C(F)(F)F)nc32)cc([O-])c1F ZINC001244525859 1057986115 /nfs/dbraw/zinc/98/61/15/1057986115.db2.gz UQLQBCLOAOSJKI-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM COC(=O)c1c(F)ccc(SC)c1-c1cc(C)c(F)c([O-])c1 ZINC001244529884 1057986615 /nfs/dbraw/zinc/98/66/15/1057986615.db2.gz GCLKBCRRNKZDNH-UHFFFAOYSA-N -1 3 324.348 4.154 20 0 DIADHM COC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)c(C)c1F ZINC001244548047 1057992789 /nfs/dbraw/zinc/99/27/89/1057992789.db2.gz UIEVXPQEXYTISH-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM CCOC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244545953 1057993063 /nfs/dbraw/zinc/99/30/63/1057993063.db2.gz BRAJBDCOMIMUDQ-UHFFFAOYSA-N -1 3 308.736 4.337 20 0 DIADHM CC[S@@](=N)(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244550722 1057993694 /nfs/dbraw/zinc/99/36/94/1057993694.db2.gz JITCWPPLMCJOGK-HXUWFJFHSA-N -1 3 309.818 4.447 20 0 DIADHM COC(=O)[C@@H](C)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1 ZINC001244550994 1057993727 /nfs/dbraw/zinc/99/37/27/1057993727.db2.gz RIGITFIRLOPHEW-NSHDSACASA-N -1 3 304.773 4.298 20 0 DIADHM COC(=O)c1c[nH]c2c1cccc2-c1cc(C)c([O-])c(Cl)c1 ZINC001244550594 1057993769 /nfs/dbraw/zinc/99/37/69/1057993769.db2.gz GDKUVNRQDUJXOC-UHFFFAOYSA-N -1 3 315.756 4.289 20 0 DIADHM Cc1cc(-c2ccc3nnc(C(C)(C)C)n3c2)cc(Cl)c1[O-] ZINC001244550820 1057993827 /nfs/dbraw/zinc/99/38/27/1057993827.db2.gz NTDLYXUAVUGOBE-UHFFFAOYSA-N -1 3 315.804 4.361 20 0 DIADHM COC(=O)c1c(C)cc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244550374 1057993846 /nfs/dbraw/zinc/99/38/46/1057993846.db2.gz CSPKAOQLORGPJK-UHFFFAOYSA-N -1 3 308.736 4.255 20 0 DIADHM COC(=O)C1(c2ccc(-c3cc(C)c([O-])c(Cl)c3)cc2)CC1 ZINC001244550951 1057993859 /nfs/dbraw/zinc/99/38/59/1057993859.db2.gz PGDIADRXYVYMPE-UHFFFAOYSA-N -1 3 316.784 4.226 20 0 DIADHM CCOC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1OC ZINC001244553147 1057994193 /nfs/dbraw/zinc/99/41/93/1057994193.db2.gz DVKFUSKKVBEWHN-UHFFFAOYSA-N -1 3 320.772 4.206 20 0 DIADHM Cc1cc(-c2ccc([C@H]3CCCNC3=O)cc2)cc(Cl)c1[O-] ZINC001244553719 1057994506 /nfs/dbraw/zinc/99/45/06/1057994506.db2.gz IASCFKOGENLBBU-OAHLLOKOSA-N -1 3 315.800 4.015 20 0 DIADHM Cc1cc(-c2ccc(F)c(-n3ccnc3)c2)cc(Cl)c1[O-] ZINC001244555660 1057995029 /nfs/dbraw/zinc/99/50/29/1057995029.db2.gz QEPBCICCKDZSII-UHFFFAOYSA-N -1 3 302.736 4.346 20 0 DIADHM CCOC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244555825 1057995066 /nfs/dbraw/zinc/99/50/66/1057995066.db2.gz SDIXYROJIQASCE-UHFFFAOYSA-N -1 3 322.763 4.266 20 0 DIADHM COc1c(F)cc(-c2ccc3c(c2)[N-]C(=S)C3)cc1Cl ZINC001244700109 1058030352 /nfs/dbraw/zinc/03/03/52/1058030352.db2.gz JNPOFUYNFRYNGB-UHFFFAOYSA-N -1 3 307.777 4.450 20 0 DIADHM COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1OC(C)C ZINC001244885500 1058065512 /nfs/dbraw/zinc/06/55/12/1058065512.db2.gz GCEQQJJNEJRLLB-UHFFFAOYSA-N -1 3 313.422 4.445 20 0 DIADHM COc1c(OCc2ccccc2)cccc1-c1ccc(=S)[n-]n1 ZINC001244998099 1058088451 /nfs/dbraw/zinc/08/84/51/1058088451.db2.gz XQNGBUGBZQNILX-UHFFFAOYSA-N -1 3 324.405 4.020 20 0 DIADHM COC(=O)c1cc2cc(-c3cc(Cl)ccc3[O-])c(F)cc2[nH]1 ZINC001245053078 1058103197 /nfs/dbraw/zinc/10/31/97/1058103197.db2.gz SPJYGDQKZHPZQP-UHFFFAOYSA-N -1 3 319.719 4.120 20 0 DIADHM COc1ccc(-c2cc(-c3ccc([O-])cc3Cl)ncn2)cc1 ZINC001245080185 1058107498 /nfs/dbraw/zinc/10/74/98/1058107498.db2.gz UXSCNMXJKOSSFO-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM CCOc1ccc2ncnc(-c3ccc([O-])cc3Cl)c2c1 ZINC001245077838 1058107705 /nfs/dbraw/zinc/10/77/05/1058107705.db2.gz HJAHMWHFNURAIX-UHFFFAOYSA-N -1 3 300.745 4.055 20 0 DIADHM C[C@@H]1CCCCN1c1cccc(-c2ccc([O-])cc2Cl)n1 ZINC001245079128 1058107951 /nfs/dbraw/zinc/10/79/51/1058107951.db2.gz MIFNKROBLRMAKR-GFCCVEGCSA-N -1 3 302.805 4.486 20 0 DIADHM Cc1nc(-c2ccccn2)nc(-c2ccc([O-])cc2Cl)c1C ZINC001245079532 1058107985 /nfs/dbraw/zinc/10/79/85/1058107985.db2.gz PNEHQZYKDCDOAP-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM COc1ccccc1-c1ccc(-c2ccc([O-])cc2Cl)nn1 ZINC001245078903 1058107996 /nfs/dbraw/zinc/10/79/96/1058107996.db2.gz MPUCUBXLHDPDJU-UHFFFAOYSA-N -1 3 312.756 4.178 20 0 DIADHM [O-]c1ccc(-c2nnc3c(c2C(F)(F)F)CCC3)c(Cl)c1 ZINC001245079548 1058108009 /nfs/dbraw/zinc/10/80/09/1058108009.db2.gz PYWYAPIBIMKXKO-UHFFFAOYSA-N -1 3 314.694 4.010 20 0 DIADHM Cc1nc(-c2cccnc2)nc(-c2ccc([O-])cc2Cl)c1C ZINC001245080227 1058108251 /nfs/dbraw/zinc/10/82/51/1058108251.db2.gz WFAJZAQUPPPCDN-UHFFFAOYSA-N -1 3 311.772 4.181 20 0 DIADHM CSc1nc2sccc2c(-c2ccc([O-])cc2Cl)n1 ZINC001245081805 1058108358 /nfs/dbraw/zinc/10/83/58/1058108358.db2.gz MDOXOGFVGQEPBZ-UHFFFAOYSA-N -1 3 308.815 4.439 20 0 DIADHM CSc1nc(-c2ccc([O-])cc2Cl)cc(C(F)(F)F)n1 ZINC001245082074 1058108520 /nfs/dbraw/zinc/10/85/20/1058108520.db2.gz RXPJLVYANOBMCW-UHFFFAOYSA-N -1 3 320.723 4.243 20 0 DIADHM CSc1nc2c(c(-c3ccc([O-])cc3Cl)n1)CCCC2 ZINC001245082092 1058108575 /nfs/dbraw/zinc/10/85/75/1058108575.db2.gz SLEFTPFEMDWNOK-UHFFFAOYSA-N -1 3 306.818 4.103 20 0 DIADHM Cc1ccc(Cl)cc1NC(=S)Nc1ccc(F)c([O-])c1 ZINC001245167186 1058123417 /nfs/dbraw/zinc/12/34/17/1058123417.db2.gz HJVXBSRKXGNMMF-UHFFFAOYSA-N -1 3 310.781 4.302 20 0 DIADHM Cc1ccc(NC(=S)N[C@@H](C)c2ccccc2)c(Cl)c1[O-] ZINC001245519851 1058195682 /nfs/dbraw/zinc/19/56/82/1058195682.db2.gz UJNMRZJJHGVLEP-NSHDSACASA-N -1 3 320.845 4.402 20 0 DIADHM [O-]c1cccc(F)c1-c1cncc(-c2nc3ccccc3[nH]2)c1 ZINC001245656912 1058312529 /nfs/dbraw/zinc/31/25/29/1058312529.db2.gz XUDSHRZTNUBSRO-UHFFFAOYSA-N -1 3 305.312 4.137 20 0 DIADHM CC(C)(C)OC(=O)Cc1ccc(-c2c([O-])cccc2F)cc1 ZINC001245657141 1058313031 /nfs/dbraw/zinc/31/30/31/1058313031.db2.gz UFFBLVFUFOJUJP-UHFFFAOYSA-N -1 3 302.345 4.083 20 0 DIADHM O=C1Cc2ccc(-c3c([O-])cccc3F)cc2N1c1ccccc1 ZINC001245656191 1058314756 /nfs/dbraw/zinc/31/47/56/1058314756.db2.gz GPZHLXOBSKVTIF-UHFFFAOYSA-N -1 3 319.335 4.419 20 0 DIADHM O=C([O-])c1cc(Cl)cc(CN2CCC(C3CCC3)CC2)c1 ZINC001550703816 1058354340 /nfs/dbraw/zinc/35/43/40/1058354340.db2.gz MNFNQYIBGFAXDA-UHFFFAOYSA-N -1 3 307.821 4.050 20 0 DIADHM COc1c(Cl)ccc(F)c1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001245734252 1058415476 /nfs/dbraw/zinc/41/54/76/1058415476.db2.gz RRNGNCXLNKDBNW-UHFFFAOYSA-N -1 3 307.777 4.450 20 0 DIADHM COC(=O)c1c(Cl)cccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001245770491 1058457688 /nfs/dbraw/zinc/45/76/88/1058457688.db2.gz GEDJWSJHGHHPKD-UHFFFAOYSA-N -1 3 317.797 4.089 20 0 DIADHM CCOc1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(Cl)cn1 ZINC001245818677 1058509307 /nfs/dbraw/zinc/50/93/07/1058509307.db2.gz SOLRRPMHBHXNBJ-UHFFFAOYSA-N -1 3 304.802 4.096 20 0 DIADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c1 ZINC001556101658 1058543873 /nfs/dbraw/zinc/54/38/73/1058543873.db2.gz ZBHSKEIVHNSCAS-NRFANRHFSA-N -1 3 323.436 4.192 20 0 DIADHM CCc1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001556254917 1058569424 /nfs/dbraw/zinc/56/94/24/1058569424.db2.gz HETCWBWLAXPVLG-QZTJIDSGSA-N -1 3 323.436 4.096 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c1 ZINC001556281391 1058572961 /nfs/dbraw/zinc/57/29/61/1058572961.db2.gz HJWFMPXERSXIOW-KGLIPLIRSA-N -1 3 321.486 4.449 20 0 DIADHM Cc1cc(F)c(C(=O)[N-]c2c(F)cc(Cl)cc2F)c(F)c1 ZINC001520437803 1058613654 /nfs/dbraw/zinc/61/36/54/1058613654.db2.gz DXCJAPRMCXMWOQ-UHFFFAOYSA-N -1 3 317.669 4.457 20 0 DIADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001556596357 1058618748 /nfs/dbraw/zinc/61/87/48/1058618748.db2.gz JFANKCUQMSXFIR-NWDGAFQWSA-N -1 3 303.427 4.258 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CCCCCCCC1 ZINC001556641271 1058623831 /nfs/dbraw/zinc/62/38/31/1058623831.db2.gz SFKUZKRMURUVMO-UHFFFAOYSA-N -1 3 303.427 4.403 20 0 DIADHM CC(=O)c1cccc(NC(=O)CCC2CCCCCC2)c1[O-] ZINC001556853499 1058655346 /nfs/dbraw/zinc/65/53/46/1058655346.db2.gz KBOWOUCFTORWQY-UHFFFAOYSA-N -1 3 303.402 4.284 20 0 DIADHM CC(=O)c1cccc(NC(=O)c2ccc(C)c(C)c2Cl)c1[O-] ZINC001556853798 1058656333 /nfs/dbraw/zinc/65/63/33/1058656333.db2.gz TUZVZSWAGRVJII-UHFFFAOYSA-N -1 3 317.772 4.117 20 0 DIADHM CC(C)Cc1ccc(CCCC(=O)[N-]OC/C=C/Cl)cc1 ZINC001556894112 1058667414 /nfs/dbraw/zinc/66/74/14/1058667414.db2.gz VNGZUNCWCCTTHE-NYYWCZLTSA-N -1 3 309.837 4.008 20 0 DIADHM CCc1ccc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)c([O-])c1 ZINC001556954185 1058675335 /nfs/dbraw/zinc/67/53/35/1058675335.db2.gz CBYPRHXOAVFRFN-GOSISDBHSA-N -1 3 315.457 4.386 20 0 DIADHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1[O-] ZINC001557027848 1058687373 /nfs/dbraw/zinc/68/73/73/1058687373.db2.gz BNXWPNYYDMPGCU-HOTGVXAUSA-N -1 3 303.446 4.291 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc(F)c2SC)c1 ZINC001557461456 1058751898 /nfs/dbraw/zinc/75/18/98/1058751898.db2.gz VPVDJVVDMLPSEU-UHFFFAOYSA-N -1 3 305.374 4.068 20 0 DIADHM CCCCCC[C@@H](CC)CN(C)C(=O)c1ccc(O)cc1[O-] ZINC001557649857 1058781680 /nfs/dbraw/zinc/78/16/80/1058781680.db2.gz RDSRTOZDDRUHHK-CQSZACIVSA-N -1 3 307.434 4.166 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1ccc(C(F)F)o1 ZINC001529660297 1058788080 /nfs/dbraw/zinc/78/80/80/1058788080.db2.gz FBXRXYSIPRASLM-UHFFFAOYSA-N -1 3 301.289 4.331 20 0 DIADHM CN(C(=O)c1cc2sccc2c([O-])c1)c1cccc2cc[nH]c21 ZINC001557874220 1058807355 /nfs/dbraw/zinc/80/73/55/1058807355.db2.gz KCAVLOXKNNPFAW-UHFFFAOYSA-N -1 3 322.389 4.365 20 0 DIADHM O=C(NCC[C@H]1CC=CCC1)c1cc2sccc2c([O-])c1 ZINC001557944583 1058816047 /nfs/dbraw/zinc/81/60/47/1058816047.db2.gz FJYNMIWTADIBOZ-LBPRGKRZSA-N -1 3 301.411 4.083 20 0 DIADHM CCCCCC[C@@H](CC)C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001558948085 1058926111 /nfs/dbraw/zinc/92/61/11/1058926111.db2.gz QMKSJFVMUCTWOB-CYBMUJFWSA-N -1 3 318.421 4.308 20 0 DIADHM [O-]c1ccccc1-c1nnc(CSc2ccc(F)cc2F)o1 ZINC001559350511 1059178068 /nfs/dbraw/zinc/17/80/68/1059178068.db2.gz ODFACCDSOPVMOE-UHFFFAOYSA-N -1 3 320.320 4.013 20 0 DIADHM Cc1cc(=O)[n-]c(CSc2ccc(-c3ccccc3)cc2)n1 ZINC001559361456 1059186304 /nfs/dbraw/zinc/18/63/04/1059186304.db2.gz ASPNPEZELGZNCV-UHFFFAOYSA-N -1 3 308.406 4.450 20 0 DIADHM [O-]c1ccccc1-c1nc(CSCc2ccccc2F)no1 ZINC001559480969 1059252404 /nfs/dbraw/zinc/25/24/04/1059252404.db2.gz XTWCFPCLFCKTLI-UHFFFAOYSA-N -1 3 316.357 4.015 20 0 DIADHM CC(C)c1ccc(C(C)(C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC001532346789 1059597725 /nfs/dbraw/zinc/59/77/25/1059597725.db2.gz VSPLBBVOMUQCCI-UHFFFAOYSA-N -1 3 305.315 4.062 20 0 DIADHM [O-]c1ccc(Cc2nc(-c3ccc4ccccc4c3)no2)c(F)c1 ZINC001248141455 1059737712 /nfs/dbraw/zinc/73/77/12/1059737712.db2.gz BYBBXTXPABQPJW-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM CC(C)Cc1nsc([N-]C(=O)c2cc3sccc3s2)n1 ZINC001278513077 1060169921 /nfs/dbraw/zinc/16/99/21/1060169921.db2.gz XRGNGFSTEBQQAC-UHFFFAOYSA-N -1 3 323.468 4.265 20 0 DIADHM CSc1cc(F)ccc1[N-]C(=O)c1c(F)cc(C)cc1F ZINC001526499449 1060237902 /nfs/dbraw/zinc/23/79/02/1060237902.db2.gz HHRQYYOMTGOAIB-UHFFFAOYSA-N -1 3 311.328 4.387 20 0 DIADHM O=C1CCCCc2ccc(Nc3cc([O-])c(F)cc3F)cc21 ZINC001249893626 1060455830 /nfs/dbraw/zinc/45/58/30/1060455830.db2.gz MRRGLGSKBQTZNH-UHFFFAOYSA-N -1 3 303.308 4.323 20 0 DIADHM COc1cccc(C([O-])=Cc2c(F)cc(SC)cc2F)c1 ZINC001249902476 1060466310 /nfs/dbraw/zinc/46/63/10/1060466310.db2.gz OHFFUZAWQUJCML-UHFFFAOYSA-N -1 3 308.349 4.121 20 0 DIADHM COC(=O)c1c(Cl)cccc1Nc1ccc([O-])c(Cl)c1 ZINC001250148040 1060644514 /nfs/dbraw/zinc/64/45/14/1060644514.db2.gz FKIDUQDJYXBTLW-UHFFFAOYSA-N -1 3 312.152 4.229 20 0 DIADHM CCOc1cc([N-]c2nc3ccc(F)cc3o2)c(Cl)cn1 ZINC001250209881 1060689392 /nfs/dbraw/zinc/68/93/92/1060689392.db2.gz FDFZROULHXRABC-UHFFFAOYSA-N -1 3 307.712 4.158 20 0 DIADHM [O-]c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2F)cc1F ZINC001560885142 1060746630 /nfs/dbraw/zinc/74/66/30/1060746630.db2.gz TVPUYGJTQCHAJJ-MRXNPFEDSA-N -1 3 307.315 4.147 20 0 DIADHM Cc1c2nc(-c3c([O-])cccc3Br)[nH]c2ccc1F ZINC001250843451 1061092716 /nfs/dbraw/zinc/09/27/16/1061092716.db2.gz KAVKPCYKRYHCBG-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM COc1cc2nc(-c3c([O-])cccc3Cl)[nH]c2cc1Cl ZINC001250863435 1061098983 /nfs/dbraw/zinc/09/89/83/1061098983.db2.gz CTAPDKNWXVDRFD-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM COc1cc2[nH]c(-c3c([O-])cccc3Cl)nc2cc1Cl ZINC001250863435 1061099001 /nfs/dbraw/zinc/09/90/01/1061099001.db2.gz CTAPDKNWXVDRFD-UHFFFAOYSA-N -1 3 309.152 4.251 20 0 DIADHM [O-]c1cnccc1-c1nc2c(cc(C(F)(F)F)cc2Cl)[nH]1 ZINC001250860841 1061099707 /nfs/dbraw/zinc/09/97/07/1061099707.db2.gz VNNLDPOBEAUFES-UHFFFAOYSA-N -1 3 313.666 4.003 20 0 DIADHM COCCCn1c2ccccc2nc1-c1c([O-])cccc1Cl ZINC001250863423 1061100288 /nfs/dbraw/zinc/10/02/88/1061100288.db2.gz CFLPLFNPMRQEEV-UHFFFAOYSA-N -1 3 316.788 4.099 20 0 DIADHM CCCn1c2cc(OC)ccc2nc1-c1c([O-])cccc1Cl ZINC001250863506 1061100616 /nfs/dbraw/zinc/10/06/16/1061100616.db2.gz GMCXLDKWPGWQAO-UHFFFAOYSA-N -1 3 316.788 4.481 20 0 DIADHM Cc1cc(F)ccc1[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC001462340798 1061118162 /nfs/dbraw/zinc/11/81/62/1061118162.db2.gz QWHKYDHNJXEIFV-MRXNPFEDSA-N -1 3 321.342 4.455 20 0 DIADHM [O-]c1cc(F)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(F)c1 ZINC001251008024 1061178382 /nfs/dbraw/zinc/17/83/82/1061178382.db2.gz YNKYEKBQQDLPAR-UHFFFAOYSA-N -1 3 314.213 4.233 20 0 DIADHM CN(C)c1ccc2[nH]c(-c3ccc([O-])c(C(F)(F)F)c3)nc2c1 ZINC001251020761 1061187361 /nfs/dbraw/zinc/18/73/61/1061187361.db2.gz SOUKESMOTLPZMN-UHFFFAOYSA-N -1 3 321.302 4.020 20 0 DIADHM CC(=O)c1ccc2[nH]c(-c3cc(Cl)c(C)cc3[O-])nc2c1 ZINC001251047831 1061200857 /nfs/dbraw/zinc/20/08/57/1061200857.db2.gz IQNAQOQRBTVXAI-UHFFFAOYSA-N -1 3 300.745 4.100 20 0 DIADHM CCn1c2ccccc2nc1-c1cc(Cl)c(OC)cc1[O-] ZINC001251082683 1061229571 /nfs/dbraw/zinc/22/95/71/1061229571.db2.gz LWZRTKQSZBRESS-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001455839718 1061235874 /nfs/dbraw/zinc/23/58/74/1061235874.db2.gz WFPROPIWGLQZSQ-CRAIPNDOSA-N -1 3 323.436 4.096 20 0 DIADHM Cc1cc(-c2nc(C(=O)[N-]c3cscc3Cl)co2)ccn1 ZINC001462559212 1061263341 /nfs/dbraw/zinc/26/33/41/1061263341.db2.gz YNWJEEHQMGAQHL-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM [O-]c1ccc(CNc2ccc3c(c2)C=CC2(CCC2)O3)cc1F ZINC001462581637 1061276787 /nfs/dbraw/zinc/27/67/87/1061276787.db2.gz YWCJXKHNEJYQFA-UHFFFAOYSA-N -1 3 311.356 4.472 20 0 DIADHM CN(C)c1cc(NCc2c(F)ccc([O-])c2F)ccc1Cl ZINC001462598878 1061286369 /nfs/dbraw/zinc/28/63/69/1061286369.db2.gz ZACUNSWYPFGGAB-UHFFFAOYSA-N -1 3 312.747 4.002 20 0 DIADHM Cc1ccc(F)c2nc(-c3cc([O-])cc(Br)c3)[nH]c21 ZINC001251244360 1061288331 /nfs/dbraw/zinc/28/83/31/1061288331.db2.gz ABELXIMVZHEPRX-UHFFFAOYSA-N -1 3 321.149 4.146 20 0 DIADHM CCn1c2ccccc2nc1-c1ccc(OC)c([O-])c1Cl ZINC001251338282 1061321003 /nfs/dbraw/zinc/32/10/03/1061321003.db2.gz BHRMNFOIZSZHGF-UHFFFAOYSA-N -1 3 302.761 4.091 20 0 DIADHM Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3[O-])nc2cc1F ZINC001251348641 1061329100 /nfs/dbraw/zinc/32/91/00/1061329100.db2.gz FMXMSUKBAMNLEJ-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM Cn1c(-c2ccc(C(F)(F)F)cc2[O-])nc2cccc(F)c21 ZINC001251348640 1061330718 /nfs/dbraw/zinc/33/07/18/1061330718.db2.gz FMMXDWJSOMNCOQ-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM Cc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3[O-])nc2c1F ZINC001251348593 1061331081 /nfs/dbraw/zinc/33/10/81/1061331081.db2.gz BFUYMJTWKVYLLK-UHFFFAOYSA-N -1 3 310.250 4.402 20 0 DIADHM CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC001462784217 1061356927 /nfs/dbraw/zinc/35/69/27/1061356927.db2.gz XJVOBDHTDJIYLY-LLVKDONJSA-N -1 3 321.845 4.116 20 0 DIADHM Cc1cc(Br)c([O-])c(-c2nc3cccc(C)c3[nH]2)c1 ZINC001251469878 1061369983 /nfs/dbraw/zinc/36/99/83/1061369983.db2.gz FMSXWPKIDSAEQZ-UHFFFAOYSA-N -1 3 317.186 4.315 20 0 DIADHM C=Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC001251489937 1061377284 /nfs/dbraw/zinc/37/72/84/1061377284.db2.gz UBRZQTUZXIUNDM-UHFFFAOYSA-N -1 3 301.411 4.056 20 0 DIADHM COc1cc([O-])c(-c2nc3c(ccc(C)c3F)[nH]2)c(Cl)c1 ZINC001251491211 1061378014 /nfs/dbraw/zinc/37/80/14/1061378014.db2.gz ILHCNPYQHDWAID-UHFFFAOYSA-N -1 3 306.724 4.045 20 0 DIADHM CCn1c2ccc3ncccc3c2nc1-c1cc([O-])cc(F)c1 ZINC001251570036 1061404274 /nfs/dbraw/zinc/40/42/74/1061404274.db2.gz QGXJXIRAQVQEJT-UHFFFAOYSA-N -1 3 307.328 4.116 20 0 DIADHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001463026668 1061407971 /nfs/dbraw/zinc/40/79/71/1061407971.db2.gz SDXRJGLKBSVUAB-GHMZBOCLSA-N -1 3 321.895 4.039 20 0 DIADHM CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1 ZINC001457215759 1061423261 /nfs/dbraw/zinc/42/32/61/1061423261.db2.gz WINAEIWTEAUNFD-CQSZACIVSA-N -1 3 319.470 4.157 20 0 DIADHM COCCn1c2ccccc2nc1-c1cc(Cl)cc(C)c1[O-] ZINC001251644422 1061430307 /nfs/dbraw/zinc/43/03/07/1061430307.db2.gz MACLGIGHITTXKH-UHFFFAOYSA-N -1 3 316.788 4.017 20 0 DIADHM Fc1cc(F)c(F)c2nc(-c3n[nH]c4cc(Cl)ccc43)[n-]c21 ZINC001251692248 1061443325 /nfs/dbraw/zinc/44/33/25/1061443325.db2.gz DJMJGOVDMMUSAX-UHFFFAOYSA-N -1 3 322.677 4.177 20 0 DIADHM CCc1ccc(C(=O)NC[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC001464074172 1061554300 /nfs/dbraw/zinc/55/43/00/1061554300.db2.gz PEXDCUGVBPIRFV-SFHVURJKSA-N -1 3 311.425 4.124 20 0 DIADHM CC1=C(C)C[C@@H](C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC001464138163 1061557679 /nfs/dbraw/zinc/55/76/79/1061557679.db2.gz PEASABQCQMMFQW-NSHDSACASA-N -1 3 324.218 4.230 20 0 DIADHM O=C(NCC1CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001464107919 1061558420 /nfs/dbraw/zinc/55/84/20/1061558420.db2.gz WLSKDACDKRLSKX-UHFFFAOYSA-N -1 3 311.381 4.105 20 0 DIADHM CCCOc1cc(C)ccc1NC(=O)c1ccc(CC)cc1[O-] ZINC001464310865 1061574533 /nfs/dbraw/zinc/57/45/33/1061574533.db2.gz FNNNTSWQMPFGFE-UHFFFAOYSA-N -1 3 313.397 4.304 20 0 DIADHM Cc1nc(-c2ccc(NC(=O)c3c(C)cccc3[O-])cc2)oc1C ZINC001464370694 1061582735 /nfs/dbraw/zinc/58/27/35/1061582735.db2.gz HIUFWOBXYDPNJK-UHFFFAOYSA-N -1 3 322.364 4.225 20 0 DIADHM Cc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1[O-] ZINC001464483624 1061600828 /nfs/dbraw/zinc/60/08/28/1061600828.db2.gz GYVKKAWLZUCSMD-UHFFFAOYSA-N -1 3 313.397 4.378 20 0 DIADHM [O-]c1ccc(-c2nnc(-c3ccc(F)cc3)o2)c(C(F)(F)F)c1 ZINC001252261078 1061617690 /nfs/dbraw/zinc/61/76/90/1061617690.db2.gz ZJLOLSJPQHJJHB-UHFFFAOYSA-N -1 3 324.233 4.267 20 0 DIADHM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001464987719 1061659279 /nfs/dbraw/zinc/65/92/79/1061659279.db2.gz BCCVWYJSALSYAB-SFHVURJKSA-N -1 3 309.409 4.241 20 0 DIADHM CCc1cccc(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c1[O-] ZINC001465031054 1061665502 /nfs/dbraw/zinc/66/55/02/1061665502.db2.gz OYIINMIBECVHNF-UHFFFAOYSA-N -1 3 323.396 4.138 20 0 DIADHM [O-]c1cncc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)c1 ZINC001252572551 1061666349 /nfs/dbraw/zinc/66/63/49/1061666349.db2.gz MAXAVKOAOUODRC-UHFFFAOYSA-N -1 3 315.332 4.171 20 0 DIADHM Cc1cccc([C@@H](C)CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001465336307 1061736336 /nfs/dbraw/zinc/73/63/36/1061736336.db2.gz SBYRRHAMXNDGQF-HNNXBMFYSA-N -1 3 319.404 4.387 20 0 DIADHM Cc1cccc([O-])c1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001465350695 1061738541 /nfs/dbraw/zinc/73/85/41/1061738541.db2.gz LAERNKDTXFJIKC-UHFFFAOYSA-N -1 3 309.287 4.058 20 0 DIADHM CC(C)(C)c1ccc(-c2nnc(-c3cc(O)ccc3[O-])o2)cc1 ZINC001252844910 1061738868 /nfs/dbraw/zinc/73/88/68/1061738868.db2.gz OLPPEKCSOHLAOB-UHFFFAOYSA-N -1 3 310.353 4.112 20 0 DIADHM CCc1ccc(-c2nnc(-c3nc4cc(Cl)ccc4[n-]3)o2)cc1 ZINC001252957652 1061762385 /nfs/dbraw/zinc/76/23/85/1061762385.db2.gz MIIUGIOAJPJYNP-UHFFFAOYSA-N -1 3 324.771 4.496 20 0 DIADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001465528650 1061769169 /nfs/dbraw/zinc/76/91/69/1061769169.db2.gz WQYCQZQCFIDNSG-CRAIPNDOSA-N -1 3 323.436 4.244 20 0 DIADHM Cc1ccccc1-c1cnc([N-]C(=O)c2cc(Cl)no2)s1 ZINC001465580501 1061781427 /nfs/dbraw/zinc/78/14/27/1061781427.db2.gz NWTSIGICFOFMOV-UHFFFAOYSA-N -1 3 319.773 4.012 20 0 DIADHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c1 ZINC001465671066 1061791468 /nfs/dbraw/zinc/79/14/68/1061791468.db2.gz XBTJXXLLBXALDL-SMDDNHRTSA-N -1 3 307.459 4.059 20 0 DIADHM [O-]c1ccc(CNCc2cc(Cl)ccc2F)cc1Cl ZINC001474256442 1061822815 /nfs/dbraw/zinc/82/28/15/1061822815.db2.gz OZMHSQLGXIIACS-UHFFFAOYSA-N -1 3 300.160 4.128 20 0 DIADHM C/C(=C\C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1C ZINC001466258252 1061905667 /nfs/dbraw/zinc/90/56/67/1061905667.db2.gz SHEGQEOYPCGKNQ-FMIVXFBMSA-N -1 3 301.773 4.396 20 0 DIADHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc2cccc(O)c21 ZINC001466257357 1061907768 /nfs/dbraw/zinc/90/77/68/1061907768.db2.gz CDJSOHUCJAFGRQ-UHFFFAOYSA-N -1 3 313.740 4.157 20 0 DIADHM CCCCC[C@@H](O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001253543958 1061919774 /nfs/dbraw/zinc/91/97/74/1061919774.db2.gz GTURSGXYSHDFNB-SNVBAGLBSA-N -1 3 306.233 4.361 20 0 DIADHM Cc1cccc(-c2nnc(-c3c([O-])cc4ccccc4c3O)o2)c1 ZINC001253627738 1061940516 /nfs/dbraw/zinc/94/05/16/1061940516.db2.gz GVODPQAGFCPMKS-UHFFFAOYSA-N -1 3 318.332 4.276 20 0 DIADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccc(C)c(F)c1 ZINC001466448218 1061942710 /nfs/dbraw/zinc/94/27/10/1061942710.db2.gz ONIDSRULHMPLSV-MRXNPFEDSA-N -1 3 301.361 4.029 20 0 DIADHM CCc1c(Cl)cc(NC[C@@H](O)C(C)(C)C)c([O-])c1Cl ZINC001253736893 1061966933 /nfs/dbraw/zinc/96/69/33/1061966933.db2.gz WNLWBJVCZIPTSH-LLVKDONJSA-N -1 3 306.233 4.080 20 0 DIADHM C[C@@]1(c2ccccc2)CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001474357151 1061976412 /nfs/dbraw/zinc/97/64/12/1061976412.db2.gz BDUNCYQSLWFHGS-LJQANCHMSA-N -1 3 317.379 4.224 20 0 DIADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001466630848 1061977077 /nfs/dbraw/zinc/97/70/77/1061977077.db2.gz BPGNUVUVYSKKDU-QWHCGFSZSA-N -1 3 322.191 4.441 20 0 DIADHM CCc1cccc(C(=O)N2CCCC[C@H]2c2ccccc2)c1[O-] ZINC001466669440 1061983366 /nfs/dbraw/zinc/98/33/66/1061983366.db2.gz XQVYNELVTNSPPZ-SFHVURJKSA-N -1 3 309.409 4.322 20 0 DIADHM Cc1cc(=O)[n-]c([C@@H](C)SCCCCc2ccccc2)n1 ZINC001459040113 1061985849 /nfs/dbraw/zinc/98/58/49/1061985849.db2.gz SWRKCRURVSSPBE-CQSZACIVSA-N -1 3 302.443 4.308 20 0 DIADHM CCCCS(=O)(=O)[N-]c1ccc(C(C)C)cc1C(F)(F)F ZINC001253870955 1061996757 /nfs/dbraw/zinc/99/67/57/1061996757.db2.gz GJWHADAKJKXORO-UHFFFAOYSA-N -1 3 323.380 4.371 20 0 DIADHM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1ncccc1[O-] ZINC001466805472 1062008154 /nfs/dbraw/zinc/00/81/54/1062008154.db2.gz KLCBDQSYELTTNU-UHFFFAOYSA-N -1 3 312.394 4.179 20 0 DIADHM COc1ccc(C(=O)NC(C)(C)CC2CCCCCC2)c([O-])c1 ZINC001466940627 1062031545 /nfs/dbraw/zinc/03/15/45/1062031545.db2.gz ZTAGVGDTYLGCPW-UHFFFAOYSA-N -1 3 319.445 4.270 20 0 DIADHM [O-]c1ccc(Cl)c(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)c1 ZINC001254514578 1062156264 /nfs/dbraw/zinc/15/62/64/1062156264.db2.gz SZHJJZZGANOMLI-QWHCGFSZSA-N -1 3 312.756 4.367 20 0 DIADHM [O-]c1ccc(CNCC(F)(F)c2ccc(Cl)cc2)cc1F ZINC001474511992 1062195152 /nfs/dbraw/zinc/19/51/52/1062195152.db2.gz WCNJBGYCFDLLEP-UHFFFAOYSA-N -1 3 315.722 4.066 20 0 DIADHM Cc1c([O-])cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1F ZINC001254697937 1062237018 /nfs/dbraw/zinc/23/70/18/1062237018.db2.gz QDBZMBWMVRXKAJ-ZIAGYGMSSA-N -1 3 310.328 4.161 20 0 DIADHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001254786106 1062246885 /nfs/dbraw/zinc/24/68/85/1062246885.db2.gz DUWYYFFEBQMKQJ-UHFFFAOYSA-N -1 3 303.427 4.030 20 0 DIADHM CCCC[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001468427895 1062312769 /nfs/dbraw/zinc/31/27/69/1062312769.db2.gz DVVIYLFSXFPMPM-SECBINFHSA-N -1 3 314.223 4.228 20 0 DIADHM CCC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCCC1 ZINC001468235854 1062283101 /nfs/dbraw/zinc/28/31/01/1062283101.db2.gz AADNHNLAJFKRNN-UHFFFAOYSA-N -1 3 323.436 4.436 20 0 DIADHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccc(C2CCCC2)c1 ZINC001468311521 1062297568 /nfs/dbraw/zinc/29/75/68/1062297568.db2.gz ULCYQOHVEVGUKD-UHFFFAOYSA-N -1 3 321.380 4.178 20 0 DIADHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)cc1 ZINC001255085007 1062306286 /nfs/dbraw/zinc/30/62/86/1062306286.db2.gz LVOQLVDSPKTWDC-UHFFFAOYSA-N -1 3 323.845 4.320 20 0 DIADHM O=C(Cc1ccc(C2CCC2)cc1)Nc1c([O-])cccc1Cl ZINC001468457595 1062327093 /nfs/dbraw/zinc/32/70/93/1062327093.db2.gz SEJLNSMFPKRUTR-UHFFFAOYSA-N -1 3 315.800 4.494 20 0 DIADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC001468455147 1062329535 /nfs/dbraw/zinc/32/95/35/1062329535.db2.gz KFTXAVILPXHWFU-VIFPVBQESA-N -1 3 310.180 4.441 20 0 DIADHM O=C(NCC1=CCCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001468534631 1062341100 /nfs/dbraw/zinc/34/11/00/1062341100.db2.gz DADFZTKQLFXZHV-UHFFFAOYSA-N -1 3 323.392 4.415 20 0 DIADHM Cc1cccc([O-])c1-c1nnc(-c2ccc(Cl)cc2C)o1 ZINC001255346700 1062411533 /nfs/dbraw/zinc/41/15/33/1062411533.db2.gz JFHMEKFIFLOTGV-UHFFFAOYSA-N -1 3 300.745 4.379 20 0 DIADHM CCc1cccc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c1[O-] ZINC001468839513 1062419117 /nfs/dbraw/zinc/41/91/17/1062419117.db2.gz SLELRJKCKGJWAM-SFHVURJKSA-N -1 3 315.457 4.386 20 0 DIADHM CCc1cccc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c1[O-] ZINC001468874415 1062422936 /nfs/dbraw/zinc/42/29/36/1062422936.db2.gz YPTPIWLXOIDMGM-MJGOQNOKSA-N -1 3 323.436 4.363 20 0 DIADHM C[C@@]1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC=CCC1 ZINC001468905674 1062427886 /nfs/dbraw/zinc/42/78/86/1062427886.db2.gz AHXNCQYPDJYIJQ-OAQYLSRUSA-N -1 3 321.420 4.212 20 0 DIADHM [O-]c1cccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1Cl ZINC001474710069 1062436438 /nfs/dbraw/zinc/43/64/38/1062436438.db2.gz IETUZUIHLVIXBD-FZMZJTMJSA-N -1 3 319.754 4.210 20 0 DIADHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001474982868 1062485441 /nfs/dbraw/zinc/48/54/41/1062485441.db2.gz PWKGOZCYMGWZAC-UHFFFAOYSA-N -1 3 324.273 4.241 20 0 DIADHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001475052430 1062490379 /nfs/dbraw/zinc/49/03/79/1062490379.db2.gz XFGDHFPILACKKY-SNVBAGLBSA-N -1 3 309.884 4.039 20 0 DIADHM [O-]c1c(-c2nnc(C3CCOCC3)o2)cccc1-c1ccccc1 ZINC001255649489 1062498158 /nfs/dbraw/zinc/49/81/58/1062498158.db2.gz WLDYHGPAUZUDSS-UHFFFAOYSA-N -1 3 322.364 4.003 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3ccnc(Cl)c3c2)c1[O-] ZINC001469197408 1062500284 /nfs/dbraw/zinc/50/02/84/1062500284.db2.gz BLTZEYXDOJWPGA-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC001469211666 1062502797 /nfs/dbraw/zinc/50/27/97/1062502797.db2.gz BHPLCJFANVFFLP-UHFFFAOYSA-N -1 3 315.800 4.027 20 0 DIADHM CCCO[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001469426150 1062544840 /nfs/dbraw/zinc/54/48/40/1062544840.db2.gz PPADOFOXKDVNDT-UHFFFAOYSA-N -1 3 304.217 4.164 20 0 DIADHM [O-]c1cc2ccccc2cc1-c1nnc(Cc2ccccc2F)o1 ZINC001255776814 1062598867 /nfs/dbraw/zinc/59/88/67/1062598867.db2.gz SIOLYSOIAKMKIK-UHFFFAOYSA-N -1 3 320.323 4.325 20 0 DIADHM CSc1cccnc1[N-]C(=O)c1ccc(C(F)F)cc1F ZINC001469787492 1062627264 /nfs/dbraw/zinc/62/72/64/1062627264.db2.gz NZMWRWIYSLNSTM-UHFFFAOYSA-N -1 3 312.316 4.133 20 0 DIADHM CCCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(CC)cc1 ZINC001460117332 1062645012 /nfs/dbraw/zinc/64/50/12/1062645012.db2.gz DXUFCRBIZVCRMF-UHFFFAOYSA-N -1 3 311.429 4.039 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2CCSC)c1 ZINC001470970052 1062899063 /nfs/dbraw/zinc/89/90/63/1062899063.db2.gz MKPFDCRNULAUET-UHFFFAOYSA-N -1 3 315.438 4.112 20 0 DIADHM Cc1c([O-])cc(-c2nnc(CCC3CCCCC3)o2)cc1F ZINC001256854519 1063017545 /nfs/dbraw/zinc/01/75/45/1063017545.db2.gz LQJZTSGOIBIJRP-UHFFFAOYSA-N -1 3 304.365 4.403 20 0 DIADHM Cc1ccc(-c2nnc(-c3ccc(OC(C)C)cc3)o2)c([O-])c1 ZINC001256863875 1063024255 /nfs/dbraw/zinc/02/42/55/1063024255.db2.gz XNYGOXSOUSHBBA-UHFFFAOYSA-N -1 3 310.353 4.205 20 0 DIADHM CC(=O)c1ccc(C(=O)N(c2ccc(C)cc2)C2CCC2)cc1[O-] ZINC001471872067 1063025614 /nfs/dbraw/zinc/02/56/14/1063025614.db2.gz DIJCFQSRTWZDDA-UHFFFAOYSA-N -1 3 323.392 4.103 20 0 DIADHM Cc1cccc([O-])c1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC001471905592 1063031769 /nfs/dbraw/zinc/03/17/69/1063031769.db2.gz USBPYDYKEVLGNQ-UHFFFAOYSA-N -1 3 323.436 4.186 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)c([O-])c1 ZINC001472206371 1063060581 /nfs/dbraw/zinc/06/05/81/1063060581.db2.gz SANLWOJGLSCVSL-SFHVURJKSA-N -1 3 323.436 4.193 20 0 DIADHM CC(C)c1ccc(C(=O)N[C@@H]2CCCc3ccccc3C2)c([O-])c1 ZINC001472206370 1063060840 /nfs/dbraw/zinc/06/08/40/1063060840.db2.gz SANLWOJGLSCVSL-GOSISDBHSA-N -1 3 323.436 4.193 20 0 DIADHM O=C(Nc1cccnc1C1CC1)c1cc([O-])c2ccccc2c1 ZINC001472281196 1063067239 /nfs/dbraw/zinc/06/72/39/1063067239.db2.gz VPOUSVWWZUPHEF-UHFFFAOYSA-N -1 3 304.349 4.070 20 0 DIADHM CCc1cccc(C(=O)Nc2cc(-c3ccccc3)ns2)c1[O-] ZINC001472517723 1063093985 /nfs/dbraw/zinc/09/39/85/1063093985.db2.gz DDSOEOJJWZUKHZ-UHFFFAOYSA-N -1 3 324.405 4.330 20 0 DIADHM CC(C)=CCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001472526590 1063095861 /nfs/dbraw/zinc/09/58/61/1063095861.db2.gz OLXZDXUTFAGMKX-GFCCVEGCSA-N -1 3 316.405 4.084 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(Cc3ccc([O-])c(F)c3)o2)cc1 ZINC001257197708 1063133271 /nfs/dbraw/zinc/13/32/71/1063133271.db2.gz IHVGBBLSPBASJG-CABCVRRESA-N -1 3 324.355 4.085 20 0 DIADHM COc1cccc(-c2nnc([C@@H]3C[C@H]3c3ccc(C)cc3)o2)c1[O-] ZINC001257208711 1063136553 /nfs/dbraw/zinc/13/65/53/1063136553.db2.gz DIPWBACLLSZNOY-LSDHHAIUSA-N -1 3 322.364 4.030 20 0 DIADHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc(C)cc3[O-])o2)cc1 ZINC001257209514 1063140244 /nfs/dbraw/zinc/14/02/44/1063140244.db2.gz LIGZVYOWTRNXFX-CVEARBPZSA-N -1 3 306.365 4.330 20 0 DIADHM CC(C)CCc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC001461533608 1063563944 /nfs/dbraw/zinc/56/39/44/1063563944.db2.gz WNLUOHQRQADRIW-UHFFFAOYSA-N -1 3 315.851 4.094 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)c(C)c1 ZINC001259100686 1063881703 /nfs/dbraw/zinc/88/17/03/1063881703.db2.gz GLEZBVKCJUJQKK-UHFFFAOYSA-N -1 3 323.845 4.374 20 0 DIADHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)c(C)c1 ZINC001259103621 1063882869 /nfs/dbraw/zinc/88/28/69/1063882869.db2.gz PKLRSGYYVNVIGB-UHFFFAOYSA-N -1 3 315.438 4.290 20 0 DIADHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cccc2occc21 ZINC001259242203 1063884245 /nfs/dbraw/zinc/88/42/45/1063884245.db2.gz OOBRPJMBSMOVFP-UHFFFAOYSA-N -1 3 321.785 4.028 20 0 DIADHM Cc1cccc(CS(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC001259743354 1063893622 /nfs/dbraw/zinc/89/36/22/1063893622.db2.gz GSUNTCGEWKPYOD-UHFFFAOYSA-N -1 3 317.435 4.152 20 0 DIADHM Cn1c2ccc(C(F)(F)F)cc2nc1-c1ccc([O-])cc1F ZINC000389397192 1064127911 /nfs/dbraw/zinc/12/79/11/1064127911.db2.gz JZPYVSWQDIFCDH-UHFFFAOYSA-N -1 3 310.250 4.104 20 0 DIADHM CCc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c([O-])c1 ZINC001289973316 1064674999 /nfs/dbraw/zinc/67/49/99/1064674999.db2.gz JAWOXPHETAGOLT-UHFFFAOYSA-N -1 3 319.404 4.380 20 0 DIADHM O=C(c1cc2sccc2c([O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001290042821 1064676690 /nfs/dbraw/zinc/67/66/90/1064676690.db2.gz NQIQOVJWMPLLDR-CHWSQXEVSA-N -1 3 315.438 4.259 20 0 DIADHM CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC001290166321 1064684315 /nfs/dbraw/zinc/68/43/15/1064684315.db2.gz XSCWMWRACDNINZ-UHFFFAOYSA-N -1 3 309.287 4.226 20 0 DIADHM C[C@H]1C[C@H](CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)C[C@@H](C)C1 ZINC000652469938 1064685583 /nfs/dbraw/zinc/68/55/83/1064685583.db2.gz IPPDHLCGSAQQPD-PASDCYSWSA-N -1 3 315.457 4.133 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)c1[O-] ZINC001290639878 1064703729 /nfs/dbraw/zinc/70/37/29/1064703729.db2.gz GKLIISXSTCMQPS-SFHVURJKSA-N -1 3 309.409 4.240 20 0 DIADHM Cc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)cc1 ZINC001290642719 1064704097 /nfs/dbraw/zinc/70/40/97/1064704097.db2.gz WVHLSXMSOPBNPN-KRWDZBQOSA-N -1 3 315.800 4.331 20 0 DIADHM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c(C)cccc3[O-])C2)cc1 ZINC001292430503 1064774588 /nfs/dbraw/zinc/77/45/88/1064774588.db2.gz YBINMTAVQDENOG-SFHVURJKSA-N -1 3 323.436 4.104 20 0 DIADHM CCc1ccc(C(=O)N[C@H](C)CCC2CCCCC2)c([O-])c1 ZINC001293397826 1064812344 /nfs/dbraw/zinc/81/23/44/1064812344.db2.gz CWKUCIKZNRVYOZ-CQSZACIVSA-N -1 3 303.446 4.433 20 0 DIADHM CCc1cccc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c1[O-] ZINC001293447497 1064815685 /nfs/dbraw/zinc/81/56/85/1064815685.db2.gz FNBQUJDYKJEWOX-HNNXBMFYSA-N -1 3 303.446 4.243 20 0 DIADHM CCSc1cccc(NC(=O)c2ccc(CC)cc2[O-])c1 ZINC001293579590 1064821572 /nfs/dbraw/zinc/82/15/72/1064821572.db2.gz AYPJXIVVDXJZFR-UHFFFAOYSA-N -1 3 301.411 4.319 20 0 DIADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001294200559 1064854648 /nfs/dbraw/zinc/85/46/48/1064854648.db2.gz XSGWOWNNHYIJMN-OAHLLOKOSA-N -1 3 303.427 4.258 20 0 DIADHM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C)c([O-])c1 ZINC001294450493 1064868590 /nfs/dbraw/zinc/86/85/90/1064868590.db2.gz LHURPZVVUWIPJM-CQSZACIVSA-N -1 3 309.409 4.275 20 0 DIADHM O=C(N[C@H]1C=CCCC1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001294729333 1064882369 /nfs/dbraw/zinc/88/23/69/1064882369.db2.gz IGNCZXFRZCTZJM-AWEZNQCLSA-N -1 3 309.365 4.023 20 0 DIADHM Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)c([O-])c1 ZINC001295122973 1064901473 /nfs/dbraw/zinc/90/14/73/1064901473.db2.gz ADSKAUCSCVUOPN-HNNXBMFYSA-N -1 3 323.436 4.286 20 0 DIADHM CCc1ccc([O-])c(C(=O)Nc2cccc3ccc(O)cc32)c1 ZINC001295344127 1064909206 /nfs/dbraw/zinc/90/92/06/1064909206.db2.gz NYLLKJAEXPXGNO-UHFFFAOYSA-N -1 3 307.349 4.066 20 0 DIADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001295499718 1064915036 /nfs/dbraw/zinc/91/50/36/1064915036.db2.gz LSFJYYUZOQFBQX-JTQLQIEISA-N -1 3 324.207 4.498 20 0 DIADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001295673475 1064921480 /nfs/dbraw/zinc/92/14/80/1064921480.db2.gz GCWXNAHTQMVGND-YJBOKZPZSA-N -1 3 323.436 4.386 20 0 DIADHM Cc1ccc(C(=O)Nc2ccc(F)cc2OC(C)C)c([O-])c1C ZINC001295732520 1064926055 /nfs/dbraw/zinc/92/60/55/1064926055.db2.gz UFGDFULWYYXXOI-UHFFFAOYSA-N -1 3 317.360 4.188 20 0 DIADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])CCCc2ccccc21 ZINC001295972145 1064933464 /nfs/dbraw/zinc/93/34/64/1064933464.db2.gz MILWNDVONKHOSP-SFHVURJKSA-N -1 3 315.800 4.278 20 0 DIADHM C/C(=C/C(=O)Nc1ccc(Cl)cc1[O-])c1ccccc1C ZINC001295972441 1064934538 /nfs/dbraw/zinc/93/45/38/1064934538.db2.gz OLYMCJDNCHUZLH-XFXZXTDPSA-N -1 3 301.773 4.396 20 0 DIADHM CC(C)[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC001296233436 1064941070 /nfs/dbraw/zinc/94/10/70/1064941070.db2.gz BNPAZWSTTVAPKV-GOSISDBHSA-N -1 3 315.388 4.203 20 0 DIADHM O=C(CCCCc1ccc(Cl)cc1)[N-]OCCC(F)(F)F ZINC001296688043 1064954883 /nfs/dbraw/zinc/95/48/83/1064954883.db2.gz OVIPRZYKXSOZOT-UHFFFAOYSA-N -1 3 323.742 4.053 20 0 DIADHM COc1cccc(NC(=O)c2cc3sccc3c([O-])c2)c1F ZINC001296792633 1064961971 /nfs/dbraw/zinc/96/19/71/1064961971.db2.gz NKIWTPYLPOULMT-UHFFFAOYSA-N -1 3 317.341 4.007 20 0 DIADHM CSc1ccc([O-])c(C(=O)NCC[C@H](C)c2ccccc2)c1 ZINC001297071003 1064968396 /nfs/dbraw/zinc/96/83/96/1064968396.db2.gz KWDIDOYNXXSJKP-ZDUSSCGKSA-N -1 3 315.438 4.038 20 0 DIADHM CCC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC001298191228 1065000501 /nfs/dbraw/zinc/00/05/01/1065000501.db2.gz QIQPGKDMLZYKJE-UHFFFAOYSA-N -1 3 307.409 4.083 20 0 DIADHM Cc1c(Br)ccc([O-])c1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC001298513984 1065006952 /nfs/dbraw/zinc/00/69/52/1065006952.db2.gz QDZQNMRQMJTVIS-LZUGORFDSA-N -1 3 324.218 4.148 20 0 DIADHM CC[C@H](C)CO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001298607593 1065011058 /nfs/dbraw/zinc/01/10/58/1065011058.db2.gz YJGDVHXRWWJZQA-HNNXBMFYSA-N -1 3 319.445 4.035 20 0 DIADHM CC(=O)c1cccc(NC(=O)[C@H](C)CC2CCCCC2)c1[O-] ZINC001298744517 1065019520 /nfs/dbraw/zinc/01/95/20/1065019520.db2.gz LZACMFPXDDUOMI-GFCCVEGCSA-N -1 3 303.402 4.140 20 0 DIADHM CCCC[C@@H](CC)CCCN(C)C(=O)c1ccc(O)cc1[O-] ZINC001301082023 1065051307 /nfs/dbraw/zinc/05/13/07/1065051307.db2.gz VZNQXOVPYHUJOO-CQSZACIVSA-N -1 3 307.434 4.166 20 0 DIADHM CSc1ccc([O-])c(C(=O)N(C)[C@H](C)c2ccccc2C)c1 ZINC001301800325 1065072572 /nfs/dbraw/zinc/07/25/72/1065072572.db2.gz BNFVZCFRZAIXSK-CYBMUJFWSA-N -1 3 315.438 4.256 20 0 DIADHM Cc1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)c([O-])c1C ZINC001302492512 1065089200 /nfs/dbraw/zinc/08/92/00/1065089200.db2.gz CBWBEHIPGQURSS-UHFFFAOYSA-N -1 3 313.372 4.205 20 0 DIADHM O=C(Nc1ccc2c(n1)CCCC2)c1cc([O-])c2ccccc2c1 ZINC001303332031 1065113712 /nfs/dbraw/zinc/11/37/12/1065113712.db2.gz QNNUGPZZCMUANY-UHFFFAOYSA-N -1 3 318.376 4.072 20 0 DIADHM CCCCOc1ccc(C(=O)N[C@@H](C)C[C@@H](C)CC)c([O-])c1 ZINC001306653053 1065187622 /nfs/dbraw/zinc/18/76/22/1065187622.db2.gz XXVDNFYRTDHHBT-KBPBESRZSA-N -1 3 307.434 4.126 20 0 DIADHM Cc1cccc(C(=O)Nc2ccc3cccc(Cl)c3n2)c1[O-] ZINC001306818448 1065194008 /nfs/dbraw/zinc/19/40/08/1065194008.db2.gz CVXAWCFGKLOIRH-UHFFFAOYSA-N -1 3 312.756 4.155 20 0 DIADHM CCCCOc1ccc(C(=O)N(C)CCC(C)(C)C)c([O-])c1 ZINC001306862719 1065197533 /nfs/dbraw/zinc/19/75/33/1065197533.db2.gz DKGXCJBULYUSHY-UHFFFAOYSA-N -1 3 307.434 4.079 20 0 DIADHM CCC[C@H]1CCc2ccccc2N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001307556801 1065480327 /nfs/dbraw/zinc/48/03/27/1065480327.db2.gz HTCGAVYYOQDKEN-KRWDZBQOSA-N -1 3 323.440 4.181 20 0 DIADHM Cc1ccccc1[C@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001308719030 1066196838 /nfs/dbraw/zinc/19/68/38/1066196838.db2.gz VRZAUGQGSGHGTI-SFHVURJKSA-N -1 3 321.342 4.050 20 0 DIADHM [O-]c1cccc(CN2CC(C3CCCCC3)C2)c1Br ZINC001308808307 1066284462 /nfs/dbraw/zinc/28/44/62/1066284462.db2.gz UUIAXVHIAAFZMC-UHFFFAOYSA-N -1 3 324.262 4.167 20 0 DIADHM CC(C)(C)n1c2ccccc2nc1NCc1ccc([O-])c(F)c1 ZINC001308989731 1066435596 /nfs/dbraw/zinc/43/55/96/1066435596.db2.gz KACWHMFACHVMRF-UHFFFAOYSA-N -1 3 313.376 4.248 20 0 DIADHM