smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]c(C)c1[C@@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000067908634 939032133 /nfs/dbraw/zinc/03/21/33/939032133.db2.gz PXOOSDKNKQEONV-GOSISDBHSA-N -1 0 372.469 4.221 50 0 FIAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000950757275 939809718 /nfs/dbraw/zinc/80/97/18/939809718.db2.gz OBYJYJZZIQAIPM-UGSOOPFHSA-N -1 0 353.846 4.031 50 0 FIAARM CCOc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759347 958341128 /nfs/dbraw/zinc/34/11/28/958341128.db2.gz NINUBDBCCCGINF-OQLLNIDSSA-N -1 0 370.792 4.169 50 0 FIAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCS2 ZINC000888095836 1086765949 /nfs/dbraw/zinc/76/59/49/1086765949.db2.gz HQPHAUHEEVPYQP-UHFFFAOYSA-N -1 0 353.852 4.390 50 0 FIAARM O=C([O-])c1ccc2nc(/C=C/c3ccc(O)c(Br)c3)oc2c1 ZINC000328600098 1091796240 /nfs/dbraw/zinc/79/62/40/1091796240.db2.gz VQLGTSNOEXFHNB-QHHAFSJGSA-N -1 0 360.163 4.165 50 0 FIAARM COc1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1O ZINC000033530726 1122624157 /nfs/dbraw/zinc/62/41/57/1122624157.db2.gz FGUHLKIKZSYRIR-RAXLEYEMSA-N -1 0 355.415 4.416 50 0 FIAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001160237 219383999 /nfs/dbraw/zinc/38/39/99/219383999.db2.gz AEDNBNMEZWLFCN-LFYBBSHMSA-N -1 0 368.458 4.035 50 0 FIAARM Cc1c2ccc(OC/C=C/c3ccccc3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002149766 203917413 /nfs/dbraw/zinc/91/74/13/203917413.db2.gz PKFXSDUFDMDCIH-VMPITWQZSA-N -1 0 364.397 4.211 50 0 biogenic FIAARM O=C([O-])c1ccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)cc1 ZINC000002957864 203919542 /nfs/dbraw/zinc/91/95/42/203919542.db2.gz YBJIUHGQLDMPKY-UHFFFAOYSA-N -1 0 364.382 4.006 50 0 FIAARM O=C([O-])c1ccc(C=C(Cl)c2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000096792345 203928052 /nfs/dbraw/zinc/92/80/52/203928052.db2.gz KMFIBNFAFFEBAW-XYOKQWHBSA-N -1 0 372.833 4.321 50 0 FIAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000000990699 203969846 /nfs/dbraw/zinc/96/98/46/203969846.db2.gz GUGDCKFGAAQQSE-RTBURBONSA-N -1 0 351.402 4.393 50 0 FIAARM COc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000001447783 204008164 /nfs/dbraw/zinc/00/81/64/204008164.db2.gz UMCAPOWLZAOOER-UHFFFAOYSA-N -1 0 372.380 4.099 50 0 FIAARM CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576225 204011832 /nfs/dbraw/zinc/01/18/32/204011832.db2.gz QXVFEIPAZSXRGM-ORAYPTAESA-N -1 0 353.418 4.024 50 0 FIAARM C[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000002295008 204032483 /nfs/dbraw/zinc/03/24/83/204032483.db2.gz UCFGYCUDWCHFTK-LBPRGKRZSA-N -1 0 367.474 4.046 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000002291836 204032969 /nfs/dbraw/zinc/03/29/69/204032969.db2.gz YYMQBXWNLGHKDW-UHFFFAOYSA-N -1 0 364.445 4.376 50 0 FIAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000002905758 204065958 /nfs/dbraw/zinc/06/59/58/204065958.db2.gz NWVGJKRESSMIBY-QGOAFFKASA-N -1 0 373.836 4.374 50 0 FIAARM CCOc1ccc(OCCOc2ccc(/C=C/C(=O)[O-])cc2OCC)cc1 ZINC000003249570 204084086 /nfs/dbraw/zinc/08/40/86/204084086.db2.gz CBCFLDLFTDHVNP-WUXMJOGZSA-N -1 0 372.417 4.040 50 0 FIAARM O=S(=O)([N-]c1ncnc2scc(-c3ccccc3)c21)c1cccs1 ZINC000002659894 204051218 /nfs/dbraw/zinc/05/12/18/204051218.db2.gz XAAFJIKQDAVUPC-UHFFFAOYSA-N -1 0 373.484 4.221 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002737981 204054350 /nfs/dbraw/zinc/05/43/50/204054350.db2.gz HZCIMJLAYGKQHT-ZIAGYGMSSA-N -1 0 362.426 4.087 50 0 FIAARM O=C([O-])C[C@@H](c1cccc(Cl)c1Cl)N1Cc2ccccc2C1=O ZINC000003884314 204112463 /nfs/dbraw/zinc/11/24/63/204112463.db2.gz XKBSQSYLSYMRRD-AWEZNQCLSA-N -1 0 350.201 4.165 50 0 FIAARM CCc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000004175040 204126512 /nfs/dbraw/zinc/12/65/12/204126512.db2.gz XDFYXBFRCGDTLV-ZIAGYGMSSA-N -1 0 358.463 4.202 50 0 FIAARM CC(C)Cc1nc2sc3c([n-]cnc3=O)c2c2c1CSC(C)(C)C2 ZINC000004785862 204164592 /nfs/dbraw/zinc/16/45/92/204164592.db2.gz SQTPHIXPZYGGGY-UHFFFAOYSA-N -1 0 359.520 4.299 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000004241428 204128976 /nfs/dbraw/zinc/12/89/76/204128976.db2.gz MXRLDJPRHLSJSL-QAPCUYQASA-N -1 0 355.434 4.093 50 0 FIAARM O=c1cc([O-])c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4 ZINC000005491277 204211729 /nfs/dbraw/zinc/21/17/29/204211729.db2.gz LXXQBBPCDDVVTI-UHFFFAOYSA-N -1 0 354.456 4.451 50 0 FIAARM CC(C)Sc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000005625102 204218866 /nfs/dbraw/zinc/21/88/66/204218866.db2.gz OCBBEWIVHWIHKW-UHFFFAOYSA-N -1 0 366.490 4.365 50 0 aggregator FIAARM Cc1c(OCc2cccc(Cl)c2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000005100796 204192223 /nfs/dbraw/zinc/19/22/23/204192223.db2.gz FKSISFIMDLNAQG-UHFFFAOYSA-N -1 0 372.804 4.269 50 0 FIAARM O=C1Sc2ccc(S(=O)(=O)Nc3ccc(F)cc3)c3cccc1c23 ZINC000005234349 204199004 /nfs/dbraw/zinc/19/90/04/204199004.db2.gz APYCCIPIFXTXHR-UHFFFAOYSA-N -1 0 359.403 4.026 50 0 FIAARM CCCc1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000005904205 204229623 /nfs/dbraw/zinc/22/96/23/204229623.db2.gz LXCIVIWESVQFTH-UHFFFAOYSA-N -1 0 352.386 4.409 50 0 biogenic FIAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F ZINC000005884170 204230271 /nfs/dbraw/zinc/23/02/71/204230271.db2.gz TXPNHODIBCORCR-UHFFFAOYSA-N -1 0 369.723 4.179 50 0 FIAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)sc2c1 ZINC000005940150 204231021 /nfs/dbraw/zinc/23/10/21/204231021.db2.gz LQDFZYGLVZURFI-UHFFFAOYSA-N -1 0 362.476 4.229 50 0 FIAARM O=C([O-])CCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 ZINC000006257969 204242425 /nfs/dbraw/zinc/24/24/25/204242425.db2.gz ATZKDMQCTHONCB-UHFFFAOYSA-N -1 0 367.430 4.357 50 0 FIAARM O=C([O-])[C@@H]1CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000006344891 204245549 /nfs/dbraw/zinc/24/55/49/204245549.db2.gz JSVAQZVOHKGTJY-CABCVRRESA-N -1 0 365.429 4.169 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)on1 ZINC000007005492 204286359 /nfs/dbraw/zinc/28/63/59/204286359.db2.gz YQUFKOBCRPUXRZ-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000007052701 204288443 /nfs/dbraw/zinc/28/84/43/204288443.db2.gz URUJRDPDOOMCJQ-UHFFFAOYSA-N -1 0 366.689 4.273 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(Cl)c1Cl ZINC000007709457 204304079 /nfs/dbraw/zinc/30/40/79/204304079.db2.gz OAFWDMUQHLAILT-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000009059689 204353195 /nfs/dbraw/zinc/35/31/95/204353195.db2.gz MDNSHYJQDYTGHY-UHFFFAOYSA-N -1 0 360.461 4.239 50 0 FIAARM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cccc(C)c3)nc(=O)c12 ZINC000009112772 204354306 /nfs/dbraw/zinc/35/43/06/204354306.db2.gz VZFSNJFLCCKWDU-XFFZJAGNSA-N -1 0 360.822 4.037 50 0 FIAARM COC(=O)c1c(SCc2ccccc2)[n-]c2cc(Cl)ccc2c1=O ZINC000009300307 204361342 /nfs/dbraw/zinc/36/13/42/204361342.db2.gz SBFWPIXXQNRDGB-UHFFFAOYSA-N -1 0 359.834 4.260 50 0 FIAARM CC[C@]1(C)Cc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000008766585 204344626 /nfs/dbraw/zinc/34/46/26/204344626.db2.gz AFXOCKAAWCCLLF-LJQANCHMSA-N -1 0 372.515 4.410 50 0 FIAARM O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1cc(-c2ccccc2)on1 ZINC000036709534 204383126 /nfs/dbraw/zinc/38/31/26/204383126.db2.gz JGYTZJWCIHRZAS-UHFFFAOYSA-N -1 0 372.793 4.359 50 0 FIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)c2ccccc12 ZINC000031903997 204923366 /nfs/dbraw/zinc/92/33/66/204923366.db2.gz MWYXRGDHMDBMBG-UHFFFAOYSA-N -1 0 356.447 4.215 50 0 FIAARM COc1ccc(/C=C\C(=O)[O-])cc1COc1ccc(Br)cc1 ZINC000033332360 204965994 /nfs/dbraw/zinc/96/59/94/204965994.db2.gz WBZITOJZVUHBAP-OQFOIZHKSA-N -1 0 363.207 4.135 50 0 FIAARM O=C([O-])CC[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039778400 205048069 /nfs/dbraw/zinc/04/80/69/205048069.db2.gz IFUWGSCZSKIAIA-HNNXBMFYSA-N -1 0 365.429 4.265 50 0 FIAARM CC(C)C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040710651 205077309 /nfs/dbraw/zinc/07/73/09/205077309.db2.gz ONRQUNUKPSDFFF-HNNXBMFYSA-N -1 0 367.445 4.272 50 0 FIAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)c1ccccc1F ZINC000045967548 205127169 /nfs/dbraw/zinc/12/71/69/205127169.db2.gz XPBJBQJWRRHILI-UHFFFAOYSA-N -1 0 356.397 4.157 50 0 FIAARM Cc1cc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c(C)s1 ZINC000047089695 205141686 /nfs/dbraw/zinc/14/16/86/205141686.db2.gz OLRMTRIYKDUNNO-SECBINFHSA-N -1 0 359.476 4.167 50 0 FIAARM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053364 205130019 /nfs/dbraw/zinc/13/00/19/205130019.db2.gz XPGXBYPCDYQNHI-UHFFFAOYSA-N -1 0 360.413 4.274 50 0 FIAARM O=C([O-])[C@H]1CCCN1c1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000056979749 205234398 /nfs/dbraw/zinc/23/43/98/205234398.db2.gz VZFNXSLYHRQNPS-OAHLLOKOSA-N -1 0 359.385 4.096 50 0 FIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1cccnc1 ZINC000064797837 205306476 /nfs/dbraw/zinc/30/64/76/205306476.db2.gz YIAMXCLMTITZCQ-ZDUSSCGKSA-N -1 0 368.389 4.122 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1OC ZINC000064979419 205312396 /nfs/dbraw/zinc/31/23/96/205312396.db2.gz RKMQHACXBRYGRD-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)o1 ZINC000065003917 205314140 /nfs/dbraw/zinc/31/41/40/205314140.db2.gz TWSFVOQPXCVICB-UHFFFAOYSA-N -1 0 372.830 4.305 50 0 FIAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004541 205314799 /nfs/dbraw/zinc/31/47/99/205314799.db2.gz IJZIWQYVDKKRQL-UHFFFAOYSA-N -1 0 360.460 4.471 50 0 FIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031105 205315374 /nfs/dbraw/zinc/31/53/74/205315374.db2.gz TUFBZJGQVKBWCT-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM O=C([O-])c1cccnc1N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067843529 205396592 /nfs/dbraw/zinc/39/65/92/205396592.db2.gz NRYHLVMQIMLAPL-UHFFFAOYSA-N -1 0 371.396 4.151 50 0 FIAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414256 205536004 /nfs/dbraw/zinc/53/60/04/205536004.db2.gz NTIJYPXBBRJMJK-UHFFFAOYSA-N -1 0 370.474 4.476 50 0 FIAARM O=C([O-])c1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000096792176 205880732 /nfs/dbraw/zinc/88/07/32/205880732.db2.gz IXGWNLFZNWTOAQ-QINSGFPZSA-N -1 0 368.392 4.254 50 0 FIAARM O=C([O-])c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1 ZINC000002957866 206157300 /nfs/dbraw/zinc/15/73/00/206157300.db2.gz URQNIKFTQMJDKH-UHFFFAOYSA-N -1 0 364.382 4.006 50 0 FIAARM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000008769040 206218002 /nfs/dbraw/zinc/21/80/02/206218002.db2.gz OSZXEGLMFGZWQS-UHFFFAOYSA-N -1 0 357.369 4.180 50 0 FIAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012557198 206293110 /nfs/dbraw/zinc/29/31/10/206293110.db2.gz HPRKCBCXINIOST-UHFFFAOYSA-N -1 0 350.248 4.058 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OC(=O)c1cccc(Cl)c1 ZINC000216781966 206360957 /nfs/dbraw/zinc/36/09/57/206360957.db2.gz NIXCYTKWPJCLJR-UHFFFAOYSA-N -1 0 355.173 4.310 50 0 FIAARM CC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000046053346 136122008 /nfs/dbraw/zinc/12/20/08/136122008.db2.gz GEIAJNSIHMORAX-UHFFFAOYSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000064820480 136133826 /nfs/dbraw/zinc/13/38/26/136133826.db2.gz IVFPMGXIIVZFKD-CQSZACIVSA-N -1 0 352.434 4.182 50 0 FIAARM O=C([O-])[C@@]1(C/C=C/c2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071753564 136140290 /nfs/dbraw/zinc/14/02/90/136140290.db2.gz GMUJYRXAOISBOM-LNLBBOMNSA-N -1 0 373.456 4.405 50 0 FIAARM O=C([O-])c1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000245284433 568070597 /nfs/dbraw/zinc/07/05/97/568070597.db2.gz RVEFDAGYJKOHCQ-UHFFFAOYSA-N -1 0 356.381 4.091 50 0 FIAARM Cc1ccc(Cc2ccccc2C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000221385991 568402672 /nfs/dbraw/zinc/40/26/72/568402672.db2.gz ICDBYGYRHZWITR-IBGZPJMESA-N -1 0 351.446 4.055 50 0 FIAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000983153 570467697 /nfs/dbraw/zinc/46/76/97/570467697.db2.gz RUHHKEKACKMACR-UHFFFAOYSA-N -1 0 360.298 4.435 50 0 FIAARM O=c1nc[n-]c2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000001033664 570472861 /nfs/dbraw/zinc/47/28/61/570472861.db2.gz XORFIPIPEHWMLI-UHFFFAOYSA-N -1 0 356.410 4.262 50 0 FIAARM CC(=C([O-])c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001038940 570474013 /nfs/dbraw/zinc/47/40/13/570474013.db2.gz IVLIGSJHPSNMJY-NSHDSACASA-N -1 0 357.258 4.347 50 0 FIAARM C[C@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100435400 570504233 /nfs/dbraw/zinc/50/42/33/570504233.db2.gz MZXXNYMEGPHVHK-SNVBAGLBSA-N -1 0 361.264 4.057 50 0 FIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2)c1=O ZINC000100498423 570561963 /nfs/dbraw/zinc/56/19/63/570561963.db2.gz HKBVNQSEBKALLE-UHFFFAOYSA-N -1 0 350.418 4.150 50 0 FIAARM S=C1[N-][C@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013635988 570781702 /nfs/dbraw/zinc/78/17/02/570781702.db2.gz LZYZYGLFWUPFCS-APWZRJJASA-N -1 0 367.499 4.307 50 0 FIAARM O=c1c2cccc(F)c2[n-]cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015828977 570844557 /nfs/dbraw/zinc/84/45/57/570844557.db2.gz UWRWMRRIMALCEH-UHFFFAOYSA-N -1 0 372.204 4.219 50 0 FIAARM CCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000015837009 570845195 /nfs/dbraw/zinc/84/51/95/570845195.db2.gz RHGCCTDOGPUFRI-LWYYNNOASA-N -1 0 350.414 4.004 50 0 FIAARM Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000017075762 570867817 /nfs/dbraw/zinc/86/78/17/570867817.db2.gz ACJRXPNZKURQOV-UHFFFAOYSA-N -1 0 369.490 4.164 50 0 FIAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000018240905 570877163 /nfs/dbraw/zinc/87/71/63/570877163.db2.gz ULCQDXMQYHAVBK-UHFFFAOYSA-N -1 0 362.458 4.021 50 0 FIAARM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000035511548 571076749 /nfs/dbraw/zinc/07/67/49/571076749.db2.gz FVZCLFOTCVJMAU-INIZCTEOSA-N -1 0 371.396 4.236 50 0 FIAARM CCCCC(=O)Nc1ccc2nc(N3CCCCCC3)cc(C(=O)[O-])c2c1 ZINC000033010221 571098626 /nfs/dbraw/zinc/09/86/26/571098626.db2.gz CPZUNIWNNBQTJQ-UHFFFAOYSA-N -1 0 369.465 4.442 50 0 FIAARM CC[C@]1(C(=O)[O-])CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000213709997 571110330 /nfs/dbraw/zinc/11/03/30/571110330.db2.gz MCZKFDBPXUGEPJ-JOCHJYFZSA-N -1 0 365.429 4.265 50 0 FIAARM C[C@@H]([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000722982832 571122886 /nfs/dbraw/zinc/12/28/86/571122886.db2.gz OYBQZMFDYOVZDB-ZUOKHONESA-N -1 0 365.429 4.024 50 0 FIAARM C[C@H]([C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000722982830 571123106 /nfs/dbraw/zinc/12/31/06/571123106.db2.gz OYBQZMFDYOVZDB-RNODOKPDSA-N -1 0 365.429 4.024 50 0 FIAARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(F)cc2)cc1 ZINC000000980830 571141548 /nfs/dbraw/zinc/14/15/48/571141548.db2.gz RSKOBVHKLVMOAR-UHFFFAOYSA-N -1 0 366.392 4.004 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc2cccnc21 ZINC000001100860 571161132 /nfs/dbraw/zinc/16/11/32/571161132.db2.gz QWUDKLFWMVKUQT-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)s2)on1 ZINC000075435307 571178836 /nfs/dbraw/zinc/17/88/36/571178836.db2.gz WCGDTODOVVXNBV-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000023157693 571218946 /nfs/dbraw/zinc/21/89/46/571218946.db2.gz IPUKUSIGHIRCDO-AWEZNQCLSA-N -1 0 362.886 4.034 50 0 FIAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000013116875 571258250 /nfs/dbraw/zinc/25/82/50/571258250.db2.gz UYUSYLAFLUQAIS-ZRDIBKRKSA-N -1 0 352.415 4.241 50 0 FIAARM CC[C@@H](NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(=O)[O-] ZINC000236983345 571277113 /nfs/dbraw/zinc/27/71/13/571277113.db2.gz PJSXYUHUGKGNLR-OAHLLOKOSA-N -1 0 367.323 4.091 50 0 FIAARM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(Cl)cc1Cl ZINC000095457190 571330117 /nfs/dbraw/zinc/33/01/17/571330117.db2.gz UHNLJAUGDIDWAD-UHFFFAOYSA-N -1 0 369.632 4.290 50 0 FIAARM COc1cccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c1OC(F)F ZINC000096035426 571334123 /nfs/dbraw/zinc/33/41/23/571334123.db2.gz DVWSQYUNRUFTKS-CGXWXWIYSA-N -1 0 353.346 4.021 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000096323584 571335444 /nfs/dbraw/zinc/33/54/44/571335444.db2.gz HDOPUHXGOBXSHT-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000003043395 571343992 /nfs/dbraw/zinc/34/39/92/571343992.db2.gz VAIFJJKIQIBQFV-UHFFFAOYSA-N -1 0 355.850 4.436 50 0 FIAARM CCCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000003043534 571344019 /nfs/dbraw/zinc/34/40/19/571344019.db2.gz GVZKQGQXGXKXEX-UHFFFAOYSA-N -1 0 371.506 4.089 50 0 FIAARM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000033643710 1122816638 /nfs/dbraw/zinc/81/66/38/1122816638.db2.gz GXGTZVWKVFYSFS-LCYFTJDESA-N -1 0 355.415 4.329 50 0 FIAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000000644018 203937866 /nfs/dbraw/zinc/93/78/66/203937866.db2.gz VQGDULDLDDSDLN-UHFFFAOYSA-N -1 0 351.859 4.280 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])n2)c(C)c1 ZINC000001117316 203984390 /nfs/dbraw/zinc/98/43/90/203984390.db2.gz GQRCXXOFLDABNH-GJZGRUSLSA-N -1 0 356.447 4.032 50 0 FIAARM COc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)[O-])s1 ZINC000001424568 204005719 /nfs/dbraw/zinc/00/57/19/204005719.db2.gz BPHFVGILSVIXKW-UHFFFAOYSA-N -1 0 354.431 4.498 50 0 FIAARM CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000002898941 204065597 /nfs/dbraw/zinc/06/55/97/204065597.db2.gz LTWRZOGKHUBBHG-OZNFINNBSA-N -1 0 365.429 4.277 50 0 FIAARM COc1ccc(-c2cc(C)nc(S[C@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000003078703 204076553 /nfs/dbraw/zinc/07/65/53/204076553.db2.gz OAPBYYJLNHQZCG-SFHVURJKSA-N -1 0 366.442 4.379 50 0 FIAARM Cc1sc2ncnc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2c1C ZINC000002641767 204048848 /nfs/dbraw/zinc/04/88/48/204048848.db2.gz YSOZEESTJZKUGF-UHFFFAOYSA-N -1 0 369.471 4.262 50 0 FIAARM O=C([O-])CCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 ZINC000002647489 204049255 /nfs/dbraw/zinc/04/92/55/204049255.db2.gz RQIOWGBNWZZPPR-UHFFFAOYSA-N -1 0 352.415 4.280 50 0 FIAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)[O-])c2)C3=O)cc1 ZINC000002751220 204054589 /nfs/dbraw/zinc/05/45/89/204054589.db2.gz WHKAMSXCADAUDJ-UHFFFAOYSA-N -1 0 373.364 4.286 50 0 FIAARM CCc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000004179798 204126010 /nfs/dbraw/zinc/12/60/10/204126010.db2.gz CZLISFNNPUJHCS-WTTBNOFXSA-N -1 0 370.474 4.058 50 0 FIAARM CCc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000004175042 204126351 /nfs/dbraw/zinc/12/63/51/204126351.db2.gz XDFYXBFRCGDTLV-UONOGXRCSA-N -1 0 358.463 4.202 50 0 FIAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC000003635574 204109313 /nfs/dbraw/zinc/10/93/13/204109313.db2.gz JBGBOCOOARBZFX-UHFFFAOYSA-N -1 0 361.463 4.100 50 0 FIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000004679606 204154699 /nfs/dbraw/zinc/15/46/99/204154699.db2.gz KPJRGUKEBIZBJJ-UHFFFAOYSA-N -1 0 355.434 4.138 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000004241198 204128613 /nfs/dbraw/zinc/12/86/13/204128613.db2.gz BOEGKJLPJARVIT-NRFANRHFSA-N -1 0 361.482 4.381 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](Cc2csc3ccccc23)C[C@H]1C(=O)[O-] ZINC000004241529 204128989 /nfs/dbraw/zinc/12/89/89/204128989.db2.gz SWPWGMSSMXIDPT-DOMZBBRYSA-N -1 0 361.463 4.154 50 0 FIAARM O=S(=O)([N-]c1cccc(/C=C/c2ccccn2)c1)c1ccccc1F ZINC000005601563 204217699 /nfs/dbraw/zinc/21/76/99/204217699.db2.gz NTIYAFHLHNPUHW-VAWYXSNFSA-N -1 0 354.406 4.192 50 0 FIAARM O=c1c2cc(Br)ccc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000005827477 204227181 /nfs/dbraw/zinc/22/71/81/204227181.db2.gz PMDWFEQIGIZEKN-UHFFFAOYSA-N -1 0 365.296 4.338 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(F)c2)C1 ZINC000006947868 204284015 /nfs/dbraw/zinc/28/40/15/204284015.db2.gz MPFXSTBXNRRVKA-XNTDXEJSSA-N -1 0 362.404 4.448 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000007053409 204287913 /nfs/dbraw/zinc/28/79/13/204287913.db2.gz MZQMEPOZMPZWQJ-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM CCCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1 ZINC000006682005 204260845 /nfs/dbraw/zinc/26/08/45/204260845.db2.gz ZLSODSYYDRARIH-UHFFFAOYSA-N -1 0 373.456 4.242 50 0 FIAARM COc1ccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)cc1O ZINC000007911890 204309771 /nfs/dbraw/zinc/30/97/71/204309771.db2.gz JBULWNKDNXYVAH-SXGWCWSVSA-N -1 0 373.455 4.326 50 0 FIAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000008470386 204332176 /nfs/dbraw/zinc/33/21/76/204332176.db2.gz KBTQOTLUTNPDNE-UHFFFAOYSA-N -1 0 371.614 4.388 50 0 FIAARM Cc1c(Cl)cccc1Nc1nc(=O)c(Cc2ccc(Cl)cc2)n[n-]1 ZINC000008769990 204345005 /nfs/dbraw/zinc/34/50/05/204345005.db2.gz MMULQPSGSYDWCJ-UHFFFAOYSA-N -1 0 361.232 4.115 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000010516213 204398078 /nfs/dbraw/zinc/39/80/78/204398078.db2.gz NFIFZIBHTOZWLK-UHFFFAOYSA-N -1 0 360.460 4.243 50 0 FIAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000017075759 204648719 /nfs/dbraw/zinc/64/87/19/204648719.db2.gz RAXPFJZJINROEC-UHFFFAOYSA-N -1 0 369.490 4.164 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c2ccccc12 ZINC000035592618 204995377 /nfs/dbraw/zinc/99/53/77/204995377.db2.gz CULTVZADRZLAPL-UHFFFAOYSA-N -1 0 363.822 4.008 50 0 FIAARM Cc1oc(=O)c(-c2csc(-c3ccccc3)n2)c([O-])c1Br ZINC000038307509 205039516 /nfs/dbraw/zinc/03/95/16/205039516.db2.gz AVTNVJIVDPDDIU-UHFFFAOYSA-N -1 0 364.220 4.207 50 0 FIAARM CC(C)[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000036914689 205024026 /nfs/dbraw/zinc/02/40/26/205024026.db2.gz AWEZXIRZNQCCNN-OAQYLSRUSA-N -1 0 353.418 4.024 50 0 FIAARM CC(=O)Nc1c(C)ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1C ZINC000055151228 205208646 /nfs/dbraw/zinc/20/86/46/205208646.db2.gz LGJIUXLBAVKUKB-UHFFFAOYSA-N -1 0 360.454 4.016 50 0 FIAARM O=c1nc(COCC(F)(F)F)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000053851524 205196848 /nfs/dbraw/zinc/19/68/48/205196848.db2.gz PHQOAZTXONMGMF-UHFFFAOYSA-N -1 0 374.771 4.384 50 0 FIAARM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063809943 205294721 /nfs/dbraw/zinc/29/47/21/205294721.db2.gz YUQPUHUDGCDTKU-UHFFFAOYSA-N -1 0 373.865 4.314 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)s1 ZINC000065183515 205322263 /nfs/dbraw/zinc/32/22/63/205322263.db2.gz ZHJLXXOEZYCWDB-UHFFFAOYSA-N -1 0 363.508 4.245 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2cccc(CC)c2)c2cccnc21 ZINC000065242322 205328418 /nfs/dbraw/zinc/32/84/18/205328418.db2.gz HFHCNRJDMRWFEA-UHFFFAOYSA-N -1 0 357.479 4.200 50 0 FIAARM Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000071974095 205457429 /nfs/dbraw/zinc/45/74/29/205457429.db2.gz UCIOUBMXRNCOGO-UHFFFAOYSA-N -1 0 367.854 4.271 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000046053404 206080671 /nfs/dbraw/zinc/08/06/71/206080671.db2.gz RRCRZCDIMGVJBP-UHFFFAOYSA-N -1 0 352.434 4.326 50 0 FIAARM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237530856 206106361 /nfs/dbraw/zinc/10/63/61/206106361.db2.gz RYDMYMOBSRRONH-ZIAGYGMSSA-N -1 0 371.399 4.302 50 0 FIAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)cc2Cl ZINC000000944466 206142592 /nfs/dbraw/zinc/14/25/92/206142592.db2.gz HUWUMXHFBGBOBJ-UHFFFAOYSA-N -1 0 369.851 4.460 50 0 FIAARM Cc1cc(OCc2ccccc2Cl)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000005547156 206196116 /nfs/dbraw/zinc/19/61/16/206196116.db2.gz OFYACSJKCGPUOV-UHFFFAOYSA-N -1 0 372.804 4.269 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000642726 206223238 /nfs/dbraw/zinc/22/32/38/206223238.db2.gz DBOABFOJFKCSSI-PMACEKPBSA-N -1 0 351.446 4.106 50 0 FIAARM CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1 ZINC000001426372 206227265 /nfs/dbraw/zinc/22/72/65/206227265.db2.gz VPEJBPMMUJJQNF-UHFFFAOYSA-N -1 0 358.444 4.359 50 0 FIAARM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccc(Br)c1 ZINC000004724904 206238828 /nfs/dbraw/zinc/23/88/28/206238828.db2.gz ZBKRINIUKHJMPH-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1Br ZINC000012747099 206295093 /nfs/dbraw/zinc/29/50/93/206295093.db2.gz YBQCIZSYZDVKDO-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCC[C@H](C)C3)c(C(=O)[O-])c2)c1 ZINC000046053441 136122044 /nfs/dbraw/zinc/12/20/44/136122044.db2.gz KQRNLCWRRABIQH-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000064820478 136133818 /nfs/dbraw/zinc/13/38/18/136133818.db2.gz IVFPMGXIIVZFKD-AWEZNQCLSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1cc(C)nc([N-]c2noc(CSc3nc4ccccc4s3)n2)n1 ZINC000019819656 524593995 /nfs/dbraw/zinc/59/39/95/524593995.db2.gz TWGAPDQNVXNFLB-UHFFFAOYSA-N -1 0 370.463 4.122 50 0 FIAARM CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000095470880 568389237 /nfs/dbraw/zinc/38/92/37/568389237.db2.gz DKZTULROYOFUNS-XNTDXEJSSA-N -1 0 369.808 4.065 50 0 FIAARM O=C([O-])/C=C\c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000033333549 568494155 /nfs/dbraw/zinc/49/41/55/568494155.db2.gz JVHLPQYMIURJIF-DAXSKMNVSA-N -1 0 351.171 4.265 50 0 FIAARM O=S(=O)([N-]c1ccccc1-c1cccs1)c1cccnc1Cl ZINC000025453362 568558993 /nfs/dbraw/zinc/55/89/93/568558993.db2.gz YUSCQXBUQKUGJN-UHFFFAOYSA-N -1 0 350.852 4.264 50 0 FIAARM CCOc1ccc(NC(=O)Cc2cccc3c2cccc3S(=O)[O-])cc1 ZINC000000622235 570438706 /nfs/dbraw/zinc/43/87/06/570438706.db2.gz TZYGSQWJEPOJDM-UHFFFAOYSA-N -1 0 369.442 4.000 50 0 FIAARM CCOc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)[O-])cc1 ZINC000001088594 570479908 /nfs/dbraw/zinc/47/99/08/570479908.db2.gz AOVBKLOZAUDWCY-OXQOHEQNSA-N -1 0 369.461 4.220 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1 ZINC000001178639 570488862 /nfs/dbraw/zinc/48/88/62/570488862.db2.gz ZEWDTQBWFREIMX-UHFFFAOYSA-N -1 0 355.777 4.209 50 0 FIAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000098087007 570497778 /nfs/dbraw/zinc/49/77/78/570497778.db2.gz FWPONBLLNRWWPD-DHDCSXOGSA-N -1 0 373.817 4.275 50 0 FIAARM Cc1ccc(CSc2ncccc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000098211995 570498138 /nfs/dbraw/zinc/49/81/38/570498138.db2.gz MLTYSTJZRFEQHZ-UHFFFAOYSA-N -1 0 370.499 4.483 50 0 FIAARM Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013167909 570775196 /nfs/dbraw/zinc/77/51/96/570775196.db2.gz FMBZQHDMACYQHP-UHFFFAOYSA-N -1 0 356.765 4.254 50 0 FIAARM CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc21 ZINC000013253434 570775580 /nfs/dbraw/zinc/77/55/80/570775580.db2.gz LKDILFQDXLKRLR-SJORKVTESA-N -1 0 362.429 4.420 50 0 FIAARM C[C@](CC(=O)[O-])(C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000169975484 570776753 /nfs/dbraw/zinc/77/67/53/570776753.db2.gz UFTXLSPXWWFFND-LJQANCHMSA-N -1 0 360.479 4.108 50 0 FIAARM Nc1c(-c2ccccc2)c(Cc2ccccc2)nn1-c1ccc(C(=O)[O-])cc1 ZINC000017087067 570868640 /nfs/dbraw/zinc/86/86/40/570868640.db2.gz QNELVZMESDBGTP-UHFFFAOYSA-N -1 0 369.424 4.411 50 0 FIAARM COc1ccc(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)c(OC)c1 ZINC000019793887 570903348 /nfs/dbraw/zinc/90/33/48/570903348.db2.gz DLGFIWSGVGKFKU-UHFFFAOYSA-N -1 0 372.808 4.078 50 0 FIAARM CCc1ccc(-c2[nH]nc3nc(-c4ccccc4O)cc(C(=O)[O-])c32)cc1 ZINC000020492351 570918587 /nfs/dbraw/zinc/91/85/87/570918587.db2.gz RKTBNWBEQAUZHU-UHFFFAOYSA-N -1 0 359.385 4.258 50 0 FIAARM Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(F)cc2C)cc1 ZINC000022743735 570949239 /nfs/dbraw/zinc/94/92/39/570949239.db2.gz HHACDHXVQWAEOA-UHFFFAOYSA-N -1 0 356.426 4.002 50 0 FIAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2s1 ZINC000028248338 571028316 /nfs/dbraw/zinc/02/83/16/571028316.db2.gz WEOQHWDAQXBICC-UHFFFAOYSA-N -1 0 356.831 4.198 50 0 FIAARM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000035511549 571076860 /nfs/dbraw/zinc/07/68/60/571076860.db2.gz FVZCLFOTCVJMAU-MRXNPFEDSA-N -1 0 371.396 4.236 50 0 FIAARM O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc([O-])c(Cl)c1 ZINC000012755480 571077844 /nfs/dbraw/zinc/07/78/44/571077844.db2.gz ZUERXHRMMNTLTQ-UHFFFAOYSA-N -1 0 365.886 4.130 50 0 FIAARM O=C(Nc1ccc(F)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416041 571096961 /nfs/dbraw/zinc/09/69/61/571096961.db2.gz CRWJRIJDCDRVBJ-UHFFFAOYSA-N -1 0 374.371 4.088 50 0 FIAARM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237328024 571116795 /nfs/dbraw/zinc/11/67/95/571116795.db2.gz IDEGDHQDGNRKMQ-UONOGXRCSA-N -1 0 371.399 4.302 50 0 FIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O ZINC000100467122 571125827 /nfs/dbraw/zinc/12/58/27/571125827.db2.gz CLODMSNWJKAEQT-UHFFFAOYSA-N -1 0 364.445 4.458 50 0 FIAARM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000012851963 571128745 /nfs/dbraw/zinc/12/87/45/571128745.db2.gz XEYQQHWBVUPGNT-UHFFFAOYSA-N -1 0 366.244 4.039 50 0 FIAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000685939406 571142156 /nfs/dbraw/zinc/14/21/56/571142156.db2.gz UANUDZCGFPGAOS-LJQANCHMSA-N -1 0 365.429 4.026 50 0 FIAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000685939405 571142243 /nfs/dbraw/zinc/14/22/43/571142243.db2.gz UANUDZCGFPGAOS-IBGZPJMESA-N -1 0 365.429 4.026 50 0 FIAARM CC1(C)[C@@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001202217 571165867 /nfs/dbraw/zinc/16/58/67/571165867.db2.gz GZZDPQFSLBIZLI-BFUOFWGJSA-N -1 0 358.463 4.276 50 0 FIAARM COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[O-])cc1OC ZINC000071770887 571166327 /nfs/dbraw/zinc/16/63/27/571166327.db2.gz IKGPAIWGAQQPAE-UHFFFAOYSA-N -1 0 355.415 4.121 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012604617 571190498 /nfs/dbraw/zinc/19/04/98/571190498.db2.gz WZUZKKPRRYLIEN-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM CCOc1cc2cc(C(=O)c3cc(F)ccc3[O-])cnc2cc1OCC ZINC000012612124 571191265 /nfs/dbraw/zinc/19/12/65/571191265.db2.gz OOWJCXWKGOMYIC-UHFFFAOYSA-N -1 0 355.365 4.108 50 0 FIAARM O=C([O-])[C@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000080987590 571225421 /nfs/dbraw/zinc/22/54/21/571225421.db2.gz WVJOHQNQAXAVJQ-HXUWFJFHSA-N -1 0 365.429 4.265 50 0 FIAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Cl)cc2)c1=O ZINC000065215466 571256768 /nfs/dbraw/zinc/25/67/68/571256768.db2.gz YSLXLUOGRPLFAL-UHFFFAOYSA-N -1 0 362.838 4.084 50 0 FIAARM O=c1oc2ccccc2c([O-])c1-c1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000524732009 571258657 /nfs/dbraw/zinc/25/86/57/571258657.db2.gz SVDVIPSVXXEYEP-UHFFFAOYSA-N -1 0 370.364 4.186 50 0 biogenic FIAARM Cc1cc(-c2nc3cc4c(cc3c(C)c2CC(=O)[O-])OCO4)c(C)s1 ZINC000019413904 571326335 /nfs/dbraw/zinc/32/63/35/571326335.db2.gz ZFICJJFFHYQEMZ-UHFFFAOYSA-N -1 0 355.415 4.244 50 0 FIAARM COc1ccc(-c2c/c(=N\[C@H](C(=O)[O-])C(C)C)c3cc(C)ccc3o2)cc1 ZINC000019792888 571327306 /nfs/dbraw/zinc/32/73/06/571327306.db2.gz BQLGNVPBNNGMTD-XJQMLFBMSA-N -1 0 365.429 4.427 50 0 FIAARM O=C([O-])C/C(=C\c1cccc2c1OCCCO2)c1nc2ccccc2s1 ZINC000096401784 571335849 /nfs/dbraw/zinc/33/58/49/571335849.db2.gz DLMMKYFTTDAUJP-SDNWHVSQSA-N -1 0 367.426 4.473 50 0 FIAARM Cc1cc(C)c2c(C[P@](=O)([O-])CCc3ccccc3)cc(=O)oc2c1 ZINC000032124453 571356058 /nfs/dbraw/zinc/35/60/58/571356058.db2.gz OSEWFJMHTFLYOR-UHFFFAOYSA-N -1 0 356.358 4.423 50 0 biogenic FIAARM CCOC(=O)c1sc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C ZINC000254670270 1086345854 /nfs/dbraw/zinc/34/58/54/1086345854.db2.gz SLEGZDCZGSRFNO-UHFFFAOYSA-N -1 0 368.798 4.251 50 0 FIAARM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)c(Sc2ccccc2)c1 ZINC000431506510 1101734394 /nfs/dbraw/zinc/73/43/94/1101734394.db2.gz NWANFTLPZRUDOJ-UHFFFAOYSA-N -1 0 367.426 4.367 50 0 FIAARM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000000990701 203970233 /nfs/dbraw/zinc/97/02/33/203970233.db2.gz GUGDCKFGAAQQSE-MOPGFXCFSA-N -1 0 351.402 4.393 50 0 FIAARM CCOc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)[O-])cc1 ZINC000001088595 203982669 /nfs/dbraw/zinc/98/26/69/203982669.db2.gz AOVBKLOZAUDWCY-JXFKEZNVSA-N -1 0 369.461 4.220 50 0 FIAARM Cc1c2ccc(OCc3cccc4ccccc43)cc2oc(=O)c1CC(=O)[O-] ZINC000002092820 204026029 /nfs/dbraw/zinc/02/60/29/204026029.db2.gz LDXDJOSKMQCIOI-UHFFFAOYSA-N -1 0 374.392 4.461 50 0 biogenic FIAARM Cc1ccccc1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1 ZINC000002095128 204026535 /nfs/dbraw/zinc/02/65/35/204026535.db2.gz RYQWEVVGWBKNLY-UHFFFAOYSA-N -1 0 352.386 4.006 50 0 biogenic FIAARM Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(S(=O)(=O)[O-])c1 ZINC000002160267 204027198 /nfs/dbraw/zinc/02/71/98/204027198.db2.gz AMVUXCJNHUTBCG-UHFFFAOYSA-N -1 0 368.625 4.268 50 0 FIAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)c1 ZINC000002184355 204028321 /nfs/dbraw/zinc/02/83/21/204028321.db2.gz CKSRWJHOGMDXJT-DHDCSXOGSA-N -1 0 373.817 4.275 50 0 FIAARM O=C([O-])/C=C/c1ccccc1Oc1ccc(I)cc1 ZINC000002383827 204036378 /nfs/dbraw/zinc/03/63/78/204036378.db2.gz WSUWGRWJBWUZAC-BJMVGYQFSA-N -1 0 366.154 4.181 50 0 FIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1C ZINC000003329651 204092019 /nfs/dbraw/zinc/09/20/19/204092019.db2.gz XZAVFXHKHIWRDC-UHFFFAOYSA-N -1 0 355.406 4.322 50 0 FIAARM COc1ccc(-c2cc(C)nc(S[C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000003078704 204076925 /nfs/dbraw/zinc/07/69/25/204076925.db2.gz OAPBYYJLNHQZCG-GOSISDBHSA-N -1 0 366.442 4.379 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000002760883 204055687 /nfs/dbraw/zinc/05/56/87/204055687.db2.gz IALKDVQCLHQWAN-AWEZNQCLSA-N -1 0 355.434 4.397 50 0 FIAARM CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1 ZINC000002777915 204057081 /nfs/dbraw/zinc/05/70/81/204057081.db2.gz XNXUELOSQOEMNU-KBPBESRZSA-N -1 0 353.344 4.365 50 0 FIAARM CC[C@@H](C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004240279 204128301 /nfs/dbraw/zinc/12/83/01/204128301.db2.gz VHZUUIWBAYOCDD-JLTOFOAXSA-N -1 0 367.445 4.415 50 0 FIAARM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000003624674 204109572 /nfs/dbraw/zinc/10/95/72/204109572.db2.gz MYIWNIXDOMVDLE-UXHICEINSA-N -1 0 369.461 4.300 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000004598953 204149494 /nfs/dbraw/zinc/14/94/94/204149494.db2.gz FHSBIDGOYLEMNL-UXHICEINSA-N -1 0 367.445 4.138 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1 ZINC000004686128 204155637 /nfs/dbraw/zinc/15/56/37/204155637.db2.gz OZSVTRJKXXKNBO-LJQANCHMSA-N -1 0 371.408 4.093 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004241088 204128904 /nfs/dbraw/zinc/12/89/04/204128904.db2.gz RTAALXHRKJFITN-QGZVFWFLSA-N -1 0 374.264 4.390 50 0 FIAARM CCCCCc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)OC)cc1 ZINC000004297055 204131725 /nfs/dbraw/zinc/13/17/25/204131725.db2.gz XRIIPHUDXBKSHH-UHFFFAOYSA-N -1 0 367.492 4.068 50 0 FIAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000004334094 204133561 /nfs/dbraw/zinc/13/35/61/204133561.db2.gz XJGAERGPFUNACK-UHFFFAOYSA-N -1 0 368.311 4.086 50 0 FIAARM O=C([O-])C[C@H](NC(=O)Cc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000004482389 204141495 /nfs/dbraw/zinc/14/14/95/204141495.db2.gz OPPZRSXPWMXART-IBGZPJMESA-N -1 0 367.832 4.368 50 0 FIAARM CC(C)C(=O)NC([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000005293714 204201955 /nfs/dbraw/zinc/20/19/55/204201955.db2.gz XMZSOVGWRSJREA-UHFFFAOYSA-N -1 0 362.701 4.345 50 0 FIAARM O=C([O-])c1cc(NC(=O)CCCc2ccc(Cl)cc2Cl)ccc1O ZINC000006505533 204250570 /nfs/dbraw/zinc/25/05/70/204250570.db2.gz RMUWCIRYZWCHKE-UHFFFAOYSA-N -1 0 368.216 4.359 50 0 FIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006930194 204282513 /nfs/dbraw/zinc/28/25/13/204282513.db2.gz OPORMRUOMOCMDR-UHFFFAOYSA-N -1 0 370.474 4.165 50 0 FIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000006887713 204279474 /nfs/dbraw/zinc/27/94/74/204279474.db2.gz OKGGIQMEERKAQV-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1C(F)(F)F ZINC000007709434 204304833 /nfs/dbraw/zinc/30/48/33/204304833.db2.gz CDEDKRYDYBEARF-UHFFFAOYSA-N -1 0 352.337 4.054 50 0 FIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000007785605 204308064 /nfs/dbraw/zinc/30/80/64/204308064.db2.gz QNMOENZOULRNKS-UHFFFAOYSA-N -1 0 362.476 4.113 50 0 FIAARM CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000008106265 204317600 /nfs/dbraw/zinc/31/76/00/204317600.db2.gz GBBKYMGZHRLTSZ-AWEZNQCLSA-N -1 0 361.463 4.018 50 0 FIAARM O=c1nc[n-]c2c(-c3nc4ccccc4[nH]3)c(Nc3ccccc3)sc21 ZINC000008706571 204339873 /nfs/dbraw/zinc/33/98/73/204339873.db2.gz CBVLAZRZVZETGE-UHFFFAOYSA-N -1 0 359.414 4.272 50 0 FIAARM CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000013525256 204534477 /nfs/dbraw/zinc/53/44/77/204534477.db2.gz DJKDIKIDYDXHDD-IGUVKOCZSA-N -1 0 350.499 4.336 50 0 in-vitro FIAARM CC(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000014075383 204563131 /nfs/dbraw/zinc/56/31/31/204563131.db2.gz BZDOHRYCQXSWKI-LFIBNONCSA-N -1 0 360.413 4.162 50 0 FIAARM COc1ccc(/C(=C(/CC(=O)[O-])C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000019866072 204710841 /nfs/dbraw/zinc/71/08/41/204710841.db2.gz REVSEZGQGXRUCA-ZZEZOPTASA-N -1 0 368.429 4.314 50 0 FIAARM C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000036372174 205013971 /nfs/dbraw/zinc/01/39/71/205013971.db2.gz XDDNRKFJOAQYQX-VBKUAYQTSA-N -1 0 362.510 4.457 50 0 FIAARM COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000038198128 205040292 /nfs/dbraw/zinc/04/02/92/205040292.db2.gz BPQVIKMJNIHOPM-SEYXRHQNSA-N -1 0 361.397 4.437 50 0 FIAARM Cc1nc(-c2ccccc2)sc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000040268022 205064468 /nfs/dbraw/zinc/06/44/68/205064468.db2.gz OASTZQLORCUUTO-UHFFFAOYSA-N -1 0 372.490 4.274 50 0 FIAARM CC1(C)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)[O-] ZINC000044831666 205111738 /nfs/dbraw/zinc/11/17/38/205111738.db2.gz HXTFRGDUGKDRBV-IBGZPJMESA-N -1 0 365.429 4.121 50 0 FIAARM Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c(C)s1 ZINC000047089697 205142083 /nfs/dbraw/zinc/14/20/83/205142083.db2.gz OLRMTRIYKDUNNO-VIFPVBQESA-N -1 0 359.476 4.167 50 0 FIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)cc2Cl)c1=O ZINC000049409530 205172338 /nfs/dbraw/zinc/17/23/38/205172338.db2.gz VGMKCGAZZWFPDN-UHFFFAOYSA-N -1 0 362.838 4.003 50 0 FIAARM Cc1ccsc1CN(Cc1ccc(O)c(C(=O)[O-])c1)Cc1ccccn1 ZINC000055255216 205212546 /nfs/dbraw/zinc/21/25/46/205212546.db2.gz CSVKIGGAJFAFLK-UHFFFAOYSA-N -1 0 368.458 4.058 50 0 FIAARM COc1ccc(C(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000058064922 205249638 /nfs/dbraw/zinc/24/96/38/205249638.db2.gz DZQHHPLUVRZACV-UHFFFAOYSA-N -1 0 368.433 4.026 50 0 FIAARM Cc1ccc(C)c(OC2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)c1 ZINC000058208705 205259456 /nfs/dbraw/zinc/25/94/56/205259456.db2.gz NWVRFEWSCUKJII-UHFFFAOYSA-N -1 0 369.490 4.057 50 0 FIAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000063809240 205294348 /nfs/dbraw/zinc/29/43/48/205294348.db2.gz MLSADISHLXPMPC-INIZCTEOSA-N -1 0 369.421 4.114 50 0 FIAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246450 205328899 /nfs/dbraw/zinc/32/88/99/205328899.db2.gz PQIXGDNSCFZERU-UHFFFAOYSA-N -1 0 373.434 4.096 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1-c1ccno1 ZINC000064844955 205307772 /nfs/dbraw/zinc/30/77/72/205307772.db2.gz MWFJSFNJVHLRGH-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000064947026 205309535 /nfs/dbraw/zinc/30/95/35/205309535.db2.gz ZMUQOHKBRVNYLP-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064947279 205309999 /nfs/dbraw/zinc/30/99/99/205309999.db2.gz MMTVZHXHJLSDAJ-UHFFFAOYSA-N -1 0 373.453 4.046 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)o2)c1C ZINC000064958570 205310316 /nfs/dbraw/zinc/31/03/16/205310316.db2.gz YXOZRHSFTFKYPU-UHFFFAOYSA-N -1 0 360.435 4.476 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)o2)c1C ZINC000064958552 205310415 /nfs/dbraw/zinc/31/04/15/205310415.db2.gz PNXQTIXXCGFRDQ-UHFFFAOYSA-N -1 0 366.826 4.314 50 0 FIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000064979565 205312703 /nfs/dbraw/zinc/31/27/03/205312703.db2.gz IXSLCKVYOBSODX-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)s2)c1C ZINC000065031235 205315725 /nfs/dbraw/zinc/31/57/25/205315725.db2.gz ODBNFNDOSWDTOW-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031061 205315790 /nfs/dbraw/zinc/31/57/90/205315790.db2.gz WIIOKDFTLLWUTM-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)s2)c1C ZINC000065031199 205316137 /nfs/dbraw/zinc/31/61/37/205316137.db2.gz LCWUMZCHFDTJTQ-UHFFFAOYSA-N -1 0 370.402 4.099 50 0 FIAARM COc1cc(OC)cc(-c2nnc([N-]c3nc4ccc(F)cc4s3)o2)c1 ZINC000004137796 206171379 /nfs/dbraw/zinc/17/13/79/206171379.db2.gz PLVTWEWQUSVWOK-UHFFFAOYSA-N -1 0 372.381 4.246 50 0 FIAARM CCCCOc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC000008132490 206213472 /nfs/dbraw/zinc/21/34/72/206213472.db2.gz CFTPHIBGMGXTOD-UHFFFAOYSA-N -1 0 363.479 4.237 50 0 FIAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004649193 206237967 /nfs/dbraw/zinc/23/79/67/206237967.db2.gz OSXUWZRUCZLQBD-JTQLQIEISA-N -1 0 368.216 4.406 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c2ccccc12 ZINC000214077718 206343564 /nfs/dbraw/zinc/34/35/64/206343564.db2.gz FRGMMNYEFXQVRC-UHFFFAOYSA-N -1 0 364.426 4.197 50 0 FIAARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccco1 ZINC000001178333 132380691 /nfs/dbraw/zinc/38/06/91/132380691.db2.gz DNEOPHCCLCIPQW-KPKJPENVSA-N -1 0 367.213 4.258 50 0 FIAARM CC(C)COC(=O)N(C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000000792646 568234120 /nfs/dbraw/zinc/23/41/20/568234120.db2.gz BLPZFTZQFOPPGU-UHFFFAOYSA-N -1 0 373.293 4.228 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OC(=O)c1ccc(Cl)cc1 ZINC000220973160 568376627 /nfs/dbraw/zinc/37/66/27/568376627.db2.gz CFJBHVNBEZBSFK-UHFFFAOYSA-N -1 0 355.173 4.310 50 0 FIAARM Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Cl)ccc3[O-])cc12 ZINC000000984702 570467852 /nfs/dbraw/zinc/46/78/52/570467852.db2.gz ARIVSBNIOGOBJR-UHFFFAOYSA-N -1 0 363.804 4.319 50 0 aggregator FIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000001156793 570485241 /nfs/dbraw/zinc/48/52/41/570485241.db2.gz PCZSZNZZJJXIEF-UHFFFAOYSA-N -1 0 369.442 4.172 50 0 FIAARM O=C(N=C([O-])Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl ZINC000001226883 570495359 /nfs/dbraw/zinc/49/53/59/570495359.db2.gz WNUJZRAWMHIWGR-UHFFFAOYSA-N -1 0 350.416 4.012 50 0 FIAARM CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[n-]n2c1=O ZINC000101096457 570510395 /nfs/dbraw/zinc/51/03/95/570510395.db2.gz SYWUEWALWWPBAA-UHFFFAOYSA-N -1 0 355.747 4.233 50 0 FIAARM Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)c3cccc(C(F)(F)F)c3)c2c1 ZINC000002317392 570518780 /nfs/dbraw/zinc/51/87/80/570518780.db2.gz VTPMFAYGZCJPJZ-UHFFFAOYSA-N -1 0 362.307 4.446 50 0 FIAARM Cc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1C ZINC000100502598 570563247 /nfs/dbraw/zinc/56/32/47/570563247.db2.gz QWQOJGSHENBCAF-UHFFFAOYSA-N -1 0 370.474 4.299 50 0 FIAARM COc1ccc2cc([C@H](C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc2c1 ZINC000408525899 570566351 /nfs/dbraw/zinc/56/63/51/570566351.db2.gz IRENXIJVJLDGPV-HOTGVXAUSA-N -1 0 371.477 4.205 50 0 FIAARM [O-]c1c([C@@H](c2cccs2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852558 570694740 /nfs/dbraw/zinc/69/47/40/570694740.db2.gz BMEGZVWVNAWWJW-CYBMUJFWSA-N -1 0 372.475 4.003 50 0 FIAARM Cc1cc(C(=O)COc2ccc(CC(=O)[O-])cc2)c(C)n1CCC(C)C ZINC000013421151 570777484 /nfs/dbraw/zinc/77/74/84/570777484.db2.gz MFQZIOVGQOCHIA-UHFFFAOYSA-N -1 0 357.450 4.040 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OC)C1 ZINC000097993218 570798849 /nfs/dbraw/zinc/79/88/49/570798849.db2.gz JJEVRMKTRKEQHK-VBKFSLOCSA-N -1 0 374.440 4.318 50 0 FIAARM CCn1cc(Cn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cn1 ZINC000017075610 570867334 /nfs/dbraw/zinc/86/73/34/570867334.db2.gz JNRZEKMWJYYIPG-UHFFFAOYSA-N -1 0 368.487 4.052 50 0 FIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000024831566 570983386 /nfs/dbraw/zinc/98/33/86/570983386.db2.gz QYDKUINXHFUIHI-HNNXBMFYSA-N -1 0 355.463 4.187 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Oc1cccc(F)c1 ZINC000084026680 571066637 /nfs/dbraw/zinc/06/66/37/571066637.db2.gz JWWAPPUJUXQOGO-UHFFFAOYSA-N -1 0 362.382 4.024 50 0 FIAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000012416036 571096993 /nfs/dbraw/zinc/09/69/93/571096993.db2.gz VTVSFUJLMYVAJQ-UHFFFAOYSA-N -1 0 370.408 4.257 50 0 FIAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000035142344 571119715 /nfs/dbraw/zinc/11/97/15/571119715.db2.gz WPOZRAXLPOUEII-KSSFIOAISA-N -1 0 359.853 4.475 50 0 FIAARM O=C([O-])c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 ZINC000000943199 571135232 /nfs/dbraw/zinc/13/52/32/571135232.db2.gz POCRCPPVRGXSOR-UHFFFAOYSA-N -1 0 367.373 4.179 50 0 FIAARM CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001202218 571165765 /nfs/dbraw/zinc/16/57/65/571165765.db2.gz GZZDPQFSLBIZLI-YJYMSZOUSA-N -1 0 358.463 4.276 50 0 FIAARM CCC(=O)Nc1ccc(N2CC=C(c3ccccc3C)CC2)c(C(=O)[O-])c1 ZINC000035451274 571170567 /nfs/dbraw/zinc/17/05/67/571170567.db2.gz FUDVYYCRHRZZFN-UHFFFAOYSA-N -1 0 364.445 4.335 50 0 FIAARM O=C([O-])CC1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 ZINC000426728323 571236629 /nfs/dbraw/zinc/23/66/29/571236629.db2.gz TWMVLBMCIVLWKE-UHFFFAOYSA-N -1 0 351.446 4.112 50 0 FIAARM CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)[O-] ZINC000083643860 571277153 /nfs/dbraw/zinc/27/71/53/571277153.db2.gz KFMJYHYZOLYCNF-UHFFFAOYSA-N -1 0 367.445 4.415 50 0 FIAARM CC[C@H](C)c1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])on1 ZINC000170672504 571284950 /nfs/dbraw/zinc/28/49/50/571284950.db2.gz PIRCURLCIMRWPV-JTQLQIEISA-N -1 0 358.419 4.031 50 0 FIAARM O=C([O-])C1C[NH+](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000143565982 571309378 /nfs/dbraw/zinc/30/93/78/571309378.db2.gz WAAWETUDFSIYSD-UHFFFAOYSA-N -1 0 366.244 4.089 50 0 in-vitro FIAARM CC(C)(C)OC(=O)N=c1[nH]cc(Sc2cccc(C(=O)[O-])c2)s1 ZINC000149767535 571309382 /nfs/dbraw/zinc/30/93/82/571309382.db2.gz DDVGQFOLABFOCD-UHFFFAOYSA-N -1 0 352.437 4.340 50 0 FIAARM CCc1ccc(-c2[nH]nc3nc(-c4cccc(O)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492381 571329951 /nfs/dbraw/zinc/32/99/51/571329951.db2.gz UUKLFXLVHLDCOM-UHFFFAOYSA-N -1 0 359.385 4.258 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1 ZINC000021033095 571332265 /nfs/dbraw/zinc/33/22/65/571332265.db2.gz ZMMDJEQJPWHXTD-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(C(F)(F)F)cc2)ccc1O ZINC000095929458 571332272 /nfs/dbraw/zinc/33/22/72/571332272.db2.gz HJCOJNNEVQQLQF-UHFFFAOYSA-N -1 0 367.352 4.330 50 0 FIAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2ccco2)CC(=O)O1 ZINC000096115101 571334438 /nfs/dbraw/zinc/33/44/38/571334438.db2.gz PVSQTOIIUCMCGI-CYBMUJFWSA-N -1 0 374.348 4.200 50 0 biogenic FIAARM O=c1[nH][n-]c(C(F)(F)F)c1N=Nc1c(Cl)cc(Cl)cc1Cl ZINC000096592434 571336277 /nfs/dbraw/zinc/33/62/77/571336277.db2.gz RSVDTLXTCXXYSA-UHFFFAOYSA-N -1 0 359.522 4.303 50 0 FIAARM CCc1cc2c(=O)c(-n3cnc4ccccc43)c(C(F)(F)F)oc2cc1[O-] ZINC000096592253 571336317 /nfs/dbraw/zinc/33/63/17/571336317.db2.gz CZYWDQICUMBYDX-UHFFFAOYSA-N -1 0 374.318 4.419 50 0 FIAARM N#Cc1c([O-])c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O ZINC000101774126 1084117028 /nfs/dbraw/zinc/11/70/28/1084117028.db2.gz VETSDIJERJUOJL-CQSZACIVSA-N -1 0 360.394 4.062 50 0 FIAARM O=C([O-])c1ccc(CCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000262630036 1110096336 /nfs/dbraw/zinc/09/63/36/1110096336.db2.gz OFABQJQEGLHZSZ-UHFFFAOYSA-N -1 0 367.420 4.163 50 0 FIAARM Cc1ccc(NC(=S)NN=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000254700948 1119331101 /nfs/dbraw/zinc/33/11/01/1119331101.db2.gz KBSHBHNOGFHWMS-UHFFFAOYSA-N -1 0 354.262 4.328 50 0 FIAARM CC(C)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000096792799 203928254 /nfs/dbraw/zinc/92/82/54/203928254.db2.gz BZDOHRYCQXSWKI-WJDWOHSUSA-N -1 0 360.413 4.162 50 0 FIAARM COc1ccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1C ZINC000000955929 203967751 /nfs/dbraw/zinc/96/77/51/203967751.db2.gz JKAHVAHFZKSBFC-UHFFFAOYSA-N -1 0 356.403 4.275 50 0 FIAARM CCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1cccc(Cl)c1 ZINC000002461794 204040111 /nfs/dbraw/zinc/04/01/11/204040111.db2.gz QCRVZILSCZTZMT-UHFFFAOYSA-N -1 0 356.809 4.115 50 0 FIAARM CC(C)CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000001436368 204007503 /nfs/dbraw/zinc/00/75/03/204007503.db2.gz UHCGNLWGCMPUNK-LJQANCHMSA-N -1 0 355.434 4.057 50 0 FIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000002505744 204042371 /nfs/dbraw/zinc/04/23/71/204042371.db2.gz SHRZMJHRBQEGBC-GOSISDBHSA-N -1 0 355.434 4.264 50 0 FIAARM Cc1c2ccc(OCc3ccc(F)cc3)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002091796 204026425 /nfs/dbraw/zinc/02/64/25/204026425.db2.gz GUVRSTGRRZRWOL-UHFFFAOYSA-N -1 0 370.376 4.145 50 0 biogenic FIAARM Nc1cc(Cl)ccc1Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-] ZINC000002165088 204027553 /nfs/dbraw/zinc/02/75/53/204027553.db2.gz ZCKHWGHYJZSLKY-UHFFFAOYSA-N -1 0 368.625 4.268 50 0 FIAARM Cc1c2ccc(OCc3ccccc3Cl)c(C)c2oc(=O)c1CC(=O)[O-] ZINC000002335169 204034265 /nfs/dbraw/zinc/03/42/65/204034265.db2.gz HVWOBPROZPMZQD-UHFFFAOYSA-N -1 0 372.804 4.269 50 0 FIAARM CCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21 ZINC000002587676 204044974 /nfs/dbraw/zinc/04/49/74/204044974.db2.gz GEFRZFSCUVHZFK-UHFFFAOYSA-N -1 0 368.408 4.289 50 0 FIAARM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000003885969 204113549 /nfs/dbraw/zinc/11/35/49/204113549.db2.gz GZPWQYNLYYAAGZ-IJEWVQPXSA-N -1 0 350.480 4.481 50 0 FIAARM CCc1ccc(NC(=O)Cc2c3ccccc3n(CC)c2C(=O)[O-])cc1 ZINC000004116200 204121539 /nfs/dbraw/zinc/12/15/39/204121539.db2.gz FRVDREIUSLMEML-UHFFFAOYSA-N -1 0 350.418 4.103 50 0 FIAARM CCCN(C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-])c1cccc(C)c1 ZINC000004116220 204122561 /nfs/dbraw/zinc/12/25/61/204122561.db2.gz UVCONJGWOXCJHP-UHFFFAOYSA-N -1 0 364.445 4.171 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000004124273 204123220 /nfs/dbraw/zinc/12/32/20/204123220.db2.gz BHUNQJMULPCDTQ-BDAKNGLRSA-N -1 0 370.883 4.355 50 0 FIAARM O=S(=O)([N-]c1ncnc2scc(-c3ccccc3)c21)c1ccccc1 ZINC000003358585 204095265 /nfs/dbraw/zinc/09/52/65/204095265.db2.gz WDLRGGRBAUCLLR-UHFFFAOYSA-N -1 0 367.455 4.159 50 0 FIAARM O=[P@]([O-])(O[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 ZINC000004195031 204127830 /nfs/dbraw/zinc/12/78/30/204127830.db2.gz ONUIZSVRXOWIGP-ZDUSSCGKSA-N -1 0 350.660 4.471 50 0 FIAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698262 204156368 /nfs/dbraw/zinc/15/63/68/204156368.db2.gz JTMRLNZDPKUKND-JWEZACLISA-N -1 0 369.505 4.214 50 0 FIAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)C(=O)[O-])c1 ZINC000004719256 204158238 /nfs/dbraw/zinc/15/82/38/204158238.db2.gz DRNQCDRSQDXCCL-KSSFIOAISA-N -1 0 359.853 4.475 50 0 FIAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(-c3ccccc3)c2)cc1 ZINC000004776240 204163359 /nfs/dbraw/zinc/16/33/59/204163359.db2.gz YREZITALWDBKFY-UHFFFAOYSA-N -1 0 350.439 4.319 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000004241095 204128940 /nfs/dbraw/zinc/12/89/40/204128940.db2.gz WSEOQKALYMEIPL-QGZVFWFLSA-N -1 0 374.264 4.390 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601751 204216955 /nfs/dbraw/zinc/21/69/55/204216955.db2.gz RLPCUHYMYYSPSE-HZPDHXFCSA-N -1 0 370.474 4.341 50 0 FIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000004903232 204173931 /nfs/dbraw/zinc/17/39/31/204173931.db2.gz GOKDECLRUVZGJO-OLZOCXBDSA-N -1 0 356.249 4.057 50 0 FIAARM CC1(C)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000004951526 204179305 /nfs/dbraw/zinc/17/93/05/204179305.db2.gz MXGLQOFTKFXYIA-WBMJQRKESA-N -1 0 359.344 4.051 50 0 FIAARM Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000006029744 204234811 /nfs/dbraw/zinc/23/48/11/204234811.db2.gz OHOZSYSEGRUTPQ-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000006887738 204280022 /nfs/dbraw/zinc/28/00/22/204280022.db2.gz ZXPWGDZLAIKJLU-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000007055502 204288417 /nfs/dbraw/zinc/28/84/17/204288417.db2.gz DVHFNDSAKUJDHE-UHFFFAOYSA-N -1 0 354.269 4.373 50 0 FIAARM Cc1ccsc1/C=C1/CN(C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000007109753 204289656 /nfs/dbraw/zinc/28/96/56/204289656.db2.gz MSXIHHSHRIPLMZ-LCYFTJDESA-N -1 0 350.443 4.289 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000007343549 204295813 /nfs/dbraw/zinc/29/58/13/204295813.db2.gz FXAZVXWWBZROLL-UHFFFAOYSA-N -1 0 357.369 4.180 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000006887642 204279521 /nfs/dbraw/zinc/27/95/21/204279521.db2.gz YCKQPAOGZGHTQN-UHFFFAOYSA-N -1 0 370.474 4.246 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1SCc1ccccc1 ZINC000007709863 204304142 /nfs/dbraw/zinc/30/41/42/204304142.db2.gz DYQMNHFMCRPIAB-UHFFFAOYSA-N -1 0 374.487 4.385 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000008190098 204322439 /nfs/dbraw/zinc/32/24/39/204322439.db2.gz BQLUVVMUWHQLGQ-UHFFFAOYSA-N -1 0 358.353 4.445 50 0 FIAARM O=c1nc[n-]c2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000008419642 204330804 /nfs/dbraw/zinc/33/08/04/204330804.db2.gz HWUFLWUJVUBLPR-UHFFFAOYSA-N -1 0 353.350 4.280 50 0 FIAARM CCOc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)cn3)ccc2c1 ZINC000009063991 204353373 /nfs/dbraw/zinc/35/33/73/204353373.db2.gz WROYEMVFDYSJNH-UHFFFAOYSA-N -1 0 362.838 4.088 50 0 FIAARM CC(=O)Nc1ccc(/C=C/c2cc(C(=O)[O-])c3ccc(F)cc3n2)cc1 ZINC000031855804 204922133 /nfs/dbraw/zinc/92/21/33/204922133.db2.gz YDOQACQEMMBRMX-XBXARRHUSA-N -1 0 350.349 4.201 50 0 FIAARM CC(C)C[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000036914698 205023206 /nfs/dbraw/zinc/02/32/06/205023206.db2.gz LKQDQIGTIVQHMG-JOCHJYFZSA-N -1 0 367.445 4.415 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2)CC(=O)N3)cc1 ZINC000040309060 205023324 /nfs/dbraw/zinc/02/33/24/205023324.db2.gz DJSFLULJNZXIFS-INIZCTEOSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM CC[C@H](C)c1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783175 205098515 /nfs/dbraw/zinc/09/85/15/205098515.db2.gz WFEGKQDJVJBDSU-DZKIICNBSA-N -1 0 363.454 4.042 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000048304202 205156227 /nfs/dbraw/zinc/15/62/27/205156227.db2.gz YZJFLOKNMLOREE-UHFFFAOYSA-N -1 0 359.369 4.257 50 0 FIAARM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057494 205131916 /nfs/dbraw/zinc/13/19/16/205131916.db2.gz IHHOOKMFLCGUMP-GFCCVEGCSA-N -1 0 371.849 4.204 50 0 FIAARM O=C([O-])C/C(=C/c1cccc2c1OCCCO2)c1nc2ccccc2s1 ZINC000058382114 205274525 /nfs/dbraw/zinc/27/45/25/205274525.db2.gz DLMMKYFTTDAUJP-KAMYIIQDSA-N -1 0 367.426 4.473 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccccc2)cc1C ZINC000064757540 205304780 /nfs/dbraw/zinc/30/47/80/205304780.db2.gz ZOWGWXBTVVOFEX-UHFFFAOYSA-N -1 0 353.447 4.243 50 0 FIAARM Cc1cc(C)cc(Nc2ncccc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000064757477 205303985 /nfs/dbraw/zinc/30/39/85/205303985.db2.gz AUHNINZSVNFUHN-UHFFFAOYSA-N -1 0 353.447 4.243 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c1 ZINC000065246451 205328304 /nfs/dbraw/zinc/32/83/04/205328304.db2.gz MNKYZCQCECEYLI-UHFFFAOYSA-N -1 0 373.434 4.096 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)o2)c1C ZINC000064958558 205310222 /nfs/dbraw/zinc/31/02/22/205310222.db2.gz IDTVXEKHKLXPLF-UHFFFAOYSA-N -1 0 366.826 4.314 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)o2)on1 ZINC000064958463 205310334 /nfs/dbraw/zinc/31/03/34/205310334.db2.gz HQEFAQVCCDUZAT-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM CCCN(C(=O)Cc1c(C(=O)[O-])c(C)cn1CC)c1cccc(Cl)c1 ZINC000064980685 205313037 /nfs/dbraw/zinc/31/30/37/205313037.db2.gz ORTXITYJQOVXGC-UHFFFAOYSA-N -1 0 362.857 4.154 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004198 205314729 /nfs/dbraw/zinc/31/47/29/205314729.db2.gz BECWWRAIHWWVAR-UHFFFAOYSA-N -1 0 360.460 4.390 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(C)c(F)c2)s1 ZINC000065183522 205321625 /nfs/dbraw/zinc/32/16/25/205321625.db2.gz IMUDMJBDOBSICM-UHFFFAOYSA-N -1 0 367.471 4.076 50 0 FIAARM Cc1nsc2ncc(C(=O)Nc3ccc4sc(C(=O)[O-])cc4c3)cc12 ZINC000095970430 205800545 /nfs/dbraw/zinc/80/05/45/205800545.db2.gz CKQIOQVXTPKPAR-UHFFFAOYSA-N -1 0 369.427 4.165 50 0 FIAARM COc1ccc2c([O-])c(Oc3ccc(Br)cc3)c(=O)oc2c1 ZINC000005527380 206195177 /nfs/dbraw/zinc/19/51/77/206195177.db2.gz PFZDMEPJWILMNI-UHFFFAOYSA-N -1 0 363.163 4.062 50 0 biogenic FIAARM O=C([O-])C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004801816 206180542 /nfs/dbraw/zinc/18/05/42/206180542.db2.gz MLGXDUNJKHXECW-GFCCVEGCSA-N -1 0 352.217 4.266 50 0 FIAARM Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000007883992 206211909 /nfs/dbraw/zinc/21/19/09/206211909.db2.gz RIOBGVZRZLIRRM-NRFANRHFSA-N -1 0 372.424 4.460 50 0 FIAARM CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(C(=O)[O-])cc1 ZINC000005603454 206197814 /nfs/dbraw/zinc/19/78/14/206197814.db2.gz WRKKPQKKULXCOG-VXPUYCOJSA-N -1 0 354.431 4.176 50 0 FIAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008188470 206246073 /nfs/dbraw/zinc/24/60/73/206246073.db2.gz QIGBBNPNQKXNPG-UHFFFAOYSA-N -1 0 360.163 4.146 50 0 FIAARM CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000002662156 206229421 /nfs/dbraw/zinc/22/94/21/206229421.db2.gz UWTRDPBLLBVTKH-UHFFFAOYSA-N -1 0 351.427 4.357 50 0 FIAARM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000170607089 206273581 /nfs/dbraw/zinc/27/35/81/206273581.db2.gz DFNKPIZXMCPJND-JTQLQIEISA-N -1 0 359.378 4.145 50 0 FIAARM COc1cc(Cl)c(C)cc1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000020328416 206329628 /nfs/dbraw/zinc/32/96/28/206329628.db2.gz XDAZGCQPGYBVNM-UHFFFAOYSA-N -1 0 363.826 4.412 50 0 FIAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cccnc1Cl ZINC000022408493 206378557 /nfs/dbraw/zinc/37/85/57/206378557.db2.gz GVRIFWQIEHMUTI-UHFFFAOYSA-N -1 0 360.822 4.328 50 0 FIAARM [O-]c1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F ZINC000334163679 132267573 /nfs/dbraw/zinc/26/75/73/132267573.db2.gz YUYJEQHNWKQNBT-UHFFFAOYSA-N -1 0 368.383 4.236 50 0 in-vitro FIAARM CCOC(=O)Cc1sc([N-]c2nc(C)cc(C)n2)nc1-c1ccccc1 ZINC000020070466 520914166 /nfs/dbraw/zinc/91/41/66/520914166.db2.gz PAJOIOLSIGKSDH-UHFFFAOYSA-N -1 0 368.462 4.066 50 0 FIAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)c1 ZINC000095373959 570457200 /nfs/dbraw/zinc/45/72/00/570457200.db2.gz IFSDSSXLZQUUDS-AWEZNQCLSA-N -1 0 360.360 4.075 50 0 FIAARM O=c1c2c(-c3cccs3)cc(C(F)(F)F)[n-]c-2nn1-c1ccccc1 ZINC000000875848 570462365 /nfs/dbraw/zinc/46/23/65/570462365.db2.gz HBKFTTHHOCMZEG-UHFFFAOYSA-N -1 0 361.348 4.461 50 0 FIAARM COc1ccc2nc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000001183311 570489994 /nfs/dbraw/zinc/48/99/94/570489994.db2.gz WLWUAYLFFQBLSJ-UHFFFAOYSA-N -1 0 362.476 4.031 50 0 FIAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000005012948 570617944 /nfs/dbraw/zinc/61/79/44/570617944.db2.gz PGECIBNDMVQPHQ-SECBINFHSA-N -1 0 354.189 4.098 50 0 FIAARM Cc1nnc(COc2cc(C)ccc2C(C)C)n1-c1ccccc1C(=O)[O-] ZINC000012447329 570746495 /nfs/dbraw/zinc/74/64/95/570746495.db2.gz CVHNXERKCXZAQL-UHFFFAOYSA-N -1 0 365.433 4.285 50 0 FIAARM O=S(=O)([N-]c1nc2c(cc(F)cc2F)s1)c1cccc(Cl)c1 ZINC000013108854 570773947 /nfs/dbraw/zinc/77/39/47/570773947.db2.gz JUWJNLMKMVUHHV-UHFFFAOYSA-N -1 0 360.794 4.029 50 0 FIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000164531006 570774916 /nfs/dbraw/zinc/77/49/16/570774916.db2.gz LMAHJVGPSLPYBB-GOEBONIOSA-N -1 0 372.490 4.261 50 0 FIAARM CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc21 ZINC000013253438 570775615 /nfs/dbraw/zinc/77/56/15/570775615.db2.gz LKDILFQDXLKRLR-IAGOWNOFSA-N -1 0 362.429 4.420 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1F ZINC000014232960 570814506 /nfs/dbraw/zinc/81/45/06/570814506.db2.gz IQGNNGFORGLXNK-UHFFFAOYSA-N -1 0 369.723 4.020 50 0 FIAARM COc1ccc(OC)c(-n2c(=S)[n-]nc2[C@H]2C[C@H]2c2ccccc2)c1 ZINC000015987408 570848978 /nfs/dbraw/zinc/84/89/78/570848978.db2.gz NEBYJBFRHVAACI-GJZGRUSLSA-N -1 0 353.447 4.218 50 0 FIAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1Cl ZINC000069117573 571088539 /nfs/dbraw/zinc/08/85/39/571088539.db2.gz BBXPVASLOYZFJO-SECBINFHSA-N -1 0 359.838 4.142 50 0 FIAARM CCOc1ccccc1-c1noc(CSc2ccccc2C(=O)[O-])n1 ZINC000012812176 571113282 /nfs/dbraw/zinc/11/32/82/571113282.db2.gz BCZFRGNEEYKEQC-UHFFFAOYSA-N -1 0 356.403 4.126 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NC=C(C=O)c1nc2cc(Cl)ccc2o1 ZINC000206469162 571130837 /nfs/dbraw/zinc/13/08/37/571130837.db2.gz NWWRHJCVXQHXIS-WQLSENKSSA-N -1 0 356.765 4.140 50 0 FIAARM CCCOC(=O)c1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)cc1 ZINC000005892537 571167505 /nfs/dbraw/zinc/16/75/05/571167505.db2.gz AXIVRBVWPSOVKR-UHFFFAOYSA-N -1 0 354.358 4.166 50 0 biogenic FIAARM O=c1c2ccccc2[n-]c(=S)n1CCCc1nc2ccccc2s1 ZINC000012534433 571175502 /nfs/dbraw/zinc/17/55/02/571175502.db2.gz SCKWFJPQQGFMTD-UHFFFAOYSA-N -1 0 353.472 4.302 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)o2)n[nH]1 ZINC000075519089 571193412 /nfs/dbraw/zinc/19/34/12/571193412.db2.gz CCPGDJXEQNTTFX-UHFFFAOYSA-N -1 0 365.842 4.049 50 0 FIAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCCCC3)c([O-])n2n1 ZINC000023156917 571218797 /nfs/dbraw/zinc/21/87/97/571218797.db2.gz CJCQSWIOOXJXCI-CQSZACIVSA-N -1 0 362.886 4.034 50 0 FIAARM O=C(Nc1ccccc1O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011332362 571233239 /nfs/dbraw/zinc/23/32/39/571233239.db2.gz ILVHBOQYIRWQRE-UHFFFAOYSA-N -1 0 357.369 4.362 50 0 FIAARM O=C([O-])c1ccccc1OC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000086005721 571234330 /nfs/dbraw/zinc/23/43/30/571234330.db2.gz WKMBCZCFTJSQMN-UHFFFAOYSA-N -1 0 359.425 4.237 50 0 FIAARM O=C(c1c([O-])cc(F)cc1F)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000066044237 571289724 /nfs/dbraw/zinc/28/97/24/571289724.db2.gz HYMGRPCJVUESSE-UHFFFAOYSA-N -1 0 371.305 4.494 50 0 FIAARM CC(C)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000066050988 571289733 /nfs/dbraw/zinc/28/97/33/571289733.db2.gz YYQAUDPTGPJUAT-INIZCTEOSA-N -1 0 371.824 4.223 50 0 FIAARM CCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000002233609 571292588 /nfs/dbraw/zinc/29/25/88/571292588.db2.gz ZPEKDQDPKOMSKM-UHFFFAOYSA-N -1 0 361.195 4.311 50 0 FIAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000013358227 571323231 /nfs/dbraw/zinc/32/32/31/571323231.db2.gz LZWCWZIYBAOJKQ-UHFFFAOYSA-N -1 0 374.487 4.236 50 0 FIAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)[O-])c32)c1 ZINC000013363576 571323293 /nfs/dbraw/zinc/32/32/93/571323293.db2.gz WEWXURFOJVGJCZ-UHFFFAOYSA-N -1 0 359.385 4.307 50 0 FIAARM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cnc1Cl ZINC000079061438 571326826 /nfs/dbraw/zinc/32/68/26/571326826.db2.gz IZPJDGOFVXWNON-UHFFFAOYSA-N -1 0 368.739 4.002 50 0 FIAARM Cc1n[nH]c(C)c1[C@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C(=O)[O-] ZINC000067908632 939031896 /nfs/dbraw/zinc/03/18/96/939031896.db2.gz PXOOSDKNKQEONV-SFHVURJKSA-N -1 0 372.469 4.221 50 0 FIAARM CCc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759349 958340263 /nfs/dbraw/zinc/34/02/63/958340263.db2.gz MIBIQFWDBJFGNW-OQLLNIDSSA-N -1 0 354.793 4.333 50 0 FIAARM CCCN(C(=O)c1ccc(C(=O)[O-])c(C)n1)[C@H](C)c1cc2ccccc2o1 ZINC000262944345 1099752610 /nfs/dbraw/zinc/75/26/10/1099752610.db2.gz BTVMSIAJGOYRBM-CQSZACIVSA-N -1 0 366.417 4.448 50 0 FIAARM O=C([O-])c1ccc(Br)cc1NC(=O)CCC1CCCCC1 ZINC000001163274 219383963 /nfs/dbraw/zinc/38/39/63/219383963.db2.gz VQYNAVSCVBERIY-UHFFFAOYSA-N -1 0 354.244 4.446 50 0 FIAARM CC(C)(C)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000033401758 203930785 /nfs/dbraw/zinc/93/07/85/203930785.db2.gz WFQHGQHFDXVPQD-QINSGFPZSA-N -1 0 374.440 4.337 50 0 FIAARM Cc1c2ccc(OCc3ccc(Cl)cc3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002094126 204026684 /nfs/dbraw/zinc/02/66/84/204026684.db2.gz NUSVUTFCQWFVSL-UHFFFAOYSA-N -1 0 372.804 4.351 50 0 biogenic FIAARM CCCCN(CCCC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000003044674 204075351 /nfs/dbraw/zinc/07/53/51/204075351.db2.gz XOYRMUWEQPBCPQ-UHFFFAOYSA-N -1 0 367.467 4.030 50 0 FIAARM CCOc1ccc(C(=O)C[C@@H](C(=O)[O-])c2cn(C)c3ccccc23)cc1 ZINC000002549649 204044112 /nfs/dbraw/zinc/04/41/12/204044112.db2.gz MQKJFUNACPJMRQ-QGZVFWFLSA-N -1 0 351.402 4.018 50 0 FIAARM O=C([O-])CCCc1c2cc(Br)ccc2[nH]c1-c1ccccn1 ZINC000004227987 204128189 /nfs/dbraw/zinc/12/81/89/204128189.db2.gz SFJJNFVQAMLDIB-UHFFFAOYSA-N -1 0 359.223 4.400 50 0 FIAARM CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])cc1 ZINC000003465917 204102686 /nfs/dbraw/zinc/10/26/86/204102686.db2.gz XAWVBNUSDJQPGT-UHFFFAOYSA-N -1 0 354.793 4.410 50 0 FIAARM Cc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626822 204109255 /nfs/dbraw/zinc/10/92/55/204109255.db2.gz HXCFIEWDRGQDTR-LJQANCHMSA-N -1 0 369.461 4.004 50 0 FIAARM O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000004608417 204150895 /nfs/dbraw/zinc/15/08/95/204150895.db2.gz VYDFGTMLMVHWMD-UDWIEESQSA-N -1 0 367.408 4.023 50 0 FIAARM O=c1cc([O-])c2sc3nc(-c4ccco4)cc(C(F)(F)F)c3c2[nH]1 ZINC000004625765 204152019 /nfs/dbraw/zinc/15/20/19/204152019.db2.gz QTGHVIRGSWOTTH-UHFFFAOYSA-N -1 0 352.293 4.122 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 ZINC000004685914 204155290 /nfs/dbraw/zinc/15/52/90/204155290.db2.gz RGSSCFRAYSLOJW-ANCGMVAHSA-N -1 0 361.869 4.188 50 0 FIAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC000004825388 204166276 /nfs/dbraw/zinc/16/62/76/204166276.db2.gz BVNQTSPGNFZXRB-VIFPVBQESA-N -1 0 354.189 4.098 50 0 FIAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N1 ZINC000004548854 204145418 /nfs/dbraw/zinc/14/54/18/204145418.db2.gz AHQVXIRYGVICJX-UXHICEINSA-N -1 0 365.454 4.207 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601749 204217695 /nfs/dbraw/zinc/21/76/95/204217695.db2.gz RLPCUHYMYYSPSE-CVEARBPZSA-N -1 0 370.474 4.341 50 0 FIAARM CCOc1ccccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920403 204176701 /nfs/dbraw/zinc/17/67/01/204176701.db2.gz TUMLNYMOMGRQLE-UHFFFAOYSA-N -1 0 372.808 4.099 50 0 FIAARM Cc1ccc(C)c(N(C)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920527 204176972 /nfs/dbraw/zinc/17/69/72/204176972.db2.gz ZHDSIZIKSAEKSK-UHFFFAOYSA-N -1 0 370.836 4.342 50 0 FIAARM CC1=C(C)C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000005017674 204184950 /nfs/dbraw/zinc/18/49/50/204184950.db2.gz ZBXDILHDMKPLCT-PMACEKPBSA-N -1 0 363.457 4.339 50 0 FIAARM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2ccccc2Cl)cc1C ZINC000005128712 204192791 /nfs/dbraw/zinc/19/27/91/204192791.db2.gz UMPXNHGYSSHPIE-UHFFFAOYSA-N -1 0 372.881 4.130 50 0 FIAARM O=C([O-])C[C@@H](c1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C1=O ZINC000005776495 204224359 /nfs/dbraw/zinc/22/43/59/204224359.db2.gz KBURCUKVPGULRK-HNNXBMFYSA-N -1 0 350.201 4.165 50 0 FIAARM Cc1ccc(-c2csc3[n-]c(=S)n(C[C@@H]4CCCO4)c(=O)c23)cc1 ZINC000006506470 204251443 /nfs/dbraw/zinc/25/14/43/204251443.db2.gz OOORYHQKUKLTLM-ZDUSSCGKSA-N -1 0 358.488 4.275 50 0 FIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1 ZINC000006913943 204281141 /nfs/dbraw/zinc/28/11/41/204281141.db2.gz BAKZFTUJTNYSRB-UHFFFAOYSA-N -1 0 373.455 4.003 50 0 FIAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccccc2)n1 ZINC000006749006 204266251 /nfs/dbraw/zinc/26/62/51/204266251.db2.gz KWRJOYQLRYXXRB-UHFFFAOYSA-N -1 0 359.385 4.389 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000006887659 204279593 /nfs/dbraw/zinc/27/95/93/204279593.db2.gz VUMMGKJLWPYRBZ-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM C[C@H](OC(=O)c1cc(Cl)c([O-])c(Cl)c1)C(=O)N(C)C1CCCCC1 ZINC000007737863 204305490 /nfs/dbraw/zinc/30/54/90/204305490.db2.gz FNXQTMWVSVASME-JTQLQIEISA-N -1 0 374.264 4.035 50 0 FIAARM COC(=O)c1ccccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000007907432 204309849 /nfs/dbraw/zinc/30/98/49/204309849.db2.gz IVEOVZKZKXMZKV-JLHYYAGUSA-N -1 0 353.399 4.098 50 0 FIAARM Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)c1 ZINC000007881362 204309887 /nfs/dbraw/zinc/30/98/87/204309887.db2.gz AELIEVTZHBOVCP-HNNXBMFYSA-N -1 0 353.418 4.348 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000008185243 204320163 /nfs/dbraw/zinc/32/01/63/204320163.db2.gz OTIZTOTXJYQHDQ-UHFFFAOYSA-N -1 0 365.760 4.174 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)cc1 ZINC000008185052 204320958 /nfs/dbraw/zinc/32/09/58/204320958.db2.gz VKUHALXPWRJFHP-UHFFFAOYSA-N -1 0 358.419 4.193 50 0 FIAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1-c1ccccc1 ZINC000009015608 204351720 /nfs/dbraw/zinc/35/17/20/204351720.db2.gz QYMMWAHCVHXYHT-UHFFFAOYSA-N -1 0 360.373 4.205 50 0 FIAARM Cc1cccc(-c2nc3ccccc3c(Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000009012943 204352133 /nfs/dbraw/zinc/35/21/33/204352133.db2.gz GRHVGELKFLMPKV-UHFFFAOYSA-N -1 0 355.397 4.469 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)c1C ZINC000009686805 204378244 /nfs/dbraw/zinc/37/82/44/204378244.db2.gz RPJMBHOQPPBMKU-UHFFFAOYSA-N -1 0 365.455 4.003 50 0 FIAARM CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000009584769 204375179 /nfs/dbraw/zinc/37/51/79/204375179.db2.gz CBLFCPQXKKCJID-UHFFFAOYSA-N -1 0 354.406 4.012 50 0 FIAARM Cc1sc(NC(=O)C[C@@H](C)CC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000017073119 204647495 /nfs/dbraw/zinc/64/74/95/204647495.db2.gz NJIPBJZPBDLRKQ-SECBINFHSA-N -1 0 352.843 4.211 50 0 FIAARM COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3ccccc3)c21 ZINC000040313125 205028803 /nfs/dbraw/zinc/02/88/03/205028803.db2.gz SKLPYNHYIQLYBX-HNNXBMFYSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(F)c(F)c1F ZINC000040150885 205060292 /nfs/dbraw/zinc/06/02/92/205060292.db2.gz KISWNCJJXRPBHJ-UHFFFAOYSA-N -1 0 370.377 4.028 50 0 FIAARM CC[C@@H](C)c1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783174 205098397 /nfs/dbraw/zinc/09/83/97/205098397.db2.gz WFEGKQDJVJBDSU-YCPHGPKFSA-N -1 0 363.454 4.042 50 0 FIAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000044297868 205107955 /nfs/dbraw/zinc/10/79/55/205107955.db2.gz XBOKTKLCTPQDCO-QGZVFWFLSA-N -1 0 359.397 4.013 50 0 FIAARM COc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000045967592 205128162 /nfs/dbraw/zinc/12/81/62/205128162.db2.gz FWRHWJUHWLZPLB-UHFFFAOYSA-N -1 0 368.433 4.026 50 0 biogenic FIAARM CCCN(CCC)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053373 205130364 /nfs/dbraw/zinc/13/03/64/205130364.db2.gz XQKXUEQKYFHGCM-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057491 205131537 /nfs/dbraw/zinc/13/15/37/205131537.db2.gz IHHOOKMFLCGUMP-LBPRGKRZSA-N -1 0 371.849 4.204 50 0 FIAARM O=C([O-])C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC1 ZINC000085714665 205173993 /nfs/dbraw/zinc/17/39/93/205173993.db2.gz BYIAIMJBPMIGEE-UHFFFAOYSA-N -1 0 351.402 4.159 50 0 FIAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cc2ccccc2o1 ZINC000058145176 205250119 /nfs/dbraw/zinc/25/01/19/205250119.db2.gz SJDGYYJXTAHDEA-JTQLQIEISA-N -1 0 365.414 4.235 50 0 FIAARM CC(C)OCc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000063816071 205294619 /nfs/dbraw/zinc/29/46/19/205294619.db2.gz AOBHNEPWFZIECZ-UHFFFAOYSA-N -1 0 369.446 4.175 50 0 FIAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)C4CC4)c(C(=O)[O-])c3)C2)c1 ZINC000064589054 205302023 /nfs/dbraw/zinc/30/20/23/205302023.db2.gz LVGBMFGLHMKQGO-QGZVFWFLSA-N -1 0 364.445 4.036 50 0 FIAARM Cc1ccc2[nH]c(=O)c(-c3nc(-c4ccc(Cl)c(F)c4)no3)c([O-])c2c1 ZINC000065248670 205328252 /nfs/dbraw/zinc/32/82/52/205328252.db2.gz ADPIPGZSLKQFBA-UHFFFAOYSA-N -1 0 371.755 4.052 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c(C)c1 ZINC000065246412 205328846 /nfs/dbraw/zinc/32/88/46/205328846.db2.gz JUHBNFKSSNJHDS-UHFFFAOYSA-N -1 0 373.434 4.015 50 0 FIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000064837384 205305848 /nfs/dbraw/zinc/30/58/48/205305848.db2.gz MICCFJDVAFNDOM-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820558 205306052 /nfs/dbraw/zinc/30/60/52/205306052.db2.gz RPRFGSNRHSJPNB-UHFFFAOYSA-N -1 0 366.442 4.335 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1-c1ccno1 ZINC000064845213 205307133 /nfs/dbraw/zinc/30/71/33/205307133.db2.gz ZEAONLITYOILLR-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1ccno1 ZINC000064844999 205307288 /nfs/dbraw/zinc/30/72/88/205307288.db2.gz FZZRRCCQKHCSAL-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM Cc1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)c1 ZINC000065150560 205320796 /nfs/dbraw/zinc/32/07/96/205320796.db2.gz UVGSDXWDWCSXBM-UHFFFAOYSA-N -1 0 368.458 4.125 50 0 FIAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)Oc2ccccc2)[C@H]1c1ccccc1 ZINC000000885225 206138423 /nfs/dbraw/zinc/13/84/23/206138423.db2.gz IWZLOIAVWMAQKN-PHZLKFDYSA-N -1 0 372.420 4.490 50 0 FIAARM CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000955145 206142695 /nfs/dbraw/zinc/14/26/95/206142695.db2.gz RHQHDJRNHSPUHU-UHFFFAOYSA-N -1 0 364.401 4.416 50 0 FIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c(C)c1 ZINC000001115160 206145167 /nfs/dbraw/zinc/14/51/67/206145167.db2.gz UEEPSIQOCOBXEL-UHFFFAOYSA-N -1 0 365.524 4.312 50 0 FIAARM COc1cccc2sc([N-]c3nc4cc5c(cc4s3)OCO5)nc21 ZINC000004137808 206171466 /nfs/dbraw/zinc/17/14/66/206171466.db2.gz MJZDMCCLCPXIIR-UHFFFAOYSA-N -1 0 357.416 4.387 50 0 FIAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nc2ccc(Br)cc21 ZINC000004019314 206235384 /nfs/dbraw/zinc/23/53/84/206235384.db2.gz FFRGEBFVZFKLSD-UHFFFAOYSA-N -1 0 372.174 4.091 50 0 FIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000004241068 206236635 /nfs/dbraw/zinc/23/66/35/206236635.db2.gz MMCZTLOPEDASPR-SFHVURJKSA-N -1 0 371.433 4.306 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Cl)c1Cl ZINC000006441434 206241987 /nfs/dbraw/zinc/24/19/87/206241987.db2.gz BKDOXKVTZNSSTD-UHFFFAOYSA-N -1 0 368.188 4.081 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000011613855 206284544 /nfs/dbraw/zinc/28/45/44/206284544.db2.gz XURQMMXODUVZMY-UHFFFAOYSA-N -1 0 353.871 4.447 50 0 FIAARM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000020144291 206330863 /nfs/dbraw/zinc/33/08/63/206330863.db2.gz WBYAVQQVPDYNAY-UHFFFAOYSA-N -1 0 354.189 4.018 50 0 FIAARM CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058417323 221118376 /nfs/dbraw/zinc/11/83/76/221118376.db2.gz UZQSZRLXEKZOBN-UHFFFAOYSA-N -1 0 353.447 4.050 50 0 FIAARM CC1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000046053345 136121991 /nfs/dbraw/zinc/12/19/91/136121991.db2.gz VOTVIUSWDFTPEV-UHFFFAOYSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000064589197 136133413 /nfs/dbraw/zinc/13/34/13/136133413.db2.gz YYPKRJZEUGVMCP-UHFFFAOYSA-N -1 0 366.461 4.111 50 0 FIAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1 ZINC000064820516 136133797 /nfs/dbraw/zinc/13/37/97/136133797.db2.gz IJVGWCVLHNQGBQ-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)C1 ZINC000064820392 136133908 /nfs/dbraw/zinc/13/39/08/136133908.db2.gz AMXCFOTZCIHZSH-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)c1 ZINC000095373958 570457130 /nfs/dbraw/zinc/45/71/30/570457130.db2.gz IFSDSSXLZQUUDS-CQSZACIVSA-N -1 0 360.360 4.075 50 0 FIAARM CC1(C)CCCC2=C1C[C@H](C(=O)[O-])[C@@H](C(=O)N1CCc3ccccc31)C2 ZINC000000902593 570463059 /nfs/dbraw/zinc/46/30/59/570463059.db2.gz USTKQPQMUYZSCJ-IRXDYDNUSA-N -1 0 353.462 4.193 50 0 FIAARM CC1(C)CCCC2=C1C[C@@H](C(=O)[O-])[C@H](C(=O)N1CCc3ccccc31)C2 ZINC000000902592 570463249 /nfs/dbraw/zinc/46/32/49/570463249.db2.gz USTKQPQMUYZSCJ-IAGOWNOFSA-N -1 0 353.462 4.193 50 0 FIAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC000095528935 570469379 /nfs/dbraw/zinc/46/93/79/570469379.db2.gz VQOQMELIYSXZNT-GOSISDBHSA-N -1 0 363.413 4.264 50 0 FIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCSCc1ccc(C)cc1 ZINC000096193965 570479200 /nfs/dbraw/zinc/47/92/00/570479200.db2.gz PFYVFUORNHWNIP-CSKARUKUSA-N -1 0 358.459 4.414 50 0 FIAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)c1 ZINC000100479990 570504506 /nfs/dbraw/zinc/50/45/06/570504506.db2.gz GYQQGTADOBJKGA-UHFFFAOYSA-N -1 0 364.445 4.314 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1cccc(C)c1 ZINC000011827394 570708936 /nfs/dbraw/zinc/70/89/36/570708936.db2.gz UQYJKEJFLAIRPT-UHFFFAOYSA-N -1 0 365.223 4.433 50 0 FIAARM COc1cccc(-c2nc3ccccc3c(N3C[C@H](C)C[C@H](C)C3)n2)c1[O-] ZINC000017953151 570768317 /nfs/dbraw/zinc/76/83/17/570768317.db2.gz FXGZOASXLBHBHB-GASCZTMLSA-N -1 0 363.461 4.493 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013074164 570773293 /nfs/dbraw/zinc/77/32/93/570773293.db2.gz FYVZHTSKSYIISG-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])C(C)(C)C ZINC000202454773 570907586 /nfs/dbraw/zinc/90/75/86/570907586.db2.gz IMZRODMJJYKXHI-LJQANCHMSA-N -1 0 367.445 4.367 50 0 FIAARM O=c1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c[n-]c2ccccc21 ZINC000020715725 570923411 /nfs/dbraw/zinc/92/34/11/570923411.db2.gz UOSRGCFJBBOTJP-UHFFFAOYSA-N -1 0 357.291 4.264 50 0 FIAARM Cc1ccc(C(=O)Nc2c(Nc3ccccc3)[n-]n3c2nc(C)cc3=O)cc1 ZINC000112579827 570959097 /nfs/dbraw/zinc/95/90/97/570959097.db2.gz SVIBBSASOGZAEB-UHFFFAOYSA-N -1 0 373.416 4.048 50 0 FIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000024831563 570983336 /nfs/dbraw/zinc/98/33/36/570983336.db2.gz QYDKUINXHFUIHI-OAHLLOKOSA-N -1 0 355.463 4.187 50 0 FIAARM COc1ccc2c(C)nc([N-]c3nc(C)cc(-c4ccccc4)n3)nc2c1 ZINC000001296529 571048275 /nfs/dbraw/zinc/04/82/75/571048275.db2.gz KKIDVDCMZNLINU-UHFFFAOYSA-N -1 0 357.417 4.456 50 0 FIAARM Cc1noc(C(F)(F)F)c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000072307007 571064037 /nfs/dbraw/zinc/06/40/37/571064037.db2.gz WMXSEBRUPLNABL-UHFFFAOYSA-N -1 0 353.325 4.378 50 0 FIAARM Cc1nn(C)cc1[C@@H]1SC(C)=Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000071287139 571064223 /nfs/dbraw/zinc/06/42/23/571064223.db2.gz CFSRXABFQNVATE-INIZCTEOSA-N -1 0 359.499 4.412 50 0 FIAARM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237322515 571116759 /nfs/dbraw/zinc/11/67/59/571116759.db2.gz IDEGDHQDGNRKMQ-KBPBESRZSA-N -1 0 371.399 4.302 50 0 FIAARM C[C@H]([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000722982829 571123129 /nfs/dbraw/zinc/12/31/29/571123129.db2.gz OYBQZMFDYOVZDB-RBZFPXEDSA-N -1 0 365.429 4.024 50 0 FIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012928219 571146151 /nfs/dbraw/zinc/14/61/51/571146151.db2.gz DBIFTIQWPYDXGB-UHFFFAOYSA-N -1 0 365.760 4.348 50 0 FIAARM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)ccc1O ZINC000012931289 571147013 /nfs/dbraw/zinc/14/70/13/571147013.db2.gz FGGPPXFREBTITN-UHFFFAOYSA-N -1 0 372.621 4.219 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(=O)c2ccccc2)cc1 ZINC000001234474 571176826 /nfs/dbraw/zinc/17/68/26/571176826.db2.gz ATHPIAUXAAQVTO-UHFFFAOYSA-N -1 0 367.426 4.015 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)s2)n[nH]1 ZINC000075467615 571188241 /nfs/dbraw/zinc/18/82/41/571188241.db2.gz VUIYICLOHVDJQA-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM Cc1[nH]nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)c1C ZINC000075467695 571188353 /nfs/dbraw/zinc/18/83/53/571188353.db2.gz UWJBQFXHZZRKDR-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c2ccccc12 ZINC000072414280 571192323 /nfs/dbraw/zinc/19/23/23/571192323.db2.gz RIMSRUJQSWDBOV-UHFFFAOYSA-N -1 0 364.426 4.197 50 0 FIAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C(/C#N)C(=O)[O-] ZINC000071793188 571203561 /nfs/dbraw/zinc/20/35/61/571203561.db2.gz UUPKBOMKQZSMMP-WMZJFQQLSA-N -1 0 370.623 4.192 50 0 FIAARM CC(C)Oc1nc(N=NC(C(=O)[O-])c2ccccc2)c(Cl)cc1Cl ZINC000252603667 571204132 /nfs/dbraw/zinc/20/41/32/571204132.db2.gz FSWRSQSTKYKIBJ-UHFFFAOYSA-N -1 0 368.220 4.076 50 0 FIAARM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)cc1 ZINC000426440443 571225498 /nfs/dbraw/zinc/22/54/98/571225498.db2.gz YPEQKWPXHMVWRD-JTAQYXEDSA-N -1 0 363.457 4.106 50 0 FIAARM O=C([O-])C1(CC(=O)N[C@H](c2ccccn2)C2CCCC2)CCCCCC1 ZINC000170002904 571260676 /nfs/dbraw/zinc/26/06/76/571260676.db2.gz XIYLNSYWWLFSLM-IBGZPJMESA-N -1 0 358.482 4.244 50 0 FIAARM Cc1nc(=O)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2[nH]1 ZINC000166463617 571309361 /nfs/dbraw/zinc/30/93/61/571309361.db2.gz RSYBBLQMPBFPRA-UHFFFAOYSA-N -1 0 371.227 4.367 50 0 FIAARM CCC[C@H]1C=CCN1C(=O)c1ccc(-c2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC000584898792 571315952 /nfs/dbraw/zinc/31/59/52/571315952.db2.gz JUUNZEBBNXUHMC-SFHVURJKSA-N -1 0 364.445 4.244 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C ZINC000021032835 571332290 /nfs/dbraw/zinc/33/22/90/571332290.db2.gz FUIQKKGQVYSTJZ-UHFFFAOYSA-N -1 0 372.446 4.158 50 0 FIAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2ccco2)CC(=O)O1 ZINC000096115100 571334450 /nfs/dbraw/zinc/33/44/50/571334450.db2.gz PVSQTOIIUCMCGI-ZDUSSCGKSA-N -1 0 374.348 4.200 50 0 biogenic FIAARM COC(=O)c1c(-c2ccccc2)csc1[N-]S(=O)(=O)c1ccccc1 ZINC000096563992 571336192 /nfs/dbraw/zinc/33/61/92/571336192.db2.gz IZMLPHFQJPCYKD-UHFFFAOYSA-N -1 0 373.455 4.003 50 0 FIAARM CC(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043533 571344011 /nfs/dbraw/zinc/34/40/11/571344011.db2.gz GTEPOYMISUJSHO-UHFFFAOYSA-N -1 0 371.506 4.088 50 0 FIAARM O=C([O-])CCCCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000031820947 571353985 /nfs/dbraw/zinc/35/39/85/571353985.db2.gz BJYJDBAQJVAONH-UHFFFAOYSA-N -1 0 364.445 4.070 50 0 FIAARM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cccc(F)c3)nc(=O)c12 ZINC000096891399 958342333 /nfs/dbraw/zinc/34/23/33/958342333.db2.gz HMLZNVVPKFCZJS-UXBLZVDNSA-N -1 0 364.785 4.280 50 0 FIAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccncc3)C2)c(=O)o1 ZINC000022018180 1081063530 /nfs/dbraw/zinc/06/35/30/1081063530.db2.gz VNUINNZDRWNOEU-GOSISDBHSA-N -1 0 364.426 4.407 50 0 FIAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])c2ccccc12 ZINC000022589904 1082962553 /nfs/dbraw/zinc/96/25/53/1082962553.db2.gz BFJGQBNQTLPPFP-XMHGGMMESA-N -1 0 361.397 4.094 50 0 FIAARM Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2cc1C ZINC000178261551 1083030597 /nfs/dbraw/zinc/03/05/97/1083030597.db2.gz JCVQGYUEDIARLC-QGZVFWFLSA-N -1 0 374.440 4.065 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000254484552 1086318355 /nfs/dbraw/zinc/31/83/55/1086318355.db2.gz QJBMYETYWUVSEW-UHFFFAOYSA-N -1 0 372.787 4.117 50 0 FIAARM Cc1cc(NN=Cc2ccc(OCC(=O)[O-])cc2)nc2ccc(Cl)cc12 ZINC000254844202 1086378080 /nfs/dbraw/zinc/37/80/80/1086378080.db2.gz BVZGZOAVQUMTDH-UHFFFAOYSA-N -1 0 369.808 4.106 50 0 FIAARM O=C([O-])c1ccc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000263365256 1099783095 /nfs/dbraw/zinc/78/30/95/1099783095.db2.gz VVMICHCTDXQXLB-FQEVSTJZSA-N -1 0 362.429 4.162 50 0 FIAARM Cc1nn(CC(C)C)c(Cl)c1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000255028601 1114556982 /nfs/dbraw/zinc/55/69/82/1114556982.db2.gz NGJUWPWVGSNHAL-SREVYHEPSA-N -1 0 362.861 4.283 50 0 FIAARM O=C([O-])C/C(=C/c1ccc(-n2ccnc2)cc1)c1nc2ccccc2s1 ZINC000032717086 1121417972 /nfs/dbraw/zinc/41/79/72/1121417972.db2.gz LECZWVOPJSCEDP-PTNGSMBKSA-N -1 0 361.426 4.497 50 0 FIAARM Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)[O-] ZINC000001187691 219387891 /nfs/dbraw/zinc/38/78/91/219387891.db2.gz NJETWMYAEXGXPM-UHFFFAOYSA-N -1 0 355.703 4.075 50 0 FIAARM CCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1cc(C)ccc1C ZINC000000201599 203933171 /nfs/dbraw/zinc/93/31/71/203933171.db2.gz CKTZMGMKZTWNIQ-UHFFFAOYSA-N -1 0 350.418 4.079 50 0 FIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000000628762 203936265 /nfs/dbraw/zinc/93/62/65/203936265.db2.gz MMFRMJOFIZAVFB-UHFFFAOYSA-N -1 0 360.298 4.435 50 0 FIAARM CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000001059953 203978241 /nfs/dbraw/zinc/97/82/41/203978241.db2.gz JYEDIODOWULBCO-UHFFFAOYSA-N -1 0 354.406 4.012 50 0 FIAARM CC(C)c1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1COC(C)(C)C2 ZINC000002415252 204038793 /nfs/dbraw/zinc/03/87/93/204038793.db2.gz ZXLSVWGSRDHMEM-UHFFFAOYSA-N -1 0 361.492 4.170 50 0 FIAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)c3cccc1c23 ZINC000002184758 204028878 /nfs/dbraw/zinc/02/88/78/204028878.db2.gz RBFGDXMYZRFHMW-UHFFFAOYSA-N -1 0 374.421 4.360 50 0 FIAARM CC(C)CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000002291454 204032253 /nfs/dbraw/zinc/03/22/53/204032253.db2.gz AUYPJRWOMRAUMQ-UHFFFAOYSA-N -1 0 368.408 4.145 50 0 FIAARM O=C([O-])c1ccccc1C(=O)n1c(Cc2ccccc2)nc2ccccc21 ZINC000002293069 204033072 /nfs/dbraw/zinc/03/30/72/204033072.db2.gz DJUIYZCDYPGBPC-UHFFFAOYSA-N -1 0 356.381 4.014 50 0 FIAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000002882051 204066624 /nfs/dbraw/zinc/06/66/24/204066624.db2.gz YXPAAOVESZYQDF-UHFFFAOYSA-N -1 0 354.859 4.058 50 0 FIAARM O=S(=O)([O-])c1cccc(NNc2ccc(Nc3ccccc3)cc2)c1 ZINC000002911543 204067661 /nfs/dbraw/zinc/06/76/61/204067661.db2.gz QGEDDOSZYQFMIT-UHFFFAOYSA-N -1 0 355.419 4.116 50 0 FIAARM Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002976383 204071944 /nfs/dbraw/zinc/07/19/44/204071944.db2.gz QHHFOJMTUXHQGB-HXUWFJFHSA-N -1 0 364.397 4.185 50 0 FIAARM O=C(N/C(=C/c1ccccc1)[P@](=O)([O-])c1ccccc1)c1ccccc1 ZINC000003055178 204077189 /nfs/dbraw/zinc/07/71/89/204077189.db2.gz BONKWPZSKJDBKZ-SILNSSARSA-N -1 0 363.353 4.011 50 0 FIAARM COc1ccc(/C(=C(\CC(=O)[O-])C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000003132109 204079056 /nfs/dbraw/zinc/07/90/56/204079056.db2.gz REVSEZGQGXRUCA-CZIZESTLSA-N -1 0 368.429 4.314 50 0 FIAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2s1 ZINC000002636418 204047413 /nfs/dbraw/zinc/04/74/13/204047413.db2.gz BEFHMZPTHWJNNI-UHFFFAOYSA-N -1 0 372.393 4.424 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002767466 204055378 /nfs/dbraw/zinc/05/53/78/204055378.db2.gz NUNMZPXTDKBXAC-OLZOCXBDSA-N -1 0 362.838 4.069 50 0 FIAARM Cc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000002838252 204061139 /nfs/dbraw/zinc/06/11/39/204061139.db2.gz DPEDHHUCFLLOPR-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000004163712 204124665 /nfs/dbraw/zinc/12/46/65/204124665.db2.gz WIMYBKKSJCKPOW-GHMZBOCLSA-N -1 0 362.838 4.069 50 0 FIAARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004145953 204125322 /nfs/dbraw/zinc/12/53/22/204125322.db2.gz AXTBCZLYJIIKIY-AWEZNQCLSA-N -1 0 371.742 4.497 50 0 FIAARM CCc1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000004179800 204126489 /nfs/dbraw/zinc/12/64/89/204126489.db2.gz CZLISFNNPUJHCS-OHFALNGGSA-N -1 0 370.474 4.058 50 0 FIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000003623688 204109678 /nfs/dbraw/zinc/10/96/78/204109678.db2.gz HZBPDBPQYSPRDM-IBGZPJMESA-N -1 0 355.434 4.038 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1F)c1ccc(OC2CCCC2)cc1 ZINC000004653997 204151351 /nfs/dbraw/zinc/15/13/51/204151351.db2.gz WUYMJOMTNBSLDS-LJQANCHMSA-N -1 0 371.408 4.093 50 0 FIAARM CCCCCCOc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000004654008 204152051 /nfs/dbraw/zinc/15/20/51/204152051.db2.gz IODUCBMOEMIBBE-UHFFFAOYSA-N -1 0 367.401 4.145 50 0 FIAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000004809526 204163677 /nfs/dbraw/zinc/16/36/77/204163677.db2.gz PCAFHAYPJDSPDS-UHFFFAOYSA-N -1 0 357.884 4.261 50 0 FIAARM Cc1ccc(N(C)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1C ZINC000004920511 204177461 /nfs/dbraw/zinc/17/74/61/204177461.db2.gz QOZZFNBDAFZGBK-UHFFFAOYSA-N -1 0 370.836 4.342 50 0 FIAARM CC(=O)Nc1ccc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000005063778 204189361 /nfs/dbraw/zinc/18/93/61/204189361.db2.gz DQJCRVNXDFEQIJ-UHFFFAOYSA-N -1 0 353.403 4.210 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005093729 204191851 /nfs/dbraw/zinc/19/18/51/204191851.db2.gz HHEMGGFHWUTMJO-RTWAWAEBSA-N -1 0 365.473 4.216 50 0 FIAARM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCCO3)c(O)c1 ZINC000005235513 204198730 /nfs/dbraw/zinc/19/87/30/204198730.db2.gz YDVWFSPNVZZYGW-UHFFFAOYSA-N -1 0 366.417 4.318 50 0 FIAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005904262 204229602 /nfs/dbraw/zinc/22/96/02/204229602.db2.gz XIPGJLJFVKPWQP-UHFFFAOYSA-N -1 0 352.386 4.198 50 0 biogenic FIAARM CC1(C)Cc2c(sc3[n-]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000006241286 204241607 /nfs/dbraw/zinc/24/16/07/204241607.db2.gz LMUKCFTVLCYAGB-UHFFFAOYSA-N -1 0 372.515 4.215 50 0 FIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000006639250 204257731 /nfs/dbraw/zinc/25/77/31/204257731.db2.gz XGMBHSKUWVPIAT-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007056192 204288527 /nfs/dbraw/zinc/28/85/27/204288527.db2.gz AXMDGMVRUIXQNS-UHFFFAOYSA-N -1 0 354.269 4.373 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000007709441 204304973 /nfs/dbraw/zinc/30/49/73/204304973.db2.gz CJDYTYROWWYHIX-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000035685949 204347798 /nfs/dbraw/zinc/34/77/98/204347798.db2.gz UKUYPCRFMFVLEN-UHFFFAOYSA-N -1 0 369.442 4.143 50 0 FIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000009060112 204353149 /nfs/dbraw/zinc/35/31/49/204353149.db2.gz AMXMPSMSXZFASY-GOSISDBHSA-N -1 0 354.413 4.298 50 0 FIAARM CC(C)c1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000008729937 204342965 /nfs/dbraw/zinc/34/29/65/204342965.db2.gz PIYIFZMOYJCEOW-FPOVZHCZSA-N -1 0 351.446 4.375 50 0 FIAARM Cc1cc2oc(=O)cc(C[P@](=O)([O-])CCc3ccccc3)c2cc1C ZINC000036369862 204379161 /nfs/dbraw/zinc/37/91/61/204379161.db2.gz NLQRYISINFJZLO-UHFFFAOYSA-N -1 0 356.358 4.423 50 0 biogenic FIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2c1cnn2-c1ccccc1F ZINC000012396023 204458156 /nfs/dbraw/zinc/45/81/56/204458156.db2.gz UYEBLLREPLJTGX-UHFFFAOYSA-N -1 0 351.312 4.064 50 0 FIAARM COc1ccc(-n2ncc(-c3cc(C(=O)[O-])c4cc(C)ccc4n3)c2C)cc1 ZINC000032918652 204946664 /nfs/dbraw/zinc/94/66/64/204946664.db2.gz OBOFFEOVASCOPF-UHFFFAOYSA-N -1 0 373.412 4.411 50 0 FIAARM COc1ccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)cc1O ZINC000039982754 205048484 /nfs/dbraw/zinc/04/84/84/205048484.db2.gz JBULWNKDNXYVAH-CXUHLZMHSA-N -1 0 373.455 4.326 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccsc2)CC(=O)N3)cc1 ZINC000040266991 205064659 /nfs/dbraw/zinc/06/46/59/205064659.db2.gz PLQSRJZQYLDPDL-AWEZNQCLSA-N -1 0 368.414 4.369 50 0 FIAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000040287878 205065880 /nfs/dbraw/zinc/06/58/80/205065880.db2.gz HZHGTFKQCLJRNG-CYBMUJFWSA-N -1 0 356.378 4.500 50 0 FIAARM CC(C)(CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044831642 205112233 /nfs/dbraw/zinc/11/22/33/205112233.db2.gz RDLJKFZZRXLVOY-UHFFFAOYSA-N -1 0 353.418 4.169 50 0 FIAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000045967546 205127712 /nfs/dbraw/zinc/12/77/12/205127712.db2.gz KENUIDKTYKFCPX-UHFFFAOYSA-N -1 0 356.397 4.157 50 0 FIAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)on1 ZINC000049544144 205172472 /nfs/dbraw/zinc/17/24/72/205172472.db2.gz BEDXVQXIWWZZIX-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM CCCOc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809413 205294377 /nfs/dbraw/zinc/29/43/77/205294377.db2.gz AJQCGHDTPIIMTK-UHFFFAOYSA-N -1 0 355.419 4.039 50 0 FIAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064670108 205303525 /nfs/dbraw/zinc/30/35/25/205303525.db2.gz BLDVWAPFZJCLJC-UHFFFAOYSA-N -1 0 374.487 4.236 50 0 FIAARM CC(C)Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc21 ZINC000064759965 205305089 /nfs/dbraw/zinc/30/50/89/205305089.db2.gz PZQMBBDRBURPAM-UHFFFAOYSA-N -1 0 363.870 4.147 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)o2)c1C ZINC000064958583 205310505 /nfs/dbraw/zinc/31/05/05/205310505.db2.gz FRZZXNLKNQIEGZ-UHFFFAOYSA-N -1 0 370.789 4.145 50 0 FIAARM COC(=O)c1c(SCc2ccc(C)cc2C)[n-]c2ccccc2c1=O ZINC000015731499 220163087 /nfs/dbraw/zinc/16/30/87/220163087.db2.gz HIGYKFYGBZHBMO-UHFFFAOYSA-N -1 0 353.443 4.224 50 0 FIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](CC(C)C)SCC(=O)N2 ZINC000079490326 205638213 /nfs/dbraw/zinc/63/82/13/205638213.db2.gz RIGJRLOJLVLKBQ-AWEZNQCLSA-N -1 0 359.451 4.301 50 0 FIAARM O=C(c1ccccc1)[C@@H](Cc1ccccc1)[P@](=O)([O-])c1ccccc1 ZINC000001235537 206146391 /nfs/dbraw/zinc/14/63/91/206146391.db2.gz UZOWACUTRGANNK-HXUWFJFHSA-N -1 0 350.354 4.077 50 0 FIAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C)c(Oc1ccccc1F)c2=O ZINC000004263633 206172139 /nfs/dbraw/zinc/17/21/39/206172139.db2.gz OJZRVZMKCOKZLF-UHFFFAOYSA-N -1 0 372.348 4.059 50 0 FIAARM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1cccs1 ZINC000004036350 206164354 /nfs/dbraw/zinc/16/43/54/206164354.db2.gz VCTKYBRBZRZBGQ-UHFFFAOYSA-N -1 0 373.484 4.221 50 0 FIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000007055819 206207258 /nfs/dbraw/zinc/20/72/58/206207258.db2.gz KZWTXDMJKWQPKN-UHFFFAOYSA-N -1 0 371.458 4.438 50 0 FIAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884185 206211644 /nfs/dbraw/zinc/21/16/44/206211644.db2.gz SOFNDAODLAEYBG-FQEVSTJZSA-N -1 0 358.397 4.152 50 0 FIAARM CC(C)CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100732849 206225040 /nfs/dbraw/zinc/22/50/40/206225040.db2.gz RCDUPJZGUYSYMA-UHFFFAOYSA-N -1 0 368.408 4.145 50 0 FIAARM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000002140877 206227721 /nfs/dbraw/zinc/22/77/21/206227721.db2.gz UBCXJOCGMOANTK-FPYGCLRLSA-N -1 0 351.171 4.265 50 0 FIAARM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC000004825630 206239565 /nfs/dbraw/zinc/23/95/65/206239565.db2.gz JNBJCUJCTGTLSM-SNVBAGLBSA-N -1 0 368.216 4.406 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000004825627 206239666 /nfs/dbraw/zinc/23/96/66/206239666.db2.gz KKKPLTVKYNLFCJ-UHFFFAOYSA-N -1 0 374.607 4.363 50 0 FIAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccccc1Cl ZINC000011613925 206284497 /nfs/dbraw/zinc/28/44/97/206284497.db2.gz KCEOISZLTRMNGB-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000012748708 206295119 /nfs/dbraw/zinc/29/51/19/206295119.db2.gz PTRYUWYDARRYQT-UHFFFAOYSA-N -1 0 367.426 4.161 50 0 FIAARM Cc1ccc(Cc2ccccc2C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000221385943 206407682 /nfs/dbraw/zinc/40/76/82/206407682.db2.gz ICDBYGYRHZWITR-LJQANCHMSA-N -1 0 351.446 4.055 50 0 FIAARM O=c1cc([O-])n(-c2ccc(Cl)c(Cl)c2)c(=S)n1-c1ccccc1 ZINC000101150512 132233617 /nfs/dbraw/zinc/23/36/17/132233617.db2.gz YZLBECZVRBBQQL-UHFFFAOYSA-N -1 0 365.241 4.048 50 0 FIAARM CCC[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000087492893 520990571 /nfs/dbraw/zinc/99/05/71/520990571.db2.gz HKELUUGCKFRJQM-LJQANCHMSA-N -1 0 353.418 4.121 50 0 FIAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 ZINC000089827796 527576523 /nfs/dbraw/zinc/57/65/23/527576523.db2.gz WTQDIKVSDWSHPI-GOSISDBHSA-N -1 0 370.836 4.273 50 0 FIAARM CCCCOCCOc1nc(-c2ccc(C(=O)[O-])c(F)c2)sc1C ZINC000013676272 560220148 /nfs/dbraw/zinc/22/01/48/560220148.db2.gz HSAOETBFVAWNRP-UHFFFAOYSA-N -1 0 353.415 4.151 50 0 in-vitro FIAARM O=C(c1cnn(-c2ccnc3cc(Cl)ccc32)c1)c1cc(F)ccc1[O-] ZINC000012311809 568134351 /nfs/dbraw/zinc/13/43/51/568134351.db2.gz IWSQBDFJROVOBT-UHFFFAOYSA-N -1 0 367.767 4.150 50 0 FIAARM O=C([O-])c1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000000622109 570438762 /nfs/dbraw/zinc/43/87/62/570438762.db2.gz VODSFAVGEJUBHO-UHFFFAOYSA-N -1 0 373.408 4.424 50 0 FIAARM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H](c2ccccc2)O1 ZINC000072289351 570449343 /nfs/dbraw/zinc/44/93/43/570449343.db2.gz MKPJZKCXKKGNQF-SJKOYZFVSA-N -1 0 354.431 4.093 50 0 FIAARM COc1ccc(CN(C(=O)c2cccs2)c2ccccc2C(=O)[O-])cc1 ZINC000000704157 570451363 /nfs/dbraw/zinc/45/13/63/570451363.db2.gz VGEZSEDLOCUZNZ-UHFFFAOYSA-N -1 0 367.426 4.302 50 0 FIAARM CCN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000095516580 570466373 /nfs/dbraw/zinc/46/63/73/570466373.db2.gz WJOSEYPFKBQLGS-UHFFFAOYSA-N -1 0 350.418 4.145 50 0 FIAARM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000000990698 570468653 /nfs/dbraw/zinc/46/86/53/570468653.db2.gz GUGDCKFGAAQQSE-RBUKOAKNSA-N -1 0 351.402 4.393 50 0 FIAARM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1cccc2cccnc21 ZINC000001115490 570480909 /nfs/dbraw/zinc/48/09/09/570480909.db2.gz VJYGWSYMJPEYRW-UHFFFAOYSA-N -1 0 360.438 4.287 50 0 FIAARM O=C(NC1CCCCC1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 ZINC000001119318 570481798 /nfs/dbraw/zinc/48/17/98/570481798.db2.gz GGSJNFBOZHSXOP-UHFFFAOYSA-N -1 0 374.428 4.190 50 0 FIAARM CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)[O-])nn1-c1nc2ccccc2s1 ZINC000013984323 570800102 /nfs/dbraw/zinc/80/01/02/570800102.db2.gz CFYOJKXZFPAJJY-APBUJDDRSA-N -1 0 353.447 4.355 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000016780638 570862420 /nfs/dbraw/zinc/86/24/20/570862420.db2.gz VJXNYLHMJMQMCF-UHFFFAOYSA-N -1 0 363.479 4.192 50 0 FIAARM COc1ccc(-n2nc(C)c3sc([C@H]4CCC[C@@H](C(=O)[O-])C4)nc32)cc1 ZINC000032918830 571060381 /nfs/dbraw/zinc/06/03/81/571060381.db2.gz IXVBQRMTQVQOBH-QWHCGFSZSA-N -1 0 371.462 4.157 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000032971264 571077814 /nfs/dbraw/zinc/07/78/14/571077814.db2.gz CFSVHFZHEBHSDU-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000035142347 571119644 /nfs/dbraw/zinc/11/96/44/571119644.db2.gz WPOZRAXLPOUEII-KBXCAEBGSA-N -1 0 359.853 4.475 50 0 FIAARM O=c1c2cccc(F)c2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015828800 571130041 /nfs/dbraw/zinc/13/00/41/571130041.db2.gz CXKWUIIGAWWZHZ-UHFFFAOYSA-N -1 0 372.204 4.219 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(C)c1 ZINC000068740859 571153520 /nfs/dbraw/zinc/15/35/20/571153520.db2.gz HWZOVVOFUPBSTN-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)sc1C ZINC000075435263 571178855 /nfs/dbraw/zinc/17/88/55/571178855.db2.gz IPEJVMHLYYIAIW-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM COC(=O)c1cc(Oc2ccnc3cc(Cl)ccc32)cc(C(=O)[O-])c1 ZINC000012555357 571180739 /nfs/dbraw/zinc/18/07/39/571180739.db2.gz COXVQGWTWCVAIP-UHFFFAOYSA-N -1 0 357.749 4.165 50 0 FIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)[O-] ZINC000071793189 571203356 /nfs/dbraw/zinc/20/33/56/571203356.db2.gz AELWKLOBTIMVCI-UITAMQMPSA-N -1 0 370.623 4.192 50 0 FIAARM CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@@H](C)C(=O)[O-])CCC3 ZINC000002139424 571203929 /nfs/dbraw/zinc/20/39/29/571203929.db2.gz CBQDOUMZGJALAW-ZDUSSCGKSA-N -1 0 358.434 4.256 50 0 biogenic FIAARM O=C([O-])C[C@@H](c1c[nH]c2ncc(Br)cc21)c1ccc(F)cc1 ZINC000035960120 571211293 /nfs/dbraw/zinc/21/12/93/571211293.db2.gz VESZBSJRHCPWMM-GFCCVEGCSA-N -1 0 363.186 4.071 50 0 FIAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)on1 ZINC000033290287 571230212 /nfs/dbraw/zinc/23/02/12/571230212.db2.gz YRWOHHAZIRWYGV-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl ZINC000065553594 571264801 /nfs/dbraw/zinc/26/48/01/571264801.db2.gz JKKDYJVTTUXDNL-BQYQJAHWSA-N -1 0 372.229 4.104 50 0 FIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000002228251 571291481 /nfs/dbraw/zinc/29/14/81/571291481.db2.gz DPKIZRNZECBVSR-UHFFFAOYSA-N -1 0 354.413 4.094 50 0 FIAARM CC[C@@H](/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc21)C(=O)[O-] ZINC000013144886 571323107 /nfs/dbraw/zinc/32/31/07/571323107.db2.gz ONIINDPDHIFBGG-SFAXUQRRSA-N -1 0 351.402 4.181 50 0 FIAARM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000095454513 571329924 /nfs/dbraw/zinc/32/99/24/571329924.db2.gz FSAXOEDBEYRTLM-UHFFFAOYSA-N -1 0 369.229 4.449 50 0 FIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000020580311 571331256 /nfs/dbraw/zinc/33/12/56/571331256.db2.gz HWTPQEMSEYIHBB-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)on1 ZINC000020978397 571332057 /nfs/dbraw/zinc/33/20/57/571332057.db2.gz MIOGOIXEEZFMGL-UHFFFAOYSA-N -1 0 372.830 4.305 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)n[nH]1 ZINC000096341443 571335504 /nfs/dbraw/zinc/33/55/04/571335504.db2.gz YLDXOHNEBQKPPC-UHFFFAOYSA-N -1 0 367.883 4.209 50 0 FIAARM Cc1cc(C)cc(NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)c1 ZINC000002971417 571343103 /nfs/dbraw/zinc/34/31/03/571343103.db2.gz WUSHXEYXXXDPOQ-UHFFFAOYSA-N -1 0 367.474 4.095 50 0 FIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(-n3cncn3)cc1)CC2 ZINC000095947951 1083503630 /nfs/dbraw/zinc/50/36/30/1083503630.db2.gz KMUUWVNSLATKSV-PTNGSMBKSA-N -1 0 368.396 4.001 50 0 FIAARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc(C(F)(F)F)c2)c1[O-] ZINC000254291344 1086269736 /nfs/dbraw/zinc/26/97/36/1086269736.db2.gz AXPWPPVNRKXSDS-UHFFFAOYSA-N -1 0 359.691 4.419 50 0 FIAARM CC(N=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc(O)cc1 ZINC000254491759 1086321678 /nfs/dbraw/zinc/32/16/78/1086321678.db2.gz GHOFCLHZVHUIDP-UHFFFAOYSA-N -1 0 374.611 4.282 50 0 FIAARM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC[C@H](Nc2ccccc2)C1 ZINC000080023213 1089998493 /nfs/dbraw/zinc/99/84/93/1089998493.db2.gz HRIGQAFIBVVHDO-ZDUSSCGKSA-N -1 0 351.233 4.026 50 0 FIAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1ccc2ccccc2c1 ZINC000014085374 1090239286 /nfs/dbraw/zinc/23/92/86/1090239286.db2.gz OMHARSSZTUBKMB-SFQUDFHCSA-N -1 0 368.392 4.192 50 0 FIAARM CC(C)c1nc2sc3c(ncnc3SCC(=O)[O-])c2c2c1CCC2 ZINC000002413633 204038871 /nfs/dbraw/zinc/03/88/71/204038871.db2.gz XRKMQDLEGRWSJR-UHFFFAOYSA-N -1 0 359.476 4.028 50 0 FIAARM C[C@]1(C2CCCC2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000002003275 204024246 /nfs/dbraw/zinc/02/42/46/204024246.db2.gz RNOJGTHBMJBOSP-QGZVFWFLSA-N -1 0 357.233 4.392 50 0 in-vitro FIAARM Cc1cc(C)cc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)c1 ZINC000002148915 204026871 /nfs/dbraw/zinc/02/68/71/204026871.db2.gz RAFUHJJIJRVEJH-UHFFFAOYSA-N -1 0 366.413 4.314 50 0 biogenic FIAARM CCCCCCc1cc2c(cc1OCC(=O)[O-])oc(=O)c1c2CCCC1 ZINC000003234295 204083537 /nfs/dbraw/zinc/08/35/37/204083537.db2.gz RYMHAEFPTXNFHW-UHFFFAOYSA-N -1 0 358.434 4.258 50 0 FIAARM CC[C@H](C)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002526286 204044076 /nfs/dbraw/zinc/04/40/76/204044076.db2.gz IQIOLCJHRZWOLS-XOBRGWDASA-N -1 0 367.445 4.367 50 0 FIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O ZINC000003683729 204110122 /nfs/dbraw/zinc/11/01/22/204110122.db2.gz OGKFRFYLEWZMSJ-UHFFFAOYSA-N -1 0 357.321 4.085 50 0 FIAARM CCc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000004175038 204125697 /nfs/dbraw/zinc/12/56/97/204125697.db2.gz XDFYXBFRCGDTLV-KBPBESRZSA-N -1 0 358.463 4.202 50 0 FIAARM CC1=C(C)C[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000004903240 204174541 /nfs/dbraw/zinc/17/45/41/204174541.db2.gz GOKDECLRUVZGJO-QWHCGFSZSA-N -1 0 356.249 4.057 50 0 FIAARM CC[C@H](C)[C@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031256 204186112 /nfs/dbraw/zinc/18/61/12/204186112.db2.gz UAJTZFAZHIEZAX-MAUKXSAKSA-N -1 0 350.418 4.127 50 0 FIAARM CC[C@@H](C)[C@@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031240 204186291 /nfs/dbraw/zinc/18/62/91/204186291.db2.gz UAJTZFAZHIEZAX-QAPCUYQASA-N -1 0 350.418 4.127 50 0 FIAARM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])c(Cl)c3n2)cc1 ZINC000005044502 204186822 /nfs/dbraw/zinc/18/68/22/204186822.db2.gz ZGYIZPUVZOKRHH-UHFFFAOYSA-N -1 0 355.703 4.075 50 0 FIAARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc(OC)c1 ZINC000005131035 204192438 /nfs/dbraw/zinc/19/24/38/204192438.db2.gz LYAKMTRKURAEPO-NTUHNPAUSA-N -1 0 355.415 4.329 50 0 FIAARM CCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000005326094 204203338 /nfs/dbraw/zinc/20/33/38/204203338.db2.gz RHGCCTDOGPUFRI-FUMNGEBKSA-N -1 0 350.414 4.004 50 0 FIAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n1 ZINC000005721339 204221777 /nfs/dbraw/zinc/22/17/77/204221777.db2.gz INSAVBKVMGKBDP-RIYZIHGNSA-N -1 0 361.810 4.244 50 0 FIAARM COC(=O)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000005832686 204227084 /nfs/dbraw/zinc/22/70/84/204227084.db2.gz HMPQDKFMNIOTIO-GXDHUFHOSA-N -1 0 353.399 4.098 50 0 FIAARM O=C([O-])/C(=C\c1ccc(F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 ZINC000006566304 204253394 /nfs/dbraw/zinc/25/33/94/204253394.db2.gz IZVNRFIIUWDWTF-NTEUORMPSA-N -1 0 360.341 4.233 50 0 FIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1Cl ZINC000006589256 204254759 /nfs/dbraw/zinc/25/47/59/204254759.db2.gz LUOOPIZXOWFFAS-UHFFFAOYSA-N -1 0 370.261 4.287 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)on1 ZINC000007005493 204285830 /nfs/dbraw/zinc/28/58/30/204285830.db2.gz XOICANYNGYRBNP-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM CCn1c(S[C@H](C(=O)[O-])c2ccccc2)nnc1-c1cccc(C)c1 ZINC000009048826 204352609 /nfs/dbraw/zinc/35/26/09/204352609.db2.gz ZXGHZNDMQMNSBJ-INIZCTEOSA-N -1 0 353.447 4.191 50 0 FIAARM O=c1nc(CSCc2ccccc2Br)[n-]c2ccsc21 ZINC000009585652 204375382 /nfs/dbraw/zinc/37/53/82/204375382.db2.gz CTHPZWDXKMLWPZ-UHFFFAOYSA-N -1 0 367.293 4.181 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)c1C ZINC000009686826 204378734 /nfs/dbraw/zinc/37/87/34/204378734.db2.gz ZPBOHHWBNGHKNY-UHFFFAOYSA-N -1 0 365.455 4.003 50 0 FIAARM Cc1sc2[n-]c(=S)n(C[C@@H]3CCCO3)c(=O)c2c1-c1ccccc1 ZINC000017074008 204648658 /nfs/dbraw/zinc/64/86/58/204648658.db2.gz QFBRTLIZWMTZOV-ZDUSSCGKSA-N -1 0 358.488 4.275 50 0 FIAARM O=C([O-])c1cccc(CSCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000032885586 204943784 /nfs/dbraw/zinc/94/37/84/204943784.db2.gz BPQPFJFISMIJMM-UHFFFAOYSA-N -1 0 366.438 4.413 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccs2)CC(=O)N3)cc1 ZINC000040266269 205064456 /nfs/dbraw/zinc/06/44/56/205064456.db2.gz NDCSIXDFOQQFCZ-ZDUSSCGKSA-N -1 0 368.414 4.369 50 0 FIAARM CCCCN(CC)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053478 205130056 /nfs/dbraw/zinc/13/00/56/205130056.db2.gz JRHWKGWZCOKVNP-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCCCC1 ZINC000046053401 205130565 /nfs/dbraw/zinc/13/05/65/205130565.db2.gz YFXJYYCDFHSFEY-UHFFFAOYSA-N -1 0 356.397 4.157 50 0 FIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)c(Cl)c2)c1=O ZINC000049409503 205171976 /nfs/dbraw/zinc/17/19/76/205171976.db2.gz POVOSBYLIHTBFS-UHFFFAOYSA-N -1 0 362.838 4.003 50 0 FIAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000064734963 205303548 /nfs/dbraw/zinc/30/35/48/205303548.db2.gz KORLAIYENSBULC-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(CC)cc2)c2cccnc21 ZINC000065242357 205328244 /nfs/dbraw/zinc/32/82/44/205328244.db2.gz QQUGBKVFXNVKNE-UHFFFAOYSA-N -1 0 357.479 4.200 50 0 FIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820398 205306161 /nfs/dbraw/zinc/30/61/61/205306161.db2.gz BCLRODXAQPCAJT-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2)on1 ZINC000064845632 205306790 /nfs/dbraw/zinc/30/67/90/205306790.db2.gz ZRFIFJDQHPYWKN-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccsc3)no2)cc1Cl ZINC000065153432 205320378 /nfs/dbraw/zinc/32/03/78/205320378.db2.gz ABBGRKCWQJIFAK-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)Nc2ccc3occc3c2)C1 ZINC000072140472 205478568 /nfs/dbraw/zinc/47/85/68/205478568.db2.gz HSLBMYLTUHVXMZ-CQSZACIVSA-N -1 0 350.374 4.152 50 0 FIAARM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237322597 206100332 /nfs/dbraw/zinc/10/03/32/206100332.db2.gz RYDMYMOBSRRONH-KBPBESRZSA-N -1 0 371.399 4.302 50 0 FIAARM Cc1ccc(-c2nc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cs2)c(C)c1 ZINC000237747539 206109910 /nfs/dbraw/zinc/10/99/10/206109910.db2.gz OBTNDXCWNRHLEJ-OAHLLOKOSA-N -1 0 372.490 4.144 50 0 FIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccs1)oc1ccccc12 ZINC000003389451 206161407 /nfs/dbraw/zinc/16/14/07/206161407.db2.gz JBMVCIPFZFMZTC-UHFFFAOYSA-N -1 0 359.428 4.457 50 0 FIAARM O=C([O-])c1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000004298595 206174029 /nfs/dbraw/zinc/17/40/29/206174029.db2.gz CLMUJDJFMCAVDV-XNTDXEJSSA-N -1 0 368.392 4.254 50 0 FIAARM COc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCCO5)sc2c1 ZINC000004137838 206170739 /nfs/dbraw/zinc/17/07/39/206170739.db2.gz ZQLQTFWSMINSMH-UHFFFAOYSA-N -1 0 371.443 4.429 50 0 aggregator FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccs2)C1 ZINC000005131348 206189388 /nfs/dbraw/zinc/18/93/88/206189388.db2.gz UZLYDACUZMAVMX-RAXLEYEMSA-N -1 0 350.443 4.371 50 0 FIAARM Cc1ccc2[n-]c(C(=O)OCc3ccc(C(F)(F)F)cc3)cc(=O)c2c1 ZINC000012948013 206298553 /nfs/dbraw/zinc/29/85/53/206298553.db2.gz RCNGMVLMNRUJKE-UHFFFAOYSA-N -1 0 361.319 4.212 50 0 FIAARM O=C([O-])c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)C(F)F ZINC000025184227 206336291 /nfs/dbraw/zinc/33/62/91/206336291.db2.gz UCRPCXMYJKKEKK-UHFFFAOYSA-N -1 0 371.315 4.051 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000244723943 206556398 /nfs/dbraw/zinc/55/63/98/206556398.db2.gz MKRWIJFQWRQXDZ-QGZVFWFLSA-N -1 0 357.837 4.094 50 0 FIAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071753565 136140382 /nfs/dbraw/zinc/14/03/82/136140382.db2.gz GMUJYRXAOISBOM-PQCQUMGKSA-N -1 0 373.456 4.405 50 0 FIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC1CCCCC1 ZINC000002970199 263327612 /nfs/dbraw/zinc/32/76/12/263327612.db2.gz ZNDLNCDSVCFFER-UHFFFAOYSA-N -1 0 373.522 4.068 50 0 FIAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1F ZINC000096765787 527621689 /nfs/dbraw/zinc/62/16/89/527621689.db2.gz FCGFMSSHDSFYRM-DJWKRKHSSA-N -1 0 352.333 4.177 50 0 FIAARM O=C([O-])c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000000784493 568224459 /nfs/dbraw/zinc/22/44/59/568224459.db2.gz BBLHJIPPKXCMMS-UHFFFAOYSA-N -1 0 364.382 4.358 50 0 FIAARM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C ZINC000095067884 570451396 /nfs/dbraw/zinc/45/13/96/570451396.db2.gz HDUPCEZDHQEYQM-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000000848419 570460221 /nfs/dbraw/zinc/46/02/21/570460221.db2.gz SWMDTALDCOJRMW-UHFFFAOYSA-N -1 0 374.396 4.263 50 0 FIAARM Cc1nc2sccn2c1-c1csc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000000853347 570460815 /nfs/dbraw/zinc/46/08/15/570460815.db2.gz HJGRLXGEIXGRAP-UHFFFAOYSA-N -1 0 356.432 4.270 50 0 FIAARM O=c1oc2cc([O-])ccc2cc1-c1nnc(Nc2ccc(Cl)cc2)s1 ZINC000001019796 570471305 /nfs/dbraw/zinc/47/13/05/570471305.db2.gz LBMBRQYYWNNLQF-UHFFFAOYSA-N -1 0 371.805 4.414 50 0 FIAARM CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011566012 570480908 /nfs/dbraw/zinc/48/09/08/570480908.db2.gz FJLBCCXSGGPOEG-UHFFFAOYSA-N -1 0 362.495 4.493 50 0 FIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000001158778 570485739 /nfs/dbraw/zinc/48/57/39/570485739.db2.gz RCLDAGAOVWAVPD-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM CCOC(=O)c1c(C)oc2ccc(OCc3ccc(C(=O)[O-])cc3)cc21 ZINC000011867671 570597718 /nfs/dbraw/zinc/59/77/18/570597718.db2.gz IMCOTNSKYAWQCC-UHFFFAOYSA-N -1 0 354.358 4.195 50 0 FIAARM CCCCSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000011917139 570601936 /nfs/dbraw/zinc/60/19/36/570601936.db2.gz GMSIGYFBGQELRT-UHFFFAOYSA-N -1 0 360.464 4.338 50 0 FIAARM Nc1c(Oc2ccc(Cl)cc2Cl)ccc(Cl)c1S(=O)(=O)[O-] ZINC000002165005 570618309 /nfs/dbraw/zinc/61/83/09/570618309.db2.gz MBGCVMRGYAYUQK-UHFFFAOYSA-N -1 0 368.625 4.268 50 0 FIAARM CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000014018329 570801831 /nfs/dbraw/zinc/80/18/31/570801831.db2.gz RJNLZNIDOZTDFW-UHFFFAOYSA-N -1 0 354.262 4.336 50 0 FIAARM CCc1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1 ZINC000101275619 570817893 /nfs/dbraw/zinc/81/78/93/570817893.db2.gz NKBPUTNYSODFSN-UHFFFAOYSA-N -1 0 353.472 4.279 50 0 FIAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c1=O ZINC000101505699 570820799 /nfs/dbraw/zinc/82/07/99/570820799.db2.gz UIUQFTSQKFUJRV-UHFFFAOYSA-N -1 0 370.478 4.246 50 0 FIAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3cc(C)ccc3C)no2)c1=O ZINC000101725562 570822858 /nfs/dbraw/zinc/82/28/58/570822858.db2.gz VXHVBQYGDTYUKV-UHFFFAOYSA-N -1 0 361.401 4.061 50 0 FIAARM O=C(NCc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000102710163 570836084 /nfs/dbraw/zinc/83/60/84/570836084.db2.gz HGNJXENMXLDHSP-UHFFFAOYSA-N -1 0 369.424 4.175 50 0 FIAARM CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCc1cccc(C)c1 ZINC000103721327 570852216 /nfs/dbraw/zinc/85/22/16/570852216.db2.gz SYIWZXSTUWXTNV-WQRHYEAKSA-N -1 0 369.442 4.297 50 0 FIAARM CCCCc1c(C)nc2[n-]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000018029811 570874542 /nfs/dbraw/zinc/87/45/42/570874542.db2.gz STPHMSUTIDTPBD-UHFFFAOYSA-N -1 0 362.886 4.427 50 0 FIAARM O=C([O-])c1ccc(-n2c(/C=C\c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000032625323 571058949 /nfs/dbraw/zinc/05/89/49/571058949.db2.gz CLMUJDJFMCAVDV-GDNBJRDFSA-N -1 0 368.392 4.254 50 0 FIAARM Cc1ccc(NC(=O)c2cccc(NC(=O)CCCC(=O)[O-])c2)cc1Cl ZINC000015800285 571068465 /nfs/dbraw/zinc/06/84/65/571068465.db2.gz VVSSJRUMKCAEFZ-UHFFFAOYSA-N -1 0 374.824 4.094 50 0 FIAARM C[C@H](Oc1cccnc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000084660466 571095204 /nfs/dbraw/zinc/09/52/04/571095204.db2.gz LHFGBKFQLPUEFT-HNNXBMFYSA-N -1 0 354.431 4.022 50 0 FIAARM O=S(=O)([N-]c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1c[nH]cn1 ZINC000015864039 571139222 /nfs/dbraw/zinc/13/92/22/571139222.db2.gz GYEAERNQAUTGOF-UHFFFAOYSA-N -1 0 372.837 4.012 50 0 FIAARM Cc1cc(OCc2ccc(Br)cc2)nc(-c2ccccc2[O-])n1 ZINC000001095864 571146165 /nfs/dbraw/zinc/14/61/65/571146165.db2.gz BAAXHWNDULKNSI-UHFFFAOYSA-N -1 0 371.234 4.499 50 0 FIAARM O=C([O-])C1(Cc2ccccc2C(F)(F)F)CCN(c2nccs2)CC1 ZINC000071762109 571165565 /nfs/dbraw/zinc/16/55/65/571165565.db2.gz DWKIGIUIYHZRNH-UHFFFAOYSA-N -1 0 370.396 4.076 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000079036849 571217295 /nfs/dbraw/zinc/21/72/95/571217295.db2.gz YYYFXBNGYFROJG-NEPJUHHUSA-N -1 0 360.237 4.029 50 0 FIAARM O=C([O-])c1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)o1 ZINC000426398952 571219714 /nfs/dbraw/zinc/21/97/14/571219714.db2.gz ATIDOTMTNQWYDX-UHFFFAOYSA-N -1 0 374.412 4.161 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C ZINC000004747275 571230431 /nfs/dbraw/zinc/23/04/31/571230431.db2.gz OAZITJUUAWYFTF-NNQQKZCGSA-N -1 0 360.494 4.066 50 0 FIAARM Cc1cc(C(=O)[O-])c(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)s1 ZINC000006792734 571246767 /nfs/dbraw/zinc/24/67/67/571246767.db2.gz TUKZUUGYQGIOFI-VIFPVBQESA-N -1 0 364.467 4.432 50 0 FIAARM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccco3)c(Cl)c2)o1 ZINC000170067752 571261655 /nfs/dbraw/zinc/26/16/55/571261655.db2.gz NUSCYKOJDIYTOG-UHFFFAOYSA-N -1 0 361.737 4.056 50 0 FIAARM O=C([O-])Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000238129408 571277397 /nfs/dbraw/zinc/27/73/97/571277397.db2.gz BCVVCYZMFPQATH-UHFFFAOYSA-N -1 0 361.397 4.145 50 0 FIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](CC(C)C)SCC(=O)N2 ZINC000079490319 571327645 /nfs/dbraw/zinc/32/76/45/571327645.db2.gz RIGJRLOJLVLKBQ-CQSZACIVSA-N -1 0 359.451 4.301 50 0 FIAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000079493650 571327661 /nfs/dbraw/zinc/32/76/61/571327661.db2.gz XWMQTXLLZCOKDB-MRXNPFEDSA-N -1 0 357.435 4.121 50 0 FIAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O)N1CCCCC1 ZINC000020102264 571328017 /nfs/dbraw/zinc/32/80/17/571328017.db2.gz UMKBUXQSBLTWQD-UHFFFAOYSA-N -1 0 371.506 4.190 50 0 FIAARM Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000670417850 571339122 /nfs/dbraw/zinc/33/91/22/571339122.db2.gz VCESOIPCXQDTOT-LZGZYFLISA-N -1 0 369.505 4.302 50 0 FIAARM O=C([O-])c1csc(C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000261494869 1093991631 /nfs/dbraw/zinc/99/16/31/1093991631.db2.gz OGIIUWPVXDTPOE-UHFFFAOYSA-N -1 0 358.675 4.049 50 0 FIAARM CC(C)CN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000306314494 1103687239 /nfs/dbraw/zinc/68/72/39/1103687239.db2.gz YRSYEMHJAVCESM-UHFFFAOYSA-N -1 0 367.445 4.368 50 0 FIAARM COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc(Cl)c1O ZINC000096792014 1111663491 /nfs/dbraw/zinc/66/34/91/1111663491.db2.gz NEWNKVCMWJJLEE-SREVYHEPSA-N -1 0 355.777 4.471 50 0 FIAARM CCCCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000003765115 203808181 /nfs/dbraw/zinc/80/81/81/203808181.db2.gz GBXXFOGDRGEMNO-IBGZPJMESA-N -1 0 355.434 4.201 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C ZINC000253500724 203909882 /nfs/dbraw/zinc/90/98/82/203909882.db2.gz OAZITJUUAWYFTF-GHNARMLHSA-N -1 0 360.494 4.066 50 0 FIAARM Cc1cc2c(ncn2C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000001385952 204002872 /nfs/dbraw/zinc/00/28/72/204002872.db2.gz ZOYCQBXYKXWTRG-UHFFFAOYSA-N -1 0 371.506 4.288 50 0 FIAARM COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000002910499 204067932 /nfs/dbraw/zinc/06/79/32/204067932.db2.gz OVWPIXMYWTUHAU-UHFFFAOYSA-N -1 0 368.216 4.309 50 0 biogenic FIAARM CC(C)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002562459 204044274 /nfs/dbraw/zinc/04/42/74/204044274.db2.gz UJOQOPBFLFQOJJ-FQEVSTJZSA-N -1 0 367.445 4.415 50 0 FIAARM O=C([O-])C[C@H](c1ccc(Cl)c(Cl)c1)N1Cc2ccccc2C1=O ZINC000002597310 204044640 /nfs/dbraw/zinc/04/46/40/204044640.db2.gz KBURCUKVPGULRK-OAHLLOKOSA-N -1 0 350.201 4.165 50 0 FIAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCC2)cc1 ZINC000002585579 204044701 /nfs/dbraw/zinc/04/47/01/204044701.db2.gz LPGJFDJKGZMMCF-PMACEKPBSA-N -1 0 365.429 4.003 50 0 FIAARM CC(C)(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002567260 204045574 /nfs/dbraw/zinc/04/55/74/204045574.db2.gz RPLVCXKSSXJFDS-IBGZPJMESA-N -1 0 367.445 4.415 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002737982 204054395 /nfs/dbraw/zinc/05/43/95/204054395.db2.gz HZCIMJLAYGKQHT-KBPBESRZSA-N -1 0 362.426 4.087 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002767463 204056278 /nfs/dbraw/zinc/05/62/78/204056278.db2.gz NUNMZPXTDKBXAC-QWHCGFSZSA-N -1 0 362.838 4.069 50 0 FIAARM CC(C)c1ccc(NC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000003660313 204110746 /nfs/dbraw/zinc/11/07/46/204110746.db2.gz FCMYMNLZSIHJHP-UHFFFAOYSA-N -1 0 350.418 4.181 50 0 FIAARM Nc1ccc(-c2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)cc1 ZINC000003878455 204112514 /nfs/dbraw/zinc/11/25/14/204112514.db2.gz XPQQCHIDBUFYEC-UHFFFAOYSA-N -1 0 354.624 4.370 50 0 FIAARM O=C([O-])C[C@H](c1cccc(Cl)c1Cl)N1Cc2ccccc2C1=O ZINC000003884315 204113047 /nfs/dbraw/zinc/11/30/47/204113047.db2.gz XKBSQSYLSYMRRD-CQSZACIVSA-N -1 0 350.201 4.165 50 0 FIAARM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004141934 204123149 /nfs/dbraw/zinc/12/31/49/204123149.db2.gz CARGTECPHKJDLX-MSOLQXFVSA-N -1 0 373.449 4.029 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000004207431 204126832 /nfs/dbraw/zinc/12/68/32/204126832.db2.gz NKVVZGCELFOGBD-UHFFFAOYSA-N -1 0 363.804 4.498 50 0 FIAARM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000003624676 204109222 /nfs/dbraw/zinc/10/92/22/204109222.db2.gz MYIWNIXDOMVDLE-VQTJNVASSA-N -1 0 369.461 4.300 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004652325 204151754 /nfs/dbraw/zinc/15/17/54/204151754.db2.gz ZIBONJJMVWRWIY-CHWSQXEVSA-N -1 0 364.854 4.293 50 0 FIAARM CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004650988 204152219 /nfs/dbraw/zinc/15/22/19/204152219.db2.gz XEUBJIMTTAHGPC-QBQONVIKSA-N -1 0 361.526 4.379 50 0 FIAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)C(=O)[O-])c1 ZINC000004719255 204157652 /nfs/dbraw/zinc/15/76/52/204157652.db2.gz DRNQCDRSQDXCCL-RDTXWAMCSA-N -1 0 359.853 4.475 50 0 FIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000004825985 204167108 /nfs/dbraw/zinc/16/71/08/204167108.db2.gz FZRQMINBJBSBJX-UHFFFAOYSA-N -1 0 366.417 4.156 50 0 FIAARM Cc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1Cl)c(C(=O)[O-])n2C ZINC000004821809 204167284 /nfs/dbraw/zinc/16/72/84/204167284.db2.gz HQYQJTTXELLXLG-UHFFFAOYSA-N -1 0 370.836 4.328 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000004241118 204128619 /nfs/dbraw/zinc/12/86/19/204128619.db2.gz VJBNWHRFTFEEAZ-QGZVFWFLSA-N -1 0 373.371 4.102 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004241091 204129118 /nfs/dbraw/zinc/12/91/18/204129118.db2.gz RTAALXHRKJFITN-KRWDZBQOSA-N -1 0 374.264 4.390 50 0 FIAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N1 ZINC000004548851 204146286 /nfs/dbraw/zinc/14/62/86/204146286.db2.gz AHQVXIRYGVICJX-PMACEKPBSA-N -1 0 365.454 4.207 50 0 FIAARM O=S(=O)([N-]c1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000004877435 204171678 /nfs/dbraw/zinc/17/16/78/204171678.db2.gz XQHVRNDTDHAEPK-UHFFFAOYSA-N -1 0 357.888 4.040 50 0 FIAARM COc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)ccc1O ZINC000006086702 204237075 /nfs/dbraw/zinc/23/70/75/204237075.db2.gz GQDTXNKZUVRZDU-JLHYYAGUSA-N -1 0 355.415 4.416 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000006887661 204279854 /nfs/dbraw/zinc/27/98/54/204279854.db2.gz ICNDRGCNQMGXQL-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)s2)on1 ZINC000007005500 204286000 /nfs/dbraw/zinc/28/60/00/204286000.db2.gz UJBMTICTCXLOQI-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM Cc1cccc2sc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)nc21 ZINC000006800755 204271682 /nfs/dbraw/zinc/27/16/82/204271682.db2.gz BSMXANARJTZHSV-UHFFFAOYSA-N -1 0 372.393 4.424 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)on1 ZINC000006887782 204278909 /nfs/dbraw/zinc/27/89/09/204278909.db2.gz MYNARJMAWGBFEM-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Cl)c(Cl)c1 ZINC000007709439 204304650 /nfs/dbraw/zinc/30/46/50/204304650.db2.gz CKTZCPYEJZACKW-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM O=S(=O)([N-]c1ncnc2sc(-c3ccccc3)cc21)c1cccs1 ZINC000008132333 204319488 /nfs/dbraw/zinc/31/94/88/204319488.db2.gz VCHBWXMPKKRCPP-UHFFFAOYSA-N -1 0 373.484 4.221 50 0 FIAARM COc1ccc(-c2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1OC ZINC000008337614 204327286 /nfs/dbraw/zinc/32/72/86/204327286.db2.gz LGIJAJBZNKYHNO-UHFFFAOYSA-N -1 0 373.405 4.261 50 0 FIAARM CCOc1ccc(-c2csc3ncnc(SCCC(=O)[O-])c23)cc1 ZINC000036108766 204361379 /nfs/dbraw/zinc/36/13/79/204361379.db2.gz BRXZQBGAUIEEBL-UHFFFAOYSA-N -1 0 360.460 4.324 50 0 FIAARM CC[C@@]1(C)Cc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000008766587 204344610 /nfs/dbraw/zinc/34/46/10/204344610.db2.gz AFXOCKAAWCCLLF-IBGZPJMESA-N -1 0 372.515 4.410 50 0 FIAARM CCCCCSc1nc2ccc(NC(=O)CCC(=O)[O-])cc2s1 ZINC000019891226 204712620 /nfs/dbraw/zinc/71/26/20/204712620.db2.gz PTANRIOYSGNKHO-UHFFFAOYSA-N -1 0 352.481 4.382 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2)CC(=O)N3)cc1 ZINC000040309063 205023352 /nfs/dbraw/zinc/02/33/52/205023352.db2.gz DJSFLULJNZXIFS-MRXNPFEDSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM CC1(C)CC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039778408 205047890 /nfs/dbraw/zinc/04/78/90/205047890.db2.gz LLFFLWRZPGHUGE-LJQANCHMSA-N -1 0 365.429 4.263 50 0 FIAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000040285418 205065692 /nfs/dbraw/zinc/06/56/92/205065692.db2.gz GALDTZQFQJYGGR-CYBMUJFWSA-N -1 0 366.870 4.001 50 0 FIAARM CCCOc1ccc2cc(S(=O)(=O)[N-]c3ccccc3O)ccc2c1 ZINC000041092055 205088671 /nfs/dbraw/zinc/08/86/71/205088671.db2.gz CPRKUPLLCJNMHT-UHFFFAOYSA-N -1 0 357.431 4.135 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c(C)c1 ZINC000058165915 205252766 /nfs/dbraw/zinc/25/27/66/205252766.db2.gz HFYXOEVGJOSSMB-UHFFFAOYSA-N -1 0 374.487 4.140 50 0 FIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246390 205328056 /nfs/dbraw/zinc/32/80/56/205328056.db2.gz SDHGSZJTYMSMMY-UHFFFAOYSA-N -1 0 373.434 4.015 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c2cccnc21 ZINC000065242343 205328191 /nfs/dbraw/zinc/32/81/91/205328191.db2.gz HUFRVNXYTMMRSV-UHFFFAOYSA-N -1 0 361.442 4.085 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1-c1ccno1 ZINC000064844993 205307542 /nfs/dbraw/zinc/30/75/42/205307542.db2.gz LDJUCCSJAGQQEO-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)o1 ZINC000065003750 205313647 /nfs/dbraw/zinc/31/36/47/205313647.db2.gz IXXJHJVCMLXSAT-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)s2)o1 ZINC000065003926 205314549 /nfs/dbraw/zinc/31/45/49/205314549.db2.gz HSUIUVJKQJWITK-UHFFFAOYSA-N -1 0 372.830 4.305 50 0 FIAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000065112575 205318693 /nfs/dbraw/zinc/31/86/93/205318693.db2.gz FQEJWSDQPOZVFX-UHFFFAOYSA-N -1 0 361.492 4.131 50 0 FIAARM O=C([O-])c1cccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn32)c1 ZINC000065322796 205337188 /nfs/dbraw/zinc/33/71/88/205337188.db2.gz YJKMERNTMXERDL-UHFFFAOYSA-N -1 0 364.792 4.492 50 0 FIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2C(F)(F)F ZINC000066089625 205364639 /nfs/dbraw/zinc/36/46/39/205364639.db2.gz HOTGSCWPCSPMJT-QMMMGPOBSA-N -1 0 359.300 4.241 50 0 FIAARM CCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100498456 205945017 /nfs/dbraw/zinc/94/50/17/205945017.db2.gz FTWKQPANEXIXIZ-UHFFFAOYSA-N -1 0 370.836 4.413 50 0 FIAARM CCOc1ccc(Cl)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000048382481 206084823 /nfs/dbraw/zinc/08/48/23/206084823.db2.gz ZYVOZCIDTKRLOY-IBGZPJMESA-N -1 0 361.825 4.110 50 0 FIAARM Cc1cc(OC/C=C/c2ccccc2)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000001805697 206151722 /nfs/dbraw/zinc/15/17/22/206151722.db2.gz ZLWZCYJUQQSIKC-RMKNXTFCSA-N -1 0 364.397 4.129 50 0 FIAARM CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1OC ZINC000003899445 206164725 /nfs/dbraw/zinc/16/47/25/206164725.db2.gz CIYJVFJBFXRWJD-UHFFFAOYSA-N -1 0 366.417 4.182 50 0 biogenic FIAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](c3cccs3)C2)c(=O)o1 ZINC000007039902 206206739 /nfs/dbraw/zinc/20/67/39/206206739.db2.gz DQGDCKYBCQXQAG-AWEZNQCLSA-N -1 0 352.415 4.393 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)cc1Cl ZINC000000641864 206223563 /nfs/dbraw/zinc/22/35/63/206223563.db2.gz HIYRIVCUZFYTKQ-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM O=C([O-])CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000169615873 206254853 /nfs/dbraw/zinc/25/48/53/206254853.db2.gz VKQUEGRDPVGATJ-UHFFFAOYSA-N -1 0 366.364 4.280 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 ZINC000012552650 206293771 /nfs/dbraw/zinc/29/37/71/206293771.db2.gz FGTWEMWILJKBDS-UHFFFAOYSA-N -1 0 351.642 4.151 50 0 FIAARM O=c1cc([O-])n(-c2cccc(Cl)c2Cl)c(=S)n1-c1ccccc1 ZINC000101150057 132233582 /nfs/dbraw/zinc/23/35/82/132233582.db2.gz ZDEQHCSVADQZPL-UHFFFAOYSA-N -1 0 365.241 4.048 50 0 FIAARM O=C([O-])C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000003358744 132385297 /nfs/dbraw/zinc/38/52/97/132385297.db2.gz KAQYKEMSSFZDSG-UHFFFAOYSA-N -1 0 373.865 4.313 50 0 FIAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])C1 ZINC000046053435 136122009 /nfs/dbraw/zinc/12/20/09/136122009.db2.gz CONDURNKDQVQDG-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)CC1 ZINC000064820428 136133819 /nfs/dbraw/zinc/13/38/19/136133819.db2.gz MVJWOZFWMPYSLZ-UHFFFAOYSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000064820286 136133848 /nfs/dbraw/zinc/13/38/48/136133848.db2.gz PNEMLXPGMLNHTO-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(c2ccc3ccccc3n2)C1 ZINC000071613760 136139388 /nfs/dbraw/zinc/13/93/88/136139388.db2.gz QWGKMBQXUBCKIS-HSZRJFAPSA-N -1 0 360.457 4.457 50 0 FIAARM COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O)cc1 ZINC000014762797 560097099 /nfs/dbraw/zinc/09/70/99/560097099.db2.gz TUUXBSASAQJECY-UHFFFAOYSA-N -1 0 368.385 4.094 50 0 biogenic,investigational FIAARM COC(=O)c1c(NC(=O)c2cc(C)on2)sc(C)c1-c1ccccc1 ZINC000000648323 568041074 /nfs/dbraw/zinc/04/10/74/568041074.db2.gz POKALMJZCOLUHP-UHFFFAOYSA-N -1 0 356.403 4.059 50 0 FIAARM O=C([O-])C[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000628946 570440423 /nfs/dbraw/zinc/44/04/23/570440423.db2.gz YVHXTQQJFAOBCJ-OAHLLOKOSA-N -1 0 365.429 4.265 50 0 FIAARM Cc1cc2nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2cc1C ZINC000000798354 570456962 /nfs/dbraw/zinc/45/69/62/570456962.db2.gz GWGSVXHJLGNECI-UHFFFAOYSA-N -1 0 361.449 4.244 50 0 FIAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000095501990 570463215 /nfs/dbraw/zinc/46/32/15/570463215.db2.gz FMIRXEUUVBKLBU-SFHVURJKSA-N -1 0 364.445 4.381 50 0 FIAARM Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000991211 570468560 /nfs/dbraw/zinc/46/85/60/570468560.db2.gz SNRATQFBTLMJHB-MSOLQXFVSA-N -1 0 351.402 4.393 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000001145722 570484331 /nfs/dbraw/zinc/48/43/31/570484331.db2.gz QZXDIDGUKYOIQZ-UHFFFAOYSA-N -1 0 360.262 4.365 50 0 FIAARM CCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100678882 570506530 /nfs/dbraw/zinc/50/65/30/570506530.db2.gz HSFCVQPRARBCHL-UHFFFAOYSA-N -1 0 356.809 4.023 50 0 FIAARM Cc1cccc(C)c1Oc1ccc([N-]S(=O)(=O)c2ccccc2)cn1 ZINC000034840454 570557025 /nfs/dbraw/zinc/55/70/25/570557025.db2.gz HPKMSFVPUUCSKV-UHFFFAOYSA-N -1 0 354.431 4.292 50 0 FIAARM O=C([O-])Cn1nc(C2CC2)c2c1nc(-c1ccc(F)cc1)cc2C(F)F ZINC000012395322 570741846 /nfs/dbraw/zinc/74/18/46/570741846.db2.gz ASFUAVMQDNAWQU-UHFFFAOYSA-N -1 0 361.323 4.137 50 0 FIAARM CCC(CC)C(=O)Nc1cc(Br)c([O-])c(Br)c1 ZINC000013941655 570797869 /nfs/dbraw/zinc/79/78/69/570797869.db2.gz BBLSABMDUDTQBO-UHFFFAOYSA-N -1 0 365.065 4.292 50 0 FIAARM CCCN(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC000032885593 570835498 /nfs/dbraw/zinc/83/54/98/570835498.db2.gz KWUBOLLMHCUDGL-UHFFFAOYSA-N -1 0 371.502 4.365 50 0 FIAARM Cc1ccc(C)c(-n2c(-c3sc4ncccc4c3N)n[n-]c2=S)c1 ZINC000019894292 570905244 /nfs/dbraw/zinc/90/52/44/570905244.db2.gz UOJKZXBQQIMZIE-UHFFFAOYSA-N -1 0 353.476 4.406 50 0 FIAARM O=C([O-])CSc1nnc(-c2cc3ccccc3o2)n1C1CCCCC1 ZINC000020724182 570923929 /nfs/dbraw/zinc/92/39/29/570923929.db2.gz DMNUSIVKEKZIKB-UHFFFAOYSA-N -1 0 357.435 4.373 50 0 FIAARM C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000025047859 570989649 /nfs/dbraw/zinc/98/96/49/570989649.db2.gz BYZFUNHQDREUND-JLTOFOAXSA-N -1 0 369.436 4.140 50 0 FIAARM CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000027822930 571021996 /nfs/dbraw/zinc/02/19/96/571021996.db2.gz RAJLUSJGSZJLOZ-UHFFFAOYSA-N -1 0 368.886 4.413 50 0 FIAARM O=C([N-]c1nonc1-c1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000027990957 571025557 /nfs/dbraw/zinc/02/55/57/571025557.db2.gz WVSXQJMNLJNDOL-UHFFFAOYSA-N -1 0 366.764 4.297 50 0 FIAARM CC1=C(C(=O)[O-])[C@@H](c2ccccc2Cl)NC(=S)N1c1ccccc1 ZINC000008727218 571058300 /nfs/dbraw/zinc/05/83/00/571058300.db2.gz QCDTWLKPUVLZPY-MRXNPFEDSA-N -1 0 358.850 4.134 50 0 FIAARM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1csc(-c3ccccn3)n1)CC2 ZINC000096310729 571064855 /nfs/dbraw/zinc/06/48/55/571064855.db2.gz LIGHWWXCWNBLFR-DHZHZOJOSA-N -1 0 366.398 4.017 50 0 FIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000226779824 571085120 /nfs/dbraw/zinc/08/51/20/571085120.db2.gz SRWDCWQXGVLUEE-UHFFFAOYSA-N -1 0 365.429 4.265 50 0 FIAARM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000012779454 571097945 /nfs/dbraw/zinc/09/79/45/571097945.db2.gz CYZQQJYZXBEEFO-HNNXBMFYSA-N -1 0 361.825 4.040 50 0 FIAARM C[C@]1(C(=O)[O-])CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000070915633 571117925 /nfs/dbraw/zinc/11/79/25/571117925.db2.gz NANBTYVNWVGYFU-QFIPXVFZSA-N -1 0 365.429 4.122 50 0 FIAARM C=C1C[C@H](O)[C@@H](C/C=C\CCCC(=O)[O-])[C@H]1/C=C/[C@H](O)CCCCC ZINC000027639352 571128130 /nfs/dbraw/zinc/12/81/30/571128130.db2.gz ROZAFJXVUNORLT-WULBYHBPSA-N -1 0 350.499 4.238 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000015942515 571146523 /nfs/dbraw/zinc/14/65/23/571146523.db2.gz NKZXPYBTYNCKIY-UHFFFAOYSA-N -1 0 370.430 4.028 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1-c1cc(NCc2cccnc2)nc2[nH]ccc21 ZINC000072145521 571172971 /nfs/dbraw/zinc/17/29/71/571172971.db2.gz ZYWCHQKQHDGUNO-UHFFFAOYSA-N -1 0 358.401 4.244 50 0 FIAARM Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072161296 571175846 /nfs/dbraw/zinc/17/58/46/571175846.db2.gz SNJLCWLVZXSBCW-HNNXBMFYSA-N -1 0 363.413 4.378 50 0 FIAARM Cc1nc2cc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)ccc2o1 ZINC000012536097 571176112 /nfs/dbraw/zinc/17/61/12/571176112.db2.gz NDGGLPIJQZSLOX-UHFFFAOYSA-N -1 0 357.218 4.244 50 0 FIAARM C[C@H](c1ccc2c(c1)OCCCO2)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000077407803 571210431 /nfs/dbraw/zinc/21/04/31/571210431.db2.gz QERNMHLIJXZXLF-CQSZACIVSA-N -1 0 364.401 4.019 50 0 FIAARM C[C@@H](Oc1ccc(CC(=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000170086670 571262100 /nfs/dbraw/zinc/26/21/00/571262100.db2.gz AFMGOUBXSFESOR-LLVKDONJSA-N -1 0 358.781 4.157 50 0 FIAARM COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 ZINC000002217049 571289409 /nfs/dbraw/zinc/28/94/09/571289409.db2.gz YSLBUUHJTVSAHL-UHFFFAOYSA-N -1 0 361.323 4.126 50 0 FIAARM Cc1cc(-c2csc(NC(=O)c3c([O-])cc(F)cc3F)n2)c(C)o1 ZINC000066049899 571289749 /nfs/dbraw/zinc/28/97/49/571289749.db2.gz HNHOEYZVGGMZEJ-UHFFFAOYSA-N -1 0 350.346 4.256 50 0 FIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000011944735 571322187 /nfs/dbraw/zinc/32/21/87/571322187.db2.gz JEGMIVXFOLGJBY-WEVVVXLNSA-N -1 0 363.207 4.135 50 0 FIAARM COc1cccc(-c2[nH]nc3nc(-c4cccc(F)c4)cc(C(=O)[O-])c32)c1 ZINC000013363553 571323324 /nfs/dbraw/zinc/32/33/24/571323324.db2.gz PDLNJFXDEDYVKM-UHFFFAOYSA-N -1 0 363.348 4.138 50 0 FIAARM Cc1cccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328596959 571323709 /nfs/dbraw/zinc/32/37/09/571323709.db2.gz BVTSQMQBKRKYRS-SFHVURJKSA-N -1 0 370.836 4.191 50 0 FIAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000079493653 571327648 /nfs/dbraw/zinc/32/76/48/571327648.db2.gz XWMQTXLLZCOKDB-INIZCTEOSA-N -1 0 357.435 4.121 50 0 FIAARM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000095468041 571330567 /nfs/dbraw/zinc/33/05/67/571330567.db2.gz WCWJCQDPMMZOSU-UHFFFAOYSA-N -1 0 371.453 4.371 50 0 FIAARM CN(C)c1nc(Cl)c(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)s1 ZINC000096310784 571335208 /nfs/dbraw/zinc/33/52/08/571335208.db2.gz UYIGVULGCMYYRN-FPLPWBNLSA-N -1 0 359.838 4.279 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000096323601 571335391 /nfs/dbraw/zinc/33/53/91/571335391.db2.gz NPOPBHSYNHKHPT-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2C(F)(F)F)c1[O-] ZINC000254701944 1086367122 /nfs/dbraw/zinc/36/71/22/1086367122.db2.gz KQQNYTXSNCANJT-UHFFFAOYSA-N -1 0 359.691 4.419 50 0 FIAARM O=C([O-])CCC(=O)Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000000826952 1086615474 /nfs/dbraw/zinc/61/54/74/1086615474.db2.gz BCYSBKBUFYVENZ-UHFFFAOYSA-N -1 0 364.426 4.185 50 0 FIAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000244594085 209898431 /nfs/dbraw/zinc/89/84/31/209898431.db2.gz DGEZUQFPZCRBNS-QFIPXVFZSA-N -1 0 367.445 4.079 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])n2)c(C)c1 ZINC000001117318 219372381 /nfs/dbraw/zinc/37/23/81/219372381.db2.gz GQRCXXOFLDABNH-CABCVRRESA-N -1 0 356.447 4.032 50 0 FIAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004649194 209500989 /nfs/dbraw/zinc/50/09/89/209500989.db2.gz OSXUWZRUCZLQBD-SNVBAGLBSA-N -1 0 368.216 4.406 50 0 FIAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCCc2nc3ccccc3s2)C1 ZINC000238007062 209357768 /nfs/dbraw/zinc/35/77/68/209357768.db2.gz DVLKSSVZTOJJKT-OAHLLOKOSA-N -1 0 374.506 4.113 50 0 FIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000048990258 209332265 /nfs/dbraw/zinc/33/22/65/209332265.db2.gz GMHQANIHXQUQSG-UHFFFAOYSA-N -1 0 361.353 4.033 50 0 FIAARM CCOC(=O)C(=O)[C@@H]1CCc2c3cc(C4CCCCC4)ccc3[nH]c2C1=O ZINC000100541929 209214388 /nfs/dbraw/zinc/21/43/88/209214388.db2.gz ILIBTDGADGVARC-MRXNPFEDSA-N -1 0 367.445 4.093 50 0 FIAARM Cc1cccc(-c2noc(COc3ccc(CCC(=O)[O-])cc3Cl)n2)c1 ZINC000097166022 209174234 /nfs/dbraw/zinc/17/42/34/209174234.db2.gz DKEZIGHJFVYADO-UHFFFAOYSA-N -1 0 372.808 4.295 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C ZINC000253500726 206790919 /nfs/dbraw/zinc/79/09/19/206790919.db2.gz OAZITJUUAWYFTF-YGOMNGJKSA-N -1 0 360.494 4.066 50 0 FIAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002115057 206799005 /nfs/dbraw/zinc/79/90/05/206799005.db2.gz WQVWXMFLRNVCEC-FQEVSTJZSA-N -1 0 352.386 4.259 50 0 biogenic FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])n2)c(C)c1 ZINC000001199907 206866955 /nfs/dbraw/zinc/86/69/55/206866955.db2.gz LSTGYEAPORVPFO-GJZGRUSLSA-N -1 0 358.463 4.256 50 0 FIAARM O=C([O-])CS[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000001402915 206880137 /nfs/dbraw/zinc/88/01/37/206880137.db2.gz DKVAOWFZYVTMEK-OAHLLOKOSA-N -1 0 369.364 4.203 50 0 FIAARM O=C([O-])c1[nH]c2ccccc2c1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003906672 206994538 /nfs/dbraw/zinc/99/45/38/206994538.db2.gz TWIZQBBZMHJXRE-UHFFFAOYSA-N -1 0 362.307 4.066 50 0 FIAARM O=C([O-])c1cc(-c2ccco2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000004207126 207008224 /nfs/dbraw/zinc/00/82/24/207008224.db2.gz AUFXIGADXYZBAI-UHFFFAOYSA-N -1 0 353.765 4.091 50 0 FIAARM CCc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004264221 207009952 /nfs/dbraw/zinc/00/99/52/207009952.db2.gz ZLKLJIPSAHOWBA-HXUWFJFHSA-N -1 0 364.445 4.182 50 0 FIAARM COc1ccc(C(F)(F)F)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000004389170 207018404 /nfs/dbraw/zinc/01/84/04/207018404.db2.gz MPLOWDXXLQHSKB-UHFFFAOYSA-N -1 0 373.371 4.468 50 0 FIAARM CCCc1c(C)nc2ccc(Br)cc2c1SCC(=O)[O-] ZINC000004663349 207035083 /nfs/dbraw/zinc/03/50/83/207035083.db2.gz CLJPRFFMWAYYFD-UHFFFAOYSA-N -1 0 354.269 4.435 50 0 FIAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004581051 207029970 /nfs/dbraw/zinc/02/99/70/207029970.db2.gz CWKVBZAPFQTZFT-LJQANCHMSA-N -1 0 369.461 4.329 50 0 FIAARM O=C([O-])c1ccccc1SCc1nc2ccccn2c1Br ZINC000004864581 207057256 /nfs/dbraw/zinc/05/72/56/207057256.db2.gz MQSHEFPBVPIQSA-UHFFFAOYSA-N -1 0 363.236 4.087 50 0 FIAARM CCc1cccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920641 207063214 /nfs/dbraw/zinc/06/32/14/207063214.db2.gz YAKIIZQESYFECE-UHFFFAOYSA-N -1 0 356.809 4.263 50 0 FIAARM CC(=O)Oc1ccc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000005063598 207077649 /nfs/dbraw/zinc/07/76/49/207077649.db2.gz MNWOYQHYKQKHMP-UHFFFAOYSA-N -1 0 354.387 4.177 50 0 FIAARM Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000006234371 207135082 /nfs/dbraw/zinc/13/50/82/207135082.db2.gz FHIHQUQXRZLDSA-UHFFFAOYSA-N -1 0 355.246 4.134 50 0 FIAARM O=C([O-])c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000006431697 207140921 /nfs/dbraw/zinc/14/09/21/207140921.db2.gz IXGWNLFZNWTOAQ-NTCAYCPXSA-N -1 0 368.392 4.254 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1cc(Cl)cc(Cl)c1 ZINC000007709464 207203582 /nfs/dbraw/zinc/20/35/82/207203582.db2.gz QNMQYTLASPEQJH-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2o1 ZINC000008110122 207219575 /nfs/dbraw/zinc/21/95/75/207219575.db2.gz OATBOECFVYBQEV-UHFFFAOYSA-N -1 0 357.218 4.244 50 0 FIAARM COc1ccc(Cc2n[n-]c(=S)n2-c2cc(C)ccc2C)cc1OC ZINC000008667636 207240947 /nfs/dbraw/zinc/24/09/47/207240947.db2.gz WGSJKPCYVZBLOX-UHFFFAOYSA-N -1 0 355.463 4.155 50 0 FIAARM Cc1cc(C)c2c(n1)sc1c2[n-]c(SCc2ccccc2)nc1=O ZINC000008670378 207241116 /nfs/dbraw/zinc/24/11/16/207241116.db2.gz MKHGNZQMAWYBRF-UHFFFAOYSA-N -1 0 353.472 4.442 50 0 aggregator FIAARM CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000008714622 207244061 /nfs/dbraw/zinc/24/40/61/207244061.db2.gz NXOWXFIEERHFDA-UHFFFAOYSA-N -1 0 368.886 4.413 50 0 FIAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000010512351 207302455 /nfs/dbraw/zinc/30/24/55/207302455.db2.gz ISWZTTCJPMZJQR-UHFFFAOYSA-N -1 0 373.455 4.003 50 0 FIAARM O=C([O-])Cn1nc(C2CC2)c2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000012395258 207369759 /nfs/dbraw/zinc/36/97/59/207369759.db2.gz SNHAJCQBHJMEDU-UHFFFAOYSA-N -1 0 361.323 4.079 50 0 FIAARM CCc1nn2c(nc(C)c(CCC(=O)[O-])c2C)c1-c1ccc(Cl)cc1 ZINC000013689182 207476929 /nfs/dbraw/zinc/47/69/29/207476929.db2.gz PUKKHBCMQCBPHQ-UHFFFAOYSA-N -1 0 357.841 4.246 50 0 FIAARM CCCOc1c(Br)cc(Br)cc1/C=C/C(=O)[O-] ZINC000013747781 207483276 /nfs/dbraw/zinc/48/32/76/207483276.db2.gz HCGHPOVIYOECHD-ONEGZZNKSA-N -1 0 364.033 4.098 50 0 FIAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3cccc(CC)c3)c2)on1 ZINC000033290292 208083121 /nfs/dbraw/zinc/08/31/21/208083121.db2.gz MRAJBCICJWOQMH-UHFFFAOYSA-N -1 0 362.476 4.329 50 0 FIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)cc1C ZINC000035528143 208127717 /nfs/dbraw/zinc/12/77/17/208127717.db2.gz HNJMGQOAHKBRAI-UHFFFAOYSA-N -1 0 368.458 4.043 50 0 FIAARM Cc1ccc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035142027 208119557 /nfs/dbraw/zinc/11/95/57/208119557.db2.gz HWPYXNZTJGFSAT-CZUORRHYSA-N -1 0 359.853 4.475 50 0 FIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040313188 208184164 /nfs/dbraw/zinc/18/41/64/208184164.db2.gz KABQKXKODVCXMR-INIZCTEOSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM CCC(CC)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044122491 208310749 /nfs/dbraw/zinc/31/07/49/208310749.db2.gz SHDUOAKEZPAHOK-HXUWFJFHSA-N -1 0 367.445 4.415 50 0 FIAARM O=C(c1c([O-])cc(F)cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000095385761 209043467 /nfs/dbraw/zinc/04/34/67/209043467.db2.gz LAXFNKYREAFWMF-UHFFFAOYSA-N -1 0 356.372 4.172 50 0 FIAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000001173403 132380744 /nfs/dbraw/zinc/38/07/44/132380744.db2.gz VZLRRACTUSPWHM-PDGQHHTCSA-N -1 0 358.353 4.052 50 0 FIAARM O=C([O-])C[C@H](CC(=O)Oc1ccccc1N1CCCCC1)c1ccccc1 ZINC000004307663 132386690 /nfs/dbraw/zinc/38/66/90/132386690.db2.gz MZVHBIXQUOWNHI-GOSISDBHSA-N -1 0 367.445 4.231 50 0 FIAARM C[C@@H](SCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000012779962 132862930 /nfs/dbraw/zinc/86/29/30/132862930.db2.gz VVTLBXCDYVXDMO-CZUORRHYSA-N -1 0 373.499 4.073 50 0 FIAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCCCC3)c([O-])n2n1 ZINC000022626035 570455788 /nfs/dbraw/zinc/45/57/88/570455788.db2.gz SDTYWPJPSFTZBZ-CQSZACIVSA-N -1 0 362.886 4.034 50 0 FIAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2ncccc21 ZINC000000803243 570457566 /nfs/dbraw/zinc/45/75/66/570457566.db2.gz QDVKWSZNLMNYSB-UHFFFAOYSA-N -1 0 361.184 4.492 50 0 FIAARM CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576223 570502142 /nfs/dbraw/zinc/50/21/42/570502142.db2.gz QXVFEIPAZSXRGM-DJJJIMSYSA-N -1 0 353.418 4.024 50 0 FIAARM CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384875 570520336 /nfs/dbraw/zinc/52/03/36/570520336.db2.gz VCFCFPNRQDANPN-IBGZPJMESA-N -1 0 353.418 4.169 50 0 FIAARM CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386816 570520505 /nfs/dbraw/zinc/52/05/05/570520505.db2.gz VHZUUIWBAYOCDD-VBKZILBWSA-N -1 0 367.445 4.415 50 0 FIAARM Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000002976381 570545499 /nfs/dbraw/zinc/54/54/99/570545499.db2.gz QHHFOJMTUXHQGB-FQEVSTJZSA-N -1 0 364.397 4.185 50 0 FIAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccccc1Br ZINC000003348235 570561296 /nfs/dbraw/zinc/56/12/96/570561296.db2.gz LSOKWJIMCSVKBL-UHFFFAOYSA-N -1 0 362.248 4.403 50 0 FIAARM O=c1nn[n-]c2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000005491280 570678996 /nfs/dbraw/zinc/67/89/96/570678996.db2.gz HBAIABUDIHLLCP-UHFFFAOYSA-N -1 0 354.338 4.087 50 0 FIAARM CC(=O)C(Sc1ncnc2scc(-c3ccc(F)cc3)c21)=C(C)O ZINC000101082434 570806033 /nfs/dbraw/zinc/80/60/33/570806033.db2.gz LZCIVUTUKZZCQP-UHFFFAOYSA-N -1 0 360.435 4.136 50 0 FIAARM COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCC3)c(F)c2)c1 ZINC000014960644 570826924 /nfs/dbraw/zinc/82/69/24/570826924.db2.gz XPRDUGXOWVXZLL-UHFFFAOYSA-N -1 0 355.365 4.005 50 0 investigational FIAARM CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000017070408 570865357 /nfs/dbraw/zinc/86/53/57/570865357.db2.gz JXORSZSWDCTAIB-UHFFFAOYSA-N -1 0 354.859 4.023 50 0 FIAARM Cc1sc2[n-]c(=S)n(C[C@H]3CCCO3)c(=O)c2c1-c1ccccc1 ZINC000017074009 570866589 /nfs/dbraw/zinc/86/65/89/570866589.db2.gz QFBRTLIZWMTZOV-CYBMUJFWSA-N -1 0 358.488 4.275 50 0 FIAARM CC1(C)Cc2c(sc3[n-]c(=S)n(C4CCCCC4)c(=O)c23)CO1 ZINC000018275848 570877883 /nfs/dbraw/zinc/87/78/83/570877883.db2.gz KCKSTBQULJLGMF-UHFFFAOYSA-N -1 0 350.509 4.477 50 0 FIAARM Cc1cccc(-n2c3c(c(=O)[n-]c2=S)CN(C2CCCCC2)CN3)c1C ZINC000020418029 570915612 /nfs/dbraw/zinc/91/56/12/570915612.db2.gz GTESEIVZYWRMMQ-UHFFFAOYSA-N -1 0 370.522 4.030 50 0 FIAARM Cc1nn2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])c1Cl ZINC000020617286 570922153 /nfs/dbraw/zinc/92/21/53/570922153.db2.gz NPHAMIAFKMGGOQ-UHFFFAOYSA-N -1 0 356.596 4.363 50 0 FIAARM O=C([O-])CCC(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000019799619 570939711 /nfs/dbraw/zinc/93/97/11/570939711.db2.gz BCODNELCIBHSEJ-UHFFFAOYSA-N -1 0 372.471 4.392 50 0 FIAARM COc1ccccc1-n1nc(-c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000025763218 570999972 /nfs/dbraw/zinc/99/99/72/570999972.db2.gz BENGAPBKXOZBQN-UHFFFAOYSA-N -1 0 350.418 4.445 50 0 FIAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1F ZINC000028791180 571034080 /nfs/dbraw/zinc/03/40/80/571034080.db2.gz NPADBCRXTOJHRA-UHFFFAOYSA-N -1 0 363.410 4.058 50 0 FIAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(Oc2ccccc2)cc1 ZINC000001428971 571074643 /nfs/dbraw/zinc/07/46/43/571074643.db2.gz YHOMGPZFGCWYTG-UHFFFAOYSA-N -1 0 365.414 4.156 50 0 FIAARM COc1ccc(-c2nc(=S)[nH]cc2Oc2ccccc2OC)c(O)c1 ZINC000032501390 571110107 /nfs/dbraw/zinc/11/01/07/571110107.db2.gz VAEWEHUXYMQDEB-UHFFFAOYSA-N -1 0 356.403 4.321 50 0 FIAARM O=C([O-])c1cc(-c2ccc(Oc3ccc(Br)cc3)cc2)[nH]n1 ZINC000043573880 571133120 /nfs/dbraw/zinc/13/31/20/571133120.db2.gz VPUOSJUGBLKDLQ-UHFFFAOYSA-N -1 0 359.179 4.330 50 0 FIAARM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=S)NCc1ccco1 ZINC000001000113 571142443 /nfs/dbraw/zinc/14/24/43/571142443.db2.gz JVVMDLZLZPZJAZ-UHFFFAOYSA-N -1 0 362.760 4.008 50 0 FIAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000003864997 571187869 /nfs/dbraw/zinc/18/78/69/571187869.db2.gz NTRMEISKYMPYHK-SFHVURJKSA-N -1 0 370.836 4.273 50 0 FIAARM Cc1cc(C)cc(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002148765 571203896 /nfs/dbraw/zinc/20/38/96/571203896.db2.gz QMMVVHBPGVDCQA-UHFFFAOYSA-N -1 0 366.413 4.233 50 0 biogenic FIAARM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1Cl ZINC000004828547 571213500 /nfs/dbraw/zinc/21/35/00/571213500.db2.gz VQAAGPPLXUMUCU-UHFFFAOYSA-N -1 0 354.189 4.343 50 0 FIAARM CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)[O-] ZINC000091690902 571242388 /nfs/dbraw/zinc/24/23/88/571242388.db2.gz UOTJJWYWCUMQPY-UHFFFAOYSA-N -1 0 356.350 4.134 50 0 FIAARM CCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000006783505 571246331 /nfs/dbraw/zinc/24/63/31/571246331.db2.gz XEUBJIMTTAHGPC-WBTHXOAOSA-N -1 0 361.526 4.379 50 0 FIAARM CCc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C)no2)cc1C ZINC000064979629 571248227 /nfs/dbraw/zinc/24/82/27/571248227.db2.gz IJKIMOQAXYPBMD-UHFFFAOYSA-N -1 0 356.447 4.322 50 0 FIAARM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887787 571253328 /nfs/dbraw/zinc/25/33/28/571253328.db2.gz DZHCFGNJACLDND-UHFFFAOYSA-N -1 0 366.489 4.234 50 0 FIAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000065112420 571254395 /nfs/dbraw/zinc/25/43/95/571254395.db2.gz DPXUMNMLDSJHID-UHFFFAOYSA-N -1 0 361.492 4.049 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1C ZINC000065242290 571257558 /nfs/dbraw/zinc/25/75/58/571257558.db2.gz JHLQSRQOCYKOAP-UHFFFAOYSA-N -1 0 357.479 4.110 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1cn(CC(C)C)c2ncccc12 ZINC000065242319 571257726 /nfs/dbraw/zinc/25/77/26/571257726.db2.gz FEDJVLNVGKMPRW-UHFFFAOYSA-N -1 0 357.479 4.056 50 0 FIAARM Cc1cc([O-])c(C2=Nc3ccccc3N[C@@H](c3cccs3)C2)c(=O)o1 ZINC000007039913 571258072 /nfs/dbraw/zinc/25/80/72/571258072.db2.gz DQGDCKYBCQXQAG-CQSZACIVSA-N -1 0 352.415 4.393 50 0 FIAARM CCOc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)cc1 ZINC000065323358 571261760 /nfs/dbraw/zinc/26/17/60/571261760.db2.gz SPULAMYENXPWKD-UHFFFAOYSA-N -1 0 374.400 4.237 50 0 FIAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1C ZINC000170609245 571267392 /nfs/dbraw/zinc/26/73/92/571267392.db2.gz BWYQTQOYHOGSNR-UHFFFAOYSA-N -1 0 355.243 4.007 50 0 FIAARM Cc1c2ccc(OCc3cccc(F)c3)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002094396 571276929 /nfs/dbraw/zinc/27/69/29/571276929.db2.gz VBMVLYJVXSFEBS-UHFFFAOYSA-N -1 0 370.376 4.145 50 0 biogenic FIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000021033156 571332294 /nfs/dbraw/zinc/33/22/94/571332294.db2.gz PUHLZMAWVOUSDU-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM COc1cccc(-c2cc(C(=O)[O-])n3nc(C)c(-c4ccccc4)c3n2)c1 ZINC000020605297 1089686697 /nfs/dbraw/zinc/68/66/97/1089686697.db2.gz HOWAAKDRKUBITQ-UHFFFAOYSA-N -1 0 359.385 4.079 50 0 FIAARM CCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(OCCC)c1 ZINC000015953030 1094819282 /nfs/dbraw/zinc/81/92/82/1094819282.db2.gz XUWZBFCMRKUFHI-UHFFFAOYSA-N -1 0 356.422 4.408 50 0 FIAARM CC[C@](CNC(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000262988021 1099754198 /nfs/dbraw/zinc/75/41/98/1099754198.db2.gz LOZXZPQSPXPWNH-MRXNPFEDSA-N -1 0 372.273 4.217 50 0 FIAARM Cc1cccc(Oc2ccccc2NC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000263453527 1099792691 /nfs/dbraw/zinc/79/26/91/1099792691.db2.gz BHWKJESODQODHO-UHFFFAOYSA-N -1 0 354.406 4.116 50 0 FIAARM Cc1nn(CC(C)C)c(Cl)c1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000170635753 1115743163 /nfs/dbraw/zinc/74/31/63/1115743163.db2.gz NGJUWPWVGSNHAL-VOTSOKGWSA-N -1 0 362.861 4.283 50 0 FIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1 ZINC000000710160 219315879 /nfs/dbraw/zinc/31/58/79/219315879.db2.gz CTWMOMKBYLJAHK-GOSISDBHSA-N -1 0 370.836 4.191 50 0 FIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000003188491 219491556 /nfs/dbraw/zinc/49/15/56/219491556.db2.gz QPKFCXWJIXKZHC-DHZHZOJOSA-N -1 0 369.218 4.400 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000013391071 209579320 /nfs/dbraw/zinc/57/93/20/209579320.db2.gz PNWWORNLXOCJOT-JTQLQIEISA-N -1 0 368.216 4.406 50 0 FIAARM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000001143290 209485404 /nfs/dbraw/zinc/48/54/04/209485404.db2.gz DJXQEEXGCQZDBC-SNVBAGLBSA-N -1 0 368.216 4.406 50 0 FIAARM Cc1c2ccc(OCc3ccccc3Cl)cc2oc(=O)c1CCC(=O)[O-] ZINC000002095328 209394364 /nfs/dbraw/zinc/39/43/64/209394364.db2.gz CEDQHUHJBXRSNX-UHFFFAOYSA-N -1 0 372.804 4.351 50 0 biogenic FIAARM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccc2ccccc21 ZINC000001078408 209385972 /nfs/dbraw/zinc/38/59/72/209385972.db2.gz RWNHOGBPEMXZRR-UHFFFAOYSA-N -1 0 361.422 4.112 50 0 FIAARM C[C@@H](c1ccccc1)n1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100435396 209213825 /nfs/dbraw/zinc/21/38/25/209213825.db2.gz MZXXNYMEGPHVHK-JTQLQIEISA-N -1 0 361.264 4.057 50 0 FIAARM Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013682448 220083892 /nfs/dbraw/zinc/08/38/92/220083892.db2.gz OYBDDVALYQLXLC-INIZCTEOSA-N -1 0 361.401 4.311 50 0 FIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1c(C)noc1C)oc1ccccc12 ZINC000016130220 220178868 /nfs/dbraw/zinc/17/88/68/220178868.db2.gz ZGQCPACMSUMOAW-UHFFFAOYSA-N -1 0 372.402 4.000 50 0 FIAARM CCCCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000003765116 206687432 /nfs/dbraw/zinc/68/74/32/206687432.db2.gz GBXXFOGDRGEMNO-LJQANCHMSA-N -1 0 355.434 4.201 50 0 FIAARM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000004026838 206799279 /nfs/dbraw/zinc/79/92/79/206799279.db2.gz YJPIDPAGJSWWBE-FNIAAEIWSA-N -1 0 372.461 4.025 50 0 in-man FIAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCCC1 ZINC000000823368 206836480 /nfs/dbraw/zinc/83/64/80/206836480.db2.gz KKDDSLVLKBQARB-UHFFFAOYSA-N -1 0 357.020 4.234 50 0 FIAARM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)cc1Cl ZINC000001230473 206871064 /nfs/dbraw/zinc/87/10/64/206871064.db2.gz VRIJBYUDKIBUON-UHFFFAOYSA-N -1 0 369.870 4.083 50 0 FIAARM O=C([O-])c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002572449 206921607 /nfs/dbraw/zinc/92/16/07/206921607.db2.gz JRHUROPSUJVMNH-UHFFFAOYSA-N -1 0 373.408 4.424 50 0 FIAARM O=C([N-]N1c2ccccc2CCc2ccccc21)C(Cl)(Cl)Cl ZINC000004154638 207003036 /nfs/dbraw/zinc/00/30/36/207003036.db2.gz XRWJZJJGXCYMPP-UHFFFAOYSA-N -1 0 355.652 4.325 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000004241130 207009119 /nfs/dbraw/zinc/00/91/19/207009119.db2.gz WXGUGSIKOXDJSI-KRWDZBQOSA-N -1 0 373.371 4.102 50 0 FIAARM O=C([O-])CCCc1c(Br)[nH]c2cc(Br)ccc21 ZINC000004532565 207026909 /nfs/dbraw/zinc/02/69/09/207026909.db2.gz HKLILNGKZVGNPE-UHFFFAOYSA-N -1 0 361.033 4.100 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000004602538 207032506 /nfs/dbraw/zinc/03/25/06/207032506.db2.gz UAWRWJQMQNSANE-ANCGMVAHSA-N -1 0 361.869 4.188 50 0 FIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2ccccc2)cc1 ZINC000004653240 207035645 /nfs/dbraw/zinc/03/56/45/207035645.db2.gz GEVCRFXHANAAPU-GOSISDBHSA-N -1 0 371.502 4.408 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004700366 207039570 /nfs/dbraw/zinc/03/95/70/207039570.db2.gz SUHLNUCJAAQWEM-RTBURBONSA-N -1 0 353.418 4.095 50 0 FIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1 ZINC000004581233 207029998 /nfs/dbraw/zinc/02/99/98/207029998.db2.gz GXJVUSKLBRBDDC-QGZVFWFLSA-N -1 0 361.825 4.073 50 0 FIAARM CCOC(=O)c1cc2cc(-c3c(C)oc4cc([O-])ccc4c3=O)ccc2o1 ZINC000005444392 207100207 /nfs/dbraw/zinc/10/02/07/207100207.db2.gz FZNGXCQXQMBDMG-UHFFFAOYSA-N -1 0 364.353 4.397 50 0 biogenic FIAARM CCCc1cc2c(cc1O[C@@H](C)C(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000005554510 207105002 /nfs/dbraw/zinc/10/50/02/207105002.db2.gz WSRJTPDVTHDDLA-ZDUSSCGKSA-N -1 0 352.386 4.264 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000005601158 207107662 /nfs/dbraw/zinc/10/76/62/207107662.db2.gz UMICSKDLAZJQQS-HUUCEWRRSA-N -1 0 358.463 4.256 50 0 FIAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 ZINC000005945874 207124355 /nfs/dbraw/zinc/12/43/55/207124355.db2.gz JZERBCQORPSAJH-UHFFFAOYSA-N -1 0 366.417 4.156 50 0 FIAARM CCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])cc1OCC ZINC000006850829 207173112 /nfs/dbraw/zinc/17/31/12/207173112.db2.gz MFJHBYXULFUQOJ-UHFFFAOYSA-N -1 0 363.797 4.088 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)on1 ZINC000007005537 207182611 /nfs/dbraw/zinc/18/26/11/207182611.db2.gz SRJOKEVLSJYELW-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000007604003 207199848 /nfs/dbraw/zinc/19/98/48/207199848.db2.gz FDWACAHUDANAFV-UHFFFAOYSA-N -1 0 369.186 4.264 50 0 FIAARM CCc1ccc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007749652 207204872 /nfs/dbraw/zinc/20/48/72/207204872.db2.gz BQEOFTZQVOAPMC-SFQUDFHCSA-N -1 0 358.441 4.481 50 0 FIAARM O=C1[N-]C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 ZINC000009109630 207256213 /nfs/dbraw/zinc/25/62/13/207256213.db2.gz VYDFGTMLMVHWMD-NDENLUEZSA-N -1 0 367.408 4.023 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)s2)n[nH]1 ZINC000009686571 207281258 /nfs/dbraw/zinc/28/12/58/207281258.db2.gz VTBSSDUMCGNHJH-UHFFFAOYSA-N -1 0 371.846 4.040 50 0 FIAARM Cc1cccc(-n2nc(-c3ccc(Br)cc3)cc2C(=O)[O-])c1 ZINC000025762674 207903596 /nfs/dbraw/zinc/90/35/96/207903596.db2.gz CTHSNEVVEGLSGW-UHFFFAOYSA-N -1 0 357.207 4.308 50 0 FIAARM Cc1cc(S(=O)(=O)[N-]c2ccccn2)c(C(C)C)cc1Br ZINC000032602035 208032867 /nfs/dbraw/zinc/03/28/67/208032867.db2.gz YYOTUROTMUPKRC-UHFFFAOYSA-N -1 0 369.284 4.077 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@H]1c1nnc(CSc2ccc(Cl)cc2)o1 ZINC000032937978 208059978 /nfs/dbraw/zinc/05/99/78/208059978.db2.gz YTOYVXIOHPTPQD-CHWSQXEVSA-N -1 0 350.827 4.150 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000032971305 208061227 /nfs/dbraw/zinc/06/12/27/208061227.db2.gz RHLFSXDCGRNJJO-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000032971304 208061513 /nfs/dbraw/zinc/06/15/13/208061513.db2.gz SNFKSHDLAMLHBO-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM CCSc1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000033298854 208082697 /nfs/dbraw/zinc/08/26/97/208082697.db2.gz KDAZZXDSMOXZLH-UHFFFAOYSA-N -1 0 368.480 4.348 50 0 FIAARM O=C([O-])c1c2cc(Cl)ccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000035287469 208122456 /nfs/dbraw/zinc/12/24/56/208122456.db2.gz HCOHYPGUXXEQAZ-UHFFFAOYSA-N -1 0 352.821 4.145 50 0 FIAARM Cc1ccc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035142029 208119329 /nfs/dbraw/zinc/11/93/29/208119329.db2.gz HWPYXNZTJGFSAT-BBRMVZONSA-N -1 0 359.853 4.475 50 0 FIAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000035142341 208119811 /nfs/dbraw/zinc/11/98/11/208119811.db2.gz WPOZRAXLPOUEII-RDTXWAMCSA-N -1 0 359.853 4.475 50 0 FIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cccc(Cl)c2C)c1=O ZINC000049409505 208417347 /nfs/dbraw/zinc/41/73/47/208417347.db2.gz UCOFIBKSUBZKNR-UHFFFAOYSA-N -1 0 362.838 4.003 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)c1C ZINC000065031234 208631504 /nfs/dbraw/zinc/63/15/04/208631504.db2.gz VUDYICNTFKSHDW-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC)cc1 ZINC000064820675 208624151 /nfs/dbraw/zinc/62/41/51/208624151.db2.gz LDLZSWWNMZKATL-UHFFFAOYSA-N -1 0 370.449 4.272 50 0 FIAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1Cc1cccnc1 ZINC000065428964 208679782 /nfs/dbraw/zinc/67/97/82/208679782.db2.gz ATXZGPRWQQYFLT-UHFFFAOYSA-N -1 0 355.397 4.359 50 0 FIAARM CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000096013477 209096963 /nfs/dbraw/zinc/09/69/63/209096963.db2.gz WAVMVMSQKOPJND-AWEZNQCLSA-N -1 0 362.470 4.131 50 0 FIAARM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000095459314 209053875 /nfs/dbraw/zinc/05/38/75/209053875.db2.gz HENXMFXTEPNZKH-PIGZYNQJSA-N -1 0 372.446 4.005 50 0 FIAARM O=C([O-])[C@]1(CCc2ccccc2)CCCN(c2nccc3occc32)C1 ZINC000071707750 136139715 /nfs/dbraw/zinc/13/97/15/136139715.db2.gz AQKSCLQAHBPEBM-NRFANRHFSA-N -1 0 350.418 4.132 50 0 FIAARM CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CCCC1)c2=O ZINC000002971695 263327213 /nfs/dbraw/zinc/32/72/13/263327213.db2.gz RHLRIDAGTSOYGO-UHFFFAOYSA-N -1 0 359.495 4.094 50 0 FIAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000000754853 568181466 /nfs/dbraw/zinc/18/14/66/568181466.db2.gz YTWOZNGJONKVTQ-UHFFFAOYSA-N -1 0 359.447 4.233 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000797230 568243578 /nfs/dbraw/zinc/24/35/78/568243578.db2.gz XMAUTJPFCQTDOW-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM O=C([O-])c1ccc(-n2c(/C=C/c3ccsc3)nc3ccccc3c2=O)cc1 ZINC000007784908 568255851 /nfs/dbraw/zinc/25/58/51/568255851.db2.gz AWVOMUAUUXMCTF-BJMVGYQFSA-N -1 0 374.421 4.316 50 0 FIAARM O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000033808675 568549478 /nfs/dbraw/zinc/54/94/78/568549478.db2.gz BRSFICHPYPIZNC-XNTDXEJSSA-N -1 0 364.455 4.263 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc2ccccc21)C(=O)[O-] ZINC000000621879 570438181 /nfs/dbraw/zinc/43/81/81/570438181.db2.gz BWZACKVIUSVDGM-NRFANRHFSA-N -1 0 355.434 4.237 50 0 FIAARM O=C([O-])c1ccccc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000717943 570452531 /nfs/dbraw/zinc/45/25/31/570452531.db2.gz WQHQRLBLRGHAGE-UHFFFAOYSA-N -1 0 355.337 4.134 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000753344 570454859 /nfs/dbraw/zinc/45/48/59/570454859.db2.gz UDNJVKGSNHZGNQ-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000991209 570468734 /nfs/dbraw/zinc/46/87/34/570468734.db2.gz SNRATQFBTLMJHB-QZTJIDSGSA-N -1 0 351.402 4.393 50 0 FIAARM COc1cccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1OC(F)F ZINC000072312329 570523421 /nfs/dbraw/zinc/52/34/21/570523421.db2.gz DVWSQYUNRUFTKS-KQQUZDAGSA-N -1 0 353.346 4.021 50 0 FIAARM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560004 570524898 /nfs/dbraw/zinc/52/48/98/570524898.db2.gz BUJQSIPFDWLNDC-HXUWFJFHSA-N -1 0 367.445 4.367 50 0 FIAARM CC(C)C[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583186 570525739 /nfs/dbraw/zinc/52/57/39/570525739.db2.gz LKQDQIGTIVQHMG-QFIPXVFZSA-N -1 0 367.445 4.415 50 0 FIAARM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1(C)CC1 ZINC000228587372 570618800 /nfs/dbraw/zinc/61/88/00/570618800.db2.gz BWXDHPOWSGRCFW-QFIPXVFZSA-N -1 0 365.429 4.169 50 0 FIAARM O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061718682 570632428 /nfs/dbraw/zinc/63/24/28/570632428.db2.gz QAFCZQRQOGVKNZ-UHFFFAOYSA-N -1 0 359.385 4.100 50 0 FIAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000005578047 570677378 /nfs/dbraw/zinc/67/73/78/570677378.db2.gz DNKHBTREYGYGSF-JTQLQIEISA-N -1 0 368.216 4.406 50 0 FIAARM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Br)cc2)s1 ZINC000000972644 570762991 /nfs/dbraw/zinc/76/29/91/570762991.db2.gz JYSKVVWUGGKYGK-UHFFFAOYSA-N -1 0 354.225 4.024 50 0 FIAARM O=c1cc([O-])c2sc3nc(C(F)(F)F)c4c(c3c2[nH]1)CCCCC4 ZINC000018066544 570807058 /nfs/dbraw/zinc/80/70/58/570807058.db2.gz BKSMOTMNWVIWPR-UHFFFAOYSA-N -1 0 354.353 4.131 50 0 FIAARM O=c1c2sc3ncccc3c2[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000101275625 570818228 /nfs/dbraw/zinc/81/82/28/570818228.db2.gz UKTFIDQLEXEKOV-UHFFFAOYSA-N -1 0 359.863 4.370 50 0 FIAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1Cc1ccncc1 ZINC000017075124 570866887 /nfs/dbraw/zinc/86/68/87/570866887.db2.gz NFXRIVMYUOJTJQ-UHFFFAOYSA-N -1 0 365.483 4.155 50 0 FIAARM Cc1sc2[nH]c(=S)n(-c3cc(Cl)c([O-])c(Cl)c3)c(=O)c2c1C ZINC000017076400 570868306 /nfs/dbraw/zinc/86/83/06/570868306.db2.gz CTZOESIHIKXZSC-UHFFFAOYSA-N -1 0 373.286 4.365 50 0 FIAARM CC1(C)Cc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000018107394 570875027 /nfs/dbraw/zinc/87/50/27/570875027.db2.gz YXVJROUYSNWFDB-UHFFFAOYSA-N -1 0 358.488 4.020 50 0 FIAARM CC(C)(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000044831654 571102093 /nfs/dbraw/zinc/10/20/93/571102093.db2.gz JNYZWIAAJJHSFW-UHFFFAOYSA-N -1 0 353.418 4.026 50 0 FIAARM COc1ccc(OC)c(-c2noc([N-]c3cc(Cl)ccc3OC)n2)c1 ZINC000015680423 571103750 /nfs/dbraw/zinc/10/37/50/571103750.db2.gz XSIQJVRNQQFHMD-UHFFFAOYSA-N -1 0 361.785 4.159 50 0 FIAARM N#Cc1c([O-])c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O ZINC000101774121 571142919 /nfs/dbraw/zinc/14/29/19/571142919.db2.gz VETSDIJERJUOJL-AWEZNQCLSA-N -1 0 360.394 4.062 50 0 FIAARM O=S(=O)([N-]c1nnc(CCC2CCCC2)s1)c1ccc(Cl)cc1 ZINC000071770937 571166262 /nfs/dbraw/zinc/16/62/62/571166262.db2.gz YLWJDBIJVXHSDW-UHFFFAOYSA-N -1 0 371.915 4.115 50 0 FIAARM CCOc1ccc(-c2ccnc(N[C@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000071775952 571166546 /nfs/dbraw/zinc/16/65/46/571166546.db2.gz OPZVBCTYRUWAPX-CQSZACIVSA-N -1 0 363.417 4.414 50 0 FIAARM CCCc1cc2c(cc1[O-])oc(CC)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005904268 571204528 /nfs/dbraw/zinc/20/45/28/571204528.db2.gz QARKTTBQZMQACQ-UHFFFAOYSA-N -1 0 366.413 4.452 50 0 biogenic FIAARM CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000004912838 571213859 /nfs/dbraw/zinc/21/38/59/571213859.db2.gz ZKPSTNOENWFZGP-UHFFFAOYSA-N -1 0 354.189 4.343 50 0 FIAARM O=C([O-])[C@@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000080987593 571225376 /nfs/dbraw/zinc/22/53/76/571225376.db2.gz WVJOHQNQAXAVJQ-FQEVSTJZSA-N -1 0 365.429 4.265 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2cccc(F)c2)cc1 ZINC000064757517 571241338 /nfs/dbraw/zinc/24/13/38/571241338.db2.gz MPERPKYLTLQNCY-UHFFFAOYSA-N -1 0 357.410 4.074 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064947028 571247237 /nfs/dbraw/zinc/24/72/37/571247237.db2.gz VMCPNXOVEXIEAK-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064947022 571247312 /nfs/dbraw/zinc/24/73/12/571247312.db2.gz VPPSWQVTWQBHGP-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)o1 ZINC000065003838 571250107 /nfs/dbraw/zinc/25/01/07/571250107.db2.gz SQYYAKXMQJNRDT-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1 ZINC000065031240 571250872 /nfs/dbraw/zinc/25/08/72/571250872.db2.gz NTFIPVFCDHJJPI-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)c1C ZINC000065031295 571250897 /nfs/dbraw/zinc/25/08/97/571250897.db2.gz SJHLQVQOLDWTTF-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Cl)cc1F ZINC000007052614 571259485 /nfs/dbraw/zinc/25/94/85/571259485.db2.gz AUDOCNZUZFQCEP-UHFFFAOYSA-N -1 0 364.623 4.042 50 0 FIAARM O=C([O-])CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC1 ZINC000088048715 571275436 /nfs/dbraw/zinc/27/54/36/571275436.db2.gz JERZVJBCJPCNQU-UHFFFAOYSA-N -1 0 365.429 4.170 50 0 FIAARM CCCN(CC1CC1)C(=O)c1ccc(-c2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC000584895819 571315337 /nfs/dbraw/zinc/31/53/37/571315337.db2.gz UCOQSCXGODMAIE-UHFFFAOYSA-N -1 0 366.461 4.326 50 0 FIAARM CC(C)CSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000002312653 571317780 /nfs/dbraw/zinc/31/77/80/571317780.db2.gz AZLDKMCVGIGDSK-UHFFFAOYSA-N -1 0 354.431 4.171 50 0 FIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccccc4)cc(C(=O)[O-])c32)cc1 ZINC000013363472 571323310 /nfs/dbraw/zinc/32/33/10/571323310.db2.gz ZMUGXSDJOMMMCN-UHFFFAOYSA-N -1 0 359.385 4.389 50 0 FIAARM COc1cc(Nc2ccnc3cc(Cl)ccc32)c(C(=O)[O-])cc1OC ZINC000019594940 571326697 /nfs/dbraw/zinc/32/66/97/571326697.db2.gz RDBBYXDGMRAAHB-UHFFFAOYSA-N -1 0 358.781 4.347 50 0 FIAARM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1Cl ZINC000028051456 571337767 /nfs/dbraw/zinc/33/77/67/571337767.db2.gz ZMSXBPGNPVGSNU-UHFFFAOYSA-N -1 0 351.642 4.151 50 0 FIAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncnc2sccc21 ZINC000002642013 571339916 /nfs/dbraw/zinc/33/99/16/571339916.db2.gz FFTAPMVCIQKHFL-UHFFFAOYSA-N -1 0 361.492 4.098 50 0 FIAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C)cc3)c(=O)c2cc1OCC ZINC000003010177 571343448 /nfs/dbraw/zinc/34/34/48/571343448.db2.gz YOIWKNSDIPUVRW-UHFFFAOYSA-N -1 0 370.474 4.213 50 0 FIAARM C[C@H]1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000227731913 939043508 /nfs/dbraw/zinc/04/35/08/939043508.db2.gz BGHLFNKMTFSTHH-RCDICMHDSA-N -1 0 365.429 4.169 50 0 FIAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000950757273 939809840 /nfs/dbraw/zinc/80/98/40/939809840.db2.gz OBYJYJZZIQAIPM-FZKQIMNGSA-N -1 0 353.846 4.031 50 0 FIAARM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc(Cl)cc3)sc2[C@H](C)O1 ZINC000888096051 1086768179 /nfs/dbraw/zinc/76/81/79/1086768179.db2.gz QFJOSRQLODPZNA-IUCAKERBSA-N -1 0 365.838 4.374 50 0 FIAARM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC[C@@H](Nc2ccccc2)C1 ZINC000080023212 1089998698 /nfs/dbraw/zinc/99/86/98/1089998698.db2.gz HRIGQAFIBVVHDO-CYBMUJFWSA-N -1 0 351.233 4.026 50 0 FIAARM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000254523278 1114201479 /nfs/dbraw/zinc/20/14/79/1114201479.db2.gz XOOJLYGQYIKEGA-UHFFFAOYSA-N -1 0 362.433 4.001 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(F)c2)C1 ZINC000033466834 1122544504 /nfs/dbraw/zinc/54/45/04/1122544504.db2.gz MPFXSTBXNRRVKA-GDNBJRDFSA-N -1 0 362.404 4.448 50 0 FIAARM CCOC(=O)c1csc([N-]c2nc3ccc(SC)cc3s2)n1 ZINC000005122789 209437974 /nfs/dbraw/zinc/43/79/74/209437974.db2.gz GPGBWPMCMNMARX-UHFFFAOYSA-N -1 0 351.478 4.395 50 0 FIAARM COc1ccc2sc([N-]c3nnc(-c4cccc(OC)c4)o3)nc2c1 ZINC000005122886 209437811 /nfs/dbraw/zinc/43/78/11/209437811.db2.gz WPVHMTIJQBBVQG-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM O=C([O-])c1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 ZINC000238016019 209358478 /nfs/dbraw/zinc/35/84/78/209358478.db2.gz LTLOMKPEYAFKHB-UHFFFAOYSA-N -1 0 372.471 4.076 50 0 FIAARM CCOc1ccc(Cl)cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000048382482 209332207 /nfs/dbraw/zinc/33/22/07/209332207.db2.gz ZYVOZCIDTKRLOY-LJQANCHMSA-N -1 0 361.825 4.110 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000100602458 209215181 /nfs/dbraw/zinc/21/51/81/209215181.db2.gz IVGXJRWKQWYHIP-UHFFFAOYSA-N -1 0 364.445 4.376 50 0 FIAARM O=c1c2sc(-c3ccccc3)cc2[n-]c(=S)n1Cc1ccccc1 ZINC000100433234 209213921 /nfs/dbraw/zinc/21/39/21/209213921.db2.gz XVUVTVUDOMMYAD-UHFFFAOYSA-N -1 0 350.468 4.462 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Br)cc1F ZINC000098072698 209204976 /nfs/dbraw/zinc/20/49/76/209204976.db2.gz ZJYSRTPNFGFMFD-UHFFFAOYSA-N -1 0 364.623 4.042 50 0 FIAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3csc4ccccc34)nc(=O)c12 ZINC000096931797 209162530 /nfs/dbraw/zinc/16/25/30/209162530.db2.gz POIPTDDUVUBVMW-SREVYHEPSA-N -1 0 368.439 4.376 50 0 FIAARM CCC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000096839046 209158839 /nfs/dbraw/zinc/15/88/39/209158839.db2.gz KTFMEQGAIAYJMN-LJQANCHMSA-N -1 0 367.445 4.415 50 0 FIAARM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(Cl)cc3)nc2c1 ZINC000096759340 209158057 /nfs/dbraw/zinc/15/80/57/209158057.db2.gz DTCFJRLCQULDDZ-NTUHNPAUSA-N -1 0 361.184 4.424 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)s2)n[nH]1 ZINC000096341442 209151379 /nfs/dbraw/zinc/15/13/79/209151379.db2.gz ZNUVHDFYUITYLH-UHFFFAOYSA-N -1 0 367.883 4.209 50 0 FIAARM CC(=O)Nc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000033462739 206811814 /nfs/dbraw/zinc/81/18/14/206811814.db2.gz BVTQBGYIXNILNS-UVTDQMKNSA-N -1 0 352.415 4.270 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])n2)c(C)c1 ZINC000001199910 206867522 /nfs/dbraw/zinc/86/75/22/206867522.db2.gz LSTGYEAPORVPFO-CABCVRRESA-N -1 0 358.463 4.256 50 0 FIAARM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000002310516 206909917 /nfs/dbraw/zinc/90/99/17/206909917.db2.gz XTYVIHBWMOVESC-LBPRGKRZSA-N -1 0 352.217 4.266 50 0 FIAARM O=C([O-])c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F ZINC000003880178 206991895 /nfs/dbraw/zinc/99/18/95/206991895.db2.gz MTSSIDJMQWKVKU-UHFFFAOYSA-N -1 0 373.743 4.366 50 0 FIAARM CCN(C(=O)Cc1c2ccccc2n(CC)c1C(=O)[O-])c1cccc(C)c1 ZINC000004116192 207001274 /nfs/dbraw/zinc/00/12/74/207001274.db2.gz BUHGNEBFRRRILG-UHFFFAOYSA-N -1 0 364.445 4.263 50 0 FIAARM Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)[O-])cs2)cc1 ZINC000004478105 207021453 /nfs/dbraw/zinc/02/14/53/207021453.db2.gz RDKOICWNBKQNJY-UHFFFAOYSA-N -1 0 353.325 4.021 50 0 FIAARM O=C([O-])Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)c(O)c(=O)c2c1 ZINC000004528974 207025479 /nfs/dbraw/zinc/02/54/79/207025479.db2.gz YHOZDLYYCYXKEK-UHFFFAOYSA-N -1 0 365.168 4.100 50 0 FIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000004601053 207032112 /nfs/dbraw/zinc/03/21/12/207032112.db2.gz DVDKPAYTTCEFAU-QGZVFWFLSA-N -1 0 361.825 4.073 50 0 FIAARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000004675753 207037428 /nfs/dbraw/zinc/03/74/28/207037428.db2.gz QRQABIYYCZKCRU-UHFFFAOYSA-N -1 0 374.824 4.275 50 0 FIAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698263 207039176 /nfs/dbraw/zinc/03/91/76/207039176.db2.gz JTMRLNZDPKUKND-QOUGREHBSA-N -1 0 369.505 4.214 50 0 FIAARM CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000004704807 207040103 /nfs/dbraw/zinc/04/01/03/207040103.db2.gz ZGAQMUNMGQVWMJ-OQLLNIDSSA-N -1 0 357.387 4.090 50 0 FIAARM CC1=C(C)C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000005017675 207072785 /nfs/dbraw/zinc/07/27/85/207072785.db2.gz ZBXDILHDMKPLCT-VQTJNVASSA-N -1 0 363.457 4.339 50 0 FIAARM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000005602531 207107910 /nfs/dbraw/zinc/10/79/10/207107910.db2.gz LWRMNQJOPVSRNW-UHFFFAOYSA-N -1 0 357.834 4.283 50 0 FIAARM O=c1c2cc(-c3cccs3)c(C(F)(F)F)[n-]c-2nn1-c1ccccc1 ZINC000006229439 207134365 /nfs/dbraw/zinc/13/43/65/207134365.db2.gz FNPHVXJHPGNOGK-UHFFFAOYSA-N -1 0 361.348 4.461 50 0 FIAARM Cc1ccsc1/C=C1\CN(C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000006223476 207134439 /nfs/dbraw/zinc/13/44/39/207134439.db2.gz MSXIHHSHRIPLMZ-UKTHLTGXSA-N -1 0 350.443 4.289 50 0 FIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000006839464 207170850 /nfs/dbraw/zinc/17/08/50/207170850.db2.gz CPWFDXFHWXTUBX-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000008106166 207219820 /nfs/dbraw/zinc/21/98/20/207219820.db2.gz KBTWCUPIFPUSCW-UHFFFAOYSA-N -1 0 371.714 4.438 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1 ZINC000008608300 207239890 /nfs/dbraw/zinc/23/98/90/207239890.db2.gz INHPPDKPRLUPEU-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM Cc1ccccc1NC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1C ZINC000008997170 207254672 /nfs/dbraw/zinc/25/46/72/207254672.db2.gz AEQXQMCXNKOUAI-UHFFFAOYSA-N -1 0 359.389 4.231 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)c1C ZINC000009686763 207281652 /nfs/dbraw/zinc/28/16/52/207281652.db2.gz QDJSMCQRIGESNI-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)s1 ZINC000011917415 207329376 /nfs/dbraw/zinc/32/93/76/207329376.db2.gz CXCGDODDINWWOA-UHFFFAOYSA-N -1 0 360.464 4.256 50 0 FIAARM O=C([O-])Cn1nc(C2CC2)c2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000012395260 207370681 /nfs/dbraw/zinc/37/06/81/207370681.db2.gz GOCXHLAVUJQLGO-UHFFFAOYSA-N -1 0 367.352 4.141 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccccc1Cl ZINC000012525938 207385846 /nfs/dbraw/zinc/38/58/46/207385846.db2.gz KHHIFJPRZZPYSF-UHFFFAOYSA-N -1 0 351.733 4.039 50 0 FIAARM O=c1c2ccccc2[n-]c(=S)n1Cc1csc(-c2ccccc2)n1 ZINC000012537366 207389180 /nfs/dbraw/zinc/38/91/80/207389180.db2.gz QEQANFNSBARVEV-UHFFFAOYSA-N -1 0 351.456 4.231 50 0 FIAARM COc1cccc(-c2[nH]nc3nc(-c4ccccc4F)cc(C(=O)[O-])c32)c1 ZINC000013363561 207459150 /nfs/dbraw/zinc/45/91/50/207459150.db2.gz FHQLLUXFOYZDON-UHFFFAOYSA-N -1 0 363.348 4.138 50 0 FIAARM O=C([O-])CC1(CC(=O)Nc2nc(-c3cccs3)cs2)CCCC1 ZINC000017072743 207606268 /nfs/dbraw/zinc/60/62/68/207606268.db2.gz GWBCUXNVIRAJSR-UHFFFAOYSA-N -1 0 350.465 4.235 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000031356637 208011798 /nfs/dbraw/zinc/01/17/98/208011798.db2.gz MLKXDPUZXIRXEP-SFEFPRELSA-N -1 0 356.418 4.366 50 0 in-vitro FIAARM CCC(CC)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000039959775 208213218 /nfs/dbraw/zinc/21/32/18/208213218.db2.gz SHDUOAKEZPAHOK-FQEVSTJZSA-N -1 0 367.445 4.415 50 0 FIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cc(-c2ccno2)cs1 ZINC000044900574 208319435 /nfs/dbraw/zinc/31/94/35/208319435.db2.gz GRFWZLRBOMHPHC-UHFFFAOYSA-N -1 0 374.365 4.223 50 0 FIAARM CCCN(CCC)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053374 208357099 /nfs/dbraw/zinc/35/70/99/208357099.db2.gz GHHDKSKOMSJUAH-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM Cc1noc(C)c1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000061720439 208598815 /nfs/dbraw/zinc/59/88/15/208598815.db2.gz BGEAGRJJVKBLAV-GFCCVEGCSA-N -1 0 368.414 4.192 50 0 FIAARM CC(C)n1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000065112488 208634297 /nfs/dbraw/zinc/63/42/97/208634297.db2.gz QLIZTIHPVZFZJC-UHFFFAOYSA-N -1 0 365.455 4.132 50 0 FIAARM O=C(Nc1cccc(Cl)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150366 221172895 /nfs/dbraw/zinc/17/28/95/221172895.db2.gz RQSVVFHJHGDMBM-UHFFFAOYSA-N -1 0 374.849 4.080 50 0 FIAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])C1 ZINC000046053437 136121996 /nfs/dbraw/zinc/12/19/96/136121996.db2.gz DCXKICSINZJJDD-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588769 136133371 /nfs/dbraw/zinc/13/33/71/136133371.db2.gz VQFRXYXXNOZVHE-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc2n1C ZINC000000693789 525519749 /nfs/dbraw/zinc/51/97/49/525519749.db2.gz JHLVJGHTXZTVRU-LDADJPATSA-N -1 0 373.412 4.302 50 0 FIAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1cccc2cccnc21 ZINC000000635274 527249661 /nfs/dbraw/zinc/24/96/61/527249661.db2.gz MMRMMXVTDBOYTG-UHFFFAOYSA-N -1 0 367.474 4.026 50 0 FIAARM Cc1csc([N-]c2nccc(-c3sc(-c4cccnc4)nc3C)n2)n1 ZINC000221596269 568425331 /nfs/dbraw/zinc/42/53/31/568425331.db2.gz QGNWVJPMILLZRW-UHFFFAOYSA-N -1 0 366.475 4.479 50 0 FIAARM CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000076873 570437748 /nfs/dbraw/zinc/43/77/48/570437748.db2.gz DWBNHRYMVNUCHH-UHFFFAOYSA-N -1 0 350.374 4.162 50 0 FIAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc(Cl)cc1 ZINC000001168536 570486806 /nfs/dbraw/zinc/48/68/06/570486806.db2.gz DOANSGVBKXKCKV-UHFFFAOYSA-N -1 0 368.820 4.210 50 0 FIAARM O=C([O-])CS[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001402940 570498914 /nfs/dbraw/zinc/49/89/14/570498914.db2.gz AZXVFONRSBZTLA-OAHLLOKOSA-N -1 0 370.257 4.491 50 0 FIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(/C=C\c3ccccc3)cc1)C2=O ZINC000006111253 570518937 /nfs/dbraw/zinc/51/89/37/570518937.db2.gz PCDUFLVMNKKWPZ-SREVYHEPSA-N -1 0 369.376 4.356 50 0 FIAARM COc1ccc2ccccc2c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233829 570536200 /nfs/dbraw/zinc/53/62/00/570536200.db2.gz OFLBYJOSQVJXDN-MAUKXSAKSA-N -1 0 371.433 4.026 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c2c1CC(C)(C)O2 ZINC000003997672 570572666 /nfs/dbraw/zinc/57/26/66/570572666.db2.gz QZPHHVQHIHSOTN-UHFFFAOYSA-N -1 0 351.855 4.163 50 0 FIAARM CC(C)(C)c1ccc(O)c(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000012793645 570762266 /nfs/dbraw/zinc/76/22/66/570762266.db2.gz HMXZPBUXUITMAV-OAHLLOKOSA-N -1 0 359.397 4.026 50 0 FIAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001158225 570763839 /nfs/dbraw/zinc/76/38/39/570763839.db2.gz MFHHUVRGGRBTNI-DHZHZOJOSA-N -1 0 368.458 4.035 50 0 FIAARM COc1cccc(-c2nc3ccccc3c(N3C[C@H](C)C[C@@H](C)C3)n2)c1[O-] ZINC000013127747 570774257 /nfs/dbraw/zinc/77/42/57/570774257.db2.gz FXGZOASXLBHBHB-HUUCEWRRSA-N -1 0 363.461 4.493 50 0 FIAARM O=C([O-])c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1 ZINC000004478106 570792909 /nfs/dbraw/zinc/79/29/09/570792909.db2.gz MCACTHMKTWOIQV-UHFFFAOYSA-N -1 0 373.743 4.366 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013945744 570799001 /nfs/dbraw/zinc/79/90/01/570799001.db2.gz QNYPPFUZBOZZHC-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM O=C([O-])[C@H](CC1CCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632634 570821385 /nfs/dbraw/zinc/82/13/85/570821385.db2.gz FOJRBUNCWCPLNH-FQEVSTJZSA-N -1 0 365.429 4.169 50 0 FIAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCCn1ccnc1 ZINC000017075611 570867434 /nfs/dbraw/zinc/86/74/34/570867434.db2.gz QAONRTLPPLHDEA-UHFFFAOYSA-N -1 0 368.487 4.074 50 0 FIAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cccn1)c1ccc(Cl)s1 ZINC000071977554 570913419 /nfs/dbraw/zinc/91/34/19/570913419.db2.gz SBJXYYDSTBWFBL-UHFFFAOYSA-N -1 0 374.274 4.041 50 0 FIAARM O=C([O-])c1cc(/C=C/c2ccncc2)nc2ccc(Br)cc21 ZINC000022142371 570940406 /nfs/dbraw/zinc/94/04/06/570940406.db2.gz KKNHYSSJHQAITJ-HNQUOIGGSA-N -1 0 355.191 4.261 50 0 FIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C ZINC000027822772 571021911 /nfs/dbraw/zinc/02/19/11/571021911.db2.gz UTFBEOLXVBNQKZ-UHFFFAOYSA-N -1 0 354.859 4.023 50 0 FIAARM CCCCOc1cc(S(=O)(=O)[N-]c2ncccc2C)ccc1Cl ZINC000027823876 571022381 /nfs/dbraw/zinc/02/23/81/571022381.db2.gz NWUZZMFUWXCIRN-UHFFFAOYSA-N -1 0 354.859 4.023 50 0 FIAARM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)c1 ZINC000225394268 571032830 /nfs/dbraw/zinc/03/28/30/571032830.db2.gz XBWPFZXMFPDMDP-UHFFFAOYSA-N -1 0 364.898 4.210 50 0 FIAARM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000012409193 571093555 /nfs/dbraw/zinc/09/35/55/571093555.db2.gz JTUVEVPYLWRGKY-UHFFFAOYSA-N -1 0 372.490 4.048 50 0 FIAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)c1 ZINC000015677210 571102788 /nfs/dbraw/zinc/10/27/88/571102788.db2.gz AFCMBWQZZXRPGP-UHFFFAOYSA-N -1 0 363.348 4.138 50 0 FIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000010512218 571127857 /nfs/dbraw/zinc/12/78/57/571127857.db2.gz WZZTXEJSPRXKKN-UHFFFAOYSA-N -1 0 357.456 4.419 50 0 FIAARM COc1ccc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)cc1C ZINC000000955928 571140356 /nfs/dbraw/zinc/14/03/56/571140356.db2.gz WGVYZPSMMZILRD-UHFFFAOYSA-N -1 0 356.403 4.275 50 0 FIAARM CCn1cncc1Cn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065432818 571143436 /nfs/dbraw/zinc/14/34/36/571143436.db2.gz IDJMMXYXFFLGDL-UHFFFAOYSA-N -1 0 372.428 4.180 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1ccc(OC2CCCC2)cc1 ZINC000004689325 571161602 /nfs/dbraw/zinc/16/16/02/571161602.db2.gz XZCKYLGVXUYLJU-LJQANCHMSA-N -1 0 359.466 4.220 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn3c(n2)CCCC3)s1 ZINC000575619808 571172352 /nfs/dbraw/zinc/17/23/52/571172352.db2.gz MEWGRMOFXLKSPR-UHFFFAOYSA-N -1 0 373.503 4.057 50 0 FIAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000003864998 571187940 /nfs/dbraw/zinc/18/79/40/571187940.db2.gz NTRMEISKYMPYHK-GOSISDBHSA-N -1 0 370.836 4.273 50 0 FIAARM CCCCCCOc1ccccc1C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000252625853 571204410 /nfs/dbraw/zinc/20/44/10/571204410.db2.gz QQLMPIUIHJJUAZ-UHFFFAOYSA-N -1 0 368.433 4.108 50 0 FIAARM O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000077407670 571210467 /nfs/dbraw/zinc/21/04/67/571210467.db2.gz JTRZMINGHCDQEM-QGZVFWFLSA-N -1 0 371.864 4.100 50 0 FIAARM Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1Cl ZINC000084847595 571233195 /nfs/dbraw/zinc/23/31/95/571233195.db2.gz DEQAZLUUMQVIBJ-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2cccc(F)c2)cc1C ZINC000064757564 571241385 /nfs/dbraw/zinc/24/13/85/571241385.db2.gz SBANJVFKALYRGV-UHFFFAOYSA-N -1 0 371.437 4.382 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)o1 ZINC000065003840 571250041 /nfs/dbraw/zinc/25/00/41/571250041.db2.gz JUVOVMOKHMTBBO-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCc1ccc(/N=C2\S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000002140109 571250166 /nfs/dbraw/zinc/25/01/66/571250166.db2.gz MJOBUCCHOSZYLY-RRZDCZAYSA-N -1 0 366.442 4.181 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1 ZINC000065031336 571250916 /nfs/dbraw/zinc/25/09/16/571250916.db2.gz HJYKABSSOQGSGU-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c2cccnc21 ZINC000065242351 571257689 /nfs/dbraw/zinc/25/76/89/571257689.db2.gz ABSVSNDQIMTGIC-UHFFFAOYSA-N -1 0 361.442 4.085 50 0 FIAARM O=C([O-])c1cccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)c1 ZINC000065322793 571261757 /nfs/dbraw/zinc/26/17/57/571261757.db2.gz WRRXCDOXPXSMCO-UHFFFAOYSA-N -1 0 364.792 4.492 50 0 FIAARM CCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000248319871 571291264 /nfs/dbraw/zinc/29/12/64/571291264.db2.gz RHGCCTDOGPUFRI-VNTMZGSJSA-N -1 0 350.414 4.004 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000013391070 571323373 /nfs/dbraw/zinc/32/33/73/571323373.db2.gz PNWWORNLXOCJOT-SNVBAGLBSA-N -1 0 368.216 4.406 50 0 FIAARM CCOc1ccc(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)cc1 ZINC000019793886 571327347 /nfs/dbraw/zinc/32/73/47/571327347.db2.gz UDRKMRWIIZRVPV-UHFFFAOYSA-N -1 0 356.809 4.459 50 0 FIAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(-c2ccc(F)cc2)n1 ZINC000028577164 571339788 /nfs/dbraw/zinc/33/97/88/571339788.db2.gz JHKLXZJOFBNJFT-UHFFFAOYSA-N -1 0 373.453 4.244 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000003343773 571347863 /nfs/dbraw/zinc/34/78/63/571347863.db2.gz CPXNSSWGSZBBFK-UHFFFAOYSA-N -1 0 367.295 4.108 50 0 FIAARM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2o1 ZINC000032097541 571355755 /nfs/dbraw/zinc/35/57/55/571355755.db2.gz QYMXQKGORLABRK-UHFFFAOYSA-N -1 0 366.389 4.204 50 0 FIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)ccc1Cl ZINC000066583926 1084713500 /nfs/dbraw/zinc/71/35/00/1084713500.db2.gz ZVKDEUJIXYTEIL-BQYQJAHWSA-N -1 0 372.229 4.104 50 0 FIAARM O=C([O-])c1ccc(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000263365257 1102088265 /nfs/dbraw/zinc/08/82/65/1102088265.db2.gz VVMICHCTDXQXLB-HXUWFJFHSA-N -1 0 362.429 4.162 50 0 FIAARM O=[N+]([O-])c1ccc2oc(/C(Cl)=C\c3cc(F)c([O-])c(F)c3)nc2c1 ZINC000170656272 1115746314 /nfs/dbraw/zinc/74/63/14/1115746314.db2.gz JGCMNQDVZCWJBY-YCRREMRBSA-N -1 0 352.680 4.457 50 0 FIAARM CCOc1ccc(-n2c(=S)[n-]nc2-c2ccc(OC)c(OC)c2)cc1 ZINC000001122341 219374130 /nfs/dbraw/zinc/37/41/30/219374130.db2.gz VFLGAZXSXRQNNE-UHFFFAOYSA-N -1 0 357.435 4.013 50 0 FIAARM O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(Cl)cc1 ZINC000001146956 219380198 /nfs/dbraw/zinc/38/01/98/219380198.db2.gz IQGORPNOBQVDRM-UHFFFAOYSA-N -1 0 374.849 4.271 50 0 FIAARM O=C([O-])c1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 ZINC000008769036 209473244 /nfs/dbraw/zinc/47/32/44/209473244.db2.gz NEIYAFFVHAYMOG-UHFFFAOYSA-N -1 0 364.835 4.476 50 0 FIAARM Clc1ccc(-c2nnc([N-]c3nc4cc5c(cc4s3)OCO5)o2)cc1 ZINC000004137835 209416273 /nfs/dbraw/zinc/41/62/73/209416273.db2.gz NVSXNHUEXQJEDR-UHFFFAOYSA-N -1 0 372.793 4.472 50 0 FIAARM Cc1ccc2oc(-c3ccc(Cl)cc3)c(O[C@@H](C)C(=O)[O-])c(=O)c2c1 ZINC000001942123 209391374 /nfs/dbraw/zinc/39/13/74/209391374.db2.gz DGUBFLHVMPTWJI-NSHDSACASA-N -1 0 358.777 4.274 50 0 FIAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 ZINC000000754793 209375477 /nfs/dbraw/zinc/37/54/77/209375477.db2.gz VXLNBLVSWQUHFN-UJKMTWAASA-N -1 0 369.420 4.233 50 0 FIAARM O=C(C=C([O-])c1cccc(OC(F)F)c1)c1cccc(OC(F)F)c1 ZINC000100803388 209217827 /nfs/dbraw/zinc/21/78/27/209217827.db2.gz AJRXXBHEZIHUQS-UHFFFAOYSA-N -1 0 356.271 4.345 50 0 FIAARM CC(C)Cn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100534637 209215283 /nfs/dbraw/zinc/21/52/83/209215283.db2.gz HJBWMLHXSXQDCN-UHFFFAOYSA-N -1 0 370.836 4.269 50 0 FIAARM CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100536983 209214536 /nfs/dbraw/zinc/21/45/36/209214536.db2.gz HTNIGYJGEOWCHF-UHFFFAOYSA-N -1 0 356.809 4.023 50 0 FIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccccc2Cl)ccc1Cl ZINC000098055756 209203085 /nfs/dbraw/zinc/20/30/85/209203085.db2.gz ZVKDEUJIXYTEIL-FPLPWBNLSA-N -1 0 372.229 4.104 50 0 FIAARM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 ZINC000096837196 209158994 /nfs/dbraw/zinc/15/89/94/209158994.db2.gz ZADRZWWPZFSQFJ-FLIBITNWSA-N -1 0 356.328 4.239 50 0 FIAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000096305730 209150240 /nfs/dbraw/zinc/15/02/40/209150240.db2.gz YORXJBBETQFSJV-UHFFFAOYSA-N -1 0 362.495 4.359 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2)oc1CCNC(=S)Nc1ccccc1 ZINC000096306236 209150344 /nfs/dbraw/zinc/15/03/44/209150344.db2.gz ZWMOQMWZXVULGA-UHFFFAOYSA-N -1 0 366.442 4.174 50 0 FIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl ZINC000002637429 206925371 /nfs/dbraw/zinc/92/53/71/206925371.db2.gz ILSVFYHQAZGVIW-UHFFFAOYSA-N -1 0 369.870 4.281 50 0 FIAARM CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1 ZINC000002777917 206933239 /nfs/dbraw/zinc/93/32/39/206933239.db2.gz XNXUELOSQOEMNU-UONOGXRCSA-N -1 0 353.344 4.365 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000004241121 207009738 /nfs/dbraw/zinc/00/97/38/207009738.db2.gz VJBNWHRFTFEEAZ-KRWDZBQOSA-N -1 0 373.371 4.102 50 0 FIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000004521495 207025075 /nfs/dbraw/zinc/02/50/75/207025075.db2.gz PCJHOCNJLMFYCV-NRFANRHFSA-N -1 0 373.408 4.351 50 0 FIAARM O=C([O-])c1ccc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c1 ZINC000004517889 207025666 /nfs/dbraw/zinc/02/56/66/207025666.db2.gz UKKBZXDYLWHXLI-UHFFFAOYSA-N -1 0 358.353 4.073 50 0 FIAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005253693 207090194 /nfs/dbraw/zinc/09/01/94/207090194.db2.gz VIZPLPQXAWOQAQ-HNNXBMFYSA-N -1 0 370.257 4.491 50 0 FIAARM COC(=O)c1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000005517948 207103773 /nfs/dbraw/zinc/10/37/73/207103773.db2.gz OMPFWETVXJWFPZ-NTCAYCPXSA-N -1 0 367.426 4.488 50 0 FIAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000006767861 207162834 /nfs/dbraw/zinc/16/28/34/207162834.db2.gz DLGKEWRUZXWHTQ-UHFFFAOYSA-N -1 0 361.463 4.130 50 0 FIAARM O=C(Nc1c(=O)oc2ccccc2c1[O-])c1ccc(Cl)c(Cl)c1 ZINC000006822934 207169605 /nfs/dbraw/zinc/16/96/05/207169605.db2.gz PWAPEMBTRLCXMU-UHFFFAOYSA-N -1 0 350.157 4.058 50 0 FIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(C)C ZINC000007428386 207195695 /nfs/dbraw/zinc/19/56/95/207195695.db2.gz BLCOJXMALGQJJN-UHFFFAOYSA-N -1 0 368.886 4.366 50 0 FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(C(F)(F)F)cc1 ZINC000007709485 207204006 /nfs/dbraw/zinc/20/40/06/207204006.db2.gz IBDSXVFPRIUUIS-UHFFFAOYSA-N -1 0 352.337 4.054 50 0 FIAARM O=S(=O)([N-]c1cccc2ncccc12)c1cc(Cl)ccc1Cl ZINC000007986343 207215168 /nfs/dbraw/zinc/21/51/68/207215168.db2.gz JIZKGCYWOVMVJN-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM CC(C)c1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000008729934 207244666 /nfs/dbraw/zinc/24/46/66/207244666.db2.gz PIYIFZMOYJCEOW-TZIWHRDSSA-N -1 0 351.446 4.375 50 0 FIAARM CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000008714685 207243605 /nfs/dbraw/zinc/24/36/05/207243605.db2.gz UKZSOWWQZUMKAO-UHFFFAOYSA-N -1 0 368.886 4.332 50 0 FIAARM O=C1CCCc2nc([N-]c3nc4ccccc4c(-c4ccccc4)n3)ncc21 ZINC000009111059 207256984 /nfs/dbraw/zinc/25/69/84/207256984.db2.gz HGBKLDDZSZTUAY-UHFFFAOYSA-N -1 0 367.412 4.349 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)s2)n[nH]1 ZINC000009686536 207281138 /nfs/dbraw/zinc/28/11/38/207281138.db2.gz PEJISCHFBFTXKU-UHFFFAOYSA-N -1 0 361.492 4.371 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000012341529 207363734 /nfs/dbraw/zinc/36/37/34/207363734.db2.gz MVGSNCBCUWPVDA-MFOYZWKCSA-N -1 0 372.417 4.032 50 0 world FIAARM COc1ccc(-n2nc(C)c3sc([C@@H]4CCC[C@H](C(=O)[O-])C4)nc32)cc1 ZINC000032918832 208055808 /nfs/dbraw/zinc/05/58/08/208055808.db2.gz IXVBQRMTQVQOBH-OLZOCXBDSA-N -1 0 371.462 4.157 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000032971265 208061438 /nfs/dbraw/zinc/06/14/38/208061438.db2.gz RKALXEQMUQYHSG-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM COc1cccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)c1OC ZINC000033392654 208090477 /nfs/dbraw/zinc/09/04/77/208090477.db2.gz DDOZKUOTVHYPGS-JLHYYAGUSA-N -1 0 355.415 4.329 50 0 FIAARM O=C([O-])C[C@H](c1c[nH]c2ncc(Br)cc21)c1ccc(F)cc1 ZINC000035960121 208137696 /nfs/dbraw/zinc/13/76/96/208137696.db2.gz VESZBSJRHCPWMM-LBPRGKRZSA-N -1 0 363.186 4.071 50 0 FIAARM CC1(C)CC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039778409 208213126 /nfs/dbraw/zinc/21/31/26/208213126.db2.gz LLFFLWRZPGHUGE-IBGZPJMESA-N -1 0 365.429 4.263 50 0 FIAARM Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)[O-])cc1C ZINC000040139854 208234189 /nfs/dbraw/zinc/23/41/89/208234189.db2.gz ZHOYIOHRVXFZRY-VAWYXSNFSA-N -1 0 362.429 4.049 50 0 FIAARM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046056798 208357602 /nfs/dbraw/zinc/35/76/02/208357602.db2.gz OSMOJAUOLPBKIV-OAHLLOKOSA-N -1 0 365.458 4.168 50 0 FIAARM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047185708 208374278 /nfs/dbraw/zinc/37/42/78/208374278.db2.gz HSBDTUGHDBBZQC-JTQLQIEISA-N -1 0 373.865 4.012 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)o2)c1C ZINC000064958507 208627967 /nfs/dbraw/zinc/62/79/67/208627967.db2.gz MQAUAAUVWYNIQD-UHFFFAOYSA-N -1 0 366.826 4.314 50 0 FIAARM COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1C(=O)[O-] ZINC000095349935 209023210 /nfs/dbraw/zinc/02/32/10/209023210.db2.gz PZSCWYIKNDAQBJ-UHFFFAOYSA-N -1 0 367.426 4.052 50 0 FIAARM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc2ccccc2c1 ZINC000095454512 209052756 /nfs/dbraw/zinc/05/27/56/209052756.db2.gz XJDVQNASHYVKBP-UHFFFAOYSA-N -1 0 350.399 4.296 50 0 FIAARM O=C([O-])[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC000003358689 132385304 /nfs/dbraw/zinc/38/53/04/132385304.db2.gz ILVYRZSYPBCXEP-GFCCVEGCSA-N -1 0 373.865 4.313 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000046053348 136122039 /nfs/dbraw/zinc/12/20/39/136122039.db2.gz GQFKVDCOZRZKMV-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM CC1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064588783 136133348 /nfs/dbraw/zinc/13/33/48/136133348.db2.gz UJLZGHWOYVZXQM-UHFFFAOYSA-N -1 0 356.397 4.013 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000012503133 263371159 /nfs/dbraw/zinc/37/11/59/263371159.db2.gz MLKXDPUZXIRXEP-HCQJPZKZSA-N -1 0 356.418 4.366 50 0 in-vitro FIAARM COc1cc(/C=C\C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)[O-] ZINC000096766533 521984419 /nfs/dbraw/zinc/98/44/19/521984419.db2.gz SVVFYTOGCWNNOC-POHAHGRESA-N -1 0 362.381 4.208 50 0 FIAARM C[C@@H](Oc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000096765667 525923751 /nfs/dbraw/zinc/92/37/51/525923751.db2.gz SQPFRYCKQNXFEA-NXIHDVOMSA-N -1 0 362.328 4.036 50 0 FIAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000020721593 526572185 /nfs/dbraw/zinc/57/21/85/526572185.db2.gz WMKIWAYNXOSSJV-UHFFFAOYSA-N -1 0 366.870 4.147 50 0 FIAARM CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)[O-])CC3)nn2)cc1 ZINC000033268133 535373600 /nfs/dbraw/zinc/37/36/00/535373600.db2.gz CSNMHWWILQSZSL-UHFFFAOYSA-N -1 0 357.479 4.052 50 0 FIAARM O=C([O-])C1(CC(=O)Nc2cccc(OC(F)(F)F)c2)CCCCCC1 ZINC000024940725 568506477 /nfs/dbraw/zinc/50/64/77/568506477.db2.gz FBIRUOFYCKNNAF-UHFFFAOYSA-N -1 0 359.344 4.339 50 0 FIAARM CCOC(=O)c1cc(C(=O)c2ccccc2[O-])n2ccc3ccccc3c12 ZINC000000626858 570439897 /nfs/dbraw/zinc/43/98/97/570439897.db2.gz LTSRFUYLGOOWFN-UHFFFAOYSA-N -1 0 359.381 4.206 50 0 FIAARM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cc(Cl)ccc1Cl ZINC000000792544 570456584 /nfs/dbraw/zinc/45/65/84/570456584.db2.gz LQKIBZVWVVCXQD-UHFFFAOYSA-N -1 0 363.291 4.130 50 0 FIAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC000000950291 570465955 /nfs/dbraw/zinc/46/59/55/570465955.db2.gz OGLNQJYJSZKXKP-UHFFFAOYSA-N -1 0 361.463 4.100 50 0 FIAARM CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])c1nc3cc(Cl)c(Cl)cc3nc12 ZINC000001020465 570471752 /nfs/dbraw/zinc/47/17/52/570471752.db2.gz RRVIKQNVFGIWFP-SJORKVTESA-N -1 0 351.233 4.350 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(N)c1 ZINC000001033021 570472893 /nfs/dbraw/zinc/47/28/93/570472893.db2.gz NITWJAMESYTXPV-UHFFFAOYSA-N -1 0 365.669 4.338 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2)cc1 ZINC000001037324 570473720 /nfs/dbraw/zinc/47/37/20/570473720.db2.gz NGKRJEMHOZOPED-UHFFFAOYSA-N -1 0 369.490 4.483 50 0 FIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001046011 570476461 /nfs/dbraw/zinc/47/64/61/570476461.db2.gz UXAILUBQNRXBGU-SSDOTTSWSA-N -1 0 357.250 4.164 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001176061 570488366 /nfs/dbraw/zinc/48/83/66/570488366.db2.gz TWRJYLRVPKTDEK-UHFFFAOYSA-N -1 0 356.230 4.422 50 0 FIAARM O=c1c2c(-c3ccccc3)csc2[n-]c(=S)n1Cc1ccccc1 ZINC000003887741 570570015 /nfs/dbraw/zinc/57/00/15/570570015.db2.gz BRZSFCVWSKWHIE-UHFFFAOYSA-N -1 0 350.468 4.462 50 0 FIAARM Nc1ccc(Oc2cc(Cl)c(Cl)cc2S(=O)(=O)[O-])c(Cl)c1 ZINC000002165085 570618356 /nfs/dbraw/zinc/61/83/56/570618356.db2.gz YUEWRGUKGWEQFL-UHFFFAOYSA-N -1 0 368.625 4.268 50 0 FIAARM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061720736 570632352 /nfs/dbraw/zinc/63/23/52/570632352.db2.gz ZQWUUTFIXGHLGV-UHFFFAOYSA-N -1 0 374.318 4.036 50 0 FIAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1 ZINC000002751348 570670898 /nfs/dbraw/zinc/67/08/98/570670898.db2.gz GXGJXUPNDHXEFM-UHFFFAOYSA-N -1 0 373.364 4.286 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002784944 570671736 /nfs/dbraw/zinc/67/17/36/570671736.db2.gz NTWRCTMRUKNTIS-GJZGRUSLSA-N -1 0 356.447 4.032 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2ccccc2s1 ZINC000004502739 570774068 /nfs/dbraw/zinc/77/40/68/570774068.db2.gz JQDYJMIGQQKXRD-UHFFFAOYSA-N -1 0 358.444 4.034 50 0 FIAARM COc1cccc(-c2nc3ccccc3c(NCc3cccnc3)n2)c1[O-] ZINC000013125551 570774214 /nfs/dbraw/zinc/77/42/14/570774214.db2.gz NKSKJXGWVNOSNN-UHFFFAOYSA-N -1 0 358.401 4.018 50 0 FIAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000004819693 570775124 /nfs/dbraw/zinc/77/51/24/570775124.db2.gz YXCOITIQHURZBY-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM S=C1[N-][C@@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000013635980 570781176 /nfs/dbraw/zinc/78/11/76/570781176.db2.gz LZYZYGLFWUPFCS-QFBILLFUSA-N -1 0 367.499 4.307 50 0 FIAARM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)nc1 ZINC000016097200 570865153 /nfs/dbraw/zinc/86/51/53/570865153.db2.gz ONCIPHRKSMAHED-UHFFFAOYSA-N -1 0 356.834 4.107 50 0 FIAARM COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000024747972 570981033 /nfs/dbraw/zinc/98/10/33/570981033.db2.gz HJBQUBKUZRUDBM-UHFFFAOYSA-N -1 0 359.838 4.199 50 0 FIAARM O=S(=O)([N-]c1ccccc1N1CCc2ccccc2C1)c1cccs1 ZINC000026546967 571006776 /nfs/dbraw/zinc/00/67/76/571006776.db2.gz YJINHAXZHUCCAI-UHFFFAOYSA-N -1 0 370.499 4.112 50 0 FIAARM O=C([O-])c1c(SCc2cccc(C(F)(F)F)c2)nc2sccn21 ZINC000001384869 571056084 /nfs/dbraw/zinc/05/60/84/571056084.db2.gz VZAWHGNCSHUNQJ-UHFFFAOYSA-N -1 0 358.366 4.405 50 0 FIAARM O=c1c2c(nc3c(-c4ccccc4)c(Cc4ccccc4)[n-]n31)CCCC2 ZINC000006661924 571073286 /nfs/dbraw/zinc/07/32/86/571073286.db2.gz RPQXHXPSYKUURD-UHFFFAOYSA-N -1 0 355.441 4.159 50 0 FIAARM C[C@H](SCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000012779969 571097983 /nfs/dbraw/zinc/09/79/83/571097983.db2.gz VVTLBXCDYVXDMO-XJKSGUPXSA-N -1 0 373.499 4.073 50 0 FIAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000069950994 571106102 /nfs/dbraw/zinc/10/61/02/571106102.db2.gz SZOHWYLHRHPHTN-UHFFFAOYSA-N -1 0 368.151 4.140 50 0 FIAARM Cc1ccc(NC(=O)NN=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000252611775 571204388 /nfs/dbraw/zinc/20/43/88/571204388.db2.gz INMWPQJKZAZQDM-UHFFFAOYSA-N -1 0 363.373 4.109 50 0 FIAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCCCC3)c([O-])n2n1 ZINC000023156915 571218929 /nfs/dbraw/zinc/21/89/29/571218929.db2.gz CJCQSWIOOXJXCI-AWEZNQCLSA-N -1 0 362.886 4.034 50 0 FIAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCCCC2)cc1 ZINC000064820666 571244023 /nfs/dbraw/zinc/24/40/23/571244023.db2.gz QAEQSFBDICWMCR-UHFFFAOYSA-N -1 0 368.433 4.026 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1 ZINC000064845002 571244548 /nfs/dbraw/zinc/24/45/48/571244548.db2.gz LTIBJOBJTZSJBM-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1-c1ccno1 ZINC000064845087 571244622 /nfs/dbraw/zinc/24/46/22/571244622.db2.gz OFUCYBSRWCKSLN-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1cc(C(=O)[O-])c(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)s1 ZINC000006792736 571246764 /nfs/dbraw/zinc/24/67/64/571246764.db2.gz TUKZUUGYQGIOFI-SECBINFHSA-N -1 0 364.467 4.432 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064947292 571247274 /nfs/dbraw/zinc/24/72/74/571247274.db2.gz RHBXKZBUCFKUEL-UHFFFAOYSA-N -1 0 373.453 4.046 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064947023 571247278 /nfs/dbraw/zinc/24/72/78/571247278.db2.gz HBMYXULWQNKAIM-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064979450 571248271 /nfs/dbraw/zinc/24/82/71/571248271.db2.gz KFHCNMSBKWIVAD-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000006887666 571253137 /nfs/dbraw/zinc/25/31/37/571253137.db2.gz ISFDTFLFMPQUPE-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccnn2C(C)C)cs1 ZINC000065112492 571254391 /nfs/dbraw/zinc/25/43/91/571254391.db2.gz TZGBOKMGAMRJGI-UHFFFAOYSA-N -1 0 361.492 4.302 50 0 FIAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000065215496 571256706 /nfs/dbraw/zinc/25/67/06/571256706.db2.gz GBROZKIBDGUXRM-UHFFFAOYSA-N -1 0 356.447 4.048 50 0 FIAARM O=C1N=C(c2c(=O)oc3ccccc3c2[O-])C(c2cc3ccccc3o2)N1 ZINC000524731970 571258669 /nfs/dbraw/zinc/25/86/69/571258669.db2.gz REAFPGBSSIRNSU-UHFFFAOYSA-N -1 0 360.325 4.008 50 0 biogenic FIAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884183 571290600 /nfs/dbraw/zinc/29/06/00/571290600.db2.gz SOFNDAODLAEYBG-HXUWFJFHSA-N -1 0 358.397 4.152 50 0 FIAARM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000079111951 571327076 /nfs/dbraw/zinc/32/70/76/571327076.db2.gz BFERIFPZKMYRNK-UHFFFAOYSA-N -1 0 358.467 4.141 50 0 FIAARM O=C([O-])c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1 ZINC000002494868 571337467 /nfs/dbraw/zinc/33/74/67/571337467.db2.gz PJBIWTMHWHUAIQ-UHFFFAOYSA-N -1 0 372.427 4.012 50 0 FIAARM CCOc1cc2[n-]c(=S)n(CCc3ccccc3)c(=O)c2cc1OCC ZINC000002976548 571343225 /nfs/dbraw/zinc/34/32/25/571343225.db2.gz KFJYYOFVWQGUAP-UHFFFAOYSA-N -1 0 370.474 4.099 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000004124275 571355887 /nfs/dbraw/zinc/35/58/87/571355887.db2.gz BHUNQJMULPCDTQ-RKDXNWHRSA-N -1 0 370.883 4.355 50 0 FIAARM COc1ccc2nc([N-]c3nnc(-c4ccccc4OC)o3)sc2c1 ZINC000004137753 571356021 /nfs/dbraw/zinc/35/60/21/571356021.db2.gz GSHLQNUTQGMETD-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM N#CCCn1cc(C=C2SC(=S)NC2=O)c(-c2cccc(Cl)c2)n1 ZINC000096662800 1083551805 /nfs/dbraw/zinc/55/18/05/1083551805.db2.gz HZXXTZKQYDAHAC-MDWZMJQESA-N -1 0 374.878 4.446 50 0 FIAARM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2C)cnn1C1CCCC1 ZINC000194226643 1083885006 /nfs/dbraw/zinc/88/50/06/1083885006.db2.gz YGRYIROFIPTEHR-UHFFFAOYSA-N -1 0 353.875 4.069 50 0 FIAARM O=C([O-])C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000244723942 209905266 /nfs/dbraw/zinc/90/52/66/209905266.db2.gz MKRWIJFQWRQXDZ-KRWDZBQOSA-N -1 0 357.837 4.094 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001006313 219352476 /nfs/dbraw/zinc/35/24/76/219352476.db2.gz NZMNDTGOODAUNI-AZUAARDMSA-N -1 0 365.429 4.169 50 0 FIAARM O=C([O-])/C=C\c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000016764338 209599839 /nfs/dbraw/zinc/59/98/39/209599839.db2.gz UBCXJOCGMOANTK-BAQGIRSFSA-N -1 0 351.171 4.265 50 0 FIAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000002221248 209491354 /nfs/dbraw/zinc/49/13/54/209491354.db2.gz MVDNDPZAKHRULK-FMIVXFBMSA-N -1 0 368.458 4.035 50 0 FIAARM O=C([O-])c1cccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)c1 ZINC000238212317 209360220 /nfs/dbraw/zinc/36/02/20/209360220.db2.gz MPMFNIKYVCFYQV-UHFFFAOYSA-N -1 0 361.397 4.354 50 0 FIAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCCc2nc3ccccc3s2)C1 ZINC000237956561 209356627 /nfs/dbraw/zinc/35/66/27/209356627.db2.gz DVLKSSVZTOJJKT-HNNXBMFYSA-N -1 0 374.506 4.113 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000100658337 209216559 /nfs/dbraw/zinc/21/65/59/209216559.db2.gz OXAXYANBCSQTFA-UHFFFAOYSA-N -1 0 364.445 4.376 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000000727850 206828167 /nfs/dbraw/zinc/82/81/67/206828167.db2.gz IORYTMQSSWVCCC-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM Cc1ccc(C[C@@H](CC(=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001162757 206863209 /nfs/dbraw/zinc/86/32/09/206863209.db2.gz ZSSHRUJUTAIOLP-AWEZNQCLSA-N -1 0 365.351 4.286 50 0 FIAARM CCCc1c(C)nc2c(Br)cccc2c1SCC(=O)[O-] ZINC000002276886 206908710 /nfs/dbraw/zinc/90/87/10/206908710.db2.gz WLFDIZQBXKXDTI-UHFFFAOYSA-N -1 0 354.269 4.435 50 0 FIAARM O=C([O-])c1ccccc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003330538 206970137 /nfs/dbraw/zinc/97/01/37/206970137.db2.gz GJXUNERKGGYNER-UHFFFAOYSA-N -1 0 356.230 4.422 50 0 FIAARM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000003624679 206988027 /nfs/dbraw/zinc/98/80/27/206988027.db2.gz MYIWNIXDOMVDLE-WOJBJXKFSA-N -1 0 369.461 4.300 50 0 FIAARM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000003885968 206992424 /nfs/dbraw/zinc/99/24/24/206992424.db2.gz GZPWQYNLYYAAGZ-IIAWOOMASA-N -1 0 350.480 4.481 50 0 FIAARM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000004141935 207002838 /nfs/dbraw/zinc/00/28/38/207002838.db2.gz CARGTECPHKJDLX-ROUUACIJSA-N -1 0 373.449 4.029 50 0 FIAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698261 207038797 /nfs/dbraw/zinc/03/87/97/207038797.db2.gz JTMRLNZDPKUKND-WOBADCFVSA-N -1 0 369.505 4.214 50 0 FIAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004698264 207038956 /nfs/dbraw/zinc/03/89/56/207038956.db2.gz JTMRLNZDPKUKND-BTVRXIIASA-N -1 0 369.505 4.214 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004700364 207039070 /nfs/dbraw/zinc/03/90/70/207039070.db2.gz SUHLNUCJAAQWEM-MOPGFXCFSA-N -1 0 353.418 4.095 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)COc1cccc2ccccc21 ZINC000004978007 207068014 /nfs/dbraw/zinc/06/80/14/207068014.db2.gz OKFVCWAYHJMQFA-UHFFFAOYSA-N -1 0 355.777 4.209 50 0 FIAARM Cc1cccc(N(C)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920545 207062118 /nfs/dbraw/zinc/06/21/18/207062118.db2.gz YHXMPXAWUBSAFB-UHFFFAOYSA-N -1 0 356.809 4.033 50 0 FIAARM COc1ccc(-c2cc(C)nc(SCc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000005051171 207076526 /nfs/dbraw/zinc/07/65/26/207076526.db2.gz ZRZQNERIOLEQBV-UHFFFAOYSA-N -1 0 366.442 4.451 50 0 FIAARM CC(C)Cc1nc2sc3c(ncnc3SCC(=O)[O-])c2c2c1CCC2 ZINC000005321993 207092695 /nfs/dbraw/zinc/09/26/95/207092695.db2.gz NHCPEMQTSLYWFC-UHFFFAOYSA-N -1 0 373.503 4.103 50 0 FIAARM O=C(c1ccccc1)c1c([O-])cc(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000005450647 207100243 /nfs/dbraw/zinc/10/02/43/207100243.db2.gz OEHURZQVPFTUGB-UHFFFAOYSA-N -1 0 367.404 4.441 50 0 FIAARM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000006659766 207152418 /nfs/dbraw/zinc/15/24/18/207152418.db2.gz BKOFIZJEIBKKCA-PXAZEXFGSA-N -1 0 367.405 4.116 50 0 FIAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(Cl)cc1Cl ZINC000006700134 207154686 /nfs/dbraw/zinc/15/46/86/207154686.db2.gz CZNHGOSOHMZTRC-UHFFFAOYSA-N -1 0 359.234 4.229 50 0 FIAARM COc1ccccc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc(C)cc2)n1 ZINC000006748978 207159868 /nfs/dbraw/zinc/15/98/68/207159868.db2.gz KENMQRVRRKSRHN-UHFFFAOYSA-N -1 0 359.385 4.307 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000007402404 207195121 /nfs/dbraw/zinc/19/51/21/207195121.db2.gz QNJDHEZGHZUVCZ-UHFFFAOYSA-N -1 0 366.689 4.273 50 0 FIAARM O=c1nc(CSc2nc(-c3ccccc3)cs2)[n-]c2ccsc21 ZINC000007738301 207205067 /nfs/dbraw/zinc/20/50/67/207205067.db2.gz DWCVULBVNDQTGE-UHFFFAOYSA-N -1 0 357.485 4.400 50 0 FIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OCC)cc1 ZINC000008132514 207220456 /nfs/dbraw/zinc/22/04/56/207220456.db2.gz HJMYHIMQYYGNOE-UHFFFAOYSA-N -1 0 363.479 4.408 50 0 FIAARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000009425667 207271254 /nfs/dbraw/zinc/27/12/54/207271254.db2.gz LTRJPOOUONDLDR-UHFFFAOYSA-N -1 0 374.824 4.275 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1 ZINC000009686524 207280890 /nfs/dbraw/zinc/28/08/90/207280890.db2.gz LNOVZWVWWQKEJZ-UHFFFAOYSA-N -1 0 361.492 4.118 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)c1C ZINC000009686746 207281032 /nfs/dbraw/zinc/28/10/32/207281032.db2.gz CFRMRSXPIWRNEK-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM CCCOc1c(Br)cc(/C=C/C(=O)[O-])cc1Br ZINC000012394678 207370777 /nfs/dbraw/zinc/37/07/77/207370777.db2.gz UKTCOUWLAOESAH-ONEGZZNKSA-N -1 0 364.033 4.098 50 0 FIAARM Cc1cccc([C@@H](Nc2ccc(Br)cc2)[P@@](=O)([O-])O)c1 ZINC000012526544 207384021 /nfs/dbraw/zinc/38/40/21/207384021.db2.gz URVKHGHUVVNAIZ-AWEZNQCLSA-N -1 0 356.156 4.046 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C/c1ccc(S(C)(=O)=O)cc1 ZINC000013531944 207464762 /nfs/dbraw/zinc/46/47/62/207464762.db2.gz MVGSNCBCUWPVDA-RQZCQDPDSA-N -1 0 372.417 4.032 50 0 world FIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2ccccc2c1 ZINC000018193249 207629001 /nfs/dbraw/zinc/62/90/01/207629001.db2.gz MZAHLYSLQKUHHS-FQEVSTJZSA-N -1 0 373.412 4.139 50 0 FIAARM O=C([O-])c1cc2nc(-c3cccc4ccccc43)cc(C(F)(F)F)n2n1 ZINC000020616703 207748829 /nfs/dbraw/zinc/74/88/29/207748829.db2.gz IUQSDIGECKQHFI-UHFFFAOYSA-N -1 0 357.291 4.267 50 0 FIAARM O=C([O-])CC1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 ZINC000027057928 207925380 /nfs/dbraw/zinc/92/53/80/207925380.db2.gz SXFPZYOZOJVABU-UHFFFAOYSA-N -1 0 356.422 4.459 50 0 FIAARM COC(=O)c1occc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000032853605 208048459 /nfs/dbraw/zinc/04/84/59/208048459.db2.gz IKIQVKRIDDDYSN-ZRDIBKRKSA-N -1 0 357.387 4.081 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000032971371 208061961 /nfs/dbraw/zinc/06/19/61/208061961.db2.gz ZRRXJCFVBSDKNM-UHFFFAOYSA-N -1 0 354.387 4.197 50 0 FIAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCCCC(=O)[O-] ZINC000040285901 208245713 /nfs/dbraw/zinc/24/57/13/208245713.db2.gz BJDRNKOIJBZPJL-UHFFFAOYSA-N -1 0 366.870 4.147 50 0 FIAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2ccc3ccccc3c2)CC1 ZINC000044122507 208311280 /nfs/dbraw/zinc/31/12/80/208311280.db2.gz RBVVHXWOHCLKDW-UHFFFAOYSA-N -1 0 355.434 4.193 50 0 FIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820387 208624273 /nfs/dbraw/zinc/62/42/73/208624273.db2.gz YPGBHDSDKVPTEY-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)c1 ZINC000095374970 209037545 /nfs/dbraw/zinc/03/75/45/209037545.db2.gz VEZJNMQAIPGLLD-CQSZACIVSA-N -1 0 361.800 4.197 50 0 FIAARM O=C([O-])c1cc(N2CCC[C@H](C(=O)c3ccccc3)C2)nc2ccccc21 ZINC000095507627 132212859 /nfs/dbraw/zinc/21/28/59/132212859.db2.gz JYPHOPPERHHWAO-INIZCTEOSA-N -1 0 360.413 4.032 50 0 FIAARM O=C([O-])CC1(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000003873574 132385879 /nfs/dbraw/zinc/38/58/79/132385879.db2.gz DOPQLCXFLZJRBM-UHFFFAOYSA-N -1 0 358.482 4.431 50 0 FIAARM C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)[O-] ZINC000009434403 132846571 /nfs/dbraw/zinc/84/65/71/132846571.db2.gz CUEHZWIHVOULOR-MAUKXSAKSA-N -1 0 352.434 4.220 50 0 FIAARM O=C([O-])C1(CCc2ccccc2)CCN(c2nccc3occc32)CC1 ZINC000071638791 136139579 /nfs/dbraw/zinc/13/95/79/136139579.db2.gz LVFXDBGNFACBIL-UHFFFAOYSA-N -1 0 350.418 4.132 50 0 FIAARM COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)[O-])cc2)c1 ZINC000009157930 136151650 /nfs/dbraw/zinc/15/16/50/136151650.db2.gz ILPQIZFOSMVPOW-FQEVSTJZSA-N -1 0 374.396 4.165 50 0 FIAARM COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)[O-])cc2)c1 ZINC000009157929 136151654 /nfs/dbraw/zinc/15/16/54/136151654.db2.gz ILPQIZFOSMVPOW-HXUWFJFHSA-N -1 0 374.396 4.165 50 0 FIAARM Cc1cc(C(=O)C=S([O-])c2cccc(C(F)(F)F)c2)cc(C)c1O ZINC000005361914 263340592 /nfs/dbraw/zinc/34/05/92/263340592.db2.gz BIBJQTCNUSDWAS-DEOSSOPVSA-N -1 0 356.365 4.018 50 0 FIAARM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCC(=O)[O-] ZINC000252695335 525351268 /nfs/dbraw/zinc/35/12/68/525351268.db2.gz YJPIDPAGJSWWBE-XPEFGHIFSA-N -1 0 372.461 4.025 50 0 biogenic FIAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000214077861 567991373 /nfs/dbraw/zinc/99/13/73/567991373.db2.gz GFEWXFXEVZJLRY-UHFFFAOYSA-N -1 0 362.838 4.088 50 0 FIAARM COc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000000652148 570444157 /nfs/dbraw/zinc/44/41/57/570444157.db2.gz OSGMFZLPSOECIH-UHFFFAOYSA-N -1 0 358.191 4.371 50 0 FIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(Br)cc3)n2)cc1 ZINC000000732371 570454345 /nfs/dbraw/zinc/45/43/45/570454345.db2.gz PNEFLRLQDQRRGY-UHFFFAOYSA-N -1 0 357.207 4.308 50 0 FIAARM CC(C)(C)c1nc([C@@H](Cc2ccccc2)C(=O)[O-])n(Cc2ccccc2)n1 ZINC000072233819 570535894 /nfs/dbraw/zinc/53/58/94/570535894.db2.gz FVATVXHMWLVYKH-GOSISDBHSA-N -1 0 363.461 4.035 50 0 FIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000164531251 570775160 /nfs/dbraw/zinc/77/51/60/570775160.db2.gz LMAHJVGPSLPYBB-GDBMZVCRSA-N -1 0 372.490 4.261 50 0 FIAARM C[C@](CC(=O)Nc1ccc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000013250347 570825328 /nfs/dbraw/zinc/82/53/28/570825328.db2.gz JQGXNVBDAPSNAN-QGZVFWFLSA-N -1 0 352.217 4.365 50 0 FIAARM O=S(=O)(C=C([O-])c1ccc(Cl)s1)c1ccc2ccccc2c1 ZINC000019849274 570873851 /nfs/dbraw/zinc/87/38/51/570873851.db2.gz XIWVFYSZULRWBZ-UHFFFAOYSA-N -1 0 350.848 4.211 50 0 FIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(Cl)ccc2C)c1=O ZINC000049409515 570963099 /nfs/dbraw/zinc/96/30/99/570963099.db2.gz ZXVZHKAFKLLGDO-UHFFFAOYSA-N -1 0 362.838 4.003 50 0 FIAARM Cc1ccc(-n2nc(-c3ccc(Br)cc3)cc2C(=O)[O-])cc1 ZINC000025762589 571000171 /nfs/dbraw/zinc/00/01/71/571000171.db2.gz MHQQXNSVQBRXQK-UHFFFAOYSA-N -1 0 357.207 4.308 50 0 FIAARM CC1=C(C(=O)[O-])[C@H](c2ccccc2Cl)NC(=S)N1c1ccccc1 ZINC000008727214 571058294 /nfs/dbraw/zinc/05/82/94/571058294.db2.gz QCDTWLKPUVLZPY-INIZCTEOSA-N -1 0 358.850 4.134 50 0 FIAARM Cc1cc(-c2csc(NC(=O)c3cc(F)c([O-])c(F)c3)n2)c(C)o1 ZINC000177097720 571062555 /nfs/dbraw/zinc/06/25/55/571062555.db2.gz LJUIREKYZZOAOZ-UHFFFAOYSA-N -1 0 350.346 4.256 50 0 FIAARM C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000084660468 571095139 /nfs/dbraw/zinc/09/51/39/571095139.db2.gz LHFGBKFQLPUEFT-OAHLLOKOSA-N -1 0 354.431 4.022 50 0 FIAARM O=C([O-])c1ccc(OCc2cccc3cccnc32)c(Br)c1 ZINC000012785558 571100692 /nfs/dbraw/zinc/10/06/92/571100692.db2.gz QDXXIBMKILWIML-UHFFFAOYSA-N -1 0 358.191 4.275 50 0 FIAARM CC1(C)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000044831663 571102146 /nfs/dbraw/zinc/10/21/46/571102146.db2.gz HXTFRGDUGKDRBV-LJQANCHMSA-N -1 0 365.429 4.121 50 0 FIAARM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccccc1Cl ZINC000241173089 571109701 /nfs/dbraw/zinc/10/97/01/571109701.db2.gz KFZHSXNHMMCTFX-UHFFFAOYSA-N -1 0 359.259 4.404 50 0 FIAARM Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776858 571119742 /nfs/dbraw/zinc/11/97/42/571119742.db2.gz RLJSOELWJGWFBO-UHFFFAOYSA-N -1 0 372.465 4.342 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2n[nH]cc2-c2ccc(Cl)cc2)cc1 ZINC000021729734 571144671 /nfs/dbraw/zinc/14/46/71/571144671.db2.gz HPSAUXWUMDEYNX-UHFFFAOYSA-N -1 0 361.854 4.093 50 0 FIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000006415526 571147323 /nfs/dbraw/zinc/14/73/23/571147323.db2.gz QNSRPIGSKYPQKV-UHFFFAOYSA-N -1 0 350.248 4.058 50 0 FIAARM CCOc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)ccc1Cl ZINC000072414302 571158852 /nfs/dbraw/zinc/15/88/52/571158852.db2.gz YBWQIYQJTSTVOX-UHFFFAOYSA-N -1 0 362.838 4.088 50 0 FIAARM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1 ZINC000004686124 571160233 /nfs/dbraw/zinc/16/02/33/571160233.db2.gz OZSVTRJKXXKNBO-IBGZPJMESA-N -1 0 371.408 4.093 50 0 FIAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccccc1Br ZINC000005885565 571167587 /nfs/dbraw/zinc/16/75/87/571167587.db2.gz HXOYMVCNCLPQSO-UHFFFAOYSA-N -1 0 362.248 4.403 50 0 FIAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1ccc(C(=O)OCC)o1)c2=O ZINC000005900289 571167858 /nfs/dbraw/zinc/16/78/58/571167858.db2.gz SBJWLYSVWLZCGZ-UHFFFAOYSA-N -1 0 356.374 4.196 50 0 biogenic FIAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)Nc2ccc3occc3c2)C1 ZINC000072140473 571172053 /nfs/dbraw/zinc/17/20/53/571172053.db2.gz HSLBMYLTUHVXMZ-AWEZNQCLSA-N -1 0 350.374 4.152 50 0 FIAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000012601091 571189758 /nfs/dbraw/zinc/18/97/58/571189758.db2.gz BROUHFUPTMMSAO-UHFFFAOYSA-N -1 0 367.382 4.094 50 0 FIAARM O=C(c1cnc2cc3c(cc2c1)OC1(CCCC1)O3)c1cc(F)ccc1[O-] ZINC000012612182 571191251 /nfs/dbraw/zinc/19/12/51/571191251.db2.gz SSXKLZAGADSJRX-UHFFFAOYSA-N -1 0 365.360 4.352 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1-c1ccno1 ZINC000064845113 571244599 /nfs/dbraw/zinc/24/45/99/571244599.db2.gz MMJJZUJEQAYBET-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3Cl)c(C)c2)on1 ZINC000064979699 571248232 /nfs/dbraw/zinc/24/82/32/571248232.db2.gz FYATVHGAXHIJIM-UHFFFAOYSA-N -1 0 362.838 4.413 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)c2)on1 ZINC000064979617 571248281 /nfs/dbraw/zinc/24/82/81/571248281.db2.gz KCQNDGSNTLTWEH-UHFFFAOYSA-N -1 0 362.838 4.413 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000006887660 571253221 /nfs/dbraw/zinc/25/32/21/571253221.db2.gz NLAFBBQOUWNGQL-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1ccc(C)c(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)c1 ZINC000002092716 571276852 /nfs/dbraw/zinc/27/68/52/571276852.db2.gz JJKGENTWQOCGAK-UHFFFAOYSA-N -1 0 366.413 4.314 50 0 biogenic FIAARM Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c(C)s1 ZINC000055592124 571318018 /nfs/dbraw/zinc/31/80/18/571318018.db2.gz KRXPAROZKMOOGS-UHFFFAOYSA-N -1 0 366.508 4.069 50 0 FIAARM O=C([O-])CSc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000002341214 571318251 /nfs/dbraw/zinc/31/82/51/571318251.db2.gz MVPLLIGOPYVBHV-UHFFFAOYSA-N -1 0 356.472 4.414 50 0 FIAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)no1 ZINC000021701806 571335605 /nfs/dbraw/zinc/33/56/05/571335605.db2.gz KKVNPNIXWVZIMT-UHFFFAOYSA-N -1 0 363.464 4.031 50 0 FIAARM Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000670417851 571339130 /nfs/dbraw/zinc/33/91/30/571339130.db2.gz VCESOIPCXQDTOT-SXYIGIQMSA-N -1 0 369.505 4.302 50 0 FIAARM CCOC(=O)c1c2cc(O[C@H](C)C(=O)[O-])ccc2oc1-c1ccccc1 ZINC000002667126 571340385 /nfs/dbraw/zinc/34/03/85/571340385.db2.gz MFKXUKSFBISLPF-GFCCVEGCSA-N -1 0 354.358 4.128 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1c(F)cccc1F ZINC000003326871 571347454 /nfs/dbraw/zinc/34/74/54/571347454.db2.gz ZCDFEVUIBKRKGJ-UHFFFAOYSA-N -1 0 369.723 4.020 50 0 FIAARM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc(Cl)cc3)sc2[C@H](C)O1 ZINC000888096043 1086767200 /nfs/dbraw/zinc/76/72/00/1086767200.db2.gz QFJOSRQLODPZNA-BDAKNGLRSA-N -1 0 365.838 4.374 50 0 FIAARM O=C([O-])c1ccc2nc(/C=C\c3ccc(O)c(Br)c3)oc2c1 ZINC000439282471 1123029637 /nfs/dbraw/zinc/02/96/37/1123029637.db2.gz VQLGTSNOEXFHNB-KXFIGUGUSA-N -1 0 360.163 4.165 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001006312 219352961 /nfs/dbraw/zinc/35/29/61/219352961.db2.gz NZMNDTGOODAUNI-ICSRJNTNSA-N -1 0 365.429 4.169 50 0 FIAARM O=C1[N-]C(=O)NC(=C/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)N1 ZINC000001454229 209391785 /nfs/dbraw/zinc/39/17/85/209391785.db2.gz IWUKUDAXEBXABU-OWOJBTEDSA-N -1 0 364.188 4.130 50 0 FIAARM CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000141430 209371888 /nfs/dbraw/zinc/37/18/88/209371888.db2.gz UPBDLXHMYITLQF-UHFFFAOYSA-N -1 0 350.374 4.162 50 0 FIAARM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1 ZINC000000945266 209384060 /nfs/dbraw/zinc/38/40/60/209384060.db2.gz HKODPZBPODONGO-UHFFFAOYSA-N -1 0 371.028 4.170 50 0 in-vivo FIAARM O=C([O-])c1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1 ZINC000238046500 209358664 /nfs/dbraw/zinc/35/86/64/209358664.db2.gz WSLGZXHOAQMGIC-UHFFFAOYSA-N -1 0 361.397 4.354 50 0 FIAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)cc1OC ZINC000102708822 209240500 /nfs/dbraw/zinc/24/05/00/209240500.db2.gz YTCZPQHYJSVNQK-UHFFFAOYSA-N -1 0 361.401 4.095 50 0 FIAARM CCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100498459 209215316 /nfs/dbraw/zinc/21/53/16/209215316.db2.gz XEMZVWWMAOIQGV-UHFFFAOYSA-N -1 0 370.836 4.413 50 0 FIAARM COCc1[n-]n2c(ncc(-c3ccccc3)c2=O)c1-c1ccc(Cl)cc1 ZINC000100243144 209212472 /nfs/dbraw/zinc/21/24/72/209212472.db2.gz UVNGKOBPYHTLPV-UHFFFAOYSA-N -1 0 365.820 4.156 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1C ZINC000098073016 209204423 /nfs/dbraw/zinc/20/44/23/209204423.db2.gz MWDSLCQEOMNXPJ-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000096323197 209152179 /nfs/dbraw/zinc/15/21/79/209152179.db2.gz JQQZBKIFNRGLLO-UHFFFAOYSA-N -1 0 372.324 4.063 50 0 FIAARM COC(=O)c1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)o1 ZINC000096180173 206806597 /nfs/dbraw/zinc/80/65/97/206806597.db2.gz CBTFPYRHVBAMIA-ZHACJKMWSA-N -1 0 357.387 4.081 50 0 FIAARM CCCc1[n-]n(C(=O)C(C)(C)C)c(=O)c1Cc1c(F)cccc1Cl ZINC000001044828 206858328 /nfs/dbraw/zinc/85/83/28/206858328.db2.gz HHETZHZFZVMIKN-LBPRGKRZSA-N -1 0 352.837 4.209 50 0 FIAARM Cn1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)[O-] ZINC000002389770 206913920 /nfs/dbraw/zinc/91/39/20/206913920.db2.gz GHRPKWXGCOWBLD-UHFFFAOYSA-N -1 0 362.385 4.084 50 0 FIAARM CC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000003065165 206956073 /nfs/dbraw/zinc/95/60/73/206956073.db2.gz BEBVRZHOSLMCDZ-UHFFFAOYSA-N -1 0 352.173 4.147 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000004241133 207009442 /nfs/dbraw/zinc/00/94/42/207009442.db2.gz NZVYODUEBIJKKN-QGZVFWFLSA-N -1 0 373.371 4.102 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000004241439 207009797 /nfs/dbraw/zinc/00/97/97/207009797.db2.gz DBNJIILYVLNZAN-RISCZKNCSA-N -1 0 374.264 4.246 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004652324 207033448 /nfs/dbraw/zinc/03/34/48/207033448.db2.gz ZIBONJJMVWRWIY-STQMWFEESA-N -1 0 364.854 4.293 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004652327 207033547 /nfs/dbraw/zinc/03/35/47/207033547.db2.gz ZIBONJJMVWRWIY-QWHCGFSZSA-N -1 0 364.854 4.293 50 0 FIAARM CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004650986 207033873 /nfs/dbraw/zinc/03/38/73/207033873.db2.gz XEUBJIMTTAHGPC-XWTCIIRYSA-N -1 0 361.526 4.379 50 0 FIAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C)C(=O)[O-])c1 ZINC000004719254 207041951 /nfs/dbraw/zinc/04/19/51/207041951.db2.gz DRNQCDRSQDXCCL-KDOFPFPSSA-N -1 0 359.853 4.475 50 0 FIAARM Cc1ccc2c(c1)c(CC(=O)Nc1ccc(F)c(Cl)c1)c(C(=O)[O-])n2C ZINC000004821737 207051171 /nfs/dbraw/zinc/05/11/71/207051171.db2.gz SMVXDSWHWSUEFJ-UHFFFAOYSA-N -1 0 374.799 4.159 50 0 FIAARM CC[C@H](C)[C@@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031245 207073248 /nfs/dbraw/zinc/07/32/48/207073248.db2.gz UAJTZFAZHIEZAX-YJBOKZPZSA-N -1 0 350.418 4.127 50 0 FIAARM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1Br ZINC000005126740 207081461 /nfs/dbraw/zinc/08/14/61/207081461.db2.gz DMCUMGPVLNYPOR-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM O=C([O-])CC/C(=C\c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000005131366 207083756 /nfs/dbraw/zinc/08/37/56/207083756.db2.gz FLBCWVAYBYHMRH-SDNWHVSQSA-N -1 0 367.426 4.473 50 0 FIAARM O=S(=O)([N-]c1ncccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000006057234 207127885 /nfs/dbraw/zinc/12/78/85/207127885.db2.gz UADWCRSDQNUAME-UHFFFAOYSA-N -1 0 374.849 4.115 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cc(Cl)ccc1Cl ZINC000006317214 207136918 /nfs/dbraw/zinc/13/69/18/207136918.db2.gz JLCGDAVKOVOCAO-UHFFFAOYSA-N -1 0 368.188 4.396 50 0 FIAARM CCn1c2ccccc2c(CC(=O)Nc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000006720670 207157893 /nfs/dbraw/zinc/15/78/93/207157893.db2.gz QBAROVMCJHIQPK-UHFFFAOYSA-N -1 0 374.799 4.333 50 0 FIAARM O=C([O-])Cc1sc(NCCc2ccccc2)nc1-c1ccc(F)cc1 ZINC000007060567 207185981 /nfs/dbraw/zinc/18/59/81/207185981.db2.gz ZITWVNZCVBIZLG-UHFFFAOYSA-N -1 0 356.422 4.231 50 0 FIAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1cccs1 ZINC000008379510 207231729 /nfs/dbraw/zinc/23/17/29/207231729.db2.gz KWDOMYGYQYEJMC-UHFFFAOYSA-N -1 0 374.849 4.271 50 0 FIAARM O=C([O-])[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000008745264 207246233 /nfs/dbraw/zinc/24/62/33/207246233.db2.gz TYSYLJWYIHPSKL-CQSZACIVSA-N -1 0 351.374 4.198 50 0 FIAARM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cc(-c2ccc(Cl)cc2)no1 ZINC000036079243 207264719 /nfs/dbraw/zinc/26/47/19/207264719.db2.gz VMSCRKVRTXAQGT-UHFFFAOYSA-N -1 0 366.801 4.076 50 0 FIAARM O=C([O-])c1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000011666862 207316588 /nfs/dbraw/zinc/31/65/88/207316588.db2.gz SUWFEZOGTNKAEH-UHFFFAOYSA-N -1 0 353.349 4.355 50 0 FIAARM Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])o1 ZINC000012462511 207381933 /nfs/dbraw/zinc/38/19/33/207381933.db2.gz NOIKUHIKCAWODW-UHFFFAOYSA-N -1 0 366.320 4.431 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263932 208080244 /nfs/dbraw/zinc/08/02/44/208080244.db2.gz ORVYXQNUAJGZBG-UHFFFAOYSA-N -1 0 372.324 4.063 50 0 FIAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000040283799 208245606 /nfs/dbraw/zinc/24/56/06/208245606.db2.gz QIIKOVZPEKLSFI-LBPRGKRZSA-N -1 0 356.378 4.500 50 0 FIAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2)CC(=O)N3)c1 ZINC000044902781 208323002 /nfs/dbraw/zinc/32/30/02/208323002.db2.gz CPVPEHGNVUSZMH-MRXNPFEDSA-N -1 0 362.385 4.308 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947329 208627502 /nfs/dbraw/zinc/62/75/02/208627502.db2.gz VUBAKMUYFGDMQB-UHFFFAOYSA-N -1 0 369.490 4.161 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)o2)c1C ZINC000064958549 208628054 /nfs/dbraw/zinc/62/80/54/208628054.db2.gz LYCFDAYWEFQDGG-UHFFFAOYSA-N -1 0 366.826 4.314 50 0 FIAARM COc1cccc(-c2cc(C(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])c1 ZINC000065363952 208666730 /nfs/dbraw/zinc/66/67/30/208666730.db2.gz KZIWVIYOYUEHOJ-UHFFFAOYSA-N -1 0 374.368 4.457 50 0 FIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2cccs2)cc1 ZINC000095480403 209059721 /nfs/dbraw/zinc/05/97/21/209059721.db2.gz QITNAUGMCYRLGY-HNNXBMFYSA-N -1 0 371.443 4.056 50 0 FIAARM Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](CC(=O)[O-])c3ccccc3)c2c1 ZINC000095499645 209060788 /nfs/dbraw/zinc/06/07/88/209060788.db2.gz CDICUXGWNXWOMD-HXUWFJFHSA-N -1 0 362.429 4.140 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)cc1Cl ZINC000065153407 221173657 /nfs/dbraw/zinc/17/36/57/221173657.db2.gz ZKBDZJQXVWDTEK-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM CC1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000064820384 136133839 /nfs/dbraw/zinc/13/38/39/136133839.db2.gz LBUAETRRDWJCTR-UHFFFAOYSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(c2ccc3ccccc3n2)C1 ZINC000071613764 136139554 /nfs/dbraw/zinc/13/95/54/136139554.db2.gz QWGKMBQXUBCKIS-QHCPKHFHSA-N -1 0 360.457 4.457 50 0 FIAARM Cc1cc(C)cc(N[C@@H](c2ccc(OC(F)F)cc2)[P@@](=O)([O-])O)c1 ZINC000024769725 568095732 /nfs/dbraw/zinc/09/57/32/568095732.db2.gz ONEQRTZDJVTDFG-OAHLLOKOSA-N -1 0 357.293 4.193 50 0 FIAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000219351286 568292475 /nfs/dbraw/zinc/29/24/75/568292475.db2.gz VYQXUFGXZJQEAY-IBGZPJMESA-N -1 0 355.409 4.352 50 0 FIAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000219351353 568292565 /nfs/dbraw/zinc/29/25/65/568292565.db2.gz VYQXUFGXZJQEAY-LJQANCHMSA-N -1 0 355.409 4.352 50 0 FIAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000000665815 570445523 /nfs/dbraw/zinc/44/55/23/570445523.db2.gz CRQKHUMUSBKFGC-UHFFFAOYSA-N -1 0 360.298 4.237 50 0 FIAARM Oc1ccc(CCc2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000001026807 570472023 /nfs/dbraw/zinc/47/20/23/570472023.db2.gz ROVLWEOFWYJBHX-UHFFFAOYSA-N -1 0 365.380 4.439 50 0 FIAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000002582990 570525543 /nfs/dbraw/zinc/52/55/43/570525543.db2.gz RQQDWMAMCZQDNK-UHFFFAOYSA-N -1 0 352.387 4.079 50 0 FIAARM Cc1ccccc1-n1nc(-c2cccc(Br)c2)cc1C(=O)[O-] ZINC000002641515 570526395 /nfs/dbraw/zinc/52/63/95/570526395.db2.gz UNXHMKUOOCPCLK-UHFFFAOYSA-N -1 0 357.207 4.308 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])n2)s1 ZINC000000205111 570543052 /nfs/dbraw/zinc/54/30/52/570543052.db2.gz QUFLODYTHHJZSB-MNOVXSKESA-N -1 0 350.465 4.010 50 0 FIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])OC1(CCCCC1)CC3 ZINC000004085051 570575153 /nfs/dbraw/zinc/57/51/53/570575153.db2.gz JNHJEIRJDUJQTH-UHFFFAOYSA-N -1 0 356.418 4.147 50 0 biogenic FIAARM O=c1cc(C(F)(F)F)nc(SCc2cccc(C(F)(F)F)c2)[n-]1 ZINC000005155169 570592195 /nfs/dbraw/zinc/59/21/95/570592195.db2.gz YSBLNSWQDBDGPN-UHFFFAOYSA-N -1 0 354.275 4.100 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000002760882 570669555 /nfs/dbraw/zinc/66/95/55/570669555.db2.gz IALKDVQCLHQWAN-CQSZACIVSA-N -1 0 355.434 4.397 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002784943 570671673 /nfs/dbraw/zinc/67/16/73/570671673.db2.gz NTWRCTMRUKNTIS-HUUCEWRRSA-N -1 0 356.447 4.032 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000642724 570761187 /nfs/dbraw/zinc/76/11/87/570761187.db2.gz DBOABFOJFKCSSI-WOJBJXKFSA-N -1 0 351.446 4.106 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000642728 570761284 /nfs/dbraw/zinc/76/12/84/570761284.db2.gz DBOABFOJFKCSSI-UXHICEINSA-N -1 0 351.446 4.106 50 0 FIAARM C[C@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC000012973957 570769298 /nfs/dbraw/zinc/76/92/98/570769298.db2.gz IYNLDKSEKNAFQJ-LBPRGKRZSA-N -1 0 355.415 4.101 50 0 FIAARM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC000004825633 570774967 /nfs/dbraw/zinc/77/49/67/570774967.db2.gz JNBJCUJCTGTLSM-JTQLQIEISA-N -1 0 368.216 4.406 50 0 FIAARM O=C([O-])C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000013173643 570775131 /nfs/dbraw/zinc/77/51/31/570775131.db2.gz NLUCLIUJFYFCRS-ZDUSSCGKSA-N -1 0 356.180 4.078 50 0 FIAARM CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc21 ZINC000013253440 570775407 /nfs/dbraw/zinc/77/54/07/570775407.db2.gz LKDILFQDXLKRLR-DLBZAZTESA-N -1 0 362.429 4.420 50 0 FIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccncc1)CCCCCC3 ZINC000017073850 570866505 /nfs/dbraw/zinc/86/65/05/570866505.db2.gz KUHOUYXIHFJAQA-UHFFFAOYSA-N -1 0 357.504 4.223 50 0 FIAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1Cc1cccnc1 ZINC000017075122 570866854 /nfs/dbraw/zinc/86/68/54/570866854.db2.gz CPRQZIHDGPOUOP-UHFFFAOYSA-N -1 0 365.483 4.155 50 0 FIAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017076640 570868160 /nfs/dbraw/zinc/86/81/60/570868160.db2.gz GGNZPXAEJRGZDU-UHFFFAOYSA-N -1 0 374.462 4.065 50 0 FIAARM COc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(OC)cc1Cl ZINC000008132569 570894374 /nfs/dbraw/zinc/89/43/74/570894374.db2.gz HKEXSNQIEORTFT-UHFFFAOYSA-N -1 0 369.870 4.083 50 0 FIAARM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)c1cccs1 ZINC000022608985 570947741 /nfs/dbraw/zinc/94/77/41/570947741.db2.gz FHEBENQSNDTNLX-UHFFFAOYSA-N -1 0 371.789 4.143 50 0 FIAARM CCCSc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000021786089 570933833 /nfs/dbraw/zinc/93/38/33/570933833.db2.gz FUXXVSLMRSZHIJ-UHFFFAOYSA-N -1 0 352.466 4.009 50 0 FIAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000013059520 570972155 /nfs/dbraw/zinc/97/21/55/570972155.db2.gz RZMSFPRPJXLGNF-UHFFFAOYSA-N -1 0 359.447 4.233 50 0 FIAARM C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000025047866 570989507 /nfs/dbraw/zinc/98/95/07/570989507.db2.gz BYZFUNHQDREUND-VBKZILBWSA-N -1 0 369.436 4.140 50 0 FIAARM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H](c2ccccc2)O1 ZINC000072289354 571044526 /nfs/dbraw/zinc/04/45/26/571044526.db2.gz MKPJZKCXKKGNQF-SJCJKPOMSA-N -1 0 354.431 4.093 50 0 FIAARM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@H](c2ccccc2)O1 ZINC000072289353 571044579 /nfs/dbraw/zinc/04/45/79/571044579.db2.gz MKPJZKCXKKGNQF-PXAZEXFGSA-N -1 0 354.431 4.093 50 0 FIAARM CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001388579 571057247 /nfs/dbraw/zinc/05/72/47/571057247.db2.gz RVZCJJSISNCZIC-UHFFFAOYSA-N -1 0 361.442 4.003 50 0 FIAARM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1ccc(Cl)cc1 ZINC000008864658 571063883 /nfs/dbraw/zinc/06/38/83/571063883.db2.gz ZDQVGVQKVDXSCL-UHFFFAOYSA-N -1 0 359.259 4.404 50 0 FIAARM CC(C)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccs1 ZINC000069117142 571088269 /nfs/dbraw/zinc/08/82/69/571088269.db2.gz OWVCUPVZJSZZBN-CQSZACIVSA-N -1 0 359.476 4.187 50 0 FIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000941813 571135234 /nfs/dbraw/zinc/13/52/34/571135234.db2.gz NLFJHIAMGGFFCF-UHFFFAOYSA-N -1 0 356.765 4.254 50 0 FIAARM O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1ccccc1Cl ZINC000075106840 571155284 /nfs/dbraw/zinc/15/52/84/571155284.db2.gz ZAVPDJJGRFBLSS-UHFFFAOYSA-N -1 0 361.854 4.285 50 0 FIAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000075109950 571156173 /nfs/dbraw/zinc/15/61/73/571156173.db2.gz FBMIBTXNBJWPTM-UHFFFAOYSA-N -1 0 351.296 4.093 50 0 FIAARM O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([O-])c(Cl)c1 ZINC000060473735 571157950 /nfs/dbraw/zinc/15/79/50/571157950.db2.gz AJLQOIMTZZTODQ-HNNXBMFYSA-N -1 0 367.779 4.454 50 0 FIAARM O=C([O-])C[C@H](NC(=O)C1CCCCC1)c1ccc(OC2CCCC2)cc1 ZINC000004689326 571161565 /nfs/dbraw/zinc/16/15/65/571161565.db2.gz XZCKYLGVXUYLJU-IBGZPJMESA-N -1 0 359.466 4.220 50 0 FIAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(CC)cc3)c2)on1 ZINC000033169537 571162417 /nfs/dbraw/zinc/16/24/17/571162417.db2.gz WRIZWNQHQKCNLH-UHFFFAOYSA-N -1 0 362.476 4.329 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc21 ZINC000072125572 571170306 /nfs/dbraw/zinc/17/03/06/571170306.db2.gz SKZDFHOUZFRZHJ-UHFFFAOYSA-N -1 0 358.401 4.244 50 0 FIAARM C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H]1C(=O)[O-] ZINC000072481806 571200058 /nfs/dbraw/zinc/20/00/58/571200058.db2.gz KCDAUUVKWKWDAC-DENIHFKCSA-N -1 0 365.429 4.169 50 0 FIAARM CCc1cccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000064757599 571241393 /nfs/dbraw/zinc/24/13/93/571241393.db2.gz HJMREWSVCLWPAE-UHFFFAOYSA-N -1 0 371.437 4.328 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)o2)c1C ZINC000064958597 571247706 /nfs/dbraw/zinc/24/77/06/571247706.db2.gz YATCMNZGHXRWNE-UHFFFAOYSA-N -1 0 370.789 4.145 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)s2)o1 ZINC000065003767 571250126 /nfs/dbraw/zinc/25/01/26/571250126.db2.gz ZAPSUAVXWQLACL-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM Cc1ccnc(-c2ccc(NC(=O)CC3(C(=O)[O-])CCCCCC3)cc2)n1 ZINC000169987640 571260316 /nfs/dbraw/zinc/26/03/16/571260316.db2.gz MOHQEDPHJMHKAD-UHFFFAOYSA-N -1 0 367.449 4.206 50 0 FIAARM O=C([O-])C1(CC(=O)N[C@@H](c2ccccn2)C2CCCC2)CCCCCC1 ZINC000170002900 571260755 /nfs/dbraw/zinc/26/07/55/571260755.db2.gz XIYLNSYWWLFSLM-LJQANCHMSA-N -1 0 358.482 4.244 50 0 FIAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@H]2C(F)(F)F ZINC000066089630 571290359 /nfs/dbraw/zinc/29/03/59/571290359.db2.gz OQXGYDRRJUUUDY-SSDOTTSWSA-N -1 0 359.300 4.241 50 0 FIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](C(F)(F)F)CC(=O)N3)cc1 ZINC000066089639 571290360 /nfs/dbraw/zinc/29/03/60/571290360.db2.gz IJMIGCXBPYLRNM-SECBINFHSA-N -1 0 371.336 4.110 50 0 FIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](C(F)(F)F)CC(=O)N3)cc1 ZINC000066089640 571290363 /nfs/dbraw/zinc/29/03/63/571290363.db2.gz IJMIGCXBPYLRNM-VIFPVBQESA-N -1 0 371.336 4.110 50 0 FIAARM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055149501 571320921 /nfs/dbraw/zinc/32/09/21/571320921.db2.gz CGPUGEHCBNEDEX-UHFFFAOYSA-N -1 0 368.433 4.077 50 0 FIAARM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cccc1NC(=O)c1ccccc1 ZINC000055150961 571320944 /nfs/dbraw/zinc/32/09/44/571320944.db2.gz VSYFYUIWEHSHIE-UHFFFAOYSA-N -1 0 368.433 4.077 50 0 FIAARM O=c1cc([O-])c2sc3nc4c(c(C(F)(F)F)c3c2[nH]1)CCCCC4 ZINC000018209483 571321545 /nfs/dbraw/zinc/32/15/45/571321545.db2.gz ZNURTZHVVDOQTA-UHFFFAOYSA-N -1 0 354.353 4.131 50 0 FIAARM CC[C@H](/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc21)C(=O)[O-] ZINC000013144887 571323123 /nfs/dbraw/zinc/32/31/23/571323123.db2.gz ONIINDPDHIFBGG-VPMFXMNOSA-N -1 0 351.402 4.181 50 0 FIAARM CC(C)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000328595935 571323711 /nfs/dbraw/zinc/32/37/11/571323711.db2.gz KZCMHIWAWMVCRA-UHFFFAOYSA-N -1 0 359.369 4.335 50 0 FIAARM CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000020627668 571331530 /nfs/dbraw/zinc/33/15/30/571331530.db2.gz HIWJASRHAUKWQL-UHFFFAOYSA-N -1 0 372.443 4.097 50 0 FIAARM CC(C)(C)c1ccc([C@@H]2SCC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000002949278 571342118 /nfs/dbraw/zinc/34/21/18/571342118.db2.gz QIBPOKXMVAPZLC-SFHVURJKSA-N -1 0 355.459 4.461 50 0 FIAARM O=C([O-])[C@@H]1CCCN1c1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000056979751 571342253 /nfs/dbraw/zinc/34/22/53/571342253.db2.gz VZFNXSLYHRQNPS-HNNXBMFYSA-N -1 0 359.385 4.096 50 0 FIAARM O=c1c2cc(Br)ccc2[n-]c(=S)n1CCc1ccccc1 ZINC000003043354 571343988 /nfs/dbraw/zinc/34/39/88/571343988.db2.gz QFBSJSQSXGJYTE-UHFFFAOYSA-N -1 0 361.264 4.064 50 0 FIAARM COc1cc(OC)cc(-c2nnc([N-]c3nc4c(cccc4F)s3)o2)c1 ZINC000004100613 571355311 /nfs/dbraw/zinc/35/53/11/571355311.db2.gz DIPCWZOATLQURP-UHFFFAOYSA-N -1 0 372.381 4.246 50 0 FIAARM COc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2c1 ZINC000004137807 571356014 /nfs/dbraw/zinc/35/60/14/571356014.db2.gz OHRGTVQDBQOSBR-UHFFFAOYSA-N -1 0 357.416 4.387 50 0 aggregator FIAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCSC2 ZINC000888096228 1086769335 /nfs/dbraw/zinc/76/93/35/1086769335.db2.gz ZGEXVQHLRPBXGT-UHFFFAOYSA-N -1 0 353.852 4.141 50 0 FIAARM O=C([O-])CCc1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000431528683 1101792393 /nfs/dbraw/zinc/79/23/93/1101792393.db2.gz NQHIPKSSUSWYRI-UHFFFAOYSA-N -1 0 362.385 4.143 50 0 FIAARM CN(Cc1ccccc1Br)C(=O)c1ccc([O-])c(Cl)c1 ZINC000023572234 209711952 /nfs/dbraw/zinc/71/19/52/209711952.db2.gz JZZXSZKIEWGSKF-UHFFFAOYSA-N -1 0 354.631 4.080 50 0 FIAARM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1cccs1 ZINC000012631454 209570035 /nfs/dbraw/zinc/57/00/35/209570035.db2.gz BPNVHXRQNWEWQO-UHFFFAOYSA-N -1 0 353.412 4.203 50 0 FIAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 ZINC000000754792 209376063 /nfs/dbraw/zinc/37/60/63/209376063.db2.gz VXLNBLVSWQUHFN-LIKPIUCQSA-N -1 0 369.420 4.233 50 0 FIAARM O=C(C=C([O-])c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000100802039 209216956 /nfs/dbraw/zinc/21/69/56/209216956.db2.gz ZNACVMXAYUEESC-UHFFFAOYSA-N -1 0 356.271 4.345 50 0 FIAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)c(C)c1 ZINC000100472725 209215320 /nfs/dbraw/zinc/21/53/20/209215320.db2.gz LYZUBTANYWUCBX-UHFFFAOYSA-N -1 0 364.445 4.232 50 0 FIAARM CCCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21 ZINC000100562548 209214896 /nfs/dbraw/zinc/21/48/96/209214896.db2.gz ZMUUVTJNIYGGDP-UHFFFAOYSA-N -1 0 372.371 4.038 50 0 FIAARM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C\c1ccc(C(=O)[O-])cn1 ZINC000096941976 209164828 /nfs/dbraw/zinc/16/48/28/209164828.db2.gz FMKUQKFFVYZIND-KTKRTIGZSA-N -1 0 367.836 4.465 50 0 FIAARM O=C([O-])COc1cccc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1 ZINC000096400377 209153852 /nfs/dbraw/zinc/15/38/52/209153852.db2.gz IVLXPCXHUCTSAE-FPLPWBNLSA-N -1 0 351.185 4.353 50 0 FIAARM CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000096305731 209150504 /nfs/dbraw/zinc/15/05/04/209150504.db2.gz DTIPOBBHJBNHCQ-UHFFFAOYSA-N -1 0 362.495 4.493 50 0 FIAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002115058 206799260 /nfs/dbraw/zinc/79/92/60/206799260.db2.gz WQVWXMFLRNVCEC-HXUWFJFHSA-N -1 0 352.386 4.259 50 0 biogenic FIAARM CC1(C)Cc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)[O-])CO1 ZINC000000857310 206840089 /nfs/dbraw/zinc/84/00/89/206840089.db2.gz LECRDRRGZCZOKL-UHFFFAOYSA-N -1 0 365.838 4.203 50 0 FIAARM O=C([O-])c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)(F)F ZINC000002534238 206920195 /nfs/dbraw/zinc/92/01/95/206920195.db2.gz AUQQLJUPTMKLQR-UHFFFAOYSA-N -1 0 357.291 4.267 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000004241098 207009922 /nfs/dbraw/zinc/00/99/22/207009922.db2.gz WSEOQKALYMEIPL-KRWDZBQOSA-N -1 0 374.264 4.390 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000004163714 207005370 /nfs/dbraw/zinc/00/53/70/207005370.db2.gz WIMYBKKSJCKPOW-WDEREUQCSA-N -1 0 362.838 4.069 50 0 FIAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004581052 207028796 /nfs/dbraw/zinc/02/87/96/207028796.db2.gz CWKVBZAPFQTZFT-IBGZPJMESA-N -1 0 369.461 4.329 50 0 FIAARM O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Cl ZINC000004834792 207052236 /nfs/dbraw/zinc/05/22/36/207052236.db2.gz NZYADEATUWYYKB-UHFFFAOYSA-N -1 0 374.849 4.271 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004917670 207062404 /nfs/dbraw/zinc/06/24/04/207062404.db2.gz ALDVUFUYFGLQFF-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM CC1=C(C)C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000005017673 207072993 /nfs/dbraw/zinc/07/29/93/207072993.db2.gz ZBXDILHDMKPLCT-WOJBJXKFSA-N -1 0 363.457 4.339 50 0 FIAARM COC(=O)c1ccc2nc([N-]c3nc4c(cccc4OC)s3)sc2c1 ZINC000005025730 207074335 /nfs/dbraw/zinc/07/43/35/207074335.db2.gz FKTJBACTQNBATO-UHFFFAOYSA-N -1 0 371.443 4.445 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(F)cc2)C1 ZINC000005131351 207083127 /nfs/dbraw/zinc/08/31/27/207083127.db2.gz RZCOOQYJAFRQDB-RVDMUPIBSA-N -1 0 362.404 4.448 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000005601166 207107391 /nfs/dbraw/zinc/10/73/91/207107391.db2.gz UMICSKDLAZJQQS-LSDHHAIUSA-N -1 0 358.463 4.256 50 0 FIAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007402743 207195458 /nfs/dbraw/zinc/19/54/58/207195458.db2.gz URIJGQZRGLIOHH-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007402750 207195597 /nfs/dbraw/zinc/19/55/97/207195597.db2.gz QEVHRQPCJJCZNG-UHFFFAOYSA-N -1 0 366.689 4.273 50 0 FIAARM Cc1nc(SCc2nc(=O)c3sccc3[n-]2)n(C2CCCC2)c1C ZINC000009365941 207268825 /nfs/dbraw/zinc/26/88/25/207268825.db2.gz VDVBAEWUGNHMDN-UHFFFAOYSA-N -1 0 360.508 4.205 50 0 FIAARM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000012312222 207357829 /nfs/dbraw/zinc/35/78/29/207357829.db2.gz GZPWQYNLYYAAGZ-FMKPAKJESA-N -1 0 350.480 4.481 50 0 FIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1Cl ZINC000012541539 207390289 /nfs/dbraw/zinc/39/02/89/207390289.db2.gz JHEIVQQSJYIYEY-UHFFFAOYSA-N -1 0 370.261 4.287 50 0 FIAARM C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000025047874 207883916 /nfs/dbraw/zinc/88/39/16/207883916.db2.gz BYZFUNHQDREUND-VLIAUNLRSA-N -1 0 369.436 4.140 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(OC)c2)C1 ZINC000033782449 208098986 /nfs/dbraw/zinc/09/89/86/208098986.db2.gz BAPDPELWEWWYDN-WJDWOHSUSA-N -1 0 374.440 4.318 50 0 FIAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)on1 ZINC000033290290 208083130 /nfs/dbraw/zinc/08/31/30/208083130.db2.gz AWVQUBBLSWKKGK-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM O=C([O-])c1ccccc1C(CC(=O)c1ccco1)CC(=O)c1ccco1 ZINC000035325149 208121418 /nfs/dbraw/zinc/12/14/18/208121418.db2.gz NHZAIYVSLJMMPT-UHFFFAOYSA-N -1 0 352.342 4.200 50 0 FIAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1ccsc1 ZINC000040287877 208246317 /nfs/dbraw/zinc/24/63/17/208246317.db2.gz HZHGTFKQCLJRNG-ZDUSSCGKSA-N -1 0 356.378 4.500 50 0 FIAARM Cc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000046894496 208369225 /nfs/dbraw/zinc/36/92/25/208369225.db2.gz AFGVDWOSXHWPOE-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)C4CC4)c(C(=O)[O-])c3)C2)c1 ZINC000064589055 208617080 /nfs/dbraw/zinc/61/70/80/208617080.db2.gz LVGBMFGLHMKQGO-KRWDZBQOSA-N -1 0 364.445 4.036 50 0 FIAARM Cc1nn(C)c2sc(C(=O)Nc3ccc4sc(C(=O)[O-])cc4c3)cc12 ZINC000095948912 209087839 /nfs/dbraw/zinc/08/78/39/209087839.db2.gz CKGAECISTUJXIY-UHFFFAOYSA-N -1 0 371.443 4.108 50 0 FIAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000064820512 136133877 /nfs/dbraw/zinc/13/38/77/136133877.db2.gz FMDURAGTJXKJEN-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM O=C([O-])CC1(CNC(=O)C[C@@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000218428488 527568562 /nfs/dbraw/zinc/56/85/62/527568562.db2.gz OBBPCGARAXMEOW-GOSISDBHSA-N -1 0 369.461 4.343 50 0 FIAARM O=C([O-])c1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 ZINC000000784492 568224462 /nfs/dbraw/zinc/22/44/62/568224462.db2.gz AEBLQVAVGGNJDT-UHFFFAOYSA-N -1 0 364.382 4.358 50 0 FIAARM Cc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000000762997 570455393 /nfs/dbraw/zinc/45/53/93/570455393.db2.gz VHTZGWBBMCCSFD-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM O=C([O-])CCNc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3 ZINC000000784790 570456147 /nfs/dbraw/zinc/45/61/47/570456147.db2.gz LTPIIBLGBDUBAL-UHFFFAOYSA-N -1 0 367.474 4.048 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(OC)c1 ZINC000011615566 570483839 /nfs/dbraw/zinc/48/38/39/570483839.db2.gz MKVZCQCWPCGXAW-UHFFFAOYSA-N -1 0 369.442 4.172 50 0 FIAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000001273256 570496799 /nfs/dbraw/zinc/49/67/99/570496799.db2.gz UKZWMJMQQLWAET-AWEZNQCLSA-N -1 0 372.218 4.372 50 0 FIAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 ZINC000002184354 570516601 /nfs/dbraw/zinc/51/66/01/570516601.db2.gz CKSRWJHOGMDXJT-OQLLNIDSSA-N -1 0 373.817 4.275 50 0 FIAARM CCC[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386075 570520425 /nfs/dbraw/zinc/52/04/25/570520425.db2.gz HKELUUGCKFRJQM-IBGZPJMESA-N -1 0 353.418 4.121 50 0 FIAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000002564724 570525443 /nfs/dbraw/zinc/52/54/43/570525443.db2.gz VCIVAWBKUQJNSX-UHFFFAOYSA-N -1 0 365.429 4.313 50 0 FIAARM COc1ccc2ccccc2c1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221039983 570544783 /nfs/dbraw/zinc/54/47/83/570544783.db2.gz OFLBYJOSQVJXDN-CRAIPNDOSA-N -1 0 371.433 4.026 50 0 FIAARM O=C([O-])CCCCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012998806 570771734 /nfs/dbraw/zinc/77/17/34/570771734.db2.gz OHLXLUJYHYSLLZ-UHFFFAOYSA-N -1 0 351.874 4.303 50 0 FIAARM S=C1[N-][C@@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013635986 570781747 /nfs/dbraw/zinc/78/17/47/570781747.db2.gz LZYZYGLFWUPFCS-VQIMIIECSA-N -1 0 367.499 4.307 50 0 FIAARM O=C([O-])c1ccccc1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632608 570821343 /nfs/dbraw/zinc/82/13/43/570821343.db2.gz ZPHFVZKLOMMGCU-UHFFFAOYSA-N -1 0 373.408 4.424 50 0 FIAARM CCn1c(=O)c(-c2nc(-c3ccccc3Cl)no2)c([O-])c2ccccc21 ZINC000101725457 570822851 /nfs/dbraw/zinc/82/28/51/570822851.db2.gz FKEWXUPOFUNPCL-UHFFFAOYSA-N -1 0 367.792 4.097 50 0 FIAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000016101088 570850519 /nfs/dbraw/zinc/85/05/19/570850519.db2.gz PLFXIUZMYFVDRW-UHFFFAOYSA-N -1 0 353.724 4.299 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 ZINC000016147512 570851117 /nfs/dbraw/zinc/85/11/17/570851117.db2.gz AIXHVENDHLJIGX-UHFFFAOYSA-N -1 0 371.714 4.438 50 0 FIAARM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000071946931 570877800 /nfs/dbraw/zinc/87/78/00/570877800.db2.gz QRMANPZGWCAXPB-UHFFFAOYSA-N -1 0 373.518 4.057 50 0 FIAARM Cc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000023194576 570959304 /nfs/dbraw/zinc/95/93/04/570959304.db2.gz VTSUTPHQWJMWAC-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582494 571014470 /nfs/dbraw/zinc/01/44/70/571014470.db2.gz DGKJCMJLSMBSKW-UHFFFAOYSA-N -1 0 360.464 4.174 50 0 FIAARM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1 ZINC000096405117 571083333 /nfs/dbraw/zinc/08/33/33/571083333.db2.gz KLJHAGNMDKSOFU-YWEYNIOJSA-N -1 0 351.185 4.353 50 0 FIAARM CC(C)CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000001436367 571095830 /nfs/dbraw/zinc/09/58/30/571095830.db2.gz UHCGNLWGCMPUNK-IBGZPJMESA-N -1 0 355.434 4.057 50 0 FIAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cc2ccccc2o1 ZINC000058145183 571125690 /nfs/dbraw/zinc/12/56/90/571125690.db2.gz SJDGYYJXTAHDEA-SNVBAGLBSA-N -1 0 365.414 4.235 50 0 FIAARM CC(C)(C)c1ccc(CCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000058315282 571130970 /nfs/dbraw/zinc/13/09/70/571130970.db2.gz PWYDYAOIWUVFAA-UHFFFAOYSA-N -1 0 365.433 4.311 50 0 FIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000068741080 571153606 /nfs/dbraw/zinc/15/36/06/571153606.db2.gz YCADRJOKCSDVCR-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM O=C([O-])C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000004689329 571161588 /nfs/dbraw/zinc/16/15/88/571161588.db2.gz YWWULYYWWBKCME-IBGZPJMESA-N -1 0 368.433 4.346 50 0 FIAARM CCc1cc2c(cc1[O-])oc(CC)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005961459 571169599 /nfs/dbraw/zinc/16/95/99/571169599.db2.gz QAXBZZRFGZXCMY-UHFFFAOYSA-N -1 0 352.386 4.062 50 0 biogenic FIAARM CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000053820023 571175830 /nfs/dbraw/zinc/17/58/30/571175830.db2.gz CRMZBRJZCCWZFZ-UHFFFAOYSA-N -1 0 355.419 4.037 50 0 FIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000003247637 571177437 /nfs/dbraw/zinc/17/74/37/571177437.db2.gz FDUGKJWTADVGHP-UHFFFAOYSA-N -1 0 368.867 4.149 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000075436362 571178626 /nfs/dbraw/zinc/17/86/26/571178626.db2.gz FLTUWLXTRNLIRH-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000003348234 571181287 /nfs/dbraw/zinc/18/12/87/571181287.db2.gz PSDUYAQPSVASPB-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2)cc1 ZINC000003623506 571186268 /nfs/dbraw/zinc/18/62/68/571186268.db2.gz ASSIBYBNFNOMRO-KRWDZBQOSA-N -1 0 361.825 4.075 50 0 FIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820439 571243955 /nfs/dbraw/zinc/24/39/55/571243955.db2.gz PXHMDLCQXZEPIB-UHFFFAOYSA-N -1 0 358.413 4.403 50 0 FIAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2)c1C ZINC000064845914 571244652 /nfs/dbraw/zinc/24/46/52/571244652.db2.gz RDKBWEATVGOWQU-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031063 571250880 /nfs/dbraw/zinc/25/08/80/571250880.db2.gz XJYAIWMLHCVHDS-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM O=C([O-])c1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn32)cc1 ZINC000065322753 571261700 /nfs/dbraw/zinc/26/17/00/571261700.db2.gz UAQCNNAWRRKTJC-UHFFFAOYSA-N -1 0 364.792 4.492 50 0 FIAARM Cc1c2ccc(OC/C=C/c3ccccc3)c(C)c2oc(=O)c1CC(=O)[O-] ZINC000002096362 571277045 /nfs/dbraw/zinc/27/70/45/571277045.db2.gz RYCJUXCMUQPSLI-RMKNXTFCSA-N -1 0 364.397 4.129 50 0 biogenic FIAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@@H]2C(F)(F)F ZINC000066089634 571290361 /nfs/dbraw/zinc/29/03/61/571290361.db2.gz OQXGYDRRJUUUDY-ZETCQYMHSA-N -1 0 359.300 4.241 50 0 FIAARM COc1ccc(Nc2c(C(=O)[O-])cnc3c(C)cc(Cl)cc32)cc1OC ZINC000019795509 571327318 /nfs/dbraw/zinc/32/73/18/571327318.db2.gz PLLMJHYKVNGTPJ-UHFFFAOYSA-N -1 0 372.808 4.078 50 0 FIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C ZINC000021032878 571332312 /nfs/dbraw/zinc/33/23/12/571332312.db2.gz NFBLISBWZOCUGC-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)ccc1Cl ZINC000096179267 571334798 /nfs/dbraw/zinc/33/47/98/571334798.db2.gz JKKDYJVTTUXDNL-FPLPWBNLSA-N -1 0 372.229 4.104 50 0 FIAARM Cc1ccc(-c2cc3ncc(C(=O)c4cc(Cl)ccc4[O-])cn3n2)cc1 ZINC000021729219 571335972 /nfs/dbraw/zinc/33/59/72/571335972.db2.gz UTBAOZUCFPEHAD-UHFFFAOYSA-N -1 0 363.804 4.295 50 0 FIAARM O=S(=O)([N-]c1cc(-c2ccccc2)no1)c1cc(Cl)ccc1Cl ZINC000028248927 571338870 /nfs/dbraw/zinc/33/88/70/571338870.db2.gz NQWJHTCXYKABHS-UHFFFAOYSA-N -1 0 369.229 4.449 50 0 FIAARM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1Cl ZINC000002630655 571339627 /nfs/dbraw/zinc/33/96/27/571339627.db2.gz HUDNIIARNQSSLS-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000003043413 571343956 /nfs/dbraw/zinc/34/39/56/571343956.db2.gz GOPMUSWHIVWLTR-UHFFFAOYSA-N -1 0 355.850 4.436 50 0 biogenic FIAARM CC(=NNc1cc(C(=O)[O-])ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000254868264 1086377093 /nfs/dbraw/zinc/37/70/93/1086377093.db2.gz SUGRCAJGGLLAAO-UHFFFAOYSA-N -1 0 368.176 4.436 50 0 FIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001046010 219357194 /nfs/dbraw/zinc/35/71/94/219357194.db2.gz UXAILUBQNRXBGU-ZETCQYMHSA-N -1 0 357.250 4.164 50 0 FIAARM CCOc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)[O-])cc1 ZINC000001088596 219367220 /nfs/dbraw/zinc/36/72/20/219367220.db2.gz AOVBKLOZAUDWCY-OXJNMPFZSA-N -1 0 369.461 4.220 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])n2)c(C)c1 ZINC000001117314 219372209 /nfs/dbraw/zinc/37/22/09/219372209.db2.gz GQRCXXOFLDABNH-HUUCEWRRSA-N -1 0 356.447 4.032 50 0 FIAARM CCC(CC)(CC(=O)Nc1ccc2nc(SC)sc2c1)C(=O)[O-] ZINC000011256528 209556833 /nfs/dbraw/zinc/55/68/33/209556833.db2.gz VTVCQBJYOGIZRP-UHFFFAOYSA-N -1 0 352.481 4.238 50 0 FIAARM CCOC(=O)c1cnc2c(C)cccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000953648 209385002 /nfs/dbraw/zinc/38/50/02/209385002.db2.gz LDDPYPOFIXHAPX-UHFFFAOYSA-N -1 0 364.401 4.470 50 0 FIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCCCCC1 ZINC000002970454 209398032 /nfs/dbraw/zinc/39/80/32/209398032.db2.gz MYPIQIJBPFRRPK-UHFFFAOYSA-N -1 0 373.522 4.022 50 0 FIAARM COc1ccc(-c2nc(-c3cc4ccc([O-])cc4oc3=O)cs2)cc1 ZINC000002195116 209396161 /nfs/dbraw/zinc/39/61/61/209396161.db2.gz AZSFLDOKLAAQJP-UHFFFAOYSA-N -1 0 351.383 4.298 50 0 FIAARM COc1ccc2nc(-c3cc(Br)ccc3O)cc(C(=O)[O-])c2c1 ZINC000002294133 209395996 /nfs/dbraw/zinc/39/59/96/209395996.db2.gz BMKNSVPKXNEFTH-UHFFFAOYSA-N -1 0 374.190 4.077 50 0 FIAARM CCn1c2ccc(C(=O)[O-])cc2nc1/C(Cl)=C\c1ccc(OC)c(O)c1 ZINC000096792065 209158021 /nfs/dbraw/zinc/15/80/21/209158021.db2.gz BDZMAWHCXJAPGC-MDWZMJQESA-N -1 0 372.808 4.206 50 0 FIAARM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1Br ZINC000096766132 209156815 /nfs/dbraw/zinc/15/68/15/209156815.db2.gz UDRGJFBBEVJYIG-YWEYNIOJSA-N -1 0 361.191 4.052 50 0 FIAARM Cc1ccc(C)c(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002149948 206902180 /nfs/dbraw/zinc/90/21/80/206902180.db2.gz GEVSBEUVXLGOHH-UHFFFAOYSA-N -1 0 366.413 4.233 50 0 biogenic FIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002737983 206930227 /nfs/dbraw/zinc/93/02/27/206930227.db2.gz HZCIMJLAYGKQHT-KGLIPLIRSA-N -1 0 362.426 4.087 50 0 FIAARM COc1ccc(-c2nnc([N-]c3nc4c(cccc4OC)s3)o2)cc1 ZINC000004119217 207002006 /nfs/dbraw/zinc/00/20/06/207002006.db2.gz FBCSWQRNKAYAGY-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM CCOc1c(Br)cc(C(=O)[O-])cc1OCc1ccccc1 ZINC000004419138 207020143 /nfs/dbraw/zinc/02/01/43/207020143.db2.gz VQAPJSFUANTNFN-UHFFFAOYSA-N -1 0 351.196 4.125 50 0 FIAARM CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000004649202 207033892 /nfs/dbraw/zinc/03/38/92/207033892.db2.gz DZVLONPTRXOCBT-UHFFFAOYSA-N -1 0 354.189 4.343 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccc(OC2CCCC2)cc1 ZINC000004654002 207035775 /nfs/dbraw/zinc/03/57/75/207035775.db2.gz UDSVOBVIHOQAEH-MRXNPFEDSA-N -1 0 359.447 4.015 50 0 FIAARM CC(C)C[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000004576659 207029821 /nfs/dbraw/zinc/02/98/21/207029821.db2.gz RDVHQMIBJLJZNQ-SXYIGIQMSA-N -1 0 369.505 4.384 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000004598955 207030580 /nfs/dbraw/zinc/03/05/80/207030580.db2.gz FHSBIDGOYLEMNL-WOJBJXKFSA-N -1 0 367.445 4.138 50 0 FIAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(Cc3ccccc3)c2)cc1 ZINC000004776246 207048224 /nfs/dbraw/zinc/04/82/24/207048224.db2.gz VDTVAQAASLSJSV-UHFFFAOYSA-N -1 0 364.466 4.242 50 0 FIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000004868771 207057190 /nfs/dbraw/zinc/05/71/90/207057190.db2.gz CXQCYQQXIWJFHD-UHFFFAOYSA-N -1 0 370.792 4.183 50 0 FIAARM Cc1ccc(NC(=O)CCCC(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000004821110 207050860 /nfs/dbraw/zinc/05/08/60/207050860.db2.gz NYANEHMZZQYXCQ-UHFFFAOYSA-N -1 0 374.824 4.094 50 0 FIAARM Cc1ccc2c(c1)c(CC(=O)Nc1ccc(C(C)C)cc1)c(C(=O)[O-])n2C ZINC000004821802 207051300 /nfs/dbraw/zinc/05/13/00/207051300.db2.gz OXICDAHMWAOJBE-UHFFFAOYSA-N -1 0 364.445 4.490 50 0 FIAARM CC1(C)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@@]1(C)C(=O)[O-] ZINC000004951524 207064921 /nfs/dbraw/zinc/06/49/21/207064921.db2.gz MXGLQOFTKFXYIA-LRDDRELGSA-N -1 0 359.344 4.051 50 0 FIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000005017672 207072352 /nfs/dbraw/zinc/07/23/52/207072352.db2.gz ZBXDILHDMKPLCT-UXHICEINSA-N -1 0 363.457 4.339 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005093739 207080910 /nfs/dbraw/zinc/08/09/10/207080910.db2.gz HHEMGGFHWUTMJO-LEWJYISDSA-N -1 0 365.473 4.216 50 0 FIAARM Cc1ccc(CSc2nc3c(c(SCC(=O)[O-])n2)CCCC3)cc1 ZINC000005541259 207105097 /nfs/dbraw/zinc/10/50/97/207105097.db2.gz RHUICIKUFJGMKU-UHFFFAOYSA-N -1 0 360.504 4.133 50 0 FIAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)c(OC)c1 ZINC000005787991 207116661 /nfs/dbraw/zinc/11/66/61/207116661.db2.gz YHEAZLQMOCXNHP-UKTHLTGXSA-N -1 0 355.415 4.329 50 0 FIAARM CCCc1ccc(S(=O)(=O)[N-]c2nc3ccc(OC)cc3s2)cc1 ZINC000005940338 207123390 /nfs/dbraw/zinc/12/33/90/207123390.db2.gz YDAROEMRGFZUDH-UHFFFAOYSA-N -1 0 362.476 4.058 50 0 FIAARM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(Cl)s1 ZINC000006238645 207135234 /nfs/dbraw/zinc/13/52/34/207135234.db2.gz OLFHWIKZBYFSJF-UHFFFAOYSA-N -1 0 364.879 4.188 50 0 FIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F ZINC000006623195 207150162 /nfs/dbraw/zinc/15/01/62/207150162.db2.gz FPQFUBCAVLJKRJ-UHFFFAOYSA-N -1 0 353.724 4.299 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2O)nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000006733043 207158992 /nfs/dbraw/zinc/15/89/92/207158992.db2.gz GVZWCVFBDVUSFW-UHFFFAOYSA-N -1 0 365.776 4.349 50 0 FIAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)c1 ZINC000006748973 207160192 /nfs/dbraw/zinc/16/01/92/207160192.db2.gz OLWZOVNHIXXQMZ-UHFFFAOYSA-N -1 0 359.385 4.307 50 0 FIAARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc2c1OCO2 ZINC000007748107 207205256 /nfs/dbraw/zinc/20/52/56/207205256.db2.gz ITTMOXHOTQPRPX-WUXMJOGZSA-N -1 0 369.398 4.049 50 0 FIAARM CC(C)c1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000008729935 207244581 /nfs/dbraw/zinc/24/45/81/207244581.db2.gz PIYIFZMOYJCEOW-CTNGQTDRSA-N -1 0 351.446 4.375 50 0 FIAARM CCn1c(S[C@@H](C(=O)[O-])c2ccccc2)nnc1-c1cccc(C)c1 ZINC000009048828 207255352 /nfs/dbraw/zinc/25/53/52/207255352.db2.gz ZXGHZNDMQMNSBJ-MRXNPFEDSA-N -1 0 353.447 4.191 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c1 ZINC000009686797 207281829 /nfs/dbraw/zinc/28/18/29/207281829.db2.gz VQZQOLUMTGEAIX-UHFFFAOYSA-N -1 0 361.492 4.118 50 0 FIAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011565860 207314963 /nfs/dbraw/zinc/31/49/63/207314963.db2.gz GJGVNQHKLSENEP-UHFFFAOYSA-N -1 0 362.495 4.359 50 0 FIAARM Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C(=O)[O-] ZINC000012394307 207370242 /nfs/dbraw/zinc/37/02/42/207370242.db2.gz WHLDXZNLIXOARA-SSDOTTSWSA-N -1 0 359.373 4.046 50 0 FIAARM COc1cccc(-c2[nH]nc3nc(-c4cccc(C)c4)cc(C(=O)[O-])c32)c1 ZINC000013363598 207459252 /nfs/dbraw/zinc/45/92/52/207459252.db2.gz GVMOVNCWXISFNG-UHFFFAOYSA-N -1 0 359.385 4.307 50 0 FIAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000032098945 208025271 /nfs/dbraw/zinc/02/52/71/208025271.db2.gz YCOKHLLBKVPWOZ-CFVMTHIKSA-N -1 0 353.846 4.202 50 0 FIAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000040266737 208244099 /nfs/dbraw/zinc/24/40/99/208244099.db2.gz HYFLRHUTTWYBOX-ZDUSSCGKSA-N -1 0 366.870 4.001 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967550 208344463 /nfs/dbraw/zinc/34/44/63/208344463.db2.gz LWKITBQEGHJDLJ-UHFFFAOYSA-N -1 0 352.434 4.326 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000046053403 208356684 /nfs/dbraw/zinc/35/66/84/208356684.db2.gz RPZVORDAPSMZTE-UHFFFAOYSA-N -1 0 352.434 4.326 50 0 FIAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1 ZINC000095373838 209036063 /nfs/dbraw/zinc/03/60/63/209036063.db2.gz HHJINSFGAROZCX-AWEZNQCLSA-N -1 0 361.800 4.197 50 0 FIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2ccsc2)cc1 ZINC000095477501 209058245 /nfs/dbraw/zinc/05/82/45/209058245.db2.gz JITZXCQQEWGCCU-HNNXBMFYSA-N -1 0 371.443 4.056 50 0 FIAARM Cc1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)cc1 ZINC000065150561 221172388 /nfs/dbraw/zinc/17/23/88/221172388.db2.gz IOILXDQBRDOLGW-UHFFFAOYSA-N -1 0 368.458 4.125 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588707 136133312 /nfs/dbraw/zinc/13/33/12/136133312.db2.gz VLTMUJHPEMBXHW-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)c1ccccc1Cl ZINC000064588690 136133321 /nfs/dbraw/zinc/13/33/21/136133321.db2.gz SCLDTVTYIJIPJI-UHFFFAOYSA-N -1 0 358.825 4.281 50 0 FIAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1 ZINC000064820293 136133765 /nfs/dbraw/zinc/13/37/65/136133765.db2.gz XFZUJTUPLZLXOK-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1 ZINC000004581234 263334471 /nfs/dbraw/zinc/33/44/71/263334471.db2.gz GXJVUSKLBRBDDC-KRWDZBQOSA-N -1 0 361.825 4.073 50 0 FIAARM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000252695333 525350936 /nfs/dbraw/zinc/35/09/36/525350936.db2.gz YJPIDPAGJSWWBE-CMXRIWHBSA-N -1 0 372.461 4.025 50 0 biogenic FIAARM O=C([O-])c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC000087043345 526367248 /nfs/dbraw/zinc/36/72/48/526367248.db2.gz KRRSDMPUICWCLM-UHFFFAOYSA-N -1 0 363.369 4.017 50 0 FIAARM O=C([O-])CC1(CNC(=O)C[C@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000218428556 527568740 /nfs/dbraw/zinc/56/87/40/527568740.db2.gz OBBPCGARAXMEOW-SFHVURJKSA-N -1 0 369.461 4.343 50 0 FIAARM O=C([O-])CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000000622002 570438287 /nfs/dbraw/zinc/43/82/87/570438287.db2.gz CQAGUAUKAZHOSU-UHFFFAOYSA-N -1 0 365.429 4.122 50 0 FIAARM COc1cc2cccnc2c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001158488 570485540 /nfs/dbraw/zinc/48/55/40/570485540.db2.gz IKJNIILAEOEKNA-UHFFFAOYSA-N -1 0 364.426 4.197 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])n2)c(C)c1 ZINC000001199905 570491699 /nfs/dbraw/zinc/49/16/99/570491699.db2.gz LSTGYEAPORVPFO-HUUCEWRRSA-N -1 0 358.463 4.256 50 0 FIAARM O=C([O-])CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002149700 570515147 /nfs/dbraw/zinc/51/51/47/570515147.db2.gz FPCPONSZWYDXRD-UHFFFAOYSA-N -1 0 353.418 4.170 50 0 FIAARM O=C([O-])C1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002386622 570520415 /nfs/dbraw/zinc/52/04/15/570520415.db2.gz RIZQTCLNVHZQOO-UHFFFAOYSA-N -1 0 365.429 4.169 50 0 FIAARM CC(C)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389791 570520509 /nfs/dbraw/zinc/52/05/09/570520509.db2.gz OUZCJOWFPXNEOV-HXUWFJFHSA-N -1 0 367.445 4.415 50 0 FIAARM O=C([O-])c1csc(-n2nc(/C=C/c3ccccc3)cc2C(F)(F)F)n1 ZINC000033416452 570526797 /nfs/dbraw/zinc/52/67/97/570526797.db2.gz LFPUQHWQRPZNJK-VOTSOKGWSA-N -1 0 365.336 4.216 50 0 FIAARM C[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(=O)[O-] ZINC000002882095 570542349 /nfs/dbraw/zinc/54/23/49/570542349.db2.gz HEAYNQCRWKRREM-GFCCVEGCSA-N -1 0 365.414 4.246 50 0 FIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1C ZINC000002882789 570542720 /nfs/dbraw/zinc/54/27/20/570542720.db2.gz VRAADPSLKBWCME-UHFFFAOYSA-N -1 0 369.870 4.165 50 0 FIAARM COc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c2c1 ZINC000003269686 570556206 /nfs/dbraw/zinc/55/62/06/570556206.db2.gz RPQNQYFMZUVGTK-UHFFFAOYSA-N -1 0 358.191 4.371 50 0 FIAARM CCCc1cc2c([O-])c(-c3nc4ccccc4s3)c(=O)oc2cc1O ZINC000011865280 570597155 /nfs/dbraw/zinc/59/71/55/570597155.db2.gz LNCRFJZDEQUCCQ-UHFFFAOYSA-N -1 0 353.399 4.433 50 0 FIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3oc4ccccc4c3c1)C2=O ZINC000004322208 570666611 /nfs/dbraw/zinc/66/66/11/570666611.db2.gz USVDFBWQKOLJKN-UHFFFAOYSA-N -1 0 357.321 4.085 50 0 FIAARM O=C([O-])c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 ZINC000005631047 570682804 /nfs/dbraw/zinc/68/28/04/570682804.db2.gz NSRVRMKKWVBOJD-UHFFFAOYSA-N -1 0 359.491 4.480 50 0 FIAARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4cccc(C)c4nc-3[n-]2)cc1 ZINC000004321207 570697150 /nfs/dbraw/zinc/69/71/50/570697150.db2.gz YODUIVLFODVJNP-UHFFFAOYSA-N -1 0 373.464 4.107 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C2SCCCS2)c1 ZINC000013468307 570777768 /nfs/dbraw/zinc/77/77/68/570777768.db2.gz OWHVAFQFQVPHEV-LSDHHAIUSA-N -1 0 363.504 4.161 50 0 FIAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000013556476 570779403 /nfs/dbraw/zinc/77/94/03/570779403.db2.gz BKOFIZJEIBKKCA-SJCJKPOMSA-N -1 0 367.405 4.116 50 0 FIAARM CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000013943958 570798400 /nfs/dbraw/zinc/79/84/00/570798400.db2.gz FQXOFVRLWNHDCK-UHFFFAOYSA-N -1 0 354.406 4.012 50 0 FIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3C)sc2c1 ZINC000013948041 570798767 /nfs/dbraw/zinc/79/87/67/570798767.db2.gz HGSCBMVQPNYTHY-UHFFFAOYSA-N -1 0 362.476 4.113 50 0 FIAARM CC(C)(c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)C(F)(F)F ZINC000583651202 570812050 /nfs/dbraw/zinc/81/20/50/570812050.db2.gz GXDWOYCRIWDXQY-UHFFFAOYSA-N -1 0 351.324 4.477 50 0 FIAARM CC[C@@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000014632505 570821406 /nfs/dbraw/zinc/82/14/06/570821406.db2.gz WJMBJZGTUSCZQK-COXVUDFISA-N -1 0 363.454 4.042 50 0 FIAARM COc1ccc(Cn2c(=O)c3sc4ccccc4c3[n-]c2=S)cc1 ZINC000102723818 570861059 /nfs/dbraw/zinc/86/10/59/570861059.db2.gz KZQCZCQTRGZTMA-UHFFFAOYSA-N -1 0 354.456 4.331 50 0 FIAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000601013343 570993910 /nfs/dbraw/zinc/99/39/10/570993910.db2.gz IUXAQXHMVAZGGR-RBUKOAKNSA-N -1 0 367.445 4.217 50 0 FIAARM CCCCCOc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl ZINC000027824362 571022375 /nfs/dbraw/zinc/02/23/75/571022375.db2.gz LKWOBJYLDXUONY-UHFFFAOYSA-N -1 0 354.859 4.105 50 0 FIAARM O=C([O-])c1ccccc1C(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000001305380 571048642 /nfs/dbraw/zinc/04/86/42/571048642.db2.gz NJRTVPNWIAJGMF-INIZCTEOSA-N -1 0 367.376 4.069 50 0 FIAARM C=C1C[C@H](O)[C@H](C/C=C\CCCC(=O)[O-])[C@H]1/C=C/[C@H](O)CCCCC ZINC000027639341 571128162 /nfs/dbraw/zinc/12/81/62/571128162.db2.gz ROZAFJXVUNORLT-OKGRSGSSSA-N -1 0 350.499 4.238 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C ZINC000000950003 571139758 /nfs/dbraw/zinc/13/97/58/571139758.db2.gz OAZITJUUAWYFTF-BTYAOQFQSA-N -1 0 360.494 4.066 50 0 FIAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414246 571158787 /nfs/dbraw/zinc/15/87/87/571158787.db2.gz RVHHTJBZVINLNC-UHFFFAOYSA-N -1 0 356.447 4.168 50 0 FIAARM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237530790 571167382 /nfs/dbraw/zinc/16/73/82/571167382.db2.gz IDEGDHQDGNRKMQ-ZIAGYGMSSA-N -1 0 371.399 4.302 50 0 FIAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)Nc3ccccc3Cl)C2)c1 ZINC000072121671 571170136 /nfs/dbraw/zinc/17/01/36/571170136.db2.gz QSUHNYJUMVPSSR-AWEZNQCLSA-N -1 0 358.825 4.135 50 0 FIAARM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000012551129 571179460 /nfs/dbraw/zinc/17/94/60/571179460.db2.gz FUXKJHVJMCPITB-UHFFFAOYSA-N -1 0 357.369 4.180 50 0 FIAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2)cc1 ZINC000003623504 571186219 /nfs/dbraw/zinc/18/62/19/571186219.db2.gz ASSIBYBNFNOMRO-QGZVFWFLSA-N -1 0 361.825 4.075 50 0 FIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072431185 571195792 /nfs/dbraw/zinc/19/57/92/571195792.db2.gz RHVOWNIPUKLGCD-MRXNPFEDSA-N -1 0 373.815 4.428 50 0 FIAARM COc1cccc(-c2coc3cc4oc(=O)c(CC(=O)[O-])c(C)c4cc32)c1 ZINC000002146610 571204054 /nfs/dbraw/zinc/20/40/54/571204054.db2.gz RZMZNWGCYIZVAX-UHFFFAOYSA-N -1 0 364.353 4.150 50 0 biogenic FIAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000004026452 571204243 /nfs/dbraw/zinc/20/42/43/571204243.db2.gz QEBVVDWYFAONRZ-UHFFFAOYSA-N -1 0 360.749 4.011 50 0 biogenic FIAARM Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(C)c2)on1 ZINC000064979659 571248244 /nfs/dbraw/zinc/24/82/44/571248244.db2.gz QCFWRCJPKOAHHV-UHFFFAOYSA-N -1 0 356.447 4.376 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1Cl ZINC000065031107 571250900 /nfs/dbraw/zinc/25/09/00/571250900.db2.gz LUSNMQSVNHLAQM-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000065183492 571256029 /nfs/dbraw/zinc/25/60/29/571256029.db2.gz XBWHDMZERHECTG-UHFFFAOYSA-N -1 0 369.899 4.282 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)s1 ZINC000065183512 571256036 /nfs/dbraw/zinc/25/60/36/571256036.db2.gz HRGMDOOSXZWKFX-UHFFFAOYSA-N -1 0 363.508 4.245 50 0 FIAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)cc2C)c1=O ZINC000065215499 571256752 /nfs/dbraw/zinc/25/67/52/571256752.db2.gz DYFSRQMJCAVXBI-UHFFFAOYSA-N -1 0 356.447 4.048 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1 ZINC000065246449 571257517 /nfs/dbraw/zinc/25/75/17/571257517.db2.gz MQWNTENHUHZXPV-UHFFFAOYSA-N -1 0 373.434 4.096 50 0 FIAARM CCc1ccc(-c2noc(-c3c([O-])c4cccc(Cl)c4[nH]c3=O)n2)cc1 ZINC000065248615 571257578 /nfs/dbraw/zinc/25/75/78/571257578.db2.gz XZTNUPACEHHBHZ-UHFFFAOYSA-N -1 0 367.792 4.167 50 0 FIAARM O=C([O-])c1ccc(Nc2c(-c3cccc(Cl)c3)nc3cnccn32)cc1 ZINC000065322756 571261715 /nfs/dbraw/zinc/26/17/15/571261715.db2.gz LRTNQRBASDJYRB-UHFFFAOYSA-N -1 0 364.792 4.492 50 0 FIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C)c1=O ZINC000002271554 571294372 /nfs/dbraw/zinc/29/43/72/571294372.db2.gz RDFNLEIODHBOEU-UHFFFAOYSA-N -1 0 364.445 4.458 50 0 FIAARM COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253398160 571311990 /nfs/dbraw/zinc/31/19/90/571311990.db2.gz BZERRCYVNCNEDV-SFHVURJKSA-N -1 0 374.392 4.073 50 0 biogenic FIAARM Cc1nc(-c2cccc(C(=O)N3CCCCCCC3)c2)c(Cl)c(=O)[n-]1 ZINC000584885093 571313557 /nfs/dbraw/zinc/31/35/57/571313557.db2.gz HQDJJDNPQPQWNG-UHFFFAOYSA-N -1 0 359.857 4.217 50 0 FIAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000002310517 571317621 /nfs/dbraw/zinc/31/76/21/571317621.db2.gz XTYVIHBWMOVESC-GFCCVEGCSA-N -1 0 352.217 4.266 50 0 FIAARM Cc1c(OCc2ccc(Cl)cc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002385689 571321075 /nfs/dbraw/zinc/32/10/75/571321075.db2.gz BUVOJEVXYKYSCW-UHFFFAOYSA-N -1 0 372.804 4.269 50 0 FIAARM Cc1cccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000328596958 571323728 /nfs/dbraw/zinc/32/37/28/571323728.db2.gz BVTSQMQBKRKYRS-GOSISDBHSA-N -1 0 370.836 4.191 50 0 FIAARM COc1ccc(-c2c/c(=N\CCCC(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000019792886 571327305 /nfs/dbraw/zinc/32/73/05/571327305.db2.gz OZSNAPNWXCGVEU-RELWKKBWSA-N -1 0 351.402 4.182 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(Cl)c1Cl ZINC000003388478 571348872 /nfs/dbraw/zinc/34/88/72/571348872.db2.gz KTLINCHOLDQUOY-UHFFFAOYSA-N -1 0 360.262 4.420 50 0 FIAARM O=C([O-])CCC(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000003900852 571353118 /nfs/dbraw/zinc/35/31/18/571353118.db2.gz QDURSMIDJRXEJV-UHFFFAOYSA-N -1 0 352.415 4.280 50 0 FIAARM CCCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccc(CC)cc1 ZINC000003906741 571353179 /nfs/dbraw/zinc/35/31/79/571353179.db2.gz RIFPFXGRURZGCJ-UHFFFAOYSA-N -1 0 364.445 4.414 50 0 FIAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000005021090 1086480531 /nfs/dbraw/zinc/48/05/31/1086480531.db2.gz RWTYLBIVNSJGRD-UHFFFAOYSA-N -1 0 359.234 4.310 50 0 FIAARM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262224255 1093451336 /nfs/dbraw/zinc/45/13/36/1093451336.db2.gz RKCBLWJKAAHXFU-QGZVFWFLSA-N -1 0 355.434 4.049 50 0 FIAARM CCc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000621574987 1102198272 /nfs/dbraw/zinc/19/82/72/1102198272.db2.gz UYURDEHSBYYCGS-UHFFFAOYSA-N -1 0 359.809 4.202 50 0 FIAARM COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000033621269 1122784850 /nfs/dbraw/zinc/78/48/50/1122784850.db2.gz ITWSNYABEWGWGX-KAMYIIQDSA-N -1 0 361.397 4.437 50 0 FIAARM O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1[O-] ZINC000000537985 210250379 /nfs/dbraw/zinc/25/03/79/210250379.db2.gz YALKQBRWLMDVSA-UHFFFAOYSA-N -1 0 371.028 4.170 50 0 in-man FIAARM CCCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1cccc(C)c1 ZINC000000201586 210248533 /nfs/dbraw/zinc/24/85/33/210248533.db2.gz FXRQBDSFGODIEZ-UHFFFAOYSA-N -1 0 350.418 4.160 50 0 FIAARM Cc1nc2ccccn2c1-c1csc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000000073572 210247897 /nfs/dbraw/zinc/24/78/97/210247897.db2.gz HWMKUNFOEFZKOS-UHFFFAOYSA-N -1 0 350.403 4.208 50 0 FIAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc2c1OCO2 ZINC000096767519 210240690 /nfs/dbraw/zinc/24/06/90/210240690.db2.gz ITTMOXHOTQPRPX-SDQBBNPISA-N -1 0 369.398 4.049 50 0 FIAARM COc1cccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1 ZINC000005607398 210229448 /nfs/dbraw/zinc/22/94/48/210229448.db2.gz NXEBGESXKOLKCG-UHFFFAOYSA-N -1 0 352.264 4.318 50 0 biogenic FIAARM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2ccccc2)[C@H]1c1ccccc1 ZINC000247379385 210213080 /nfs/dbraw/zinc/21/30/80/210213080.db2.gz IWZLOIAVWMAQKN-COPRSSIGSA-N -1 0 372.420 4.490 50 0 FIAARM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237328091 222906937 /nfs/dbraw/zinc/90/69/37/222906937.db2.gz RYDMYMOBSRRONH-UONOGXRCSA-N -1 0 371.399 4.302 50 0 FIAARM CSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000006940638 219782667 /nfs/dbraw/zinc/78/26/67/219782667.db2.gz PDOURVSEASVKPZ-UHFFFAOYSA-N -1 0 355.337 4.378 50 0 FIAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)s2)o1 ZINC000064920051 212048199 /nfs/dbraw/zinc/04/81/99/212048199.db2.gz QHWZBTAVNQVJBB-UHFFFAOYSA-N -1 0 363.464 4.031 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)c(C)c1 ZINC000064759962 212044162 /nfs/dbraw/zinc/04/41/62/212044162.db2.gz MXRKMPJKPBDCEX-UHFFFAOYSA-N -1 0 357.479 4.110 50 0 FIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1 ZINC000064759959 212044187 /nfs/dbraw/zinc/04/41/87/212044187.db2.gz LVPXMXAVFIXCED-UHFFFAOYSA-N -1 0 357.479 4.110 50 0 FIAARM Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000061720438 212025429 /nfs/dbraw/zinc/02/54/29/212025429.db2.gz BGEAGRJJVKBLAV-LBPRGKRZSA-N -1 0 368.414 4.192 50 0 FIAARM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc([O-])c(Cl)c1 ZINC000060632659 212023396 /nfs/dbraw/zinc/02/33/96/212023396.db2.gz DMTBAWIAGUOGTJ-UHFFFAOYSA-N -1 0 374.805 4.150 50 0 FIAARM C[C@](CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000013250081 220062257 /nfs/dbraw/zinc/06/22/57/220062257.db2.gz OMEBGDVRDFRTFO-QGZVFWFLSA-N -1 0 352.217 4.365 50 0 FIAARM CN(C)c1nc(Cl)c(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)s1 ZINC000048333066 211872150 /nfs/dbraw/zinc/87/21/50/211872150.db2.gz UYIGVULGCMYYRN-BQYQJAHWSA-N -1 0 359.838 4.279 50 0 FIAARM COc1ccc(-c2cc(=O)n3[n-]cc(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000071405459 211684970 /nfs/dbraw/zinc/68/49/70/211684970.db2.gz FUJBFNOIIHWPPN-UHFFFAOYSA-N -1 0 351.793 4.019 50 0 FIAARM O=c1c(-c2nc(-c3cccc(Br)c3)no2)c[n-]c2ccccc21 ZINC000020721322 211293181 /nfs/dbraw/zinc/29/31/81/211293181.db2.gz PGEJEJFNSJWWRJ-UHFFFAOYSA-N -1 0 368.190 4.008 50 0 FIAARM CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)[O-])c3n2)s1 ZINC000020349738 211277891 /nfs/dbraw/zinc/27/78/91/211277891.db2.gz MSRYKBZFXXPDJU-UHFFFAOYSA-N -1 0 369.368 4.134 50 0 FIAARM O=C1N=C(SCc2ccc(Cl)cc2)N=C([O-])C1Cc1ccccc1 ZINC000017945636 211188357 /nfs/dbraw/zinc/18/83/57/211188357.db2.gz QLCOPJMEIRNGIU-UHFFFAOYSA-N -1 0 358.850 4.012 50 0 FIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000015677225 211136216 /nfs/dbraw/zinc/13/62/16/211136216.db2.gz HHGMZWLFBCIXDL-UHFFFAOYSA-N -1 0 359.385 4.389 50 0 FIAARM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632732 211097004 /nfs/dbraw/zinc/09/70/04/211097004.db2.gz OZJGKTWSHFVPPN-LJQANCHMSA-N -1 0 367.445 4.415 50 0 FIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000013331872 211030899 /nfs/dbraw/zinc/03/08/99/211030899.db2.gz IYCZALGWXWVARX-LLVKDONJSA-N -1 0 369.284 4.158 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1 ZINC000006887679 210714014 /nfs/dbraw/zinc/71/40/14/210714014.db2.gz IWWVXXUTXLCBGA-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005093736 210598463 /nfs/dbraw/zinc/59/84/63/210598463.db2.gz HHEMGGFHWUTMJO-NHCUHLMSSA-N -1 0 365.473 4.216 50 0 FIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000003624686 210489824 /nfs/dbraw/zinc/48/98/24/210489824.db2.gz AYULTRPGSKOZKK-JXFKEZNVSA-N -1 0 369.461 4.300 50 0 FIAARM CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000002300142 210390661 /nfs/dbraw/zinc/39/06/61/210390661.db2.gz ZEWUBIZMADSXAV-UHFFFAOYSA-N -1 0 361.825 4.353 50 0 FIAARM O=C([O-])/C=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000002140889 210379677 /nfs/dbraw/zinc/37/96/77/210379677.db2.gz JVHLPQYMIURJIF-QPJJXVBHSA-N -1 0 351.171 4.265 50 0 FIAARM CCOc1ccc2nc([N-]c3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000001849318 210372974 /nfs/dbraw/zinc/37/29/74/210372974.db2.gz BTNFKUJDRXQWGT-UHFFFAOYSA-N -1 0 363.343 4.198 50 0 FIAARM Cc1ccc(C[C@H](CC(=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001162758 210327770 /nfs/dbraw/zinc/32/77/70/210327770.db2.gz ZSSHRUJUTAIOLP-CQSZACIVSA-N -1 0 365.351 4.286 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001135455 210323588 /nfs/dbraw/zinc/32/35/88/210323588.db2.gz ZWSQVODZCAVOHN-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)cc1 ZINC000001131313 210322405 /nfs/dbraw/zinc/32/24/05/210322405.db2.gz PABPYTBUAFKIGN-UHFFFAOYSA-N -1 0 369.442 4.172 50 0 FIAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000001070823 210313651 /nfs/dbraw/zinc/31/36/51/210313651.db2.gz KHMHYAZORYNOMT-UHFFFAOYSA-N -1 0 353.871 4.410 50 0 FIAARM Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000991208 210298501 /nfs/dbraw/zinc/29/85/01/210298501.db2.gz SNRATQFBTLMJHB-ZWKOTPCHSA-N -1 0 351.402 4.393 50 0 FIAARM CC(=C([O-])c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001038939 210307024 /nfs/dbraw/zinc/30/70/24/210307024.db2.gz IVLIGSJHPSNMJY-LLVKDONJSA-N -1 0 357.258 4.347 50 0 FIAARM CC(C)(C)c1ccc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)cc1 ZINC000000945147 210294531 /nfs/dbraw/zinc/29/45/31/210294531.db2.gz KXNVZHWDYACWDB-UHFFFAOYSA-N -1 0 368.385 4.346 50 0 FIAARM O=C([O-])c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000821052 210276079 /nfs/dbraw/zinc/27/60/79/210276079.db2.gz BICCDARBUKIKMR-UHFFFAOYSA-N -1 0 357.413 4.395 50 0 FIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064979417 221160954 /nfs/dbraw/zinc/16/09/54/221160954.db2.gz UWVMEPSHKJKXQY-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2ccno2)cc1OC ZINC000064979572 221160963 /nfs/dbraw/zinc/16/09/63/221160963.db2.gz BZUBXPHISMLFGM-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064947012 221157482 /nfs/dbraw/zinc/15/74/82/221157482.db2.gz WQZYKAWYEMOKPF-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)s1 ZINC000065031238 221165058 /nfs/dbraw/zinc/16/50/58/221165058.db2.gz NPGFPEUZAPINIB-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)c1C ZINC000065031212 221165231 /nfs/dbraw/zinc/16/52/31/221165231.db2.gz VWLFEMYJAMSZPR-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000065112422 221169576 /nfs/dbraw/zinc/16/95/76/221169576.db2.gz BJAMRZZNOWHCFE-UHFFFAOYSA-N -1 0 361.492 4.049 50 0 FIAARM CC(C)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cccnc21 ZINC000065242299 221186193 /nfs/dbraw/zinc/18/61/93/221186193.db2.gz COFIWRRWSZRBOB-UHFFFAOYSA-N -1 0 363.870 4.147 50 0 FIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2C(F)(F)F ZINC000066089623 221240675 /nfs/dbraw/zinc/24/06/75/221240675.db2.gz HOTGSCWPCSPMJT-MRVPVSSYSA-N -1 0 359.300 4.241 50 0 FIAARM CC(C)c1[nH]nc(NC(=O)Cc2ccccc2C(=O)[O-])c1-c1ccccc1 ZINC000071284498 221339184 /nfs/dbraw/zinc/33/91/84/221339184.db2.gz CFKNKPNZJXIDGV-UHFFFAOYSA-N -1 0 363.417 4.080 50 0 FIAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(-n2cccc2)ccc1Cl ZINC000072401118 221494881 /nfs/dbraw/zinc/49/48/81/221494881.db2.gz QHEAGLPHTNZDQO-UHFFFAOYSA-N -1 0 354.793 4.010 50 0 FIAARM O=C([O-])C[C@@H](CC(=O)Oc1ccccc1N1CCCCC1)c1ccccc1 ZINC000004307662 132386752 /nfs/dbraw/zinc/38/67/52/132386752.db2.gz MZVHBIXQUOWNHI-SFHVURJKSA-N -1 0 367.445 4.231 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000046053439 136122013 /nfs/dbraw/zinc/12/20/13/136122013.db2.gz LMUZLYRZUNXWTH-AWEZNQCLSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588795 136133326 /nfs/dbraw/zinc/13/33/26/136133326.db2.gz MLPYZVJLIUXNNY-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccc2nc(C)cc(C(=O)N(C)[C@@H](CC(=O)[O-])c3ccccc3)c2c1 ZINC000095499644 221924742 /nfs/dbraw/zinc/92/47/42/221924742.db2.gz CDICUXGWNXWOMD-FQEVSTJZSA-N -1 0 362.429 4.140 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)s2)on1 ZINC000096323450 222114266 /nfs/dbraw/zinc/11/42/66/222114266.db2.gz NCVCMUHBVFLKEV-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)on1 ZINC000096323484 222114489 /nfs/dbraw/zinc/11/44/89/222114489.db2.gz PCUAYOLTFWUCFX-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM Cc1ccc(/C=C\c2nc3ccccc3c(=O)n2CCCC(=O)[O-])cc1C ZINC000097152303 222164397 /nfs/dbraw/zinc/16/43/97/222164397.db2.gz ZHOYIOHRVXFZRY-QXMHVHEDSA-N -1 0 362.429 4.049 50 0 FIAARM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(C(C)(C)C)cc3=O)cc1 ZINC000100233487 222239905 /nfs/dbraw/zinc/23/99/05/222239905.db2.gz QNXQZCAPDMIAJQ-UHFFFAOYSA-N -1 0 365.355 4.015 50 0 FIAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)cc1 ZINC000102086483 222288947 /nfs/dbraw/zinc/28/89/47/222288947.db2.gz NMFHSXKPZIITEX-UHFFFAOYSA-N -1 0 364.445 4.314 50 0 FIAARM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000072289289 570449608 /nfs/dbraw/zinc/44/96/08/570449608.db2.gz AOEGALVWZHTPBH-UHFFFAOYSA-N -1 0 371.418 4.335 50 0 FIAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000095067974 570451354 /nfs/dbraw/zinc/45/13/54/570451354.db2.gz JTBXHQAKRHGIRI-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)c1 ZINC000095375740 570457433 /nfs/dbraw/zinc/45/74/33/570457433.db2.gz QBMZNTZABVQJLV-MRXNPFEDSA-N -1 0 366.442 4.014 50 0 FIAARM COc1ccc2ncc(C(=O)[O-])c(Nc3cc(Cl)ccc3OC)c2c1 ZINC000095618443 570470408 /nfs/dbraw/zinc/47/04/08/570470408.db2.gz CGZVVXYMTOODSE-UHFFFAOYSA-N -1 0 358.781 4.347 50 0 FIAARM CC[C@H](C)[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002541555 570524605 /nfs/dbraw/zinc/52/46/05/570524605.db2.gz IQIOLCJHRZWOLS-VBKZILBWSA-N -1 0 367.445 4.367 50 0 FIAARM O=C([O-])c1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c1 ZINC000004834664 570525119 /nfs/dbraw/zinc/52/51/19/570525119.db2.gz APJOSIGSDGFGPD-BUHFOSPRSA-N -1 0 368.392 4.254 50 0 FIAARM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cn2)cc1 ZINC000034840395 570556941 /nfs/dbraw/zinc/55/69/41/570556941.db2.gz RGKRGFOXULSUAY-UHFFFAOYSA-N -1 0 372.421 4.431 50 0 FIAARM CCOc1ccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1 ZINC000004920347 570559759 /nfs/dbraw/zinc/55/97/59/570559759.db2.gz WNQOLLIDBCWNKY-UHFFFAOYSA-N -1 0 372.808 4.099 50 0 FIAARM COc1ccc(-c2nnc([N-]c3nc4cc(OC)ccc4s3)o2)cc1 ZINC000005122887 570587083 /nfs/dbraw/zinc/58/70/83/570587083.db2.gz MHJLGGUOZNYNTH-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004416335 570590679 /nfs/dbraw/zinc/59/06/79/570590679.db2.gz PGECIBNDMVQPHQ-VIFPVBQESA-N -1 0 354.189 4.098 50 0 FIAARM C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)CC(C)(C)C1 ZINC000078621999 570633647 /nfs/dbraw/zinc/63/36/47/570633647.db2.gz IXDMPSMIAGWLKX-ILXRZTDVSA-N -1 0 364.559 4.036 50 0 FIAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008470180 570682010 /nfs/dbraw/zinc/68/20/10/570682010.db2.gz GXLNWCKEJLPGPO-UHFFFAOYSA-N -1 0 371.614 4.388 50 0 FIAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 ZINC000008745265 570687132 /nfs/dbraw/zinc/68/71/32/570687132.db2.gz TYSYLJWYIHPSKL-AWEZNQCLSA-N -1 0 351.374 4.198 50 0 FIAARM Cc1nn(Cc2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395942 570741786 /nfs/dbraw/zinc/74/17/86/570741786.db2.gz FSFLHACUVGKBAB-UHFFFAOYSA-N -1 0 357.413 4.462 50 0 FIAARM CC(C)(C)c1ccc(O)c(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000012793651 570762229 /nfs/dbraw/zinc/76/22/29/570762229.db2.gz HMXZPBUXUITMAV-HNNXBMFYSA-N -1 0 359.397 4.026 50 0 FIAARM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000032833313 570819259 /nfs/dbraw/zinc/81/92/59/570819259.db2.gz FYJUPXMOOKTZBF-UHFFFAOYSA-N -1 0 360.414 4.488 50 0 FIAARM CCOCCSCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000032863420 570824511 /nfs/dbraw/zinc/82/45/11/570824511.db2.gz DDDJMRTZIBGSPW-UHFFFAOYSA-N -1 0 364.467 4.060 50 0 FIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c(C)s1 ZINC000032888164 570835476 /nfs/dbraw/zinc/83/54/76/570835476.db2.gz GGDCMKFPVPCQNF-UHFFFAOYSA-N -1 0 365.398 4.107 50 0 FIAARM CSc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000047103277 570879619 /nfs/dbraw/zinc/87/96/19/570879619.db2.gz SFURRXNWQMNEDG-SNVBAGLBSA-N -1 0 371.487 4.211 50 0 FIAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000044901185 570902314 /nfs/dbraw/zinc/90/23/14/570902314.db2.gz NOJSYDMVQUAAKJ-CYBMUJFWSA-N -1 0 356.378 4.500 50 0 FIAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccs2)c1 ZINC000046057397 570923145 /nfs/dbraw/zinc/92/31/45/570923145.db2.gz WXIUZNVEMPFZHK-OAHLLOKOSA-N -1 0 365.458 4.113 50 0 FIAARM O=c1[n-]c(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)c(F)c1 ZINC000024747900 570980876 /nfs/dbraw/zinc/98/08/76/570980876.db2.gz NNDGCCSINNJAJP-UHFFFAOYSA-N -1 0 365.792 4.468 50 0 FIAARM C[C@H](c1nc2ccccc2s1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012684418 571044106 /nfs/dbraw/zinc/04/41/06/571044106.db2.gz MPUARGRZAALPEA-SNVBAGLBSA-N -1 0 356.476 4.200 50 0 FIAARM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000052842815 571045090 /nfs/dbraw/zinc/04/50/90/571045090.db2.gz XJNHGWGXWXPJSW-MRXNPFEDSA-N -1 0 361.825 4.040 50 0 FIAARM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000052842814 571045179 /nfs/dbraw/zinc/04/51/79/571045179.db2.gz XJNHGWGXWXPJSW-INIZCTEOSA-N -1 0 361.825 4.040 50 0 FIAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1 ZINC000040309395 571093706 /nfs/dbraw/zinc/09/37/06/571093706.db2.gz UMKGYDIFTOCUSY-MRXNPFEDSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccccc2C)cc1 ZINC000009095676 571095768 /nfs/dbraw/zinc/09/57/68/571095768.db2.gz NDCPEFSARQUXBY-UHFFFAOYSA-N -1 0 362.429 4.173 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)c1C ZINC000009686662 571117142 /nfs/dbraw/zinc/11/71/42/571117142.db2.gz QFBOQZUSWJUUPY-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM Cc1c(C(=O)[O-])sc2nc(SC/C=C/c3ccccc3)nc(N)c12 ZINC000010274666 571124746 /nfs/dbraw/zinc/12/47/46/571124746.db2.gz ACYYUCIYNSTCIP-VMPITWQZSA-N -1 0 357.460 4.086 50 0 FIAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1cccs1 ZINC000004036375 571147046 /nfs/dbraw/zinc/14/70/46/571147046.db2.gz VBJJRZFKAFPTCX-UHFFFAOYSA-N -1 0 373.484 4.221 50 0 FIAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)Nc3ccccc3Cl)C2)c1 ZINC000072121670 571170090 /nfs/dbraw/zinc/17/00/90/571170090.db2.gz QSUHNYJUMVPSSR-CQSZACIVSA-N -1 0 358.825 4.135 50 0 FIAARM O=S(=O)([N-]c1ccccc1N1CCc2ccccc21)c1cccs1 ZINC000012544902 571178197 /nfs/dbraw/zinc/17/81/97/571178197.db2.gz RRXVBTQVEGYCSB-UHFFFAOYSA-N -1 0 356.472 4.243 50 0 FIAARM C[C@@H](c1ccc2c(c1)OCCCO2)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000077407802 571210423 /nfs/dbraw/zinc/21/04/23/571210423.db2.gz QERNMHLIJXZXLF-AWEZNQCLSA-N -1 0 364.401 4.019 50 0 FIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC000253433481 571316762 /nfs/dbraw/zinc/31/67/62/571316762.db2.gz XMRAOOFBWSQJRD-FQEVSTJZSA-N -1 0 364.445 4.182 50 0 FIAARM COC(=O)c1occc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000028621271 571340172 /nfs/dbraw/zinc/34/01/72/571340172.db2.gz HWEDJTVASACJDL-VAWYXSNFSA-N -1 0 363.369 4.190 50 0 FIAARM COc1ccc(-c2nnc([N-]c3nc4c(cccc4F)s3)o2)c(OC)c1 ZINC000004137695 571356010 /nfs/dbraw/zinc/35/60/10/571356010.db2.gz DYQNMTADNAMQLP-UHFFFAOYSA-N -1 0 372.381 4.246 50 0 FIAARM C[C@@H]1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000227731899 939043812 /nfs/dbraw/zinc/04/38/12/939043812.db2.gz BGHLFNKMTFSTHH-PEBXRYMYSA-N -1 0 365.429 4.169 50 0 FIAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000950757274 939809502 /nfs/dbraw/zinc/80/95/02/939809502.db2.gz OBYJYJZZIQAIPM-SCLBCKFNSA-N -1 0 353.846 4.031 50 0 FIAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000950757272 939809790 /nfs/dbraw/zinc/80/97/90/939809790.db2.gz OBYJYJZZIQAIPM-ACJLOTCBSA-N -1 0 353.846 4.031 50 0 FIAARM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(Cc2cccnc2)CC1 ZINC000332136835 1091713103 /nfs/dbraw/zinc/71/31/03/1091713103.db2.gz QBKHQRZETQLZPF-UHFFFAOYSA-N -1 0 365.260 4.189 50 0 FIAARM CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262389957 1095720045 /nfs/dbraw/zinc/72/00/45/1095720045.db2.gz KEPDNHKGDGLQOD-NSHDSACASA-N -1 0 366.339 4.022 50 0 FIAARM O=C([O-])c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000000715593 210264244 /nfs/dbraw/zinc/26/42/44/210264244.db2.gz SWCGFPYTBVJJQK-UHFFFAOYSA-N -1 0 368.392 4.469 50 0 FIAARM CC[C@H](C)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000033711877 210246698 /nfs/dbraw/zinc/24/66/98/210246698.db2.gz VHZUUIWBAYOCDD-XOBRGWDASA-N -1 0 367.445 4.415 50 0 FIAARM Cc1nc2sccn2c1-c1csc(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000000894889 219337955 /nfs/dbraw/zinc/33/79/55/219337955.db2.gz URWDEFXRILUSDQ-UHFFFAOYSA-N -1 0 356.432 4.270 50 0 FIAARM O=C([O-])CCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000001916915 219422621 /nfs/dbraw/zinc/42/26/21/219422621.db2.gz FEMGBXUNOYSLPO-XNTDXEJSSA-N -1 0 374.487 4.014 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1-c1ccno1 ZINC000064845125 212046461 /nfs/dbraw/zinc/04/64/61/212046461.db2.gz AZSCWUJHGYXOBH-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2OC(=O)c2ccco2)nc2ccccc21 ZINC000020095953 211265910 /nfs/dbraw/zinc/26/59/10/211265910.db2.gz FTZZMSOEUGESLG-UHFFFAOYSA-N -1 0 359.337 4.412 50 0 FIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2ccccc2c1 ZINC000018193248 211193173 /nfs/dbraw/zinc/19/31/73/211193173.db2.gz MZAHLYSLQKUHHS-HXUWFJFHSA-N -1 0 373.412 4.139 50 0 FIAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccncc1 ZINC000017072950 211175642 /nfs/dbraw/zinc/17/56/42/211175642.db2.gz XVTMUBYOHCTFPS-UHFFFAOYSA-N -1 0 351.456 4.231 50 0 FIAARM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(=O)oc2ccccc2c1[O-] ZINC000016525266 211163454 /nfs/dbraw/zinc/16/34/54/211163454.db2.gz CJPACTUIIXXXPO-UHFFFAOYSA-N -1 0 353.418 4.044 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 ZINC000013468311 211034286 /nfs/dbraw/zinc/03/42/86/211034286.db2.gz OWHVAFQFQVPHEV-HUUCEWRRSA-N -1 0 363.504 4.161 50 0 FIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000013004252 211019072 /nfs/dbraw/zinc/01/90/72/211019072.db2.gz JEGJOYRODOAPEI-MRXNPFEDSA-N -1 0 373.836 4.184 50 0 FIAARM Cc1c2cc(Cl)c(O[C@H](C)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000011765693 210893438 /nfs/dbraw/zinc/89/34/38/210893438.db2.gz KVOQJSGIUFDQRV-GFCCVEGCSA-N -1 0 372.804 4.198 50 0 FIAARM Cc1nc([N-]c2nc3ccccc3s2)ncc1C(=O)Nc1ccccc1 ZINC000009111621 210816473 /nfs/dbraw/zinc/81/64/73/210816473.db2.gz XZUWVXMYGNMCFO-UHFFFAOYSA-N -1 0 361.430 4.391 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000004241506 210518046 /nfs/dbraw/zinc/51/80/46/210518046.db2.gz XHDMOPQOYGNPJR-WBVHZDCISA-N -1 0 361.482 4.237 50 0 FIAARM O=C([O-])C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000001433162 210352731 /nfs/dbraw/zinc/35/27/31/210352731.db2.gz JFQZUENRKJILBT-OAHLLOKOSA-N -1 0 365.429 4.122 50 0 FIAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc(C)cc2C)cc(OC)c1OC ZINC000001242026 210338473 /nfs/dbraw/zinc/33/84/73/210338473.db2.gz YMMUHWVZMKJZTG-UHFFFAOYSA-N -1 0 371.462 4.240 50 0 FIAARM CCc1sc([N-]S(=O)(=O)Cc2ccccc2)nc1-c1ccccc1 ZINC000001133921 210322534 /nfs/dbraw/zinc/32/25/34/210322534.db2.gz NZEMXBJIGSHZFP-UHFFFAOYSA-N -1 0 358.488 4.314 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000001071766 210313091 /nfs/dbraw/zinc/31/30/91/210313091.db2.gz SKSZDUKXPURYRH-UHFFFAOYSA-N -1 0 351.196 4.125 50 0 FIAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cn2)cc1 ZINC000001034050 210304780 /nfs/dbraw/zinc/30/47/80/210304780.db2.gz RGQLCMDSTXSTHF-UHFFFAOYSA-N -1 0 356.422 4.365 50 0 FIAARM CC1(C)CCCC2=C1C[C@H](C(=O)[O-])[C@H](C(=O)N1CCc3ccccc31)C2 ZINC000000902595 210288020 /nfs/dbraw/zinc/28/80/20/210288020.db2.gz USTKQPQMUYZSCJ-SJORKVTESA-N -1 0 353.462 4.193 50 0 FIAARM O=C([O-])c1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 ZINC000058425864 221119477 /nfs/dbraw/zinc/11/94/77/221119477.db2.gz JJNCFVXBORAOCG-UHFFFAOYSA-N -1 0 364.426 4.302 50 0 FIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064979457 221160731 /nfs/dbraw/zinc/16/07/31/221160731.db2.gz AARMODZMFJGOSV-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)o2)c1C ZINC000064958561 221158332 /nfs/dbraw/zinc/15/83/32/221158332.db2.gz QSUHXJGOCXMEJC-UHFFFAOYSA-N -1 0 360.435 4.278 50 0 FIAARM O=S(=O)([N-]c1ccccc1-c1cccs1)c1c[nH]c2ncccc12 ZINC000065562601 221233576 /nfs/dbraw/zinc/23/35/76/221233576.db2.gz LAMYTVVAYGOHPJ-UHFFFAOYSA-N -1 0 355.444 4.092 50 0 FIAARM COC(=O)c1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)o1 ZINC000065487650 221224503 /nfs/dbraw/zinc/22/45/03/221224503.db2.gz CBTFPYRHVBAMIA-KHPPLWFESA-N -1 0 357.387 4.081 50 0 FIAARM O=C(Nc1cccc(C2SCCS2)c1)c1c([O-])cc(F)cc1F ZINC000066042199 221238210 /nfs/dbraw/zinc/23/82/10/221238210.db2.gz ABAPWPWGNYHHEW-UHFFFAOYSA-N -1 0 353.415 4.401 50 0 FIAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccccc1Cl ZINC000067446577 221254152 /nfs/dbraw/zinc/25/41/52/221254152.db2.gz BQPVDKSIOXDFQC-GFCCVEGCSA-N -1 0 373.865 4.385 50 0 FIAARM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000064589131 136133501 /nfs/dbraw/zinc/13/35/01/136133501.db2.gz UTRFRGIAGKQOSX-UHFFFAOYSA-N -1 0 358.825 4.281 50 0 FIAARM Cc1ccc(CC(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589208 136133516 /nfs/dbraw/zinc/13/35/16/136133516.db2.gz RMAZAKFESZHCSS-INIZCTEOSA-N -1 0 366.461 4.111 50 0 FIAARM CC(C)c1nc(/C=C/c2cnn(-c3ccc(Cl)cc3)c2)ncc1C(=O)[O-] ZINC000078869152 221681344 /nfs/dbraw/zinc/68/13/44/221681344.db2.gz XBNGBDNVQWDFSJ-FPYGCLRLSA-N -1 0 368.824 4.308 50 0 FIAARM CCCCc1c(C)nc2[n-]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000100133786 222235470 /nfs/dbraw/zinc/23/54/70/222235470.db2.gz YAZVHKWATUWJJM-UHFFFAOYSA-N -1 0 362.886 4.014 50 0 FIAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100504408 222244917 /nfs/dbraw/zinc/24/49/17/222244917.db2.gz AYUQCNNYHDNMDF-UHFFFAOYSA-N -1 0 368.408 4.289 50 0 FIAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2)c1=O ZINC000100470572 222245428 /nfs/dbraw/zinc/24/54/28/222245428.db2.gz ASZHOYVTFLLXKR-UHFFFAOYSA-N -1 0 350.418 4.006 50 0 FIAARM CCN(CCCn1c(=O)c2ccccc2[n-]c1=S)c1cccc(C)c1 ZINC000001165721 263143430 /nfs/dbraw/zinc/14/34/30/263143430.db2.gz IFGNVHZOVKNEIC-UHFFFAOYSA-N -1 0 353.491 4.284 50 0 FIAARM C[C@H](Oc1ccc(C(=O)/C=C\c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000096765666 525929525 /nfs/dbraw/zinc/92/95/25/525929525.db2.gz SQPFRYCKQNXFEA-KGTBHZDVSA-N -1 0 362.328 4.036 50 0 FIAARM C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]12C ZINC000101125837 570510382 /nfs/dbraw/zinc/51/03/82/570510382.db2.gz XDDNRKFJOAQYQX-DKRVVRKOSA-N -1 0 362.510 4.457 50 0 FIAARM C[C@H](Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(=O)[O-] ZINC000002882094 570542487 /nfs/dbraw/zinc/54/24/87/570542487.db2.gz HEAYNQCRWKRREM-LBPRGKRZSA-N -1 0 365.414 4.246 50 0 FIAARM CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2cn(C)c3ccccc23)cc1 ZINC000003107863 570551651 /nfs/dbraw/zinc/55/16/51/570551651.db2.gz MQKJFUNACPJMRQ-KRWDZBQOSA-N -1 0 351.402 4.018 50 0 FIAARM Cc1cccc(-n2c(SCCC(=O)[O-])nnc2-c2cccs2)c1C ZINC000004058717 570574393 /nfs/dbraw/zinc/57/43/93/570574393.db2.gz CNGSFDONRCPXRF-UHFFFAOYSA-N -1 0 359.476 4.179 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2OC)C1 ZINC000006496953 570647890 /nfs/dbraw/zinc/64/78/90/570647890.db2.gz JJEVRMKTRKEQHK-FOWTUZBSSA-N -1 0 374.440 4.318 50 0 FIAARM Cn1c2ccccc2nc1-c1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000005323030 570648866 /nfs/dbraw/zinc/64/88/66/570648866.db2.gz NCLNWQQDAWCQFN-UHFFFAOYSA-N -1 0 360.291 4.071 50 0 FIAARM CC(C)(C)c1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000005460719 570660404 /nfs/dbraw/zinc/66/04/04/570660404.db2.gz FHQRKQLILHPUSS-UHFFFAOYSA-N -1 0 352.386 4.058 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601767 570680220 /nfs/dbraw/zinc/68/02/20/570680220.db2.gz RLPCUHYMYYSPSE-HOTGVXAUSA-N -1 0 370.474 4.341 50 0 FIAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000008925696 570690056 /nfs/dbraw/zinc/69/00/56/570690056.db2.gz UDEXIDXMVVSNGF-KRWDZBQOSA-N -1 0 356.447 4.060 50 0 FIAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccc(C)cc2)c3=O)cc1 ZINC000009935384 570697639 /nfs/dbraw/zinc/69/76/39/570697639.db2.gz XOVYSUPZSXVLGJ-UHFFFAOYSA-N -1 0 373.456 4.214 50 0 FIAARM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000012312221 570735874 /nfs/dbraw/zinc/73/58/74/570735874.db2.gz GZPWQYNLYYAAGZ-YCPHGPKFSA-N -1 0 350.480 4.481 50 0 FIAARM Cc1nn(Cc2ccc(C)cc2)c2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 ZINC000012396221 570741826 /nfs/dbraw/zinc/74/18/26/570741826.db2.gz DBFJNUXYQPBHCG-UHFFFAOYSA-N -1 0 355.825 4.325 50 0 FIAARM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047185710 570881742 /nfs/dbraw/zinc/88/17/42/570881742.db2.gz HSBDTUGHDBBZQC-SNVBAGLBSA-N -1 0 373.865 4.012 50 0 FIAARM CCc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000225495774 571039938 /nfs/dbraw/zinc/03/99/38/571039938.db2.gz ZWCDILGCAMKTNC-HXUWFJFHSA-N -1 0 364.445 4.182 50 0 FIAARM O=S(=O)([N-]c1cccc(O)c1)c1ccc(Cl)c(Cl)c1Cl ZINC000225539773 571044066 /nfs/dbraw/zinc/04/40/66/571044066.db2.gz SXBTVELVTWLXRE-UHFFFAOYSA-N -1 0 352.626 4.153 50 0 FIAARM COC(=O)c1c(SCc2ccc(Cl)cc2)[n-]c2ccccc2c1=O ZINC000009300297 571103492 /nfs/dbraw/zinc/10/34/92/571103492.db2.gz RCXQRLUIQVAONC-UHFFFAOYSA-N -1 0 359.834 4.260 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)n[nH]1 ZINC000009686498 571116678 /nfs/dbraw/zinc/11/66/78/571116678.db2.gz XEHYHZWZKVSLPI-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 ZINC000009686672 571117113 /nfs/dbraw/zinc/11/71/13/571117113.db2.gz JKFXSXYNTRUIMR-UHFFFAOYSA-N -1 0 361.492 4.118 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)s2)c1C ZINC000009686665 571117116 /nfs/dbraw/zinc/11/71/16/571117116.db2.gz CZQSEYNFAIVCEW-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000035142338 571119720 /nfs/dbraw/zinc/11/97/20/571119720.db2.gz WPOZRAXLPOUEII-KDOFPFPSSA-N -1 0 359.853 4.475 50 0 FIAARM C[C@@H]([C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000722982831 571122931 /nfs/dbraw/zinc/12/29/31/571122931.db2.gz OYBQZMFDYOVZDB-XCLFUZPHSA-N -1 0 365.429 4.024 50 0 FIAARM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2o1 ZINC000012544769 571178128 /nfs/dbraw/zinc/17/81/28/571178128.db2.gz CVJUHIDKSAMGCS-UHFFFAOYSA-N -1 0 357.218 4.244 50 0 FIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006383604 571183195 /nfs/dbraw/zinc/18/31/95/571183195.db2.gz NHUQUWOGSMKMPP-UHFFFAOYSA-N -1 0 362.216 4.445 50 0 FIAARM Cc1cccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c1C ZINC000035622643 571183727 /nfs/dbraw/zinc/18/37/27/571183727.db2.gz RSMVUPAUJCORKK-UHFFFAOYSA-N -1 0 358.401 4.455 50 0 FIAARM S=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc2c(c1)OCO2 ZINC000006445432 571193406 /nfs/dbraw/zinc/19/34/06/571193406.db2.gz LFGPMNIUWFGVGU-UHFFFAOYSA-N -1 0 355.463 4.126 50 0 FIAARM Cc1nc(-c2ccccc2)nc(SCC(=O)[O-])c1Cc1ccccc1 ZINC000004748527 571213413 /nfs/dbraw/zinc/21/34/13/571213413.db2.gz ISNCJFVHCMHZCE-UHFFFAOYSA-N -1 0 350.443 4.220 50 0 FIAARM O=c1c2c3c(sc2n2c(=S)[n-]nc2n1C1CCCCC1)CCCC3 ZINC000006664453 571239909 /nfs/dbraw/zinc/23/99/09/571239909.db2.gz QTJOWYKXAAXALX-UHFFFAOYSA-N -1 0 360.508 4.152 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007052651 571259391 /nfs/dbraw/zinc/25/93/91/571259391.db2.gz UZMBWDQIZXEVFO-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)s1 ZINC000007055682 571259532 /nfs/dbraw/zinc/25/95/32/571259532.db2.gz WRBICHGEDCWUQC-UHFFFAOYSA-N -1 0 371.867 4.244 50 0 FIAARM O=C([O-])[C@@H]1CCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000084304165 571274258 /nfs/dbraw/zinc/27/42/58/571274258.db2.gz HWELJLHUQZAYOL-HUUCEWRRSA-N -1 0 365.429 4.026 50 0 FIAARM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)cs1 ZINC000007726357 571287104 /nfs/dbraw/zinc/28/71/04/571287104.db2.gz FPNBCUBVOUCQIQ-UHFFFAOYSA-N -1 0 366.414 4.198 50 0 FIAARM O=C([O-])c1cccc(Cc2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1 ZINC000054751838 571289766 /nfs/dbraw/zinc/28/97/66/571289766.db2.gz NGURTHVTQYZKTD-UHFFFAOYSA-N -1 0 368.439 4.002 50 0 FIAARM O=C([O-])CC[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000095424571 571329554 /nfs/dbraw/zinc/32/95/54/571329554.db2.gz HLOZYFSMVWRTKI-HNNXBMFYSA-N -1 0 357.793 4.422 50 0 FIAARM Cc1ccc(NC(=O)CCCn2c(=O)c3sccc3[n-]c2=S)cc1C ZINC000002925490 571341812 /nfs/dbraw/zinc/34/18/12/571341812.db2.gz QPRZEGCURNTNPM-UHFFFAOYSA-N -1 0 373.503 4.156 50 0 FIAARM COc1cccc2sc([N-]c3nnc(-c4ccccc4OC)o3)nc21 ZINC000004137647 571355935 /nfs/dbraw/zinc/35/59/35/571355935.db2.gz BKUZENLLVMYPPT-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM CCN(C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-])c1ccc(C)c(C)c1 ZINC000004192570 571356689 /nfs/dbraw/zinc/35/66/89/571356689.db2.gz KRFMAMAKYYGSGU-UHFFFAOYSA-N -1 0 364.445 4.089 50 0 FIAARM CC(C)(C)OC(=O)Nc1c(Br)cc(Cl)cc1C(=O)[O-] ZINC000725375923 1083535154 /nfs/dbraw/zinc/53/51/54/1083535154.db2.gz RMRFZMXWGUMNMK-UHFFFAOYSA-N -1 0 350.596 4.148 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004539360 1085480748 /nfs/dbraw/zinc/48/07/48/1085480748.db2.gz QIOMKCYUFLIORJ-UHFFFAOYSA-N -1 0 358.806 4.414 50 0 FIAARM O=S(=O)([N-]c1cccc(/C=C\c2ccccn2)c1)c1ccccc1F ZINC000033530946 1122623785 /nfs/dbraw/zinc/62/37/85/1122623785.db2.gz NTIYAFHLHNPUHW-QXMHVHEDSA-N -1 0 354.406 4.192 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c(Cl)c1Cl ZINC000000640058 210254666 /nfs/dbraw/zinc/25/46/66/210254666.db2.gz NLGUMLJIBGLRIC-UHFFFAOYSA-N -1 0 374.245 4.005 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000639888 210254511 /nfs/dbraw/zinc/25/45/11/210254511.db2.gz OEPRFYCZGYFZPX-UHFFFAOYSA-N -1 0 360.298 4.182 50 0 FIAARM O=C([O-])C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000628944 210253594 /nfs/dbraw/zinc/25/35/94/210253594.db2.gz YVHXTQQJFAOBCJ-HNNXBMFYSA-N -1 0 365.429 4.265 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])n2)s1 ZINC000000205107 210248043 /nfs/dbraw/zinc/24/80/43/210248043.db2.gz QUFLODYTHHJZSB-WDEREUQCSA-N -1 0 350.465 4.010 50 0 FIAARM COc1ccc(-c2csc(-c3cc4ccc([O-])cc4oc3=O)n2)cc1 ZINC000002345253 210226420 /nfs/dbraw/zinc/22/64/20/210226420.db2.gz JKMMPUXYPPUPRJ-UHFFFAOYSA-N -1 0 351.383 4.298 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)c1 ZINC000001165615 210076483 /nfs/dbraw/zinc/07/64/83/210076483.db2.gz JYZBGFPWLISUHC-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000070915639 210064247 /nfs/dbraw/zinc/06/42/47/210064247.db2.gz NANBTYVNWVGYFU-JOCHJYFZSA-N -1 0 365.429 4.122 50 0 FIAARM O=C(c1ccccc1)[C@H](Cc1ccccc1)[P@](=O)([O-])c1ccccc1 ZINC000001235536 219392317 /nfs/dbraw/zinc/39/23/17/219392317.db2.gz UZOWACUTRGANNK-FQEVSTJZSA-N -1 0 350.354 4.077 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@@]12C ZINC000257350390 223074722 /nfs/dbraw/zinc/07/47/22/223074722.db2.gz XDDNRKFJOAQYQX-YHINNFPGSA-N -1 0 362.510 4.457 50 0 FIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)cc2)on1 ZINC000064845400 212046137 /nfs/dbraw/zinc/04/61/37/212046137.db2.gz NADKIWZNMUKNDZ-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)[O-] ZINC000013349090 220064425 /nfs/dbraw/zinc/06/44/25/220064425.db2.gz OXGSTAVAQAUACO-UHFFFAOYSA-N -1 0 367.426 4.161 50 0 FIAARM O=C([O-])C1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCCC1 ZINC000046834796 211842832 /nfs/dbraw/zinc/84/28/32/211842832.db2.gz PADFTMWMNQJOHU-UHFFFAOYSA-N -1 0 356.422 4.459 50 0 FIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1 ZINC000025762831 211436651 /nfs/dbraw/zinc/43/66/51/211436651.db2.gz ZRILIAQAUPKMFA-UHFFFAOYSA-N -1 0 361.170 4.139 50 0 FIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12 ZINC000020349786 211277630 /nfs/dbraw/zinc/27/76/30/211277630.db2.gz WTNCKROVZRHFCK-UHFFFAOYSA-N -1 0 351.740 4.082 50 0 FIAARM Cc1sc(NC(=O)C[C@H](C)CC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000017073120 211176866 /nfs/dbraw/zinc/17/68/66/211176866.db2.gz NJIPBJZPBDLRKQ-VIFPVBQESA-N -1 0 352.843 4.211 50 0 FIAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000016651597 211164743 /nfs/dbraw/zinc/16/47/43/211164743.db2.gz QAPADXWAIOWKFP-UHFFFAOYSA-N -1 0 361.463 4.096 50 0 FIAARM CCCCCCn1c(=O)cc([O-])nc1SCc1ccc(Cl)cc1 ZINC000013957058 211065153 /nfs/dbraw/zinc/06/51/53/211065153.db2.gz LPRLHIMIDTZZDO-UHFFFAOYSA-N -1 0 352.887 4.475 50 0 FIAARM O=c1cc([O-])c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2[nH]1 ZINC000013401867 211031715 /nfs/dbraw/zinc/03/17/15/211031715.db2.gz XIUAHMMQTXUUOJ-UHFFFAOYSA-N -1 0 352.459 4.311 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C2SCCCS2)c1 ZINC000013468309 211033916 /nfs/dbraw/zinc/03/39/16/211033916.db2.gz OWHVAFQFQVPHEV-GJZGRUSLSA-N -1 0 363.504 4.161 50 0 FIAARM COc1ccc(-n2nc(C)c3c2nc(-c2ccccc2)cc3C(=O)[O-])cc1 ZINC000012395962 210951778 /nfs/dbraw/zinc/95/17/78/210951778.db2.gz IUCQGJWOHFYULR-UHFFFAOYSA-N -1 0 359.385 4.103 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1 ZINC000004623671 210546116 /nfs/dbraw/zinc/54/61/16/210546116.db2.gz YWWULYYWWBKCME-LJQANCHMSA-N -1 0 368.433 4.346 50 0 FIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC000003623820 210490008 /nfs/dbraw/zinc/49/00/08/210490008.db2.gz AYDTVZATYCOWPA-HXUWFJFHSA-N -1 0 369.461 4.129 50 0 FIAARM CC(C)[C@H]1Cc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002314094 210389526 /nfs/dbraw/zinc/38/95/26/210389526.db2.gz DTDGVQCCNJPUAD-CQSZACIVSA-N -1 0 372.515 4.266 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000002071953 210378668 /nfs/dbraw/zinc/37/86/68/210378668.db2.gz YWEWTWWNOLJQLD-UHFFFAOYSA-N -1 0 364.445 4.376 50 0 FIAARM Cc1cccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)c1 ZINC000002148113 210381272 /nfs/dbraw/zinc/38/12/72/210381272.db2.gz URRJQTBXKJVPNP-UHFFFAOYSA-N -1 0 352.386 4.006 50 0 biogenic FIAARM CCCCc1ccc(Nc2c(C(=O)[O-])cnc3ccc(OC)cc32)cc1 ZINC000019793867 220296113 /nfs/dbraw/zinc/29/61/13/220296113.db2.gz HFXBACGAWAPBBV-UHFFFAOYSA-N -1 0 350.418 4.450 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000001148510 210326563 /nfs/dbraw/zinc/32/65/63/210326563.db2.gz SLZARBVVIXLQIQ-UHFFFAOYSA-N -1 0 353.871 4.348 50 0 FIAARM CCOc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000001013735 210301571 /nfs/dbraw/zinc/30/15/71/210301571.db2.gz JKDKRCMGADXLPC-AWEZNQCLSA-N -1 0 361.825 4.011 50 0 FIAARM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000000990700 210299397 /nfs/dbraw/zinc/29/93/97/210299397.db2.gz GUGDCKFGAAQQSE-OALUTQOASA-N -1 0 351.402 4.393 50 0 FIAARM O=S(=O)([N-]c1cccnc1Oc1ccc(Cl)cc1)c1ccccc1 ZINC000001043445 210306358 /nfs/dbraw/zinc/30/63/58/210306358.db2.gz BWHWPQPFCKCECH-UHFFFAOYSA-N -1 0 360.822 4.328 50 0 FIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cccnc1 ZINC000064797838 221152420 /nfs/dbraw/zinc/15/24/20/221152420.db2.gz YIAMXCLMTITZCQ-CYBMUJFWSA-N -1 0 368.389 4.122 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000064947291 221157166 /nfs/dbraw/zinc/15/71/66/221157166.db2.gz NRIAJGWQASCBKJ-UHFFFAOYSA-N -1 0 373.453 4.046 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064947277 221157770 /nfs/dbraw/zinc/15/77/70/221157770.db2.gz OMZZMCUQGVLRMK-UHFFFAOYSA-N -1 0 373.453 4.046 50 0 FIAARM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)Nc2ccc3n[nH]cc3c2)s1 ZINC000066263052 221244339 /nfs/dbraw/zinc/24/43/39/221244339.db2.gz BSRFCMMJUFQEOX-UHFFFAOYSA-N -1 0 358.423 4.264 50 0 FIAARM C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccccc1Cl ZINC000067446576 221254517 /nfs/dbraw/zinc/25/45/17/221254517.db2.gz BQPVDKSIOXDFQC-LBPRGKRZSA-N -1 0 373.865 4.385 50 0 FIAARM CC(C)(C)c1ncc2c(n1)CN(c1nc(-c3ccccc3)ccc1C(=O)[O-])C2 ZINC000067724559 221275909 /nfs/dbraw/zinc/27/59/09/221275909.db2.gz VZQTWXUGVCUZNO-UHFFFAOYSA-N -1 0 374.444 4.055 50 0 FIAARM O=C([O-])c1ccnc(-c2ccnc(Cc3c(Cl)cccc3Cl)n2)c1 ZINC000071730521 221357157 /nfs/dbraw/zinc/35/71/57/221357157.db2.gz CVBXLWPZEYLNKW-UHFFFAOYSA-N -1 0 360.200 4.134 50 0 FIAARM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1c(Cl)cccc1Cl ZINC000012794331 132306783 /nfs/dbraw/zinc/30/67/83/132306783.db2.gz QWSIWWPSIZPINZ-UHFFFAOYSA-N -1 0 364.228 4.214 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(N3CCC[C@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000046053431 136122021 /nfs/dbraw/zinc/12/20/21/136122021.db2.gz GAKDIJMSVHKYCB-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1[nH]nc2c1[C@@H](c1ccc(-c3cccc(C(=O)[O-])c3)o1)SCC(=O)N2 ZINC000079485886 221693072 /nfs/dbraw/zinc/69/30/72/221693072.db2.gz HPWJDTSYFIKZFI-MRXNPFEDSA-N -1 0 369.402 4.101 50 0 FIAARM O=C([O-])c1ccc(OCCSCc2ccc(Br)cc2)cc1 ZINC000096191253 222071342 /nfs/dbraw/zinc/07/13/42/222071342.db2.gz YQVTVUYXLQVSMG-UHFFFAOYSA-N -1 0 367.264 4.460 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)on1 ZINC000096323451 222115316 /nfs/dbraw/zinc/11/53/16/222115316.db2.gz UEOJTQNSYBJECE-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(F)cc2)C1 ZINC000096399894 222120093 /nfs/dbraw/zinc/12/00/93/222120093.db2.gz RZCOOQYJAFRQDB-PTNGSMBKSA-N -1 0 362.404 4.448 50 0 FIAARM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000096936630 222143480 /nfs/dbraw/zinc/14/34/80/222143480.db2.gz NCXNKVJMWYAFDF-WTKPLQERSA-N -1 0 350.349 4.032 50 0 FIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1-c1cc(=O)c2ccccc2[nH]1 ZINC000100429083 222243830 /nfs/dbraw/zinc/24/38/30/222243830.db2.gz PWPJINKMUYXDGF-UHFFFAOYSA-N -1 0 374.425 4.005 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C)c1=O ZINC000100498429 222245532 /nfs/dbraw/zinc/24/55/32/222245532.db2.gz WCDIVWRUBAJMFT-UHFFFAOYSA-N -1 0 350.418 4.068 50 0 FIAARM CCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100702901 222250438 /nfs/dbraw/zinc/25/04/38/222250438.db2.gz WRVWDCHYKRVCAV-UHFFFAOYSA-N -1 0 368.408 4.289 50 0 FIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000164531382 222557563 /nfs/dbraw/zinc/55/75/63/222557563.db2.gz LMAHJVGPSLPYBB-ZBFHGGJFSA-N -1 0 372.490 4.261 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccccc1C(F)(F)F ZINC000003326443 518202800 /nfs/dbraw/zinc/20/28/00/518202800.db2.gz QMRXSGHVOHYRPK-UHFFFAOYSA-N -1 0 367.295 4.108 50 0 FIAARM CC(=O)c1ccc2c3c1cccc3C(=O)N(c1cc(Cl)ccc1[O-])C2=O ZINC000000792445 534884039 /nfs/dbraw/zinc/88/40/39/534884039.db2.gz SBOFSIZSZIAHKB-UHFFFAOYSA-N -1 0 365.772 4.202 50 0 FIAARM O=C([O-])CC/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000033392624 568503026 /nfs/dbraw/zinc/50/30/26/568503026.db2.gz FLBCWVAYBYHMRH-KAMYIIQDSA-N -1 0 367.426 4.473 50 0 FIAARM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560249 570524977 /nfs/dbraw/zinc/52/49/77/570524977.db2.gz IQIOLCJHRZWOLS-VLIAUNLRSA-N -1 0 367.445 4.367 50 0 FIAARM CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004521494 570594984 /nfs/dbraw/zinc/59/49/84/570594984.db2.gz VZOHGJIGTNUNNC-GOSISDBHSA-N -1 0 353.418 4.024 50 0 FIAARM CC(=O)N(c1nc(C=C2SC(=S)NC2=O)cs1)c1ccccc1 ZINC000096662802 570643914 /nfs/dbraw/zinc/64/39/14/570643914.db2.gz RDHIWMJTSONFQG-KPKJPENVSA-N -1 0 361.473 4.157 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000007402399 570663655 /nfs/dbraw/zinc/66/36/55/570663655.db2.gz SUOWGKKNRPHMRS-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM COc1ccc(-n2nc(C3CC3)c3c2nc(C(C)C)cc3C(=O)[O-])cc1 ZINC000012398011 570741958 /nfs/dbraw/zinc/74/19/58/570741958.db2.gz DCNAANPSCQIJGV-UHFFFAOYSA-N -1 0 351.406 4.128 50 0 FIAARM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000005065435 570775510 /nfs/dbraw/zinc/77/55/10/570775510.db2.gz WVHNPGDBLKUIET-UHFFFAOYSA-N -1 0 354.189 4.018 50 0 FIAARM CSc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000047103275 570879500 /nfs/dbraw/zinc/87/95/00/570879500.db2.gz SFURRXNWQMNEDG-JTQLQIEISA-N -1 0 371.487 4.211 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])c1 ZINC000045967552 570917915 /nfs/dbraw/zinc/91/79/15/570917915.db2.gz ZQOPSRQFYCVPCT-UHFFFAOYSA-N -1 0 352.434 4.326 50 0 FIAARM CCCCN(CC)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053485 570922085 /nfs/dbraw/zinc/92/20/85/570922085.db2.gz LSWMOPXTULUCCS-UHFFFAOYSA-N -1 0 370.449 4.272 50 0 FIAARM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046056800 570922885 /nfs/dbraw/zinc/92/28/85/570922885.db2.gz OSMOJAUOLPBKIV-HNNXBMFYSA-N -1 0 365.458 4.168 50 0 FIAARM CCCc1nnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000028248755 571028281 /nfs/dbraw/zinc/02/82/81/571028281.db2.gz NPNJUOUKVYZDPR-UHFFFAOYSA-N -1 0 365.524 4.339 50 0 FIAARM CC(C)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000037385878 571082394 /nfs/dbraw/zinc/08/23/94/571082394.db2.gz FCINDBJRUBHEEV-UHFFFAOYSA-N -1 0 354.269 4.373 50 0 FIAARM O=C([O-])c1ccsc1NC(=O)c1ccc(Br)cc1Cl ZINC000037366730 571082463 /nfs/dbraw/zinc/08/24/63/571082463.db2.gz KXRCNOXFEQGGAD-UHFFFAOYSA-N -1 0 360.616 4.115 50 0 FIAARM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC3)C(F)(F)F)cc1 ZINC000040155823 571087319 /nfs/dbraw/zinc/08/73/19/571087319.db2.gz JFNBLEDINWBHGP-KRWDZBQOSA-N -1 0 369.408 4.066 50 0 FIAARM COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3ccccc3)c21 ZINC000040313128 571094309 /nfs/dbraw/zinc/09/43/09/571094309.db2.gz SKLPYNHYIQLYBX-OAHLLOKOSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM C[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(-c2ccccc2)c(F)c1 ZINC000244723878 571115358 /nfs/dbraw/zinc/11/53/58/571115358.db2.gz MJEFVZDGWJGCHQ-CQSZACIVSA-N -1 0 355.409 4.110 50 0 FIAARM CCCc1c(OCCSc2cccc(C(=O)[O-])c2)ccc(C(C)=O)c1O ZINC000045068665 571133262 /nfs/dbraw/zinc/13/32/62/571133262.db2.gz KGOCOGNFNXUTTP-UHFFFAOYSA-N -1 0 374.458 4.417 50 0 FIAARM O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000077407671 571210543 /nfs/dbraw/zinc/21/05/43/571210543.db2.gz JTRZMINGHCDQEM-KRWDZBQOSA-N -1 0 371.864 4.100 50 0 FIAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1 ZINC000007387462 571264906 /nfs/dbraw/zinc/26/49/06/571264906.db2.gz BWFXQEYSNCNLJE-UHFFFAOYSA-N -1 0 369.870 4.111 50 0 FIAARM COc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1OC1CCCC1 ZINC000066044614 571289771 /nfs/dbraw/zinc/28/97/71/571289771.db2.gz JQBNVEVBSHIPOC-UHFFFAOYSA-N -1 0 363.360 4.253 50 0 FIAARM CCCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(OC)cc3)c2n1 ZINC000001029460 571307908 /nfs/dbraw/zinc/30/79/08/571307908.db2.gz AHFIRBMMQKNECD-UHFFFAOYSA-N -1 0 351.328 4.082 50 0 FIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccsc2)cc1 ZINC000095477502 571330917 /nfs/dbraw/zinc/33/09/17/571330917.db2.gz JITZXCQQEWGCCU-OAHLLOKOSA-N -1 0 371.443 4.056 50 0 FIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(C)c1 ZINC000095953086 571332811 /nfs/dbraw/zinc/33/28/11/571332811.db2.gz ICXRZBKZMLANLR-UHFFFAOYSA-N -1 0 359.369 4.137 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F ZINC000003329691 571347575 /nfs/dbraw/zinc/34/75/75/571347575.db2.gz PYEWCZVHBSQZEN-UHFFFAOYSA-N -1 0 367.295 4.108 50 0 FIAARM CCCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1OCCC ZINC000003368300 571348462 /nfs/dbraw/zinc/34/84/62/571348462.db2.gz BAAKYYYTWKQCLJ-UHFFFAOYSA-N -1 0 355.481 4.127 50 0 FIAARM Clc1ccccc1-c1nnc([N-]c2nc3cc4c(cc3s2)OCO4)o1 ZINC000004137831 571355979 /nfs/dbraw/zinc/35/59/79/571355979.db2.gz XAJFZDJSSPAAJW-UHFFFAOYSA-N -1 0 372.793 4.472 50 0 FIAARM O=C([O-])c1cc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000254841397 1086373582 /nfs/dbraw/zinc/37/35/82/1086373582.db2.gz VGMQYBCPUZPVCZ-UHFFFAOYSA-N -1 0 354.149 4.046 50 0 FIAARM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000095468055 1086661516 /nfs/dbraw/zinc/66/15/16/1086661516.db2.gz RXYDMMMPODCHFU-RUDMXATFSA-N -1 0 361.191 4.052 50 0 FIAARM Cc1sc(NC(=O)c2cccc(Br)c2)c(C(=O)[O-])c1C ZINC000000726822 210265655 /nfs/dbraw/zinc/26/56/55/210265655.db2.gz CFSZZPWVSFJPDG-UHFFFAOYSA-N -1 0 354.225 4.078 50 0 FIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(/C=C/c3ccccc3)cc1)C2=O ZINC000000727124 210266336 /nfs/dbraw/zinc/26/63/36/210266336.db2.gz PCDUFLVMNKKWPZ-VOTSOKGWSA-N -1 0 369.376 4.356 50 0 FIAARM COC(=O)c1occc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000096930352 210239985 /nfs/dbraw/zinc/23/99/85/210239985.db2.gz IKIQVKRIDDDYSN-BENRWUELSA-N -1 0 357.387 4.081 50 0 FIAARM O=C([O-])CCCn1c(/C=C\c2ccc(Cl)s2)nc2ccccc2c1=O ZINC000096401538 210239530 /nfs/dbraw/zinc/23/95/30/210239530.db2.gz OVHPSNQAOYGCTQ-NTMALXAHSA-N -1 0 374.849 4.147 50 0 FIAARM CCCc1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005904204 210230308 /nfs/dbraw/zinc/23/03/08/210230308.db2.gz ZAAKASAEKAXHNE-UHFFFAOYSA-N -1 0 366.413 4.452 50 0 biogenic FIAARM Cc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nc(C)c1C(=O)[O-] ZINC000220681900 222720683 /nfs/dbraw/zinc/72/06/83/222720683.db2.gz MHGATVPXXSXECZ-UHFFFAOYSA-N -1 0 354.450 4.323 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001006311 219352670 /nfs/dbraw/zinc/35/26/70/219352670.db2.gz NZMNDTGOODAUNI-UYAOXDASSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)s1 ZINC000063810825 212034170 /nfs/dbraw/zinc/03/41/70/212034170.db2.gz GVQDOKTXWDHJCW-SNVBAGLBSA-N -1 0 359.476 4.201 50 0 FIAARM CCCOc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c(C)c1 ZINC000063811107 212034016 /nfs/dbraw/zinc/03/40/16/212034016.db2.gz FNXWIVRNQPVPPM-UHFFFAOYSA-N -1 0 369.446 4.348 50 0 FIAARM CSc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1 ZINC000020735666 211295168 /nfs/dbraw/zinc/29/51/68/211295168.db2.gz DNNTUEHKIDRHNZ-UHFFFAOYSA-N -1 0 353.378 4.106 50 0 FIAARM Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013682445 211048807 /nfs/dbraw/zinc/04/88/07/211048807.db2.gz OYBDDVALYQLXLC-MRXNPFEDSA-N -1 0 361.401 4.311 50 0 FIAARM COc1ccc(Cc2[n-]n3c(nc(C(C)C)cc3=O)c2-c2ccccc2)cc1 ZINC000013520526 211037589 /nfs/dbraw/zinc/03/75/89/211037589.db2.gz JWQAHVJMALNFKM-UHFFFAOYSA-N -1 0 373.456 4.412 50 0 FIAARM CC(C)(C)c1ccc(OCCCC(=O)NCCCCCCC(=O)[O-])cc1 ZINC000012875176 211002480 /nfs/dbraw/zinc/00/24/80/211002480.db2.gz VORFYVXOLUKNOR-UHFFFAOYSA-N -1 0 363.498 4.294 50 0 FIAARM [O-]C(c1cn2cc(-c3ccccc3)nc2s1)(C(F)(F)F)C(F)(F)F ZINC000012558510 210968767 /nfs/dbraw/zinc/96/87/67/210968767.db2.gz UZQFDGDFJGTFCF-UHFFFAOYSA-N -1 0 366.286 4.375 50 0 FIAARM C[C@@H](OC(=O)c1cc(Cl)c([O-])c(Cl)c1)C(=O)N(C)C1CCCCC1 ZINC000007737864 210752870 /nfs/dbraw/zinc/75/28/70/210752870.db2.gz FNXQTMWVSVASME-SNVBAGLBSA-N -1 0 374.264 4.035 50 0 FIAARM CC(=O)Nc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007748737 210752912 /nfs/dbraw/zinc/75/29/12/210752912.db2.gz BYNLGTWSDIPZDW-NTCAYCPXSA-N -1 0 358.397 4.378 50 0 FIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CSc2ccccc2)cc1 ZINC000004653242 210546598 /nfs/dbraw/zinc/54/65/98/210546598.db2.gz GEVCRFXHANAAPU-SFHVURJKSA-N -1 0 371.502 4.408 50 0 FIAARM CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000004526238 210538566 /nfs/dbraw/zinc/53/85/66/210538566.db2.gz CMISTICVTDKDLI-ATVHPVEESA-N -1 0 357.837 4.493 50 0 FIAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000004241434 210518160 /nfs/dbraw/zinc/51/81/60/210518160.db2.gz OSYGWQSBSONFKO-YGRLFVJLSA-N -1 0 374.264 4.246 50 0 FIAARM Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4C(=O)[O-])c3)nc2c1 ZINC000002283984 210388183 /nfs/dbraw/zinc/38/81/83/210388183.db2.gz XOLMARQBMRCEKE-UHFFFAOYSA-N -1 0 371.396 4.260 50 0 FIAARM O=C([O-])[C@H]1CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002386624 210395679 /nfs/dbraw/zinc/39/56/79/210395679.db2.gz JSVAQZVOHKGTJY-LSDHHAIUSA-N -1 0 365.429 4.169 50 0 FIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000002389792 210395490 /nfs/dbraw/zinc/39/54/90/210395490.db2.gz YLGVWWIOFMUJSK-KRWDZBQOSA-N -1 0 355.434 4.187 50 0 FIAARM COc1ccc(Cl)cc1-c1nnc(Nc2ccc(C(=O)[O-])cc2)s1 ZINC000002207126 210382783 /nfs/dbraw/zinc/38/27/83/210382783.db2.gz NAFOYEZWBFPHOE-UHFFFAOYSA-N -1 0 361.810 4.309 50 0 FIAARM CC12CC3(CC(=O)[O-])C[C@](Br)(C1)C[C@](Br)(C2)C3 ZINC000001557540 210359046 /nfs/dbraw/zinc/35/90/46/210359046.db2.gz JSXBEUDVOWCUCG-BPNZPQAUSA-N -1 0 366.093 4.103 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1 ZINC000001436607 210353094 /nfs/dbraw/zinc/35/30/94/210353094.db2.gz HXRMWDRPSLHBPD-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM O=C([O-])c1ccccc1C(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000001305381 210341487 /nfs/dbraw/zinc/34/14/87/210341487.db2.gz NJRTVPNWIAJGMF-MRXNPFEDSA-N -1 0 367.376 4.069 50 0 FIAARM COc1ccc2nc([N-]c3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 ZINC000001245622 210338971 /nfs/dbraw/zinc/33/89/71/210338971.db2.gz UORULZGACDMTIC-UHFFFAOYSA-N -1 0 357.417 4.456 50 0 FIAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(Br)s1 ZINC000001139421 210322297 /nfs/dbraw/zinc/32/22/97/210322297.db2.gz IVIZLIVARXJIOQ-UHFFFAOYSA-N -1 0 370.652 4.104 50 0 FIAARM O=C([O-])c1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1 ZINC000058344313 221115053 /nfs/dbraw/zinc/11/50/53/221115053.db2.gz XNDWTLRGDVJGPH-UHFFFAOYSA-N -1 0 353.399 4.337 50 0 FIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000064979453 221161017 /nfs/dbraw/zinc/16/10/17/221161017.db2.gz FONJKYVBLVMBAV-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)o2)on1 ZINC000064958452 221158611 /nfs/dbraw/zinc/15/86/11/221158611.db2.gz QWKAOQGAMXFZGK-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)c1 ZINC000064958567 221158722 /nfs/dbraw/zinc/15/87/22/221158722.db2.gz PLXIEQKJLSYUML-UHFFFAOYSA-N -1 0 364.448 4.074 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1 ZINC000064979420 221160492 /nfs/dbraw/zinc/16/04/92/221160492.db2.gz HIZFNEQXZAEYDW-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)s1 ZINC000065183513 221175276 /nfs/dbraw/zinc/17/52/76/221175276.db2.gz GLFYPXJESIWCLC-UHFFFAOYSA-N -1 0 363.508 4.245 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cccnc21 ZINC000065242330 221185972 /nfs/dbraw/zinc/18/59/72/221185972.db2.gz ZPTFBZNLUZQFFQ-UHFFFAOYSA-N -1 0 363.870 4.291 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)c1C ZINC000065031304 221164623 /nfs/dbraw/zinc/16/46/23/221164623.db2.gz JKWCLDPJZWIVIY-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])cn1 ZINC000065380735 221206703 /nfs/dbraw/zinc/20/67/03/221206703.db2.gz JRELHIHZJJZATR-UHFFFAOYSA-N -1 0 370.412 4.062 50 0 FIAARM Cc1cccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000067245725 221249890 /nfs/dbraw/zinc/24/98/90/221249890.db2.gz IXPWVAGBOGUXRV-UHFFFAOYSA-N -1 0 357.410 4.074 50 0 FIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C)c1=O ZINC000100498430 222245421 /nfs/dbraw/zinc/24/54/21/222245421.db2.gz NCLRHYSQFMBIAO-UHFFFAOYSA-N -1 0 364.445 4.458 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2C)c1=O ZINC000100475738 222245807 /nfs/dbraw/zinc/24/58/07/222245807.db2.gz YXBKMQHNCHCUOP-UHFFFAOYSA-N -1 0 364.445 4.376 50 0 FIAARM O=c1c2cc(N3CCCCC3)ccc2[n-]c(=S)n1Cc1ccccc1 ZINC000002974096 263327540 /nfs/dbraw/zinc/32/75/40/263327540.db2.gz XULMUEIDWKLZFA-UHFFFAOYSA-N -1 0 351.475 4.098 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000020580298 521553998 /nfs/dbraw/zinc/55/39/98/521553998.db2.gz QYNFXQWYAQJQHM-UHFFFAOYSA-N -1 0 372.446 4.158 50 0 FIAARM Cc1oc(CSc2nnc(Nc3ccccc3C)s2)cc1C(=O)[O-] ZINC000008721036 526775849 /nfs/dbraw/zinc/77/58/49/526775849.db2.gz CPTIRCRVNNLTQW-UHFFFAOYSA-N -1 0 361.448 4.482 50 0 FIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(C)C ZINC000011566273 570480957 /nfs/dbraw/zinc/48/09/57/570480957.db2.gz DEDBNZYZNAMEHR-UHFFFAOYSA-N -1 0 363.479 4.495 50 0 FIAARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S ZINC000230197206 570524664 /nfs/dbraw/zinc/52/46/64/570524664.db2.gz GNLLQOWZFQSKHC-MBKXVRLSSA-N -1 0 361.488 4.087 50 0 FIAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCC2)cc1 ZINC000003883490 570570149 /nfs/dbraw/zinc/57/01/49/570570149.db2.gz LPGJFDJKGZMMCF-VQTJNVASSA-N -1 0 365.429 4.003 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1cccc(Br)c1 ZINC000004104976 570576041 /nfs/dbraw/zinc/57/60/41/570576041.db2.gz NKUSVNRZDILGSG-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 in-vivo FIAARM COC(=O)c1ccc2nc([N-]c3nc4ccc(OC)cc4s3)sc2c1 ZINC000005025735 570576230 /nfs/dbraw/zinc/57/62/30/570576230.db2.gz YRCGMAXGOOVABK-UHFFFAOYSA-N -1 0 371.443 4.445 50 0 FIAARM CC[C@@H](C)[C@H](C(=O)[O-])n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000005031251 570576641 /nfs/dbraw/zinc/57/66/41/570576641.db2.gz UAJTZFAZHIEZAX-CRAIPNDOSA-N -1 0 350.418 4.127 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000004241139 570581834 /nfs/dbraw/zinc/58/18/34/570581834.db2.gz NZVYODUEBIJKKN-KRWDZBQOSA-N -1 0 373.371 4.102 50 0 FIAARM O=C([O-])[C@@H]1CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000006344888 570645744 /nfs/dbraw/zinc/64/57/44/570645744.db2.gz JSVAQZVOHKGTJY-HUUCEWRRSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)[O-])c1C2 ZINC000002713118 570664577 /nfs/dbraw/zinc/66/45/77/570664577.db2.gz BTYZXLSNCSMORL-UHFFFAOYSA-N -1 0 364.426 4.325 50 0 FIAARM Cc1cccc(Nc2nc(O)c(CC(=O)Nc3ccccc3Cl)s2)c1 ZINC000007882907 570674871 /nfs/dbraw/zinc/67/48/71/570674871.db2.gz ZMVIRHNZQDMDOK-OAHLLOKOSA-N -1 0 373.865 4.087 50 0 FIAARM COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)c1 ZINC000012395330 570741830 /nfs/dbraw/zinc/74/18/30/570741830.db2.gz USPHMOGMDZDBCG-UHFFFAOYSA-N -1 0 373.359 4.007 50 0 FIAARM C[C@@](CC(=O)[O-])(C(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000169975486 570777103 /nfs/dbraw/zinc/77/71/03/570777103.db2.gz UFTXLSPXWWFFND-IBGZPJMESA-N -1 0 360.479 4.108 50 0 FIAARM CC(C)(C)c1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000169617439 570801272 /nfs/dbraw/zinc/80/12/72/570801272.db2.gz OIABDBWVECDPBC-UHFFFAOYSA-N -1 0 367.474 4.409 50 0 FIAARM O=c1c2sc3ncccc3c2[n-]c(=S)n1Cc1ccccc1Cl ZINC000101275627 570818163 /nfs/dbraw/zinc/81/81/63/570818163.db2.gz AJNCLYSVQWFGOO-UHFFFAOYSA-N -1 0 359.863 4.370 50 0 FIAARM CCn1c(=O)c(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101725451 570822873 /nfs/dbraw/zinc/82/28/73/570822873.db2.gz IYORWYKCWIVADC-UHFFFAOYSA-N -1 0 367.792 4.097 50 0 FIAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(C)c(C)c3)no2)c1=O ZINC000101725557 570822877 /nfs/dbraw/zinc/82/28/77/570822877.db2.gz DZHHPSHYRZBQEQ-UHFFFAOYSA-N -1 0 361.401 4.061 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@@H]1c1nnc(CSc2ccc(Cl)cc2)o1 ZINC000032937976 570878850 /nfs/dbraw/zinc/87/88/50/570878850.db2.gz YTOYVXIOHPTPQD-STQMWFEESA-N -1 0 350.827 4.150 50 0 FIAARM O=C1CC(=C([O-])c2ccc(Cl)s2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000046057913 570923174 /nfs/dbraw/zinc/92/31/74/570923174.db2.gz RLTSGNYVBXXCSW-JTQLQIEISA-N -1 0 357.822 4.100 50 0 FIAARM CSc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000225495245 571039703 /nfs/dbraw/zinc/03/97/03/571039703.db2.gz VZZCNRRKFMRZTO-UHFFFAOYSA-N -1 0 367.254 4.050 50 0 FIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000032971351 571078187 /nfs/dbraw/zinc/07/81/87/571078187.db2.gz SNECXSKTGGJIJU-UHFFFAOYSA-N -1 0 372.324 4.063 50 0 FIAARM Cc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1 ZINC000009095713 571095544 /nfs/dbraw/zinc/09/55/44/571095544.db2.gz FQJGUSAGZRJHOR-UHFFFAOYSA-N -1 0 362.429 4.173 50 0 FIAARM CC[C@@]1(C(=O)[O-])CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000213710055 571110284 /nfs/dbraw/zinc/11/02/84/571110284.db2.gz MCZKFDBPXUGEPJ-QFIPXVFZSA-N -1 0 365.429 4.265 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)c1C ZINC000009686731 571117140 /nfs/dbraw/zinc/11/71/40/571117140.db2.gz ULWGDLXRMKVFCK-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccc(C)cc2)cc1 ZINC000006623355 571237468 /nfs/dbraw/zinc/23/74/68/571237468.db2.gz SUJINAATKNXXRL-UHFFFAOYSA-N -1 0 369.490 4.242 50 0 FIAARM O=S(=O)([N-]c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000091695205 571242577 /nfs/dbraw/zinc/24/25/77/571242577.db2.gz SZXGUBWRAROJRG-UHFFFAOYSA-N -1 0 371.167 4.208 50 0 FIAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3c(C)noc3C)ccc21 ZINC000007056073 571259716 /nfs/dbraw/zinc/25/97/16/571259716.db2.gz RSOGIBMWFXUUGX-UHFFFAOYSA-N -1 0 369.446 4.220 50 0 FIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000007505328 571267070 /nfs/dbraw/zinc/26/70/70/571267070.db2.gz BFUMNUXNYYITLB-UHFFFAOYSA-N -1 0 359.369 4.295 50 0 FIAARM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000170607090 571267252 /nfs/dbraw/zinc/26/72/52/571267252.db2.gz DFNKPIZXMCPJND-SNVBAGLBSA-N -1 0 359.378 4.145 50 0 FIAARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(SC(F)F)cc1 ZINC000254501352 571275439 /nfs/dbraw/zinc/27/54/39/571275439.db2.gz QZGZYQLUQUEVJR-UHFFFAOYSA-N -1 0 360.389 4.192 50 0 FIAARM CC(C)Oc1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1Cl ZINC000253420423 571312835 /nfs/dbraw/zinc/31/28/35/571312835.db2.gz VOJXTIXLDLXREZ-UHFFFAOYSA-N -1 0 359.184 4.273 50 0 FIAARM CCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC000584898791 571315893 /nfs/dbraw/zinc/31/58/93/571315893.db2.gz JUUNZEBBNXUHMC-GOSISDBHSA-N -1 0 364.445 4.244 50 0 FIAARM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000095465019 571330386 /nfs/dbraw/zinc/33/03/86/571330386.db2.gz HHELESNHIWSKQO-UHFFFAOYSA-N -1 0 361.397 4.426 50 0 FIAARM CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000008106254 571359012 /nfs/dbraw/zinc/35/90/12/571359012.db2.gz GBBKYMGZHRLTSZ-CQSZACIVSA-N -1 0 361.463 4.018 50 0 FIAARM C[C@@H]1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000227731908 939043490 /nfs/dbraw/zinc/04/34/90/939043490.db2.gz BGHLFNKMTFSTHH-JLCFBVMHSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([O-])c(Br)c1 ZINC000001195053 1080561569 /nfs/dbraw/zinc/56/15/69/1080561569.db2.gz HWYVUBFVFIZCPC-MDWZMJQESA-N -1 0 357.207 4.009 50 0 FIAARM COc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1OC ZINC000170618842 1115739771 /nfs/dbraw/zinc/73/97/71/1115739771.db2.gz BLOVZMBEQUKCBK-CSKARUKUSA-N -1 0 362.385 4.029 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2ccccc2)cc1 ZINC000000712532 210264825 /nfs/dbraw/zinc/26/48/25/210264825.db2.gz MZZREBWDSGBECT-UHFFFAOYSA-N -1 0 353.443 4.375 50 0 FIAARM O=C([O-])c1ccc(CSCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000706233 210263771 /nfs/dbraw/zinc/26/37/71/210263771.db2.gz AUZMQKUPDGURMS-UHFFFAOYSA-N -1 0 351.427 4.410 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000643396 210255953 /nfs/dbraw/zinc/25/59/53/210255953.db2.gz GFHPRDCAVPKCIB-UHFFFAOYSA-N -1 0 351.427 4.067 50 0 FIAARM CCc1ccc(Nc2nnc(-c3cc4ccc([O-])cc4oc3=O)s2)cc1 ZINC000000633710 210254362 /nfs/dbraw/zinc/25/43/62/210254362.db2.gz FIPPKNHCOZEIHI-UHFFFAOYSA-N -1 0 365.414 4.323 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc2ccccc21)C(=O)[O-] ZINC000000621881 210252286 /nfs/dbraw/zinc/25/22/86/210252286.db2.gz BWZACKVIUSVDGM-OAQYLSRUSA-N -1 0 355.434 4.237 50 0 FIAARM O=C([O-])CC/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000033527900 210246348 /nfs/dbraw/zinc/24/63/48/210246348.db2.gz HFDVVICQOQGXDJ-LCYFTJDESA-N -1 0 353.399 4.430 50 0 FIAARM CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)[O-] ZINC000032634051 210244703 /nfs/dbraw/zinc/24/47/03/210244703.db2.gz VUBPPBPHRBMLDU-UHFFFAOYSA-N -1 0 352.386 4.264 50 0 FIAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc(OC)c1O ZINC000096767458 210241145 /nfs/dbraw/zinc/24/11/45/210241145.db2.gz QSTWQDLRUHPWOX-GHXNOFRVSA-N -1 0 371.414 4.034 50 0 FIAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccccc3OC)cc2)C1 ZINC000244594084 222924290 /nfs/dbraw/zinc/92/42/90/222924290.db2.gz DGEZUQFPZCRBNS-JOCHJYFZSA-N -1 0 367.445 4.079 50 0 FIAARM O=C([O-])c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCC2 ZINC000004174291 219552415 /nfs/dbraw/zinc/55/24/15/219552415.db2.gz YZRKRXFOGMSNIU-UHFFFAOYSA-N -1 0 351.427 4.269 50 0 FIAARM O=C([O-])c1cc(Br)ccc1NC(=O)CCCc1ccccc1 ZINC000004905595 219623312 /nfs/dbraw/zinc/62/33/12/219623312.db2.gz RSTDPTQPQIZOOH-UHFFFAOYSA-N -1 0 362.223 4.109 50 0 FIAARM CC(C)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccs1 ZINC000063809384 212034249 /nfs/dbraw/zinc/03/42/49/212034249.db2.gz OWVCUPVZJSZZBN-AWEZNQCLSA-N -1 0 359.476 4.187 50 0 FIAARM O=C([O-])C1(CC(=O)Nc2cccc(Br)c2)CCCCCC1 ZINC000013249802 220062170 /nfs/dbraw/zinc/06/21/70/220062170.db2.gz XLKMURPFNWXRNM-UHFFFAOYSA-N -1 0 354.244 4.203 50 0 FIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040313190 211685042 /nfs/dbraw/zinc/68/50/42/211685042.db2.gz KABQKXKODVCXMR-MRXNPFEDSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM Cc1cc([O-])c(C(=O)c2cnc3cc(-c4ccccc4)nn3c2)cc1Cl ZINC000021729209 211322101 /nfs/dbraw/zinc/32/21/01/211322101.db2.gz SSGATYSZICLFBW-UHFFFAOYSA-N -1 0 363.804 4.295 50 0 FIAARM O=C([O-])CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2 ZINC000013368632 211031653 /nfs/dbraw/zinc/03/16/53/211031653.db2.gz DUVWJPNCQSBPHX-UHFFFAOYSA-N -1 0 350.399 4.017 50 0 FIAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000006380540 210669078 /nfs/dbraw/zinc/66/90/78/210669078.db2.gz LVPDDMLRTRPAOZ-BQYQJAHWSA-N -1 0 363.207 4.135 50 0 FIAARM CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccccc1C ZINC000004920534 210578968 /nfs/dbraw/zinc/57/89/68/210578968.db2.gz DUYNDNVKILUIFD-UHFFFAOYSA-N -1 0 370.836 4.424 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000004163710 210512416 /nfs/dbraw/zinc/51/24/16/210512416.db2.gz WIMYBKKSJCKPOW-QWRGUYRKSA-N -1 0 362.838 4.069 50 0 FIAARM CC(C)(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002386113 210395302 /nfs/dbraw/zinc/39/53/02/210395302.db2.gz RPLVCXKSSXJFDS-LJQANCHMSA-N -1 0 367.445 4.415 50 0 FIAARM CCc1nc2c3ccccc3oc2c(N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000002377560 210394609 /nfs/dbraw/zinc/39/46/09/210394609.db2.gz BIZTZSJLJJCTPW-HNNXBMFYSA-N -1 0 361.401 4.046 50 0 FIAARM Cc1c(OCc2ccccc2F)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002146982 210382118 /nfs/dbraw/zinc/38/21/18/210382118.db2.gz CCBPOWHHTQKOLH-UHFFFAOYSA-N -1 0 370.376 4.145 50 0 biogenic FIAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000001402914 210349754 /nfs/dbraw/zinc/34/97/54/210349754.db2.gz DKVAOWFZYVTMEK-HNNXBMFYSA-N -1 0 369.364 4.203 50 0 FIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000001196477 210334372 /nfs/dbraw/zinc/33/43/72/210334372.db2.gz FBNQKHVGOCSWNA-MDZDMXLPSA-N -1 0 369.218 4.400 50 0 FIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000001193558 210333783 /nfs/dbraw/zinc/33/37/83/210333783.db2.gz WWRCICKNTUVWFD-UHFFFAOYSA-N -1 0 358.191 4.371 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1Cl ZINC000001065534 210310829 /nfs/dbraw/zinc/31/08/29/210310829.db2.gz GSYIVPQAXUJWHI-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM O=C([O-])CC1(CC(=O)NCc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000001025498 210303738 /nfs/dbraw/zinc/30/37/38/210303738.db2.gz SCEMBCXUGREEPL-UHFFFAOYSA-N -1 0 357.372 4.137 50 0 FIAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c(C)c1C ZINC000001050376 210309459 /nfs/dbraw/zinc/30/94/59/210309459.db2.gz VYVPXOUFQZGTCJ-UHFFFAOYSA-N -1 0 369.870 4.165 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1Nc1ncnc2ccc(Br)cc21 ZINC000000951929 210295650 /nfs/dbraw/zinc/29/56/50/210295650.db2.gz XHLHFDWCTWIKOV-UHFFFAOYSA-N -1 0 358.195 4.143 50 0 FIAARM C[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000000902175 210288708 /nfs/dbraw/zinc/28/87/08/210288708.db2.gz GOCUAJYOYBLQRH-MRVPVSSYSA-N -1 0 361.703 4.398 50 0 in-vivo FIAARM O=C([O-])c1cc(NC(=O)C2CCCCC2)cc(NC(=O)C2CCCCC2)c1 ZINC000000857570 210282000 /nfs/dbraw/zinc/28/20/00/210282000.db2.gz SGVKMYMWTMFTPH-UHFFFAOYSA-N -1 0 372.465 4.422 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)c1C ZINC000065031296 221164915 /nfs/dbraw/zinc/16/49/15/221164915.db2.gz VZCWYJLQZCLFPM-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM C[C@H](Cn1cccn1)n1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065424808 221217300 /nfs/dbraw/zinc/21/73/00/221217300.db2.gz VLZIADYTCOLVSV-MRXNPFEDSA-N -1 0 372.428 4.373 50 0 FIAARM CCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000002275386 132383090 /nfs/dbraw/zinc/38/30/90/132383090.db2.gz CLTRHPZGVHXSHM-UHFFFAOYSA-N -1 0 374.456 4.409 50 0 FIAARM O=C([O-])C1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000002419701 132383456 /nfs/dbraw/zinc/38/34/56/132383456.db2.gz BNSZEIKEMYRUBM-UHFFFAOYSA-N -1 0 373.412 4.344 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)c(C(=O)[O-])c2)c1 ZINC000046053442 136122045 /nfs/dbraw/zinc/12/20/45/136122045.db2.gz KQRNLCWRRABIQH-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588767 136133301 /nfs/dbraw/zinc/13/33/01/136133301.db2.gz VQFRXYXXNOZVHE-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)C1 ZINC000064820436 136133876 /nfs/dbraw/zinc/13/38/76/136133876.db2.gz CAYAOZVSZIQRPN-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM CC(C)(C)c1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cc1 ZINC000091769483 221795275 /nfs/dbraw/zinc/79/52/75/221795275.db2.gz YVPYVBYHNYUANE-RBUKOAKNSA-N -1 0 369.436 4.064 50 0 FIAARM CCc1ccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000096997105 222149120 /nfs/dbraw/zinc/14/91/20/222149120.db2.gz BQEOFTZQVOAPMC-ATVHPVEESA-N -1 0 358.441 4.481 50 0 FIAARM C[C@@H](Oc1cccc(C=C(Cl)c2nc3c(cccc3F)[nH]2)c1)C(=O)[O-] ZINC000098055767 222224023 /nfs/dbraw/zinc/22/40/23/222224023.db2.gz NYDKITJXJNYVNU-PEHNMLCRSA-N -1 0 360.772 4.291 50 0 FIAARM COc1ccc(-n2[n-]c(C)c(Cc3ccc(Br)cc3)c2=O)cc1 ZINC000100139176 222236938 /nfs/dbraw/zinc/23/69/38/222236938.db2.gz TUPOMRPYIJZQHZ-UHFFFAOYSA-N -1 0 373.250 4.248 50 0 FIAARM CCCc1[n-]n(C(=O)C(C)(C)C)c(=O)c1Cc1c(F)cccc1Cl ZINC000100311012 222241555 /nfs/dbraw/zinc/24/15/55/222241555.db2.gz HHETZHZFZVMIKN-GFCCVEGCSA-N -1 0 352.837 4.209 50 0 FIAARM CCCCc1c(C)nc2[n-]c(C(c3ccccc3)c3ccccc3)nn2c1=O ZINC000101418181 222274528 /nfs/dbraw/zinc/27/45/28/222274528.db2.gz PEUBQPXCTPTKAM-UHFFFAOYSA-N -1 0 372.472 4.249 50 0 FIAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101944552 222287113 /nfs/dbraw/zinc/28/71/13/222287113.db2.gz ZAHFYWLGSSSIBO-UHFFFAOYSA-N -1 0 359.429 4.318 50 0 FIAARM Cc1ccc2c(c1)c(CC(=O)Nc1cccc(Cl)c1)c(C(=O)[O-])n2C ZINC000004821730 570514933 /nfs/dbraw/zinc/51/49/33/570514933.db2.gz DQQMDOMMAGWRNG-UHFFFAOYSA-N -1 0 356.809 4.020 50 0 FIAARM CCOc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c(C)cc1C ZINC000002886207 570543105 /nfs/dbraw/zinc/54/31/05/570543105.db2.gz BBQIJRNSDUDDMP-UHFFFAOYSA-N -1 0 369.870 4.165 50 0 FIAARM CC(C)Cn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000003887656 570570186 /nfs/dbraw/zinc/57/01/86/570570186.db2.gz JKSSTHHYYPEPGQ-UHFFFAOYSA-N -1 0 360.266 4.085 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000004241195 570581710 /nfs/dbraw/zinc/58/17/10/570581710.db2.gz BOEGKJLPJARVIT-OAQYLSRUSA-N -1 0 361.482 4.381 50 0 FIAARM c1ccc(C(=NNc2nnc3c4ccccc4nc-3[n-]2)c2ccccc2)cc1 ZINC000075280285 570611492 /nfs/dbraw/zinc/61/14/92/570611492.db2.gz PYGWTQBOAURMEJ-UHFFFAOYSA-N -1 0 364.412 4.371 50 0 FIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000007402837 570663701 /nfs/dbraw/zinc/66/37/01/570663701.db2.gz OZTSNESGUOAXGD-UHFFFAOYSA-N -1 0 366.689 4.273 50 0 FIAARM Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O[C@H](C)C(=O)[O-])cc1 ZINC000005557075 570671882 /nfs/dbraw/zinc/67/18/82/570671882.db2.gz QYIIYLRDUQDSFB-CQSZACIVSA-N -1 0 352.386 4.237 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccccc1Br ZINC000001175148 570764120 /nfs/dbraw/zinc/76/41/20/570764120.db2.gz UFBUIUXMFQOGMJ-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2F)C1 ZINC000006429647 570864102 /nfs/dbraw/zinc/86/41/02/570864102.db2.gz JZOMAOCGTVZCFY-RVDMUPIBSA-N -1 0 362.404 4.448 50 0 FIAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c1C ZINC000044891040 570902056 /nfs/dbraw/zinc/90/20/56/570902056.db2.gz DYBZMSIVJYHZNP-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CN(Cc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053363 570921951 /nfs/dbraw/zinc/92/19/51/570921951.db2.gz IGUJGOUUMZUAIB-UHFFFAOYSA-N -1 0 366.442 4.335 50 0 FIAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000601013344 570993853 /nfs/dbraw/zinc/99/38/53/570993853.db2.gz IUXAQXHMVAZGGR-RTBURBONSA-N -1 0 367.445 4.217 50 0 FIAARM O=C([N-]c1nonc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000027663315 571017625 /nfs/dbraw/zinc/01/76/25/571017625.db2.gz KVQYSZWHLBJBDE-UHFFFAOYSA-N -1 0 366.764 4.297 50 0 FIAARM O=C([O-])C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000028495883 571030947 /nfs/dbraw/zinc/03/09/47/571030947.db2.gz MQGAKPOYAAFWIV-LCYFTJDESA-N -1 0 353.399 4.083 50 0 FIAARM Cc1cc(S(=O)(=O)Nc2ccncc2)c(C(C)C)cc1Br ZINC000032602041 571058512 /nfs/dbraw/zinc/05/85/12/571058512.db2.gz KCQWSPKEELICQM-UHFFFAOYSA-N -1 0 369.284 4.077 50 0 FIAARM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000012779460 571097962 /nfs/dbraw/zinc/09/79/62/571097962.db2.gz CYZQQJYZXBEEFO-OAHLLOKOSA-N -1 0 361.825 4.040 50 0 FIAARM O=S(=O)([N-]c1ccccc1-c1cccs1)c1ccc(F)c(F)c1 ZINC000010512204 571127814 /nfs/dbraw/zinc/12/78/14/571127814.db2.gz XXVOWHCFTGGUFD-UHFFFAOYSA-N -1 0 351.399 4.494 50 0 FIAARM C=C1C[C@H](O)[C@@H](C/C=C\CCCC(=O)[O-])[C@H]1/C=C/[C@@H](O)CCCCC ZINC000027639358 571128161 /nfs/dbraw/zinc/12/81/61/571128161.db2.gz ROZAFJXVUNORLT-HTYHZIBPSA-N -1 0 350.499 4.238 50 0 FIAARM CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000004688511 571161563 /nfs/dbraw/zinc/16/15/63/571161563.db2.gz JEWRODCEXGTXTI-UHFFFAOYSA-N -1 0 353.403 4.210 50 0 FIAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(-c2cc[nH]n2)s1 ZINC000075351866 571162103 /nfs/dbraw/zinc/16/21/03/571162103.db2.gz YAHSRHLQUMWPLF-UHFFFAOYSA-N -1 0 355.444 4.092 50 0 FIAARM CCCC(=O)NC([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000005950935 571169268 /nfs/dbraw/zinc/16/92/68/571169268.db2.gz WFXAYMUCNDIQIH-UHFFFAOYSA-N -1 0 362.701 4.489 50 0 FIAARM Cc1cc(N2CC[C@@H](c3ccccc3C(=O)[O-])C2)nc(-c2ccccc2)n1 ZINC000072161267 571175650 /nfs/dbraw/zinc/17/56/50/571175650.db2.gz BJHSSPMIGWQGNO-QGZVFWFLSA-N -1 0 359.429 4.144 50 0 FIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000003624685 571186277 /nfs/dbraw/zinc/18/62/77/571186277.db2.gz AYULTRPGSKOZKK-OXJNMPFZSA-N -1 0 369.461 4.300 50 0 FIAARM O=C([O-])c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3ccccc3)o2)c1 ZINC000252610856 571204473 /nfs/dbraw/zinc/20/44/73/571204473.db2.gz IETJZHIIWJJMKF-UHFFFAOYSA-N -1 0 368.776 4.062 50 0 FIAARM O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 ZINC000011300279 571231699 /nfs/dbraw/zinc/23/16/99/571231699.db2.gz JUBMKQRDNQWPIN-UHFFFAOYSA-N -1 0 372.833 4.044 50 0 FIAARM Cc1ccccc1-c1csc2[nH]c(CN3CCCC[C@@H]3C)nc(=O)c12 ZINC000036203834 571245031 /nfs/dbraw/zinc/24/50/31/571245031.db2.gz HIFCIURDHLOQRO-AWEZNQCLSA-N -1 0 353.491 4.334 50 0 FIAARM Cc1cc(C)n(-c2nc3ccccc3nc2Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000006785984 571246468 /nfs/dbraw/zinc/24/64/68/571246468.db2.gz LQBPMIKMXMLOOL-UHFFFAOYSA-N -1 0 373.416 4.183 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)o1 ZINC000065003753 571250061 /nfs/dbraw/zinc/25/00/61/571250061.db2.gz QNLOZDAPTMFLLU-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)o1 ZINC000065003858 571250088 /nfs/dbraw/zinc/25/00/88/571250088.db2.gz MLFOXJFGWFDULA-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004087 571250243 /nfs/dbraw/zinc/25/02/43/571250243.db2.gz SCQOBIMSUCAQNX-UHFFFAOYSA-N -1 0 360.460 4.390 50 0 FIAARM CC[C@H](NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(=O)[O-] ZINC000237064106 571277240 /nfs/dbraw/zinc/27/72/40/571277240.db2.gz PJSXYUHUGKGNLR-HNNXBMFYSA-N -1 0 367.323 4.091 50 0 FIAARM O=c1c2ccccc2oc([O-])c1-c1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000888088920 1086537909 /nfs/dbraw/zinc/53/79/09/1086537909.db2.gz XQMBFKLQCKXAJS-UHFFFAOYSA-N -1 0 370.364 4.186 50 0 FIAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000206404825 1096730874 /nfs/dbraw/zinc/73/08/74/1096730874.db2.gz GALDTZQFQJYGGR-ZDUSSCGKSA-N -1 0 366.870 4.001 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])n2)s1 ZINC000000205108 210247223 /nfs/dbraw/zinc/24/72/23/210247223.db2.gz QUFLODYTHHJZSB-GHMZBOCLSA-N -1 0 350.465 4.010 50 0 FIAARM COc1cccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c1OC(F)F ZINC000096035425 210236069 /nfs/dbraw/zinc/23/60/69/210236069.db2.gz DVWSQYUNRUFTKS-YMBWGVAGSA-N -1 0 353.346 4.021 50 0 FIAARM COc1ccc(-c2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1OC ZINC000005485148 210229841 /nfs/dbraw/zinc/22/98/41/210229841.db2.gz WYVFALHDGUUCAQ-UHFFFAOYSA-N -1 0 366.291 4.202 50 0 biogenic FIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2C)on1 ZINC000064845451 212046186 /nfs/dbraw/zinc/04/61/86/212046186.db2.gz FULZJTVHSHZDOC-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccc(Cl)cc1Cl ZINC000023731134 211395751 /nfs/dbraw/zinc/39/57/51/211395751.db2.gz QUNRCMKMLZLJEX-UHFFFAOYSA-N -1 0 354.262 4.336 50 0 FIAARM Cc1nc2ccc([N-]S(=O)(=O)c3cccc4cc(C)cnc43)cc2s1 ZINC000023371499 211387277 /nfs/dbraw/zinc/38/72/77/211387277.db2.gz KVSPTVOFBAHYKI-UHFFFAOYSA-N -1 0 369.471 4.262 50 0 FIAARM [O-]c1c([C@H](c2cccs2)N2CCCC2)sc2nc(-c3ccco3)nn12 ZINC000022852556 211364869 /nfs/dbraw/zinc/36/48/69/211364869.db2.gz BMEGZVWVNAWWJW-ZDUSSCGKSA-N -1 0 372.475 4.003 50 0 FIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000020627248 211292154 /nfs/dbraw/zinc/29/21/54/211292154.db2.gz NSVRFNQIXKHICO-UHFFFAOYSA-N -1 0 352.264 4.173 50 0 FIAARM CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)CCCC(=O)[O-])s1 ZINC000017076613 211179721 /nfs/dbraw/zinc/17/97/21/211179721.db2.gz SFBJSNCBKVJDDH-UHFFFAOYSA-N -1 0 374.462 4.317 50 0 FIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1cccnc1)CCCCCC3 ZINC000017073843 211178137 /nfs/dbraw/zinc/17/81/37/211178137.db2.gz HEDFMIYKKCKNMG-UHFFFAOYSA-N -1 0 357.504 4.223 50 0 FIAARM COC(=O)c1c(SCc2ccccc2Cl)[n-]c2ccccc2c1=O ZINC000015731496 211139536 /nfs/dbraw/zinc/13/95/36/211139536.db2.gz BHCBKBMXRNVVJF-UHFFFAOYSA-N -1 0 359.834 4.260 50 0 FIAARM CCCCN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632645 211096275 /nfs/dbraw/zinc/09/62/75/211096275.db2.gz AHCYCZGWKMLVNV-UHFFFAOYSA-N -1 0 353.418 4.122 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1C ZINC000014205654 211085605 /nfs/dbraw/zinc/08/56/05/211085605.db2.gz YGXOLRXNDIAXCI-UHFFFAOYSA-N -1 0 359.369 4.045 50 0 FIAARM O=c1cc([O-])c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000013401791 211033087 /nfs/dbraw/zinc/03/30/87/211033087.db2.gz SRTQIISYGUSLIN-UHFFFAOYSA-N -1 0 363.320 4.337 50 0 FIAARM CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000010287518 210868749 /nfs/dbraw/zinc/86/87/49/210868749.db2.gz DPVLXWUDYPHWNQ-UHFFFAOYSA-N -1 0 360.797 4.029 50 0 FIAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000007603940 210744918 /nfs/dbraw/zinc/74/49/18/210744918.db2.gz DWXKJKSWOXAWEF-UHFFFAOYSA-N -1 0 351.196 4.125 50 0 FIAARM O=C([O-])/C(=C\c1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 ZINC000005647154 210633659 /nfs/dbraw/zinc/63/36/59/210633659.db2.gz FBUHOWSVDCXNCN-RCCKNPSSSA-N -1 0 373.408 4.121 50 0 FIAARM CC(C)C[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000004576660 210542804 /nfs/dbraw/zinc/54/28/04/210542804.db2.gz RDVHQMIBJLJZNQ-LZGZYFLISA-N -1 0 369.505 4.384 50 0 FIAARM COc1ccc(CN(C(=O)c2ccccc2)c2ccccc2C(=O)[O-])cc1 ZINC000004155043 210512606 /nfs/dbraw/zinc/51/26/06/210512606.db2.gz DXBBEGNOXILMTA-UHFFFAOYSA-N -1 0 361.397 4.240 50 0 FIAARM CC(C)c1ccc(N(C)C(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000003660320 210491409 /nfs/dbraw/zinc/49/14/09/210491409.db2.gz SFUMPQYTJQTUFS-UHFFFAOYSA-N -1 0 364.445 4.205 50 0 FIAARM CCc1ccc2nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 ZINC000002329150 210391439 /nfs/dbraw/zinc/39/14/39/210391439.db2.gz YCFHNEXQDSSGPX-UHFFFAOYSA-N -1 0 361.449 4.189 50 0 FIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC000002243684 210386151 /nfs/dbraw/zinc/38/61/51/210386151.db2.gz JGWHUIQSEKGLAQ-FQEVSTJZSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1ccccc1COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000002150027 210381410 /nfs/dbraw/zinc/38/14/10/210381410.db2.gz DOSYRRRGZXQYIO-UHFFFAOYSA-N -1 0 366.413 4.314 50 0 biogenic FIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)c12 ZINC000020616852 220336436 /nfs/dbraw/zinc/33/64/36/220336436.db2.gz CUFRZNDCMRBVTK-UHFFFAOYSA-N -1 0 363.339 4.127 50 0 FIAARM Cc1ccc(NC(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1Cl ZINC000001168876 210329603 /nfs/dbraw/zinc/32/96/03/210329603.db2.gz GEHJWRNEOUMLPG-UHFFFAOYSA-N -1 0 374.824 4.094 50 0 FIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000001166878 210328744 /nfs/dbraw/zinc/32/87/44/210328744.db2.gz XBKUEIYJJDTEMX-UHFFFAOYSA-N -1 0 355.415 4.288 50 0 FIAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cc3ccccc3)cc2)cc1 ZINC000001117121 210320070 /nfs/dbraw/zinc/32/00/70/210320070.db2.gz MNHWWGDXBDXWDH-UHFFFAOYSA-N -1 0 364.466 4.242 50 0 FIAARM O=S(=O)([N-]c1cccnc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001100395 210317019 /nfs/dbraw/zinc/31/70/19/210317019.db2.gz FRVBIHPTFIGDSE-UHFFFAOYSA-N -1 0 360.822 4.328 50 0 FIAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCCCC3)c([O-])n2n1 ZINC000022626030 220392936 /nfs/dbraw/zinc/39/29/36/220392936.db2.gz SDTYWPJPSFTZBZ-AWEZNQCLSA-N -1 0 362.886 4.034 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1C ZINC000065246404 221186920 /nfs/dbraw/zinc/18/69/20/221186920.db2.gz HSZDZBJXGMOLHQ-UHFFFAOYSA-N -1 0 373.434 4.015 50 0 FIAARM C[C@@H](Cn1cccn1)n1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065424805 221217625 /nfs/dbraw/zinc/21/76/25/221217625.db2.gz VLZIADYTCOLVSV-INIZCTEOSA-N -1 0 372.428 4.373 50 0 FIAARM CCOc1ccc(-c2ccnc(N[C@@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000071775951 221374938 /nfs/dbraw/zinc/37/49/38/221374938.db2.gz OPZVBCTYRUWAPX-AWEZNQCLSA-N -1 0 363.417 4.414 50 0 FIAARM O=C([O-])C[C@H](c1ccco1)n1cnc(-c2ccccc2)c1-c1cccnc1 ZINC000091526151 221765187 /nfs/dbraw/zinc/76/51/87/221765187.db2.gz VFUPAINGSYDDAJ-QGZVFWFLSA-N -1 0 359.385 4.269 50 0 FIAARM COc1ccc2c(c1)sc1nc([O-])c(-c3c(C)cc(C)cc3C)c(=O)n21 ZINC000095346827 221850093 /nfs/dbraw/zinc/85/00/93/221850093.db2.gz LQIIUHVWGGKSNK-UHFFFAOYSA-N -1 0 366.442 4.216 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000096323585 222114387 /nfs/dbraw/zinc/11/43/87/222114387.db2.gz VPXNQNKAXRKUCK-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccc(Br)cc2)c1=O ZINC000100139202 222237526 /nfs/dbraw/zinc/23/75/26/222237526.db2.gz GCRXKQICIATGNX-UHFFFAOYSA-N -1 0 373.250 4.248 50 0 FIAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccc(OC)cc2)cc3=O)cc1 ZINC000102665545 222304326 /nfs/dbraw/zinc/30/43/26/222304326.db2.gz YYBOYHLIHMDSFL-UHFFFAOYSA-N -1 0 361.401 4.095 50 0 FIAARM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000020978745 523854493 /nfs/dbraw/zinc/85/44/93/523854493.db2.gz WYHRNZRGIBCJGB-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000012293410 568091466 /nfs/dbraw/zinc/09/14/66/568091466.db2.gz FKEDCNAQGXUBND-UHFFFAOYSA-N -1 0 359.447 4.233 50 0 FIAARM Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000095067965 570451213 /nfs/dbraw/zinc/45/12/13/570451213.db2.gz RFHAXSOPIVSJNQ-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000011565891 570480933 /nfs/dbraw/zinc/48/09/33/570480933.db2.gz ZAHLGSOUHMNFFV-UHFFFAOYSA-N -1 0 363.479 4.414 50 0 FIAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000002509197 570522730 /nfs/dbraw/zinc/52/27/30/570522730.db2.gz UDEXIDXMVVSNGF-QGZVFWFLSA-N -1 0 356.447 4.060 50 0 FIAARM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)c(OC)cc1Cl ZINC000002836497 570535279 /nfs/dbraw/zinc/53/52/79/570535279.db2.gz AGELKVILAOJPFI-UHFFFAOYSA-N -1 0 369.870 4.083 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C)nc2)cc1F ZINC000034840407 570556903 /nfs/dbraw/zinc/55/69/03/570556903.db2.gz CRACVSOYJXDTET-UHFFFAOYSA-N -1 0 372.421 4.431 50 0 FIAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000004241125 570581804 /nfs/dbraw/zinc/58/18/04/570581804.db2.gz WXGUGSIKOXDJSI-QGZVFWFLSA-N -1 0 373.371 4.102 50 0 FIAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COc1cccc2ccccc21 ZINC000004826047 570608902 /nfs/dbraw/zinc/60/89/02/570608902.db2.gz JGBZPKPCLDMFCI-UHFFFAOYSA-N -1 0 355.777 4.209 50 0 FIAARM CCCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3OC)c2n1 ZINC000005564111 570630800 /nfs/dbraw/zinc/63/08/00/570630800.db2.gz LZUVRBSJVBCEMI-UHFFFAOYSA-N -1 0 373.456 4.242 50 0 FIAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(CCc4ccccc4)c(=O)c23)C1 ZINC000006420481 570646952 /nfs/dbraw/zinc/64/69/52/570646952.db2.gz ZGMDDXCAAKUXTC-GFCCVEGCSA-N -1 0 356.516 4.488 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000007405713 570663811 /nfs/dbraw/zinc/66/38/11/570663811.db2.gz AAIINWFLMMFBDN-UHFFFAOYSA-N -1 0 371.714 4.438 50 0 FIAARM CCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)c2ccccc12 ZINC000008714961 570685709 /nfs/dbraw/zinc/68/57/09/570685709.db2.gz ZIRDIWNKOVVFNI-UHFFFAOYSA-N -1 0 356.447 4.133 50 0 FIAARM CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000011566013 570703527 /nfs/dbraw/zinc/70/35/27/570703527.db2.gz GFJRSWVJMAHWMO-UHFFFAOYSA-N -1 0 362.495 4.493 50 0 FIAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000011962219 570713505 /nfs/dbraw/zinc/71/35/05/570713505.db2.gz VIAVAJISNWPLSZ-UHFFFAOYSA-N -1 0 351.196 4.043 50 0 FIAARM O=C([O-])[C@H]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000194779620 570889301 /nfs/dbraw/zinc/88/93/01/570889301.db2.gz KKTSXQRTCVBJPG-QMMMGPOBSA-N -1 0 358.246 4.145 50 0 FIAARM Cc1ccc(Nc2[n-]n3c(nc(C)cc3=O)c2NC(=O)c2ccccc2)cc1 ZINC000112579841 570959285 /nfs/dbraw/zinc/95/92/85/570959285.db2.gz DWKXCJQFPDOCQM-UHFFFAOYSA-N -1 0 373.416 4.048 50 0 FIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1Cl ZINC000025368499 570994724 /nfs/dbraw/zinc/99/47/24/570994724.db2.gz AOVKLLOVPLLXLS-UHFFFAOYSA-N -1 0 373.261 4.061 50 0 FIAARM CCc1cc2c(cc1[O-])occ(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008393099 571044607 /nfs/dbraw/zinc/04/46/07/571044607.db2.gz LJNGLZIVCIPGHB-UHFFFAOYSA-N -1 0 350.399 4.247 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000004163707 571052146 /nfs/dbraw/zinc/05/21/46/571052146.db2.gz WIMYBKKSJCKPOW-MNOVXSKESA-N -1 0 362.838 4.069 50 0 FIAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2c1cccs1 ZINC000040283801 571093149 /nfs/dbraw/zinc/09/31/49/571093149.db2.gz QIIKOVZPEKLSFI-GFCCVEGCSA-N -1 0 356.378 4.500 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000004598954 571101572 /nfs/dbraw/zinc/10/15/72/571101572.db2.gz FHSBIDGOYLEMNL-PMACEKPBSA-N -1 0 367.445 4.138 50 0 FIAARM O=C([O-])c1cccc(CNc2nc3cc(Cl)c4cccnc4c3o2)c1 ZINC000045221862 571106339 /nfs/dbraw/zinc/10/63/39/571106339.db2.gz LHAYLXNEAQQELU-UHFFFAOYSA-N -1 0 353.765 4.340 50 0 FIAARM C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(-c2ccccc2)c(F)c1 ZINC000244723877 571115421 /nfs/dbraw/zinc/11/54/21/571115421.db2.gz MJEFVZDGWJGCHQ-AWEZNQCLSA-N -1 0 355.409 4.110 50 0 FIAARM CC1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000070915625 571117784 /nfs/dbraw/zinc/11/77/84/571117784.db2.gz NVLVYKWFJWQKMG-UHFFFAOYSA-N -1 0 365.429 4.122 50 0 FIAARM O=C([O-])C[C@H](NC(=O)c1ccccc1F)c1ccc(OC2CCCC2)cc1 ZINC000004653996 571154619 /nfs/dbraw/zinc/15/46/19/571154619.db2.gz WUYMJOMTNBSLDS-IBGZPJMESA-N -1 0 371.408 4.093 50 0 FIAARM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cc(Cl)ccc1Cl ZINC000035592593 571182581 /nfs/dbraw/zinc/18/25/81/571182581.db2.gz PYJAERXLWHRYNO-UHFFFAOYSA-N -1 0 352.626 4.153 50 0 FIAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)n[nH]2)cc1 ZINC000005827294 571166349 /nfs/dbraw/zinc/16/63/49/571166349.db2.gz WOFPRADGMOBLLN-UHFFFAOYSA-N -1 0 355.463 4.309 50 0 FIAARM CCCc1cc2c(cc1[O-])occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000005900293 571167824 /nfs/dbraw/zinc/16/78/24/571167824.db2.gz IKTHWJWVBYKWAF-UHFFFAOYSA-N -1 0 352.386 4.279 50 0 biogenic FIAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)c1C ZINC000075435383 571178887 /nfs/dbraw/zinc/17/88/87/571178887.db2.gz YLPLXNYYDRPKEQ-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000003626636 571186168 /nfs/dbraw/zinc/18/61/68/571186168.db2.gz HBVMXVNEANDPAO-SFHVURJKSA-N -1 0 369.461 4.004 50 0 FIAARM S=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc2c(c1)OCCO2 ZINC000006445431 571193388 /nfs/dbraw/zinc/19/33/88/571193388.db2.gz JLGLRYUZGSEZCN-UHFFFAOYSA-N -1 0 369.490 4.169 50 0 FIAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCCCC3)c([O-])n2n1 ZINC000023157696 571218988 /nfs/dbraw/zinc/21/89/88/571218988.db2.gz IPUKUSIGHIRCDO-CQSZACIVSA-N -1 0 362.886 4.034 50 0 FIAARM Clc1ccc(Cc2nc(CN=c3nc(C4CC4)[n-]s3)cs2)cc1 ZINC000585139179 571227639 /nfs/dbraw/zinc/22/76/39/571227639.db2.gz HZAVRIIXYDMNQJ-UHFFFAOYSA-N -1 0 362.911 4.150 50 0 FIAARM Cc1ccccc1-c1csc2[nH]c(CN3CCCC[C@H]3C)nc(=O)c12 ZINC000036203838 571244968 /nfs/dbraw/zinc/24/49/68/571244968.db2.gz HIFCIURDHLOQRO-CQSZACIVSA-N -1 0 353.491 4.334 50 0 FIAARM O=C([O-])Cc1c(-c2ccc(Cl)cc2)oc2c1c(=O)oc1ccccc21 ZINC000524730878 571258565 /nfs/dbraw/zinc/25/85/65/571258565.db2.gz APQFQXIKDSGSIG-UHFFFAOYSA-N -1 0 354.745 4.487 50 0 biogenic FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000007051279 571258995 /nfs/dbraw/zinc/25/89/95/571258995.db2.gz MTQRYPCPCYUTKE-UHFFFAOYSA-N -1 0 358.419 4.193 50 0 FIAARM C[C@H](Oc1ccc(CC(=O)[O-])cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000170086667 571262085 /nfs/dbraw/zinc/26/20/85/571262085.db2.gz AFMGOUBXSFESOR-NSHDSACASA-N -1 0 358.781 4.157 50 0 FIAARM CCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000248319870 571291298 /nfs/dbraw/zinc/29/12/98/571291298.db2.gz RHGCCTDOGPUFRI-IYWMVGAKSA-N -1 0 350.414 4.004 50 0 FIAARM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000095459313 571330098 /nfs/dbraw/zinc/33/00/98/571330098.db2.gz HENXMFXTEPNZKH-APPDUMDISA-N -1 0 372.446 4.005 50 0 FIAARM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004141936 571356174 /nfs/dbraw/zinc/35/61/74/571356174.db2.gz CARGTECPHKJDLX-QZTJIDSGSA-N -1 0 373.449 4.029 50 0 FIAARM O=C([O-])C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000004602542 1081827759 /nfs/dbraw/zinc/82/77/59/1081827759.db2.gz UAWRWJQMQNSANE-UTNBAMHJSA-N -1 0 361.869 4.188 50 0 FIAARM CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)[O-])CCC3 ZINC000003902496 210228397 /nfs/dbraw/zinc/22/83/97/210228397.db2.gz CBQDOUMZGJALAW-CYBMUJFWSA-N -1 0 358.434 4.256 50 0 biogenic FIAARM CCCCc1cc2c(cc1OCc1ccccc1)[n-]cc(C(=O)OC)c2=O ZINC000100033029 210082376 /nfs/dbraw/zinc/08/23/76/210082376.db2.gz NNOPDLNHPOLRRE-UHFFFAOYSA-N -1 0 365.429 4.236 50 0 endogenous,in-man FIAARM CCOC(=O)c1sc([N-]c2nccc(-c3ccc(Cl)cc3)n2)nc1C ZINC000253495636 210065581 /nfs/dbraw/zinc/06/55/81/210065581.db2.gz LVZQQCVVVFPWGV-UHFFFAOYSA-N -1 0 374.853 4.482 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000001006310 219353176 /nfs/dbraw/zinc/35/31/76/219353176.db2.gz NZMNDTGOODAUNI-QUCCMNQESA-N -1 0 365.429 4.169 50 0 FIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(Br)cc1 ZINC000001208356 219389446 /nfs/dbraw/zinc/38/94/46/219389446.db2.gz DQXYYAWXNGNQQL-UHFFFAOYSA-N -1 0 354.587 4.053 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1-c1ccno1 ZINC000064845188 212046675 /nfs/dbraw/zinc/04/66/75/212046675.db2.gz MEPXIPUKWLEGKL-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cc1ccccc1 ZINC000016729673 220192567 /nfs/dbraw/zinc/19/25/67/220192567.db2.gz LHPWEVVYFXXEDJ-UHFFFAOYSA-N -1 0 359.472 4.148 50 0 FIAARM COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1 ZINC000033784994 211613151 /nfs/dbraw/zinc/61/31/51/211613151.db2.gz GVLWEOZHRQJRTQ-ZROIWOOFSA-N -1 0 361.397 4.437 50 0 FIAARM COc1cc(OC)c(OC)cc1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC000033530874 211607146 /nfs/dbraw/zinc/60/71/46/211607146.db2.gz AIZMZDXRMGAZLC-HJWRWDBZSA-N -1 0 365.385 4.129 50 0 FIAARM O=C([O-])/C(=C/c1ccc(F)cc1)Sc1nnc(-c2ccc(F)cc2)o1 ZINC000033405235 211603994 /nfs/dbraw/zinc/60/39/94/211603994.db2.gz IZVNRFIIUWDWTF-ZROIWOOFSA-N -1 0 360.341 4.233 50 0 FIAARM O=C([O-])c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 ZINC000022145324 211340869 /nfs/dbraw/zinc/34/08/69/211340869.db2.gz GRJMSGVAHFGMNY-UHFFFAOYSA-N -1 0 364.245 4.097 50 0 FIAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccccn1 ZINC000017072951 211175366 /nfs/dbraw/zinc/17/53/66/211175366.db2.gz JZVVEUIFJSMJHV-UHFFFAOYSA-N -1 0 351.456 4.231 50 0 FIAARM O=S(=O)([N-]c1ccc(SCc2cccnc2)cc1)c1cccs1 ZINC000014706689 211098282 /nfs/dbraw/zinc/09/82/82/211098282.db2.gz DMQIMNSQNZVGRE-UHFFFAOYSA-N -1 0 362.501 4.236 50 0 FIAARM O=C([O-])[C@@H](CC1CCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632633 211096718 /nfs/dbraw/zinc/09/67/18/211096718.db2.gz FOJRBUNCWCPLNH-HXUWFJFHSA-N -1 0 365.429 4.169 50 0 FIAARM CCn1c2ccc(C(=O)[O-])cc2nc1/C(Cl)=C/c1ccc(OC)c(O)c1 ZINC000013039601 211023092 /nfs/dbraw/zinc/02/30/92/211023092.db2.gz BDZMAWHCXJAPGC-JYRVWZFOSA-N -1 0 372.808 4.206 50 0 FIAARM CSc1ccc(Cl)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c1 ZINC000013178878 211026829 /nfs/dbraw/zinc/02/68/29/211026829.db2.gz PMLDZRNKGPRGMI-MRXNPFEDSA-N -1 0 363.866 4.316 50 0 FIAARM COc1ccccc1[C@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1C1CCCC1 ZINC000003883405 210497241 /nfs/dbraw/zinc/49/72/41/210497241.db2.gz IAWYODOZPPLOTK-UXHICEINSA-N -1 0 365.429 4.003 50 0 FIAARM Cc1cc(C)c2nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 ZINC000002431464 210398333 /nfs/dbraw/zinc/39/83/33/210398333.db2.gz CHYOYVRKCHRMQM-UHFFFAOYSA-N -1 0 361.449 4.244 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])n2)s1 ZINC000002486617 210401077 /nfs/dbraw/zinc/40/10/77/210401077.db2.gz QUFLODYTHHJZSB-QWRGUYRKSA-N -1 0 350.465 4.010 50 0 FIAARM Cc1cccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002095503 210379599 /nfs/dbraw/zinc/37/95/99/210379599.db2.gz MLBLCHZEWMIPLB-UHFFFAOYSA-N -1 0 366.413 4.314 50 0 biogenic FIAARM Cc1ccc(NC(=O)c2cnc([N-]c3nc4ccccc4o3)nc2C)cc1 ZINC000001839821 210373286 /nfs/dbraw/zinc/37/32/86/210373286.db2.gz SWWMBUDAIQZTTE-UHFFFAOYSA-N -1 0 359.389 4.231 50 0 FIAARM O=C([O-])C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000001433161 210353355 /nfs/dbraw/zinc/35/33/55/210353355.db2.gz JFQZUENRKJILBT-HNNXBMFYSA-N -1 0 365.429 4.122 50 0 FIAARM O=C([O-])CC1(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CCCC1 ZINC000001424527 210351576 /nfs/dbraw/zinc/35/15/76/210351576.db2.gz BPKGDJAOSNWZPG-UHFFFAOYSA-N -1 0 365.429 4.281 50 0 FIAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)NC(=O)c1cccc2ccccc21 ZINC000001128955 210320610 /nfs/dbraw/zinc/32/06/10/210320610.db2.gz QXQBGSJWUKUSAL-LDADJPATSA-N -1 0 351.789 4.349 50 0 FIAARM COc1cccc(-c2nnc(SCc3cc(C(=O)[O-])ccc3C)o2)c1 ZINC000001067256 210312212 /nfs/dbraw/zinc/31/22/12/210312212.db2.gz ZPFMNKFLNBVUJL-UHFFFAOYSA-N -1 0 356.403 4.044 50 0 FIAARM CC(C)(C)c1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)n[nH]2)cc1 ZINC000001037323 210304250 /nfs/dbraw/zinc/30/42/50/210304250.db2.gz ZQAJZUFFEIASAM-UHFFFAOYSA-N -1 0 355.463 4.175 50 0 FIAARM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1cccc2cccnc21 ZINC000000856526 210281934 /nfs/dbraw/zinc/28/19/34/210281934.db2.gz MBXYXDGAGAZCBH-UHFFFAOYSA-N -1 0 366.414 4.350 50 0 FIAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc21 ZINC000000803257 210272921 /nfs/dbraw/zinc/27/29/21/210272921.db2.gz RAEGRZPQCSGOGU-UHFFFAOYSA-N -1 0 361.184 4.492 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(F)c(C)c2)s1 ZINC000065183537 221175744 /nfs/dbraw/zinc/17/57/44/221175744.db2.gz UZCDYQKYKIYVOR-UHFFFAOYSA-N -1 0 367.471 4.076 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc21 ZINC000065242329 221185781 /nfs/dbraw/zinc/18/57/81/221185781.db2.gz JOTVEBBVYIJADR-UHFFFAOYSA-N -1 0 363.870 4.291 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1C ZINC000065242292 221185637 /nfs/dbraw/zinc/18/56/37/221185637.db2.gz LTSOLIYNCXMENA-UHFFFAOYSA-N -1 0 357.479 4.110 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c1 ZINC000065112533 221169475 /nfs/dbraw/zinc/16/94/75/221169475.db2.gz GKGLHJKHZNUQNH-UHFFFAOYSA-N -1 0 361.492 4.302 50 0 FIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2C(F)(F)F ZINC000066089626 221240637 /nfs/dbraw/zinc/24/06/37/221240637.db2.gz XSJJXJMODYQWRP-MRVPVSSYSA-N -1 0 359.300 4.241 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000064588859 136133279 /nfs/dbraw/zinc/13/32/79/136133279.db2.gz LZANUGVJCYOXKE-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1 ZINC000064820294 136133890 /nfs/dbraw/zinc/13/38/90/136133890.db2.gz XFZUJTUPLZLXOK-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000095528934 221955132 /nfs/dbraw/zinc/95/51/32/221955132.db2.gz VQOQMELIYSXZNT-SFHVURJKSA-N -1 0 363.413 4.264 50 0 FIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000096300006 222113634 /nfs/dbraw/zinc/11/36/34/222113634.db2.gz AMXMPSMSXZFASY-SFHVURJKSA-N -1 0 354.413 4.298 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000096323613 222115114 /nfs/dbraw/zinc/11/51/14/222115114.db2.gz MCUHUXKCYZPIDT-UHFFFAOYSA-N -1 0 372.830 4.305 50 0 FIAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)(C)C)c2=O)c1 ZINC000100705040 222250546 /nfs/dbraw/zinc/25/05/46/222250546.db2.gz CSCZREOQBHGLJM-UHFFFAOYSA-N -1 0 364.445 4.314 50 0 FIAARM CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000011613716 570483492 /nfs/dbraw/zinc/48/34/92/570483492.db2.gz QULMCBZEBHZKFV-UHFFFAOYSA-N -1 0 353.871 4.465 50 0 FIAARM CC(=O)Oc1cc2c(cc1Br)oc(C(C)(C)C)c2C(=O)[O-] ZINC000004834248 570524679 /nfs/dbraw/zinc/52/46/79/570524679.db2.gz GWHHAUAULODVKS-UHFFFAOYSA-N -1 0 355.184 4.116 50 0 FIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O ZINC000002589588 570525960 /nfs/dbraw/zinc/52/59/60/570525960.db2.gz UQRNAIFCARDDOL-UHFFFAOYSA-N -1 0 364.445 4.458 50 0 FIAARM CCc1ccccc1NC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920682 570560895 /nfs/dbraw/zinc/56/08/95/570560895.db2.gz NNCDXHHZQXBSPI-UHFFFAOYSA-N -1 0 356.809 4.263 50 0 FIAARM Cc1cc(OCc2ccc(C(=O)[O-])cc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004027944 570573145 /nfs/dbraw/zinc/57/31/45/570573145.db2.gz DIQWHKHXYFHASL-UHFFFAOYSA-N -1 0 364.397 4.257 50 0 biogenic FIAARM CCCSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000005081232 570582856 /nfs/dbraw/zinc/58/28/56/570582856.db2.gz JVECLBMZXNQKAU-UHFFFAOYSA-N -1 0 352.459 4.158 50 0 FIAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004299352 570584005 /nfs/dbraw/zinc/58/40/05/570584005.db2.gz VEPWKGKYLLYDDI-UHFFFAOYSA-N -1 0 369.295 4.181 50 0 FIAARM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000003362571 570660357 /nfs/dbraw/zinc/66/03/57/570660357.db2.gz JNFNVGACTRPCEX-XSFVSMFZSA-N -1 0 369.376 4.396 50 0 FIAARM Cc1ccc(C(C)C)c(Oc2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)c1 ZINC000007881361 570674707 /nfs/dbraw/zinc/67/47/07/570674707.db2.gz AELIEVTZHBOVCP-OAHLLOKOSA-N -1 0 353.418 4.348 50 0 FIAARM COc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000008864682 570686291 /nfs/dbraw/zinc/68/62/91/570686291.db2.gz GPLBFSUMEMIPQX-UHFFFAOYSA-N -1 0 368.867 4.068 50 0 FIAARM O=S(=O)(C=C([O-])c1ccc([C@H]2CC2(Cl)Cl)cc1)c1ccccc1 ZINC000009614863 570696069 /nfs/dbraw/zinc/69/60/69/570696069.db2.gz STLLSCLUBHZGGU-OAHLLOKOSA-N -1 0 369.269 4.004 50 0 FIAARM Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCCC(=O)[O-] ZINC000012409546 570742971 /nfs/dbraw/zinc/74/29/71/570742971.db2.gz XPSJRDXWFLTRTN-UHFFFAOYSA-N -1 0 373.261 4.020 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@H]1c1nnc(CSc2ccc(Cl)cc2)o1 ZINC000032937980 570878792 /nfs/dbraw/zinc/87/87/92/570878792.db2.gz YTOYVXIOHPTPQD-OLZOCXBDSA-N -1 0 350.827 4.150 50 0 FIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cc(-c2ccno2)cs1 ZINC000044902235 570902439 /nfs/dbraw/zinc/90/24/39/570902439.db2.gz HISBPTWWZQKPLT-UHFFFAOYSA-N -1 0 374.365 4.223 50 0 FIAARM Cc1ccc(Cl)cc1Nc1nnc(Cc2ccccc2Cl)c(=O)[n-]1 ZINC000008558373 571050056 /nfs/dbraw/zinc/05/00/56/571050056.db2.gz MRZGRKIFACFOOQ-UHFFFAOYSA-N -1 0 361.232 4.115 50 0 FIAARM CC(C)Cn1c2ccccc2nc1SCc1nc(=O)c2sccc2[n-]1 ZINC000008566829 571050580 /nfs/dbraw/zinc/05/05/80/571050580.db2.gz LGVZUUOYUPYVRI-UHFFFAOYSA-N -1 0 370.503 4.283 50 0 FIAARM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc3c(c2)CCC3)C(F)(F)F)cc1 ZINC000040155824 571087311 /nfs/dbraw/zinc/08/73/11/571087311.db2.gz JFNBLEDINWBHGP-QGZVFWFLSA-N -1 0 369.408 4.066 50 0 FIAARM CCc1c(C)nc2c(-c3ccccc3)c(COc3ccccc3)[n-]n2c1=O ZINC000008995973 571090477 /nfs/dbraw/zinc/09/04/77/571090477.db2.gz RDUJHDMVQAPQHH-UHFFFAOYSA-N -1 0 359.429 4.139 50 0 FIAARM CC[C@@H](C)[C@H](NC(=O)c1sc(-c2ccccc2Cl)nc1C)C(=O)[O-] ZINC000040286504 571093547 /nfs/dbraw/zinc/09/35/47/571093547.db2.gz XYMSZCDQECKGPX-RNCFNFMXSA-N -1 0 366.870 4.001 50 0 FIAARM Cc1ccccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416035 571096923 /nfs/dbraw/zinc/09/69/23/571096923.db2.gz AOPMFCZVEZIXQM-UHFFFAOYSA-N -1 0 370.408 4.257 50 0 FIAARM C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)[O-] ZINC000012779975 571097908 /nfs/dbraw/zinc/09/79/08/571097908.db2.gz VVTLBXCDYVXDMO-CJNGLKHVSA-N -1 0 373.499 4.073 50 0 FIAARM COC(=O)c1c(SCc2cc(C)ccc2C)[n-]c2ccccc2c1=O ZINC000009300302 571103390 /nfs/dbraw/zinc/10/33/90/571103390.db2.gz PMZSBSBCKKXEFQ-UHFFFAOYSA-N -1 0 353.443 4.224 50 0 FIAARM CCCCOc1ccc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2c1 ZINC000041091712 571107305 /nfs/dbraw/zinc/10/73/05/571107305.db2.gz PLIRCDHMQBFBDK-UHFFFAOYSA-N -1 0 356.447 4.215 50 0 FIAARM CCCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000006075918 571117238 /nfs/dbraw/zinc/11/72/38/571117238.db2.gz DWSJFVFGBKEDSZ-UHFFFAOYSA-N -1 0 366.490 4.367 50 0 FIAARM O=C(Nc1nc[nH]n1)c1oc2ccccc2c1CSc1cccs1 ZINC000058208673 571128818 /nfs/dbraw/zinc/12/88/18/571128818.db2.gz PSVQVYKUWKTTFL-UHFFFAOYSA-N -1 0 356.432 4.157 50 0 FIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414254 571158997 /nfs/dbraw/zinc/15/89/97/571158997.db2.gz CIOGESZQRDWKBA-UHFFFAOYSA-N -1 0 362.838 4.006 50 0 FIAARM COc1ccc(OC)c(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000006274987 571169578 /nfs/dbraw/zinc/16/95/78/571169578.db2.gz NEBYJBFRHVAACI-LSDHHAIUSA-N -1 0 353.447 4.218 50 0 FIAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006315686 571177300 /nfs/dbraw/zinc/17/73/00/571177300.db2.gz PZOCMFBGKHXWOR-UHFFFAOYSA-N -1 0 360.660 4.212 50 0 FIAARM CSc1cccc([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)c1 ZINC000003348277 571181238 /nfs/dbraw/zinc/18/12/38/571181238.db2.gz VZPVBZSATLQXIL-UHFFFAOYSA-N -1 0 367.801 4.280 50 0 FIAARM Cc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626821 571186234 /nfs/dbraw/zinc/18/62/34/571186234.db2.gz HXCFIEWDRGQDTR-IBGZPJMESA-N -1 0 369.461 4.004 50 0 FIAARM Cc1cc(=O)c(C(=O)[O-])c(CC2CCCCC2)n1CCc1ccccc1 ZINC000072446973 571196996 /nfs/dbraw/zinc/19/69/96/571196996.db2.gz OTUCREGZARVHTL-UHFFFAOYSA-N -1 0 353.462 4.220 50 0 FIAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004050 571250164 /nfs/dbraw/zinc/25/01/64/571250164.db2.gz XSPKISGSFIVMOV-UHFFFAOYSA-N -1 0 364.423 4.220 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)on1 ZINC000007005539 571256828 /nfs/dbraw/zinc/25/68/28/571256828.db2.gz OMVUQOZNEPSADO-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2F)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615693 571257655 /nfs/dbraw/zinc/25/76/55/571257655.db2.gz ULIWACCPWPPAAU-UHFFFAOYSA-N -1 0 351.312 4.040 50 0 FIAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)Nc1cccc(Cl)c1 ZINC000002971411 571343111 /nfs/dbraw/zinc/34/31/11/571343111.db2.gz AHZLQJPQRALQOG-UHFFFAOYSA-N -1 0 373.865 4.131 50 0 FIAARM Cc1c(OCc2ccc(C(=O)[O-])cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000004077383 571354844 /nfs/dbraw/zinc/35/48/44/571354844.db2.gz TVLAHHWDBGYVKF-UHFFFAOYSA-N -1 0 364.397 4.257 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000004124276 571355872 /nfs/dbraw/zinc/35/58/72/571355872.db2.gz BHUNQJMULPCDTQ-DTWKUNHWSA-N -1 0 370.883 4.355 50 0 FIAARM COc1ccc(-c2nnc([N-]c3nc4ccc(OC)cc4s3)o2)cc1 ZINC000004137755 571355997 /nfs/dbraw/zinc/35/59/97/571355997.db2.gz GQIOGLSHEGFMHD-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccncc3)C2)c(=O)o1 ZINC000022018183 1081063234 /nfs/dbraw/zinc/06/32/34/1081063234.db2.gz VNUINNZDRWNOEU-SFHVURJKSA-N -1 0 364.426 4.407 50 0 FIAARM Cc1ccc(NNC(=O)c2cc(F)cc(Br)c2[O-])cc1Cl ZINC000170606232 1081933118 /nfs/dbraw/zinc/93/31/18/1081933118.db2.gz WEAORCJLUZFQBG-UHFFFAOYSA-N -1 0 373.609 4.013 50 0 FIAARM COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(C(=O)[O-])cc1)c2=O ZINC000004834233 1086096928 /nfs/dbraw/zinc/09/69/28/1086096928.db2.gz LZBWNXFOLJEPQV-UHFFFAOYSA-N -1 0 364.275 4.186 50 0 FIAARM COC(=O)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000033860906 1123262739 /nfs/dbraw/zinc/26/27/39/1123262739.db2.gz HMPQDKFMNIOTIO-UVTDQMKNSA-N -1 0 353.399 4.098 50 0 FIAARM O=C([O-])c1cccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc21 ZINC000000624987 210252268 /nfs/dbraw/zinc/25/22/68/210252268.db2.gz BQTUDZDKZDHHBI-UHFFFAOYSA-N -1 0 358.353 4.073 50 0 FIAARM CC1(C)Cc2nc3sc4c([n-]c(-c5ccccc5)nc4=O)c3cc2CO1 ZINC000009168992 210250898 /nfs/dbraw/zinc/25/08/98/210250898.db2.gz CAJBWTGTRDQTME-UHFFFAOYSA-N -1 0 363.442 4.051 50 0 FIAARM Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000005783275 210230966 /nfs/dbraw/zinc/23/09/66/210230966.db2.gz YABKWSWWULJVQN-UHFFFAOYSA-N -1 0 353.765 4.341 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1-c1ccno1 ZINC000064844996 212046881 /nfs/dbraw/zinc/04/68/81/212046881.db2.gz DHSHJYOFSOYTTL-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)C(C)C)c(C(=O)[O-])c3)C2)c1 ZINC000064588890 212040272 /nfs/dbraw/zinc/04/02/72/212040272.db2.gz USUONNKWYSZMFJ-KRWDZBQOSA-N -1 0 366.461 4.282 50 0 FIAARM O=C([O-])c1ccc(C(=O)CSc2ccccc2Br)cc1 ZINC000028527124 211492472 /nfs/dbraw/zinc/49/24/72/211492472.db2.gz LVAPJRNFPUUBRA-UHFFFAOYSA-N -1 0 351.221 4.122 50 0 FIAARM CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)[O-])c3n2)cc1 ZINC000020604465 211289571 /nfs/dbraw/zinc/28/95/71/211289571.db2.gz BHKQRWYTFHIURO-UHFFFAOYSA-N -1 0 363.339 4.073 50 0 FIAARM O=C([O-])c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000016677903 211166679 /nfs/dbraw/zinc/16/66/79/211166679.db2.gz UQQHMXJCLHSYRV-UHFFFAOYSA-N -1 0 354.409 4.422 50 0 FIAARM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC000014632735 211096104 /nfs/dbraw/zinc/09/61/04/211096104.db2.gz OAXAUWNQTDFALZ-UHFFFAOYSA-N -1 0 365.429 4.170 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/c1ccc(C(=O)[O-])cn1 ZINC000014184481 211082004 /nfs/dbraw/zinc/08/20/04/211082004.db2.gz AYGDWSNJWRASBV-RMKNXTFCSA-N -1 0 357.772 4.237 50 0 FIAARM CSc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)c1 ZINC000013178875 211026362 /nfs/dbraw/zinc/02/63/62/211026362.db2.gz PMLDZRNKGPRGMI-INIZCTEOSA-N -1 0 363.866 4.316 50 0 FIAARM S=c1[n-]nc(-c2cncc(Br)c2)n1-c1ccccc1Cl ZINC000012324839 210944002 /nfs/dbraw/zinc/94/40/02/210944002.db2.gz JOOQVSICJWEJSN-UHFFFAOYSA-N -1 0 367.659 4.408 50 0 FIAARM CC(C)CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000012382380 210949779 /nfs/dbraw/zinc/94/97/79/210949779.db2.gz SYUDIZFSTBEDJF-UHFFFAOYSA-N -1 0 366.486 4.404 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)c1C ZINC000009686641 210847252 /nfs/dbraw/zinc/84/72/52/210847252.db2.gz NPMAOFPGXJUECK-UHFFFAOYSA-N -1 0 367.883 4.209 50 0 FIAARM O=C([O-])CCC(=O)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000005029612 210592132 /nfs/dbraw/zinc/59/21/32/210592132.db2.gz MSSMWNOEOKZNHU-UHFFFAOYSA-N -1 0 359.385 4.186 50 0 FIAARM CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(C)c1 ZINC000004920526 210580013 /nfs/dbraw/zinc/58/00/13/210580013.db2.gz ABYHLFMUTPNWCX-UHFFFAOYSA-N -1 0 370.836 4.424 50 0 FIAARM COc1ccccc1[C@@H]1[C@@H](C(=O)[O-])c2ccccc2C(=O)N1C1CCCC1 ZINC000003883406 210497528 /nfs/dbraw/zinc/49/75/28/210497528.db2.gz IAWYODOZPPLOTK-VQTJNVASSA-N -1 0 365.429 4.003 50 0 FIAARM O=S(=O)([N-]c1nc2ccccc2s1)c1cc(Cl)ccc1Cl ZINC000002363478 210393352 /nfs/dbraw/zinc/39/33/52/210393352.db2.gz DYUIWSCVMYBRRT-UHFFFAOYSA-N -1 0 359.259 4.404 50 0 FIAARM O=C([O-])[C@H]1CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002392131 210395666 /nfs/dbraw/zinc/39/56/66/210395666.db2.gz JSVAQZVOHKGTJY-GJZGRUSLSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1c(OCc2ccccc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002150227 210382172 /nfs/dbraw/zinc/38/21/72/210382172.db2.gz NATYKOYUMSKHQE-UHFFFAOYSA-N -1 0 352.386 4.006 50 0 biogenic FIAARM O=C([O-])Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000001400600 210349821 /nfs/dbraw/zinc/34/98/21/210349821.db2.gz WEQCGUNOIZXTOQ-UHFFFAOYSA-N -1 0 354.715 4.325 50 0 FIAARM CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001202219 210333756 /nfs/dbraw/zinc/33/37/56/210333756.db2.gz GZZDPQFSLBIZLI-ORAYPTAESA-N -1 0 358.463 4.276 50 0 FIAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000000849549 210280612 /nfs/dbraw/zinc/28/06/12/210280612.db2.gz GANTZHPTKIUDDE-UHFFFAOYSA-N -1 0 364.195 4.045 50 0 FIAARM Cc1cc(C)cc(-n2ccnc2SCc2nc(=O)c3sccc3[n-]2)c1 ZINC000022115057 220377267 /nfs/dbraw/zinc/37/72/67/220377267.db2.gz YHBQAWLYMWWJRZ-UHFFFAOYSA-N -1 0 368.487 4.079 50 0 FIAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccno2)s1 ZINC000065031150 221164593 /nfs/dbraw/zinc/16/45/93/221164593.db2.gz WGPNHENWVPWKST-UHFFFAOYSA-N -1 0 374.365 4.223 50 0 FIAARM Cc1ccsc1-c1nnc(SCC(=O)[O-])n1[C@H](C)c1ccccc1 ZINC000067654492 221267122 /nfs/dbraw/zinc/26/71/22/221267122.db2.gz LIWLNERGRUTSGG-GFCCVEGCSA-N -1 0 359.476 4.101 50 0 FIAARM O=C(NCc1cccnc1Oc1ccccc1F)c1ccc([O-])c(Cl)c1 ZINC000067981677 221311582 /nfs/dbraw/zinc/31/15/82/221311582.db2.gz NPNKGKVJQHFWND-UHFFFAOYSA-N -1 0 372.783 4.302 50 0 FIAARM CC(C)c1ccc(N2CCC(Cc3ccc(Cl)cc3)(C(=O)[O-])CC2)nn1 ZINC000067921608 221305278 /nfs/dbraw/zinc/30/52/78/221305278.db2.gz APHNQVPCAVRDLT-UHFFFAOYSA-N -1 0 373.884 4.167 50 0 FIAARM O=C([O-])c1ccc2c3c1cccc3C(=O)N(c1cccc3ccccc31)C2=O ZINC000000834482 132378904 /nfs/dbraw/zinc/37/89/04/132378904.db2.gz IKTBREVPKAFFFM-UHFFFAOYSA-N -1 0 367.360 4.492 50 0 FIAARM C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)[O-] ZINC000009435155 132846508 /nfs/dbraw/zinc/84/65/08/132846508.db2.gz CUEHZWIHVOULOR-CRAIPNDOSA-N -1 0 352.434 4.220 50 0 FIAARM O=C([O-])[C@@]1(CCc2ccccc2)CCCN(c2nccc3occc32)C1 ZINC000071707749 136139668 /nfs/dbraw/zinc/13/96/68/136139668.db2.gz AQKSCLQAHBPEBM-OAQYLSRUSA-N -1 0 350.418 4.132 50 0 FIAARM O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21 ZINC000100232452 222239315 /nfs/dbraw/zinc/23/93/15/222239315.db2.gz VOEYZLGQTVUCPN-UHFFFAOYSA-N -1 0 355.319 4.375 50 0 FIAARM CC(C)(C)c1ccc(N2C[C@@H](COc3ccc(C(=O)[O-])cc3)CC2=O)cc1 ZINC000004391799 263332915 /nfs/dbraw/zinc/33/29/15/263332915.db2.gz YZADMDZNVOBYGR-HNNXBMFYSA-N -1 0 367.445 4.114 50 0 FIAARM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238900761 526568438 /nfs/dbraw/zinc/56/84/38/526568438.db2.gz JTUVEVPYLWRGKY-KOMQPUFPSA-N -1 0 372.490 4.048 50 0 FIAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 ZINC000089827795 527576162 /nfs/dbraw/zinc/57/61/62/527576162.db2.gz WTQDIKVSDWSHPI-SFHVURJKSA-N -1 0 370.836 4.273 50 0 FIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000214077657 567991397 /nfs/dbraw/zinc/99/13/97/567991397.db2.gz FWVOFPWAYXPPKF-UHFFFAOYSA-N -1 0 362.838 4.006 50 0 FIAARM O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)c(F)c1 ZINC000095067878 570451314 /nfs/dbraw/zinc/45/13/14/570451314.db2.gz CFRDFHXZYPHVMR-UHFFFAOYSA-N -1 0 364.623 4.042 50 0 FIAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1OC ZINC000003884668 570570117 /nfs/dbraw/zinc/57/01/17/570570117.db2.gz GXGTZVWKVFYSFS-UKTHLTGXSA-N -1 0 355.415 4.329 50 0 FIAARM COc1ccc(CCn2cc(-c3ccco3)c(C(=O)[O-])c2C)cc1OC ZINC000004237707 570581815 /nfs/dbraw/zinc/58/18/15/570581815.db2.gz SESPEGBFQGIENN-UHFFFAOYSA-N -1 0 355.390 4.015 50 0 FIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1cnn(-c2ccccc2)c1 ZINC000005650196 570632683 /nfs/dbraw/zinc/63/26/83/570632683.db2.gz LIRNOHXQFVXONV-UHFFFAOYSA-N -1 0 372.302 4.370 50 0 FIAARM Cc1ccc(-c2csc3[n-]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1 ZINC000006506472 570648213 /nfs/dbraw/zinc/64/82/13/570648213.db2.gz OOORYHQKUKLTLM-CYBMUJFWSA-N -1 0 358.488 4.275 50 0 FIAARM COCCn1c(=O)c2c(-c3ccccc3Cl)csc2[n-]c1=S ZINC000006506190 570648414 /nfs/dbraw/zinc/64/84/14/570648414.db2.gz LUBGTXBXGLOBJC-UHFFFAOYSA-N -1 0 352.868 4.087 50 0 FIAARM O=c1c2c3c(sc2[n-]c(=S)n1CCc1ccc(F)cc1)CCCC3 ZINC000006537381 570648884 /nfs/dbraw/zinc/64/88/84/570648884.db2.gz WULJBIFDNVMJRR-UHFFFAOYSA-N -1 0 360.479 4.381 50 0 FIAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Cl)s1 ZINC000002637600 570660747 /nfs/dbraw/zinc/66/07/47/570660747.db2.gz GAEZTINYYXIYEU-UHFFFAOYSA-N -1 0 370.652 4.104 50 0 FIAARM Cc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1Cl ZINC000008558318 570683345 /nfs/dbraw/zinc/68/33/45/570683345.db2.gz ILRNFXBYIYHXDD-UHFFFAOYSA-N -1 0 361.232 4.115 50 0 FIAARM Cc1cc(C(=O)[O-])n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000012394590 570741775 /nfs/dbraw/zinc/74/17/75/570741775.db2.gz SEDVNFJJUFUJPZ-UHFFFAOYSA-N -1 0 354.218 4.309 50 0 FIAARM CC[C@@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])c1ccccc1 ZINC000002849815 570768973 /nfs/dbraw/zinc/76/89/73/570768973.db2.gz FKEZNCCNZOJPEN-CYBMUJFWSA-N -1 0 362.223 4.280 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1c1nnc(CSc2ccc(Cl)cc2)o1 ZINC000032937974 570878908 /nfs/dbraw/zinc/87/89/08/570878908.db2.gz YTOYVXIOHPTPQD-QWHCGFSZSA-N -1 0 350.827 4.150 50 0 FIAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2c1ccsc1 ZINC000044901183 570902319 /nfs/dbraw/zinc/90/23/19/570902319.db2.gz NOJSYDMVQUAAKJ-ZDUSSCGKSA-N -1 0 356.378 4.500 50 0 FIAARM Cc1ccc(-c2nnc(SCCCOc3ccccc3)[n-]c2=O)cc1 ZINC000024754830 570981548 /nfs/dbraw/zinc/98/15/48/570981548.db2.gz SYJZGEMHWPXIPQ-UHFFFAOYSA-N -1 0 353.447 4.114 50 0 FIAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C ZINC000027823583 571022073 /nfs/dbraw/zinc/02/20/73/571022073.db2.gz DKOAMHRNUKBBCL-UHFFFAOYSA-N -1 0 368.886 4.413 50 0 FIAARM O=C(c1cnn2c(c1)c(-c1ccccc1)[nH]c2=S)c1cc(F)ccc1[O-] ZINC000008345953 571041883 /nfs/dbraw/zinc/04/18/83/571041883.db2.gz OXZOYIXTPXOIFQ-UHFFFAOYSA-N -1 0 365.389 4.135 50 0 FIAARM COc1ccc(-c2nc(-c3ccc(OC)c4c([O-])coc43)cs2)cc1 ZINC000225519966 571042815 /nfs/dbraw/zinc/04/28/15/571042815.db2.gz DTQKZGAYRSFVRY-UHFFFAOYSA-N -1 0 353.399 4.069 50 0 FIAARM O=C([O-])/C=C\C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000033363561 571064623 /nfs/dbraw/zinc/06/46/23/571064623.db2.gz UXSDKTQGIRAEJG-FPLPWBNLSA-N -1 0 352.173 4.365 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)c1C ZINC000009686724 571117046 /nfs/dbraw/zinc/11/70/46/571117046.db2.gz WKKRBXNUWNNGKH-UHFFFAOYSA-N -1 0 361.492 4.173 50 0 FIAARM O=S1(=O)[N-]C(SCc2cccc(C(F)(F)F)c2)=Nc2ccccc21 ZINC000009708798 571117498 /nfs/dbraw/zinc/11/74/98/571117498.db2.gz YWJJLZFXLNUNNB-UHFFFAOYSA-N -1 0 372.393 4.109 50 0 FIAARM Cc1noc(C)c1CCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000010031501 571122359 /nfs/dbraw/zinc/12/23/59/571122359.db2.gz MUBQTTTVIPYHLY-UHFFFAOYSA-N -1 0 370.430 4.289 50 0 FIAARM COc1ccc(-c2cc(C(=O)[O-])nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000072333497 571123100 /nfs/dbraw/zinc/12/31/00/571123100.db2.gz HLSXELDJNMQUEP-UHFFFAOYSA-N -1 0 359.385 4.103 50 0 FIAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000058183368 571127716 /nfs/dbraw/zinc/12/77/16/571127716.db2.gz KJRKHOVRNVEPDP-UHFFFAOYSA-N -1 0 365.320 4.094 50 0 FIAARM CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(C(=O)[O-])cc1 ZINC000254614730 571137203 /nfs/dbraw/zinc/13/72/03/571137203.db2.gz WRKKPQKKULXCOG-UHFFFAOYSA-N -1 0 354.431 4.176 50 0 FIAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147213 571137797 /nfs/dbraw/zinc/13/77/97/571137797.db2.gz SIJCPHYOQRJORU-UHFFFAOYSA-N -1 0 373.459 4.193 50 0 FIAARM O=C([O-])c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004689742 571161567 /nfs/dbraw/zinc/16/15/67/571161567.db2.gz NNOZRTOHSKZKDA-RIYZIHGNSA-N -1 0 359.790 4.279 50 0 FIAARM CC(C)Oc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1 ZINC000075352737 571161996 /nfs/dbraw/zinc/16/19/96/571161996.db2.gz RMAFZQYASQBNRS-UHFFFAOYSA-N -1 0 365.364 4.171 50 0 FIAARM Cc1ccc2[n-]cc(-c3nc(-c4ccc(OC(C)C)cc4)no3)c(=O)c2c1 ZINC000035592665 571182624 /nfs/dbraw/zinc/18/26/24/571182624.db2.gz GTLFKZQNLUOANE-UHFFFAOYSA-N -1 0 361.401 4.341 50 0 FIAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc(C3CCCC3)s1)C2 ZINC000072436091 571196571 /nfs/dbraw/zinc/19/65/71/571196571.db2.gz AOFVPJYKQSNOBD-UHFFFAOYSA-N -1 0 373.522 4.025 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1 ZINC000065004188 571250213 /nfs/dbraw/zinc/25/02/13/571250213.db2.gz BLOWRYLSPZCBQS-UHFFFAOYSA-N -1 0 360.460 4.390 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000006887672 571253190 /nfs/dbraw/zinc/25/31/90/571253190.db2.gz SYUQZKYJTZIMRS-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCCn1c2ccsc2c([O-])c(C(=O)Nc2cccc(Cl)c2)c1=O ZINC000065215485 571256704 /nfs/dbraw/zinc/25/67/04/571256704.db2.gz KJIBBDYUMUJPHK-UHFFFAOYSA-N -1 0 362.838 4.084 50 0 FIAARM O=C([N-]c1nnc(-c2ccccc2Cl)o1)c1cc(-c2ccccc2)on1 ZINC000036709469 571261527 /nfs/dbraw/zinc/26/15/27/571261527.db2.gz CQQRIJIZLOTQDG-UHFFFAOYSA-N -1 0 366.764 4.297 50 0 FIAARM Cc1ccc2nc(-c3ccc(NC(=O)CSCC(=O)[O-])cc3)sc2c1 ZINC000003236271 571345917 /nfs/dbraw/zinc/34/59/17/571345917.db2.gz MQQFJMVHDJKHLK-UHFFFAOYSA-N -1 0 372.471 4.028 50 0 FIAARM CCc1cc2c(cc1[O-])oc(C)c(-c1cc3c(cc1C)OCCO3)c2=O ZINC000004023791 571354054 /nfs/dbraw/zinc/35/40/54/571354054.db2.gz FGPAIVNASPBDJJ-UHFFFAOYSA-N -1 0 352.386 4.116 50 0 biogenic FIAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncnc2ccccc21 ZINC000008132329 571359337 /nfs/dbraw/zinc/35/93/37/571359337.db2.gz TZEWEMDKYQULII-UHFFFAOYSA-N -1 0 355.463 4.037 50 0 FIAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000639803 219307332 /nfs/dbraw/zinc/30/73/32/219307332.db2.gz NCIOQRPCGQWUJD-UHFFFAOYSA-N -1 0 366.689 4.273 50 0 FIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000715550 219316627 /nfs/dbraw/zinc/31/66/27/219316627.db2.gz PDCUCCMCCCOSFU-UHFFFAOYSA-N -1 0 356.765 4.254 50 0 FIAARM CCc1c(C)nc2ccc(Br)cc2c1SCCC(=O)[O-] ZINC000000883031 219336816 /nfs/dbraw/zinc/33/68/16/219336816.db2.gz DYAJWTFMGQUTQU-UHFFFAOYSA-N -1 0 354.269 4.435 50 0 FIAARM CCOc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)[O-])cc1 ZINC000001088593 219367349 /nfs/dbraw/zinc/36/73/49/219367349.db2.gz AOVBKLOZAUDWCY-UZLBHIALSA-N -1 0 369.461 4.220 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])n2)c(C)c1 ZINC000001117312 219372441 /nfs/dbraw/zinc/37/24/41/219372441.db2.gz GQRCXXOFLDABNH-LSDHHAIUSA-N -1 0 356.447 4.032 50 0 FIAARM CCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002387006 219440447 /nfs/dbraw/zinc/44/04/47/219440447.db2.gz VQAFHGLNHSVMSP-CQSZACIVSA-N -1 0 353.418 4.169 50 0 FIAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000002643406 219454351 /nfs/dbraw/zinc/45/43/51/219454351.db2.gz QVANIOJXPRVMJM-UHFFFAOYSA-N -1 0 355.406 4.072 50 0 FIAARM Cc1ccc(S(=O)(=O)c2nc([N-]c3nccs3)sc2Cl)cc1 ZINC000002691368 219456538 /nfs/dbraw/zinc/45/65/38/219456538.db2.gz ZLIRQUKNUPCUDB-UHFFFAOYSA-N -1 0 371.896 4.138 50 0 aggregator FIAARM O=C([O-])c1ccc(NC(=O)c2cccs2)c(NC(=O)c2cccs2)c1 ZINC000002899792 219474674 /nfs/dbraw/zinc/47/46/74/219474674.db2.gz SYWPEXRTDBIURQ-UHFFFAOYSA-N -1 0 372.427 4.012 50 0 FIAARM O=C([O-])CC1(CC(=O)NCc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000004389142 219573048 /nfs/dbraw/zinc/57/30/48/219573048.db2.gz UTFZTNNZWPWWFO-UHFFFAOYSA-N -1 0 357.372 4.137 50 0 FIAARM CCc1ccccc1N(C)C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920459 219624747 /nfs/dbraw/zinc/62/47/47/219624747.db2.gz FGUBWZQOPAJKBH-UHFFFAOYSA-N -1 0 370.836 4.287 50 0 FIAARM Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C(=O)[O-] ZINC000012394305 219988662 /nfs/dbraw/zinc/98/86/62/219988662.db2.gz WHLDXZNLIXOARA-ZETCQYMHSA-N -1 0 359.373 4.046 50 0 FIAARM C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012684421 220018087 /nfs/dbraw/zinc/01/80/87/220018087.db2.gz MPUARGRZAALPEA-JTQLQIEISA-N -1 0 356.476 4.200 50 0 FIAARM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000012766760 220027010 /nfs/dbraw/zinc/02/70/10/220027010.db2.gz OQYQSMBIMKWMTJ-UHFFFAOYSA-N -1 0 365.216 4.078 50 0 FIAARM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012813782 220033038 /nfs/dbraw/zinc/03/30/38/220033038.db2.gz NCXNKVJMWYAFDF-RUDMXATFSA-N -1 0 350.349 4.032 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000012825582 220034886 /nfs/dbraw/zinc/03/48/86/220034886.db2.gz OEQOJCNWZDKZHG-UHFFFAOYSA-N -1 0 367.426 4.161 50 0 FIAARM CSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)s1 ZINC000013569759 220074818 /nfs/dbraw/zinc/07/48/18/220074818.db2.gz DZMUUYCCHNSHQJ-UHFFFAOYSA-N -1 0 372.475 4.046 50 0 FIAARM O=C([O-])C/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000013640660 220080316 /nfs/dbraw/zinc/08/03/16/220080316.db2.gz JRLYJZRWIKEQPA-XFXZXTDPSA-N -1 0 357.207 4.341 50 0 FIAARM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C/c1ccc(C(=O)[O-])cn1 ZINC000014197286 220116253 /nfs/dbraw/zinc/11/62/53/220116253.db2.gz FMKUQKFFVYZIND-MDZDMXLPSA-N -1 0 367.836 4.465 50 0 FIAARM CSc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000016153964 220180279 /nfs/dbraw/zinc/18/02/79/220180279.db2.gz IYBQXESTQLBTLZ-UHFFFAOYSA-N -1 0 372.443 4.097 50 0 FIAARM COc1cc2c(cc1NC(=O)CC(C)(C)CC(=O)[O-])oc1ccccc12 ZINC000016481292 220185301 /nfs/dbraw/zinc/18/53/01/220185301.db2.gz BJKTZZARBSXLGI-UHFFFAOYSA-N -1 0 355.390 4.424 50 0 FIAARM CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\CCC(=O)[O-])c2c1 ZINC000019793152 220296436 /nfs/dbraw/zinc/29/64/36/220296436.db2.gz YWBSYEBJUWFTRO-RELWKKBWSA-N -1 0 351.402 4.046 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1C ZINC000020580670 220335376 /nfs/dbraw/zinc/33/53/76/220335376.db2.gz BUVOUTNDRAWEPV-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM O=c1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c[n-]c2ccccc21 ZINC000020723325 220339369 /nfs/dbraw/zinc/33/93/69/220339369.db2.gz BZELVXHTXZIKJM-UHFFFAOYSA-N -1 0 357.291 4.264 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)s2)on1 ZINC000020978424 220346023 /nfs/dbraw/zinc/34/60/23/220346023.db2.gz VODSISYYCYNFBH-UHFFFAOYSA-N -1 0 372.830 4.305 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(C)cc2)cc1 ZINC000064757494 221151001 /nfs/dbraw/zinc/15/10/01/221151001.db2.gz QUTDPYZMAJUSHA-UHFFFAOYSA-N -1 0 353.447 4.243 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(F)c(C)c2)cc1 ZINC000064757532 221151237 /nfs/dbraw/zinc/15/12/37/221151237.db2.gz FADANHCVLZDUGA-UHFFFAOYSA-N -1 0 371.437 4.382 50 0 FIAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064837438 221153779 /nfs/dbraw/zinc/15/37/79/221153779.db2.gz JDIHUMXFDCMUGV-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064947011 221156818 /nfs/dbraw/zinc/15/68/18/221156818.db2.gz DNVWGUIYZAUYNH-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2ccno2)s1 ZINC000065031055 221164644 /nfs/dbraw/zinc/16/46/44/221164644.db2.gz HWNHXUQKBJILBS-UHFFFAOYSA-N -1 0 374.365 4.223 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)c1C ZINC000065031369 221164981 /nfs/dbraw/zinc/16/49/81/221164981.db2.gz RUPRKJDYYCRZFD-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM CC(C)(C)OC(=O)N1CCC(c2n[n-]c(=S)n2-c2ccccc2)CC1 ZINC000066324398 221243894 /nfs/dbraw/zinc/24/38/94/221243894.db2.gz JITLFRZZXBFDTR-UHFFFAOYSA-N -1 0 360.483 4.044 50 0 FIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2C(F)(F)F ZINC000066089628 221240433 /nfs/dbraw/zinc/24/04/33/221240433.db2.gz XSJJXJMODYQWRP-QMMMGPOBSA-N -1 0 359.300 4.241 50 0 FIAARM CCOc1ccc(-c2ccnc(Cc3cccc(Cl)c3)n2)cc1C(=O)[O-] ZINC000071748479 221359444 /nfs/dbraw/zinc/35/94/44/221359444.db2.gz YMLAKLAFXUWWNW-UHFFFAOYSA-N -1 0 368.820 4.485 50 0 FIAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])C1 ZINC000046053436 136122026 /nfs/dbraw/zinc/12/20/26/136122026.db2.gz CONDURNKDQVQDG-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000046053343 136122029 /nfs/dbraw/zinc/12/20/29/136122029.db2.gz OPXXNSAXXFGGPP-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM CN(Cc1ccccc1N1CCCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000057369287 136128896 /nfs/dbraw/zinc/12/88/96/136128896.db2.gz KQWXQYYCOGCPSM-UHFFFAOYSA-N -1 0 368.506 4.019 50 0 FIAARM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1 ZINC000064820517 136133903 /nfs/dbraw/zinc/13/39/03/136133903.db2.gz IJVGWCVLHNQGBQ-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1[nH]nc2c1[C@H](c1ccc(-c3cccc(C(=O)[O-])c3)o1)SCC(=O)N2 ZINC000079485889 221692624 /nfs/dbraw/zinc/69/26/24/221692624.db2.gz HPWJDTSYFIKZFI-INIZCTEOSA-N -1 0 369.402 4.101 50 0 FIAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C)c2-c2ccccc2)C1 ZINC000092038140 221831892 /nfs/dbraw/zinc/83/18/92/221831892.db2.gz RDIPDZNCWLXZFD-FQEVSTJZSA-N -1 0 357.475 4.441 50 0 FIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2cccs2)cc1 ZINC000095480404 221920281 /nfs/dbraw/zinc/92/02/81/221920281.db2.gz QITNAUGMCYRLGY-OAHLLOKOSA-N -1 0 371.443 4.056 50 0 FIAARM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3cccc(Cl)c3)nc2c1 ZINC000096759344 222129107 /nfs/dbraw/zinc/12/91/07/222129107.db2.gz DJRCVUWKQCOFFS-NTUHNPAUSA-N -1 0 361.184 4.424 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2F)C1 ZINC000096767617 222130219 /nfs/dbraw/zinc/13/02/19/222130219.db2.gz JZOMAOCGTVZCFY-PTNGSMBKSA-N -1 0 362.404 4.448 50 0 FIAARM CCC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000096839044 222133401 /nfs/dbraw/zinc/13/34/01/222133401.db2.gz KTFMEQGAIAYJMN-IBGZPJMESA-N -1 0 367.445 4.415 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OC)cc2)C1 ZINC000097993212 222219348 /nfs/dbraw/zinc/21/93/48/222219348.db2.gz YHLGVKXJKWHQPU-VBKFSLOCSA-N -1 0 374.440 4.318 50 0 FIAARM CC(C)c1nc(/C=C\c2cnn(-c3ccc(Cl)cc3)c2)ncc1C(=O)[O-] ZINC000098055977 222223415 /nfs/dbraw/zinc/22/34/15/222223415.db2.gz XBNGBDNVQWDFSJ-BAQGIRSFSA-N -1 0 368.824 4.308 50 0 FIAARM C[C@H](Oc1cccc(C=C(Cl)c2nc3c(cccc3F)[nH]2)c1)C(=O)[O-] ZINC000098055766 222223971 /nfs/dbraw/zinc/22/39/71/222223971.db2.gz NYDKITJXJNYVNU-AVMBBCFPSA-N -1 0 360.772 4.291 50 0 FIAARM Cc1cc(C(=O)C=S([O-])c2cccc(C(F)(F)F)c2)cc(C)c1O ZINC000005361922 263340378 /nfs/dbraw/zinc/34/03/78/263340378.db2.gz BIBJQTCNUSDWAS-XMMPIXPASA-N -1 0 356.365 4.018 50 0 FIAARM CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020442842 263379970 /nfs/dbraw/zinc/37/99/70/263379970.db2.gz GFOFXQXMRNMTAV-KRWDZBQOSA-N -1 0 371.820 4.112 50 0 FIAARM CC(C)c1ccc(-c2nc(CC(=O)NCCCCCC(=O)[O-])cs2)cc1 ZINC000020721831 519833875 /nfs/dbraw/zinc/83/38/75/519833875.db2.gz DNLJNMMCFWXTDE-UHFFFAOYSA-N -1 0 374.506 4.237 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2c3ncn(C(C)C)c3cc(C)c2C)cc1 ZINC000001388513 570498427 /nfs/dbraw/zinc/49/84/27/570498427.db2.gz RNJFPNFNOUMQKL-UHFFFAOYSA-N -1 0 357.479 4.343 50 0 FIAARM Cc1cc2c(ncn2C(C)C)c([N-]S(=O)(=O)c2ccc(F)cc2)c1C ZINC000001388524 570498446 /nfs/dbraw/zinc/49/84/46/570498446.db2.gz LCHDCMVXUQXFPL-UHFFFAOYSA-N -1 0 361.442 4.174 50 0 FIAARM Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)cc1 ZINC000001515754 570501454 /nfs/dbraw/zinc/50/14/54/570501454.db2.gz IOBFTWRFQVOANY-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1C ZINC000004832053 570523891 /nfs/dbraw/zinc/52/38/91/570523891.db2.gz PRHJPHONSRNJPE-UHFFFAOYSA-N -1 0 354.225 4.078 50 0 FIAARM CC(C)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002387004 570520340 /nfs/dbraw/zinc/52/03/40/570520340.db2.gz KFDMTAMWOIQTOB-IBGZPJMESA-N -1 0 353.418 4.024 50 0 FIAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386930 570520514 /nfs/dbraw/zinc/52/05/14/570520514.db2.gz YLVSABQQLLRFIJ-HNNXBMFYSA-N -1 0 367.445 4.415 50 0 FIAARM COc1ccc2ccccc2c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221040106 570544745 /nfs/dbraw/zinc/54/47/45/570544745.db2.gz OFLBYJOSQVJXDN-YJBOKZPZSA-N -1 0 371.433 4.026 50 0 FIAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 ZINC000011916861 570602476 /nfs/dbraw/zinc/60/24/76/570602476.db2.gz WIZGXEDDHVIQIF-UHFFFAOYSA-N -1 0 364.427 4.005 50 0 FIAARM CC1=C(C)C[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000004903236 570612786 /nfs/dbraw/zinc/61/27/86/570612786.db2.gz GOKDECLRUVZGJO-STQMWFEESA-N -1 0 356.249 4.057 50 0 FIAARM O=C([N-][C@H](c1ccccc1)c1ccc(Br)cc1)C(F)(F)F ZINC000004996985 570617097 /nfs/dbraw/zinc/61/70/97/570617097.db2.gz BGTAFWPEHRQHHF-CYBMUJFWSA-N -1 0 358.157 4.217 50 0 FIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000007343550 570662792 /nfs/dbraw/zinc/66/27/92/570662792.db2.gz PRVDUDRXMKXLPB-UHFFFAOYSA-N -1 0 357.369 4.180 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000005601155 570680177 /nfs/dbraw/zinc/68/01/77/570680177.db2.gz UMICSKDLAZJQQS-CABCVRRESA-N -1 0 358.463 4.256 50 0 FIAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Cl)cc1Cl ZINC000008697868 570684859 /nfs/dbraw/zinc/68/48/59/570684859.db2.gz RBYBBGZNWRNJQD-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007052829 570789150 /nfs/dbraw/zinc/78/91/50/570789150.db2.gz BBXWIHXXIURBSI-UHFFFAOYSA-N -1 0 370.268 4.039 50 0 FIAARM CCc1ccc(-c2noc(-c3c([O-])c4ccccc4n(CC)c3=O)n2)cc1 ZINC000101681890 570822359 /nfs/dbraw/zinc/82/23/59/570822359.db2.gz BWYFMUPLBYTZMM-UHFFFAOYSA-N -1 0 361.401 4.006 50 0 FIAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N1 ZINC000004548848 570823412 /nfs/dbraw/zinc/82/34/12/570823412.db2.gz AHQVXIRYGVICJX-VQTJNVASSA-N -1 0 365.454 4.207 50 0 FIAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])n1 ZINC000005721344 570861879 /nfs/dbraw/zinc/86/18/79/570861879.db2.gz SCCRZMVZZYUUKD-RIYZIHGNSA-N -1 0 361.810 4.244 50 0 FIAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCCCCC1 ZINC000046053402 570921991 /nfs/dbraw/zinc/92/19/91/570921991.db2.gz SUZAHATYDGPRQT-UHFFFAOYSA-N -1 0 356.397 4.157 50 0 FIAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000601013342 570994067 /nfs/dbraw/zinc/99/40/67/570994067.db2.gz IUXAQXHMVAZGGR-MOPGFXCFSA-N -1 0 367.445 4.217 50 0 FIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1 ZINC000025759169 570999445 /nfs/dbraw/zinc/99/94/45/570999445.db2.gz SHRZMJHRBQEGBC-SFHVURJKSA-N -1 0 355.434 4.264 50 0 FIAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)cc1 ZINC000025762778 571000121 /nfs/dbraw/zinc/00/01/21/571000121.db2.gz WJWGBXOXSYAGKJ-UHFFFAOYSA-N -1 0 361.170 4.139 50 0 FIAARM O=C(N/C(=C\c1ccccc1)[P@](=O)([O-])c1ccccc1)c1ccccc1 ZINC000026687809 571007121 /nfs/dbraw/zinc/00/71/21/571007121.db2.gz BONKWPZSKJDBKZ-CAPFRKAQSA-N -1 0 363.353 4.011 50 0 FIAARM Cc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c2ccccc12 ZINC000225394386 571032885 /nfs/dbraw/zinc/03/28/85/571032885.db2.gz IGESNHMIBLRNAF-UHFFFAOYSA-N -1 0 361.492 4.098 50 0 FIAARM CCCc1cc(=O)n2[n-]c(COc3ccccc3)c(-c3ccccc3)c2n1 ZINC000008739709 571058678 /nfs/dbraw/zinc/05/86/78/571058678.db2.gz XPJQLWNEADULMX-UHFFFAOYSA-N -1 0 359.429 4.221 50 0 FIAARM Cc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000032918497 571060300 /nfs/dbraw/zinc/06/03/00/571060300.db2.gz UENNNEFJLPOFDX-UHFFFAOYSA-N -1 0 367.426 4.161 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccs2)CC(=O)N3)cc1 ZINC000040266270 571091974 /nfs/dbraw/zinc/09/19/74/571091974.db2.gz NDCSIXDFOQQFCZ-CYBMUJFWSA-N -1 0 368.414 4.369 50 0 FIAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2cccc3ccccc32)CC1 ZINC000044122496 571101476 /nfs/dbraw/zinc/10/14/76/571101476.db2.gz VJMTYCCYJDVUDN-UHFFFAOYSA-N -1 0 355.434 4.193 50 0 FIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 ZINC000004599943 571101832 /nfs/dbraw/zinc/10/18/32/571101832.db2.gz HVXXEISCNMUMFE-CXUHLZMHSA-N -1 0 371.414 4.398 50 0 FIAARM O=C([O-])c1occc1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685944825 571104603 /nfs/dbraw/zinc/10/46/03/571104603.db2.gz BAAOVPGNOVOIHZ-UHFFFAOYSA-N -1 0 363.369 4.017 50 0 FIAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n1 ZINC000009360274 571106184 /nfs/dbraw/zinc/10/61/84/571106184.db2.gz INSAVBKVMGKBDP-ZSOIEALJSA-N -1 0 361.810 4.244 50 0 FIAARM Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2C)ccc1F ZINC000048044447 571108062 /nfs/dbraw/zinc/10/80/62/571108062.db2.gz IWIZLSQDHOVRLF-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)s1 ZINC000075093592 571154457 /nfs/dbraw/zinc/15/44/57/571154457.db2.gz PUXTXLVMHVJXGB-UHFFFAOYSA-N -1 0 359.472 4.154 50 0 FIAARM O=C([O-])C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 ZINC000004685915 571160135 /nfs/dbraw/zinc/16/01/35/571160135.db2.gz RGSSCFRAYSLOJW-UTNBAMHJSA-N -1 0 361.869 4.188 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1 ZINC000012560763 571182609 /nfs/dbraw/zinc/18/26/09/571182609.db2.gz SZUWYGNRKATVEL-UHFFFAOYSA-N -1 0 351.642 4.151 50 0 FIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC000003623822 571186100 /nfs/dbraw/zinc/18/61/00/571186100.db2.gz AYDTVZATYCOWPA-FQEVSTJZSA-N -1 0 369.461 4.129 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)sc2C)c1 ZINC000075467619 571188258 /nfs/dbraw/zinc/18/82/58/571188258.db2.gz PQPQATHYXHKMKJ-UHFFFAOYSA-N -1 0 361.492 4.118 50 0 FIAARM Cc1ccc2oc(-c3ccc(Cl)cc3)c(O[C@H](C)C(=O)[O-])c(=O)c2c1 ZINC000001942124 571202768 /nfs/dbraw/zinc/20/27/68/571202768.db2.gz DGUBFLHVMPTWJI-LLVKDONJSA-N -1 0 358.777 4.274 50 0 FIAARM CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000004735827 571227276 /nfs/dbraw/zinc/22/72/76/571227276.db2.gz KPJGFFOMAYSYGL-UHFFFAOYSA-N -1 0 357.431 4.361 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)on1 ZINC000007005498 571256844 /nfs/dbraw/zinc/25/68/44/571256844.db2.gz YFSDGSJKERZDTE-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM Cc1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(O)c1 ZINC000065617185 571265602 /nfs/dbraw/zinc/26/56/02/571265602.db2.gz MLXKHJQZUQYTOO-UHFFFAOYSA-N -1 0 356.422 4.068 50 0 FIAARM COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253398156 571311995 /nfs/dbraw/zinc/31/19/95/571311995.db2.gz BZERRCYVNCNEDV-GOSISDBHSA-N -1 0 374.392 4.073 50 0 biogenic FIAARM CCO[N-]C(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC000095369485 571328965 /nfs/dbraw/zinc/32/89/65/571328965.db2.gz ZIRLNEZTSYHPQS-UHFFFAOYSA-N -1 0 364.232 4.078 50 0 FIAARM O=C([O-])c1ccc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)cc1 ZINC000003334932 571347697 /nfs/dbraw/zinc/34/76/97/571347697.db2.gz GMUAUUOUAAYXGG-UHFFFAOYSA-N -1 0 366.373 4.156 50 0 FIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000003348227 571348036 /nfs/dbraw/zinc/34/80/36/571348036.db2.gz XZZMENHZKKVAPS-UHFFFAOYSA-N -1 0 367.426 4.482 50 0 FIAARM COc1ccccc1Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000003458898 571350037 /nfs/dbraw/zinc/35/00/37/571350037.db2.gz AWAQTRXHNHNINI-UHFFFAOYSA-N -1 0 360.460 4.301 50 0 FIAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000004280253 571357665 /nfs/dbraw/zinc/35/76/65/571357665.db2.gz XGOUZDOOJSGOEM-UHFFFAOYSA-N -1 0 355.337 4.134 50 0 FIAARM CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000004906665 1079744071 /nfs/dbraw/zinc/74/40/71/1079744071.db2.gz FHFFZQVWNMAMDH-UHFFFAOYSA-N -1 0 354.189 4.343 50 0 FIAARM O=C([O-])C(=O)/C(=C/c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000089873115 1082530631 /nfs/dbraw/zinc/53/06/31/1082530631.db2.gz IFDYGTCEKJFLIB-RVDMUPIBSA-N -1 0 371.314 4.448 50 0 FIAARM Cc1nc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)ccc1C(=O)[O-] ZINC000263573778 1102265868 /nfs/dbraw/zinc/26/58/68/1102265868.db2.gz MVLZTNODHYBCGI-GOSISDBHSA-N -1 0 366.461 4.106 50 0 FIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCCO3)CC2 ZINC000033462748 1122536270 /nfs/dbraw/zinc/53/62/70/1122536270.db2.gz KOPMUJLOULOYAL-KAMYIIQDSA-N -1 0 359.381 4.191 50 0 FIAARM CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000080994 219304400 /nfs/dbraw/zinc/30/44/00/219304400.db2.gz MRJHMSHUTQHQTB-UHFFFAOYSA-N -1 0 350.374 4.162 50 0 FIAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000715548 219316403 /nfs/dbraw/zinc/31/64/03/219316403.db2.gz LCDPCNQPASWKNB-UHFFFAOYSA-N -1 0 356.765 4.254 50 0 FIAARM O=C([O-])c1c(C(=O)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000715615 219316619 /nfs/dbraw/zinc/31/66/19/219316619.db2.gz FSIVAVHHWKZIBR-UHFFFAOYSA-N -1 0 368.392 4.469 50 0 FIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1 ZINC000000710161 219316768 /nfs/dbraw/zinc/31/67/68/219316768.db2.gz CTWMOMKBYLJAHK-SFHVURJKSA-N -1 0 370.836 4.191 50 0 FIAARM Cc1cc2nc(S(=O)(=O)Cc3ccc(Cl)cc3Cl)[n-]c2cc1C ZINC000001080105 219366681 /nfs/dbraw/zinc/36/66/81/219366681.db2.gz GEZIPVSXZNWIAQ-UHFFFAOYSA-N -1 0 369.273 4.460 50 0 FIAARM O=C([O-])c1ccccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000001202511 219388282 /nfs/dbraw/zinc/38/82/82/219388282.db2.gz UEGHIZWZRZACMX-UHFFFAOYSA-N -1 0 353.418 4.450 50 0 FIAARM O=S(=O)([N-]c1cccc(-c2cnc3ccccc3n2)c1)c1cccs1 ZINC000001399318 219403697 /nfs/dbraw/zinc/40/36/97/219403697.db2.gz ZVEAXJMWGAWVFV-UHFFFAOYSA-N -1 0 367.455 4.159 50 0 FIAARM CCC(CC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002576802 219449416 /nfs/dbraw/zinc/44/94/16/219449416.db2.gz NUABWLRFIOIRJG-UHFFFAOYSA-N -1 0 353.418 4.169 50 0 FIAARM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004264220 219559565 /nfs/dbraw/zinc/55/95/65/219559565.db2.gz ZLKLJIPSAHOWBA-FQEVSTJZSA-N -1 0 364.445 4.182 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004700365 219598655 /nfs/dbraw/zinc/59/86/55/219598655.db2.gz SUHLNUCJAAQWEM-OALUTQOASA-N -1 0 353.418 4.095 50 0 FIAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC000004825392 219609698 /nfs/dbraw/zinc/60/96/98/219609698.db2.gz BVNQTSPGNFZXRB-SECBINFHSA-N -1 0 354.189 4.098 50 0 FIAARM C[C@@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC000012973955 220047098 /nfs/dbraw/zinc/04/70/98/220047098.db2.gz IYNLDKSEKNAFQJ-GFCCVEGCSA-N -1 0 355.415 4.101 50 0 FIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000013331873 220064865 /nfs/dbraw/zinc/06/48/65/220064865.db2.gz IYCZALGWXWVARX-NSHDSACASA-N -1 0 369.284 4.158 50 0 FIAARM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCCCC1 ZINC000013467346 220067897 /nfs/dbraw/zinc/06/78/97/220067897.db2.gz UXKDDZHWKBMQAY-UHFFFAOYSA-N -1 0 369.465 4.126 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)[O-])sc2c1 ZINC000015832857 220166843 /nfs/dbraw/zinc/16/68/43/220166843.db2.gz QQGLHHCKPRURCC-UHFFFAOYSA-N -1 0 358.444 4.034 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1cccc(Cl)c1 ZINC000016730458 220191831 /nfs/dbraw/zinc/19/18/31/220191831.db2.gz FEELVZABGNYMMN-UHFFFAOYSA-N -1 0 351.733 4.039 50 0 FIAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000020328312 220321865 /nfs/dbraw/zinc/32/18/65/220321865.db2.gz QYGAFIFTQDPWLY-UHFFFAOYSA-N -1 0 353.325 4.460 50 0 FIAARM Cc1cc(C)cc(OCC(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020144064 220316451 /nfs/dbraw/zinc/31/64/51/220316451.db2.gz TXBHGBNITXTYBT-UHFFFAOYSA-N -1 0 368.216 4.326 50 0 FIAARM COc1cc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC ZINC000020881257 220344795 /nfs/dbraw/zinc/34/47/95/220344795.db2.gz HUDAGGXJTSVYIX-UHFFFAOYSA-N -1 0 356.205 4.321 50 0 FIAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000021281993 220356371 /nfs/dbraw/zinc/35/63/71/220356371.db2.gz QJFVHQCRWYXILP-UHFFFAOYSA-N -1 0 366.855 4.211 50 0 FIAARM O=C([O-])c1ccc(CSc2nc(-c3ccc4c(c3)OCO4)cs2)o1 ZINC000026421257 220514017 /nfs/dbraw/zinc/51/40/17/220514017.db2.gz KHTJKBYMTRWMCX-UHFFFAOYSA-N -1 0 361.400 4.122 50 0 FIAARM Cc1cc(Br)c([O-])c(C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000048733915 221014904 /nfs/dbraw/zinc/01/49/04/221014904.db2.gz BUDAQDTWQHPSBQ-UHFFFAOYSA-N -1 0 353.241 4.049 50 0 FIAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 ZINC000049549089 221024593 /nfs/dbraw/zinc/02/45/93/221024593.db2.gz UYASMFDKXNQPSG-AWEZNQCLSA-N -1 0 368.389 4.122 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2cccc(C)c2)cc1 ZINC000064757489 221150658 /nfs/dbraw/zinc/15/06/58/221150658.db2.gz WMPKCRBEFGDXCP-UHFFFAOYSA-N -1 0 353.447 4.243 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1-c1ccno1 ZINC000064844951 221153469 /nfs/dbraw/zinc/15/34/69/221153469.db2.gz SQHDVHLSJFZBLD-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 ZINC000064845172 221153857 /nfs/dbraw/zinc/15/38/57/221153857.db2.gz WHHRAGOGEGEQRB-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(F)ccc2C)s1 ZINC000065183540 221175204 /nfs/dbraw/zinc/17/52/04/221175204.db2.gz OMGNDHNCDMCEDG-UHFFFAOYSA-N -1 0 367.471 4.076 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)c1C ZINC000065031214 221165208 /nfs/dbraw/zinc/16/52/08/221165208.db2.gz IEZFOVZWKJXQHU-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065060317 221166747 /nfs/dbraw/zinc/16/67/47/221166747.db2.gz IKJUUPMZCNXIGO-UHFFFAOYSA-N -1 0 374.487 4.318 50 0 FIAARM COc1ccc(-c2cc(C(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000065361976 221202484 /nfs/dbraw/zinc/20/24/84/221202484.db2.gz UGPSPBLFFWSPAY-UHFFFAOYSA-N -1 0 374.368 4.457 50 0 FIAARM Cc1ccsc1-c1nnc(SCC(=O)[O-])n1[C@@H](C)c1ccccc1 ZINC000067654491 221266305 /nfs/dbraw/zinc/26/63/05/221266305.db2.gz LIWLNERGRUTSGG-LBPRGKRZSA-N -1 0 359.476 4.101 50 0 FIAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@H]1c1cccs1 ZINC000069117138 221321502 /nfs/dbraw/zinc/32/15/02/221321502.db2.gz BQJGZGSWAFFAMP-ZDUSSCGKSA-N -1 0 357.460 4.037 50 0 FIAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414290 221504364 /nfs/dbraw/zinc/50/43/64/221504364.db2.gz IDZKTFZEQDMJLT-UHFFFAOYSA-N -1 0 362.838 4.088 50 0 FIAARM O=C([O-])c1cc(N2CCC[C@@H](C(=O)c3ccccc3)C2)nc2ccccc21 ZINC000095507626 132212785 /nfs/dbraw/zinc/21/27/85/132212785.db2.gz JYPHOPPERHHWAO-MRXNPFEDSA-N -1 0 360.413 4.032 50 0 FIAARM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccccc1SC(F)F ZINC000012794334 132306692 /nfs/dbraw/zinc/30/66/92/132306692.db2.gz NCUDHTPKHOSUPU-UHFFFAOYSA-N -1 0 363.385 4.293 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000046053347 136121983 /nfs/dbraw/zinc/12/19/83/136121983.db2.gz KELCLYFNMZTKAI-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588793 136133366 /nfs/dbraw/zinc/13/33/66/136133366.db2.gz MLPYZVJLIUXNNY-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588709 136133376 /nfs/dbraw/zinc/13/33/76/136133376.db2.gz VLTMUJHPEMBXHW-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM O=C([O-])c1cc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)ccc1F ZINC000072476215 221548992 /nfs/dbraw/zinc/54/89/92/221548992.db2.gz DVYOPXKYXAQJMU-UHFFFAOYSA-N -1 0 362.364 4.074 50 0 FIAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)s2)c1C ZINC000096323525 222115062 /nfs/dbraw/zinc/11/50/62/222115062.db2.gz IZBIMXPWAZAWPE-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1C ZINC000098072998 222225834 /nfs/dbraw/zinc/22/58/34/222225834.db2.gz WCWGMOXMGIAXJW-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2)c1=O ZINC000100498440 222245627 /nfs/dbraw/zinc/24/56/27/222245627.db2.gz SFCFEUYHJLJQDS-UHFFFAOYSA-N -1 0 350.418 4.068 50 0 FIAARM CCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100676574 222248861 /nfs/dbraw/zinc/24/88/61/222248861.db2.gz KBDWLJPTUPUORV-UHFFFAOYSA-N -1 0 356.809 4.023 50 0 FIAARM CCc1cc2c(nc(-c3ccccc3)nc2N2CCC(C(=O)[O-])CC2)s1 ZINC000041090379 536157956 /nfs/dbraw/zinc/15/79/56/536157956.db2.gz STFWBBCWPYUZNZ-UHFFFAOYSA-N -1 0 367.474 4.222 50 0 FIAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21 ZINC000004215181 560197418 /nfs/dbraw/zinc/19/74/18/560197418.db2.gz XZFRIPGNUQRGPI-WBQKLGIQSA-N -1 0 350.499 4.072 50 0 in-vitro FIAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc(C)c2-c2ccccc2)C1 ZINC000092038142 570445674 /nfs/dbraw/zinc/44/56/74/570445674.db2.gz RDIPDZNCWLXZFD-HXUWFJFHSA-N -1 0 357.475 4.441 50 0 FIAARM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H](c2ccccc2)O1 ZINC000072289352 570449398 /nfs/dbraw/zinc/44/93/98/570449398.db2.gz MKPJZKCXKKGNQF-YVEFUNNKSA-N -1 0 354.431 4.093 50 0 FIAARM Cc1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1C ZINC000095067967 570451209 /nfs/dbraw/zinc/45/12/09/570451209.db2.gz SVZNFLJPRFRMJA-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000011613724 570483438 /nfs/dbraw/zinc/48/34/38/570483438.db2.gz SQNIRDGMVCMBFT-UHFFFAOYSA-N -1 0 360.262 4.420 50 0 FIAARM Cc1ccc(Sc2ncccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001043471 570476023 /nfs/dbraw/zinc/47/60/23/570476023.db2.gz DGIKWFOTEFSRLR-UHFFFAOYSA-N -1 0 374.462 4.481 50 0 FIAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001158620 570485707 /nfs/dbraw/zinc/48/57/07/570485707.db2.gz UCRKYRQVLPYUMP-UHFFFAOYSA-N -1 0 370.474 4.118 50 0 FIAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002504850 570522778 /nfs/dbraw/zinc/52/27/78/570522778.db2.gz YLVSABQQLLRFIJ-OAHLLOKOSA-N -1 0 367.445 4.415 50 0 FIAARM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237526135 570564583 /nfs/dbraw/zinc/56/45/83/570564583.db2.gz RYDMYMOBSRRONH-KGLIPLIRSA-N -1 0 371.399 4.302 50 0 FIAARM O=C([O-])CC1(CC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000004980044 570570882 /nfs/dbraw/zinc/57/08/82/570570882.db2.gz MVAGRHHBFPXMCX-UHFFFAOYSA-N -1 0 354.244 4.203 50 0 FIAARM COc1ccccc1[C@@H]1[C@H](C(=O)[O-])c2ccccc2C(=O)N1C1CCCC1 ZINC000003883404 570570220 /nfs/dbraw/zinc/57/02/20/570570220.db2.gz IAWYODOZPPLOTK-WOJBJXKFSA-N -1 0 365.429 4.003 50 0 FIAARM CCCCC(=O)NC([N-]c1ccccc1OC)(C(F)(F)F)C(F)(F)F ZINC000003114451 570613880 /nfs/dbraw/zinc/61/38/80/570613880.db2.gz JCCYLJNSNPRXGN-UHFFFAOYSA-N -1 0 372.309 4.234 50 0 FIAARM CCOc1ccc(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005199497 570631882 /nfs/dbraw/zinc/63/18/82/570631882.db2.gz GKKSAIQPBBCBQK-CQSZACIVSA-N -1 0 361.825 4.011 50 0 FIAARM Cc1ccc(-c2nn(-c3cccc(C(=O)[O-])c3)c(=O)c3ccccc32)cc1 ZINC000002742439 570669173 /nfs/dbraw/zinc/66/91/73/570669173.db2.gz ONUZSPNBONYIRZ-UHFFFAOYSA-N -1 0 356.381 4.059 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002784942 570671242 /nfs/dbraw/zinc/67/12/42/570671242.db2.gz NTWRCTMRUKNTIS-LSDHHAIUSA-N -1 0 356.447 4.032 50 0 FIAARM Cc1ccc(C(C)C)c(OCC(=O)c2c([O-])c3ccccc3oc2=O)c1 ZINC000005578503 570677639 /nfs/dbraw/zinc/67/76/39/570677639.db2.gz QXXBLYPYEPFKFS-UHFFFAOYSA-N -1 0 352.386 4.192 50 0 FIAARM CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000008714683 570685274 /nfs/dbraw/zinc/68/52/74/570685274.db2.gz GCAQUUUJTLFFDO-UHFFFAOYSA-N -1 0 354.859 4.023 50 0 FIAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000011565861 570703569 /nfs/dbraw/zinc/70/35/69/570703569.db2.gz WJJCSWJDFPGMPT-UHFFFAOYSA-N -1 0 362.495 4.359 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccccc1C ZINC000011833718 570708904 /nfs/dbraw/zinc/70/89/04/570708904.db2.gz NAOSRAZMRNJGAC-UHFFFAOYSA-N -1 0 365.223 4.433 50 0 FIAARM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OC1CCCC1 ZINC000012394694 570741839 /nfs/dbraw/zinc/74/18/39/570741839.db2.gz PZEFNOLSYWMKMV-BQYQJAHWSA-N -1 0 355.228 4.267 50 0 FIAARM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000008906122 570796701 /nfs/dbraw/zinc/79/67/01/570796701.db2.gz AGOYTOAZFUPQRF-UHFFFAOYSA-N -1 0 354.189 4.018 50 0 FIAARM C[C@H](Cn1c(=O)c2sc3ncccc3c2[n-]c1=S)c1ccccc1 ZINC000101275694 570818168 /nfs/dbraw/zinc/81/81/68/570818168.db2.gz BDCNQIDAJAOIJN-LLVKDONJSA-N -1 0 353.472 4.472 50 0 FIAARM CCn1c(=O)c(-c2nc(-c3ccc(Cl)cc3)no2)c([O-])c2ccccc21 ZINC000101725448 570822820 /nfs/dbraw/zinc/82/28/20/570822820.db2.gz GPMXIOVYKXHSLF-UHFFFAOYSA-N -1 0 367.792 4.097 50 0 FIAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3ccccc3C)no2)c1=O ZINC000101725384 570822891 /nfs/dbraw/zinc/82/28/91/570822891.db2.gz SWHCMDQDIWZFMG-UHFFFAOYSA-N -1 0 361.401 4.143 50 0 FIAARM C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047188594 570881819 /nfs/dbraw/zinc/88/18/19/570881819.db2.gz QNAORRSSHGQACD-SNVBAGLBSA-N -1 0 373.865 4.012 50 0 FIAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1c(F)cccc1Cl ZINC000024838920 570983806 /nfs/dbraw/zinc/98/38/06/570983806.db2.gz ANUZDMNRBZWAAJ-UHFFFAOYSA-N -1 0 365.861 4.189 50 0 FIAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]12C ZINC000025555804 570996966 /nfs/dbraw/zinc/99/69/66/570996966.db2.gz XDDNRKFJOAQYQX-NQNYXLHISA-N -1 0 362.510 4.457 50 0 FIAARM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)no1 ZINC000225444122 571035789 /nfs/dbraw/zinc/03/57/89/571035789.db2.gz ZMGGFIWSDCBSFJ-UHFFFAOYSA-N -1 0 368.764 4.271 50 0 FIAARM Cc1nc2ccc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)cc2s1 ZINC000040088302 571074322 /nfs/dbraw/zinc/07/43/22/571074322.db2.gz IERCFJNLRBCQQM-UHFFFAOYSA-N -1 0 368.443 4.168 50 0 FIAARM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000001430707 571075095 /nfs/dbraw/zinc/07/50/95/571075095.db2.gz VERHIVLYHUAKRX-UHFFFAOYSA-N -1 0 373.478 4.060 50 0 FIAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC(c2ccccc2)CC1 ZINC000040108686 571078499 /nfs/dbraw/zinc/07/84/99/571078499.db2.gz JFNXPCNMYKWNRY-UHFFFAOYSA-N -1 0 365.458 4.018 50 0 FIAARM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cc(Cl)ccc1Cl ZINC000040146675 571085622 /nfs/dbraw/zinc/08/56/22/571085622.db2.gz VIPTVURXVWQJGF-UHFFFAOYSA-N -1 0 369.229 4.449 50 0 FIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccsc2)CC(=O)N3)cc1 ZINC000040266992 571092426 /nfs/dbraw/zinc/09/24/26/571092426.db2.gz PLQSRJZQYLDPDL-CQSZACIVSA-N -1 0 368.414 4.369 50 0 FIAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1 ZINC000040309392 571093745 /nfs/dbraw/zinc/09/37/45/571093745.db2.gz UMKGYDIFTOCUSY-INIZCTEOSA-N -1 0 362.385 4.308 50 0 biogenic FIAARM CCOc1ccc(CC2C(=O)N=C(SCc3ccccc3)N=C2[O-])cc1 ZINC000009360021 571106124 /nfs/dbraw/zinc/10/61/24/571106124.db2.gz IJCVNMBTGYAPHV-UHFFFAOYSA-N -1 0 368.458 4.170 50 0 FIAARM C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)[O-] ZINC000009435153 571109403 /nfs/dbraw/zinc/10/94/03/571109403.db2.gz CUEHZWIHVOULOR-QAPCUYQASA-N -1 0 352.434 4.220 50 0 FIAARM C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000011907406 571114160 /nfs/dbraw/zinc/11/41/60/571114160.db2.gz SOUCOWITPNFCHK-LBPRGKRZSA-N -1 0 352.415 4.052 50 0 FIAARM CCCc1cc2c(cc1[O-])oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005904270 571168138 /nfs/dbraw/zinc/16/81/38/571168138.db2.gz RJNHFPYEGPPHDO-UHFFFAOYSA-N -1 0 352.386 4.409 50 0 biogenic FIAARM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000006352306 571182340 /nfs/dbraw/zinc/18/23/40/571182340.db2.gz ZXWAPIMEFBBCSJ-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM Cc1c2ccc(OCc3cccc(Cl)c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000004046667 571204250 /nfs/dbraw/zinc/20/42/50/571204250.db2.gz ANHTWWSBEFLUGR-UHFFFAOYSA-N -1 0 372.804 4.351 50 0 biogenic FIAARM COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)oc2c3CCCC2)cc1 ZINC000004735790 571227342 /nfs/dbraw/zinc/22/73/42/571227342.db2.gz XFRMTIPOHFXURM-UHFFFAOYSA-N -1 0 371.458 4.429 50 0 FIAARM Cc1ccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)cc1 ZINC000002092988 571276881 /nfs/dbraw/zinc/27/68/81/571276881.db2.gz ONERJKRFKMWSSM-UHFFFAOYSA-N -1 0 366.413 4.314 50 0 biogenic FIAARM CN(C)c1ccc(NC(=O)NOCc2ccccc2)c(C(F)(F)F)c1 ZINC000065993594 571288443 /nfs/dbraw/zinc/28/84/43/571288443.db2.gz AYDVEQNITUKTOH-UHFFFAOYSA-N -1 0 353.344 4.025 50 0 FIAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(-c2nc[nH]c2Sc2ccc(Cl)cn2)cc1 ZINC000168250950 571309390 /nfs/dbraw/zinc/30/93/90/571309390.db2.gz PYJXAALBQJUIHA-KGLIPLIRSA-N -1 0 371.849 4.464 50 0 FIAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000261361101 571323333 /nfs/dbraw/zinc/32/33/33/571323333.db2.gz IUXAQXHMVAZGGR-OALUTQOASA-N -1 0 367.445 4.217 50 0 FIAARM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000095459312 571330123 /nfs/dbraw/zinc/33/01/23/571330123.db2.gz HENXMFXTEPNZKH-DIFFPNOSSA-N -1 0 372.446 4.005 50 0 FIAARM O=c1nc(CSCc2ccccc2)[n-]c2c(-c3ccccc3)nsc21 ZINC000096008327 571333870 /nfs/dbraw/zinc/33/38/70/571333870.db2.gz UONMRIOITZPVHT-UHFFFAOYSA-N -1 0 365.483 4.480 50 0 FIAARM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1(C)CC1 ZINC000228587366 571336362 /nfs/dbraw/zinc/33/63/62/571336362.db2.gz BWXDHPOWSGRCFW-JOCHJYFZSA-N -1 0 365.429 4.169 50 0 FIAARM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000002628871 571339551 /nfs/dbraw/zinc/33/95/51/571339551.db2.gz MDWKHRNWIVCOID-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)cc1 ZINC000002640282 571339869 /nfs/dbraw/zinc/33/98/69/571339869.db2.gz WMQFEVYHNUECEA-UHFFFAOYSA-N -1 0 369.870 4.111 50 0 FIAARM CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])c2ccccc12 ZINC000003009719 571343401 /nfs/dbraw/zinc/34/34/01/571343401.db2.gz BFJGQBNQTLPPFP-RGEXLXHISA-N -1 0 361.397 4.094 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003296690 571346886 /nfs/dbraw/zinc/34/68/86/571346886.db2.gz APOZVIQLGYSNJN-UHFFFAOYSA-N -1 0 365.760 4.168 50 0 FIAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1c(F)cccc1F ZINC000003532662 571350766 /nfs/dbraw/zinc/35/07/66/571350766.db2.gz NTNMGWGEDZAEMB-UHFFFAOYSA-N -1 0 359.397 4.356 50 0 FIAARM c1sc([N-]c2nc3cc4c(cc3s2)OCO4)nc1-c1cccnc1 ZINC000004061305 571354568 /nfs/dbraw/zinc/35/45/68/571354568.db2.gz SQMVYGLECCBZBY-UHFFFAOYSA-N -1 0 354.416 4.287 50 0 FIAARM CCc1ccc(N(CC)C(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])cc1 ZINC000004192562 571356669 /nfs/dbraw/zinc/35/66/69/571356669.db2.gz AURUEKSQGWPCFK-UHFFFAOYSA-N -1 0 364.445 4.035 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000254836258 1086377197 /nfs/dbraw/zinc/37/71/97/1086377197.db2.gz UWLWOVKLPSQZRY-UHFFFAOYSA-N -1 0 372.787 4.117 50 0 FIAARM CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262389954 1087373449 /nfs/dbraw/zinc/37/34/49/1087373449.db2.gz KEPDNHKGDGLQOD-LLVKDONJSA-N -1 0 366.339 4.022 50 0 FIAARM Cc1c([N-]S(=O)(=O)Cc2c(F)cccc2F)onc1C1CCCCC1 ZINC000329703609 1091071532 /nfs/dbraw/zinc/07/15/32/1091071532.db2.gz IKZQTIHNVUDJRU-UHFFFAOYSA-N -1 0 370.421 4.251 50 0 FIAARM Cc1nc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)ccc1C(=O)[O-] ZINC000263573779 1102265168 /nfs/dbraw/zinc/26/51/68/1102265168.db2.gz MVLZTNODHYBCGI-SFHVURJKSA-N -1 0 366.461 4.106 50 0 FIAARM CC[C@@H](N=c1cc(-c2ccc(OC)cc2)oc2ccc(C)cc21)C(=O)[O-] ZINC000254383052 1114000191 /nfs/dbraw/zinc/00/01/91/1114000191.db2.gz ONIINDPDHIFBGG-QGZVFWFLSA-N -1 0 351.402 4.181 50 0 FIAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000170811583 1115778654 /nfs/dbraw/zinc/77/86/54/1115778654.db2.gz IWHDBTUEFXOSKZ-HNNXBMFYSA-N -1 0 358.246 4.145 50 0 FIAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc(OC)c1 ZINC000033462874 1122536079 /nfs/dbraw/zinc/53/60/79/1122536079.db2.gz LYAKMTRKURAEPO-QPEQYQDCSA-N -1 0 355.415 4.329 50 0 FIAARM O=C([O-])c1ccccc1SCC(=O)c1ccc(Br)cc1 ZINC000000834820 219328521 /nfs/dbraw/zinc/32/85/21/219328521.db2.gz VDMFLVMQHQPVAU-UHFFFAOYSA-N -1 0 351.221 4.122 50 0 FIAARM C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000000902174 219337908 /nfs/dbraw/zinc/33/79/08/219337908.db2.gz GOCUAJYOYBLQRH-QMMMGPOBSA-N -1 0 361.703 4.398 50 0 in-vivo FIAARM CC(=O)c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001027878 219355418 /nfs/dbraw/zinc/35/54/18/219355418.db2.gz JHGQDIKWHXKWJV-UHFFFAOYSA-N -1 0 357.456 4.419 50 0 FIAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000001013736 219352912 /nfs/dbraw/zinc/35/29/12/219352912.db2.gz JKDKRCMGADXLPC-CQSZACIVSA-N -1 0 361.825 4.011 50 0 FIAARM Cc1cc2nc(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)[n-]c2cc1C ZINC000001080515 219366056 /nfs/dbraw/zinc/36/60/56/219366056.db2.gz LYCXRMXEMIIVNU-UHFFFAOYSA-N -1 0 368.380 4.172 50 0 FIAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(-c3ccccc3)cc2)cc1 ZINC000001117115 219372216 /nfs/dbraw/zinc/37/22/16/219372216.db2.gz VPJHTNMCPUQGFX-UHFFFAOYSA-N -1 0 350.439 4.319 50 0 FIAARM O=S(=O)(C=C([O-])c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000001402881 219402927 /nfs/dbraw/zinc/40/29/27/219402927.db2.gz PVKQJNCAUIZAPW-UHFFFAOYSA-N -1 0 363.649 4.303 50 0 FIAARM Cc1oc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1COc1ccccc1 ZINC000002870322 219471914 /nfs/dbraw/zinc/47/19/14/219471914.db2.gz DJTIVUUPRNZGOJ-UHFFFAOYSA-N -1 0 351.358 4.118 50 0 FIAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000003672764 219525236 /nfs/dbraw/zinc/52/52/36/219525236.db2.gz PAORKHPUYWRMMU-UHFFFAOYSA-N -1 0 373.364 4.286 50 0 FIAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCC2)cc1 ZINC000003883488 219527221 /nfs/dbraw/zinc/52/72/21/219527221.db2.gz LPGJFDJKGZMMCF-WOJBJXKFSA-N -1 0 365.429 4.003 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004700367 219598639 /nfs/dbraw/zinc/59/86/39/219598639.db2.gz SUHLNUCJAAQWEM-RBUKOAKNSA-N -1 0 353.418 4.095 50 0 FIAARM O=S(=O)([N-]c1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000008132332 219848858 /nfs/dbraw/zinc/84/88/58/219848858.db2.gz RVVYQPLURRLHLR-UHFFFAOYSA-N -1 0 367.455 4.159 50 0 FIAARM Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccccc1C(=O)[O-] ZINC000012517322 220002080 /nfs/dbraw/zinc/00/20/80/220002080.db2.gz IVRNNQUNGOMDMR-UHFFFAOYSA-N -1 0 370.474 4.024 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000012525790 220003225 /nfs/dbraw/zinc/00/32/25/220003225.db2.gz PIJNJRJUTWXHSX-UHFFFAOYSA-N -1 0 357.435 4.144 50 0 FIAARM O=C([O-])c1cccc(CSc2nnc(NCCc3ccccc3)s2)c1 ZINC000012851738 220036214 /nfs/dbraw/zinc/03/62/14/220036214.db2.gz CTIRNCVKWGZAGZ-UHFFFAOYSA-N -1 0 371.487 4.183 50 0 FIAARM O=C([O-])CCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000012957258 220046134 /nfs/dbraw/zinc/04/61/34/220046134.db2.gz LAQITLKSECQDHZ-UHFFFAOYSA-N -1 0 371.234 4.319 50 0 FIAARM C[C@@](CC(=O)Nc1ccc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000013250345 220062582 /nfs/dbraw/zinc/06/25/82/220062582.db2.gz JQGXNVBDAPSNAN-KRWDZBQOSA-N -1 0 352.217 4.365 50 0 FIAARM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632733 220128621 /nfs/dbraw/zinc/12/86/21/220128621.db2.gz OZJGKTWSHFVPPN-IBGZPJMESA-N -1 0 367.445 4.415 50 0 FIAARM O=C([O-])c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015019250 220141539 /nfs/dbraw/zinc/14/15/39/220141539.db2.gz GTSBLULVMJNYDP-NTEUORMPSA-N -1 0 359.790 4.279 50 0 FIAARM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000016153962 220179929 /nfs/dbraw/zinc/17/99/29/220179929.db2.gz AQOCKRABKWUCCY-UHFFFAOYSA-N -1 0 372.443 4.097 50 0 FIAARM O=c1nc(Nc2ccc(Nc3ccccc3)cc2)[n-]nc1-c1ccc(F)cc1 ZINC000016806913 220194634 /nfs/dbraw/zinc/19/46/34/220194634.db2.gz MUPQAFXMAXKJTJ-UHFFFAOYSA-N -1 0 373.391 4.458 50 0 FIAARM COc1ccc(-c2[nH]nc3nc(-c4ccccc4C)cc(C(=O)[O-])c32)cc1 ZINC000020492090 220329202 /nfs/dbraw/zinc/32/92/02/220329202.db2.gz WRDYZGIZGKZJHC-UHFFFAOYSA-N -1 0 359.385 4.307 50 0 FIAARM O=c1c(-c2nc(-c3ccc(Br)cc3)no2)c[n-]c2ccccc21 ZINC000020715752 220338718 /nfs/dbraw/zinc/33/87/18/220338718.db2.gz DLCSRPLXHSBATA-UHFFFAOYSA-N -1 0 368.190 4.008 50 0 FIAARM Cc1cc(C)cc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c1 ZINC000035622635 220791281 /nfs/dbraw/zinc/79/12/81/220791281.db2.gz DVRYBZYSPRYJAN-UHFFFAOYSA-N -1 0 358.401 4.455 50 0 FIAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2)CC(=O)N3)c1 ZINC000044902779 220962838 /nfs/dbraw/zinc/96/28/38/220962838.db2.gz CPVPEHGNVUSZMH-INIZCTEOSA-N -1 0 362.385 4.308 50 0 FIAARM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063810959 221143934 /nfs/dbraw/zinc/14/39/34/221143934.db2.gz OJEQDWPXTIOUGB-QGZVFWFLSA-N -1 0 365.458 4.284 50 0 FIAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)C(C)C)c(C(=O)[O-])c3)C2)c1 ZINC000064588888 221148817 /nfs/dbraw/zinc/14/88/17/221148817.db2.gz USUONNKWYSZMFJ-QGZVFWFLSA-N -1 0 366.461 4.282 50 0 FIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2C)ccc1C ZINC000064837605 221153634 /nfs/dbraw/zinc/15/36/34/221153634.db2.gz ZZWKKPJOUHFHRP-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)cc1 ZINC000064837791 221153905 /nfs/dbraw/zinc/15/39/05/221153905.db2.gz CWNGIBSSLQZTHP-UHFFFAOYSA-N -1 0 372.446 4.158 50 0 FIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064947294 221157040 /nfs/dbraw/zinc/15/70/40/221157040.db2.gz QJAFZEPTIMNLTI-UHFFFAOYSA-N -1 0 373.453 4.046 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(C)cc2)c1C ZINC000064947328 221157687 /nfs/dbraw/zinc/15/76/87/221157687.db2.gz RWORGIUGSMLGNK-UHFFFAOYSA-N -1 0 369.490 4.161 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)c1C ZINC000065031313 221165373 /nfs/dbraw/zinc/16/53/73/221165373.db2.gz HYWVULXPAAQVRR-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM O=C([O-])[C@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)C1 ZINC000003358693 132385295 /nfs/dbraw/zinc/38/52/95/132385295.db2.gz ILVYRZSYPBCXEP-LBPRGKRZSA-N -1 0 373.865 4.313 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000096323602 222115493 /nfs/dbraw/zinc/11/54/93/222115493.db2.gz GQJMGJAXOZKNKT-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM COc1ccc(-c2nnc(S/C(=C\c3ccc(F)cc3)C(=O)[O-])o2)cc1 ZINC000096833583 222132210 /nfs/dbraw/zinc/13/22/10/222132210.db2.gz YCSVGYSVBVXNSY-GDNBJRDFSA-N -1 0 372.377 4.102 50 0 FIAARM CC(=O)Nc1ccc(/C=C\c2cc(C(=O)[O-])c3ccc(F)cc3n2)cc1 ZINC000097040509 222153788 /nfs/dbraw/zinc/15/37/88/222153788.db2.gz YDOQACQEMMBRMX-YWEYNIOJSA-N -1 0 350.349 4.201 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)o2)c1C ZINC000097098209 222157864 /nfs/dbraw/zinc/15/78/64/222157864.db2.gz BCOGZBSMOHSPGL-UHFFFAOYSA-N -1 0 359.451 4.211 50 0 FIAARM O=C(N[C@H]1CC[C@@H](C(=O)[O-])CC1)OCC1c2ccccc2-c2ccccc21 ZINC000100051286 222232744 /nfs/dbraw/zinc/23/27/44/222232744.db2.gz RIZQTCLNVHZQOO-SHTZXODSSA-N -1 0 365.429 4.169 50 0 FIAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21 ZINC000101085928 222261755 /nfs/dbraw/zinc/26/17/55/222261755.db2.gz CIDCSEGUDSXHBN-UHFFFAOYSA-N -1 0 369.346 4.299 50 0 FIAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccc(Br)cc1 ZINC000101083931 222262076 /nfs/dbraw/zinc/26/20/76/222262076.db2.gz ZHURIQMQEPAKNC-UHFFFAOYSA-N -1 0 358.239 4.052 50 0 FIAARM Cc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1Cl ZINC000002971875 263327572 /nfs/dbraw/zinc/32/75/72/263327572.db2.gz VISJXCYHJAGRQV-UHFFFAOYSA-N -1 0 373.865 4.050 50 0 FIAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2s1 ZINC000007505267 263351940 /nfs/dbraw/zinc/35/19/40/263351940.db2.gz KMTXKCGGECNSKK-UHFFFAOYSA-N -1 0 356.831 4.198 50 0 FIAARM CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)[O-] ZINC000044831648 263404386 /nfs/dbraw/zinc/40/43/86/263404386.db2.gz UWRAFLVCVDLIMQ-UHFFFAOYSA-N -1 0 353.418 4.026 50 0 FIAARM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1 ZINC000095067953 570451418 /nfs/dbraw/zinc/45/14/18/570451418.db2.gz YDMWKMQFSAXVKG-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@H](CC(=O)[O-])c1ccccc1 ZINC000095501991 570463405 /nfs/dbraw/zinc/46/34/05/570463405.db2.gz FMIRXEUUVBKLBU-GOSISDBHSA-N -1 0 364.445 4.381 50 0 FIAARM CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)[O-])c1 ZINC000001420481 570499311 /nfs/dbraw/zinc/49/93/11/570499311.db2.gz SSZRVVHPLPWQCW-UHFFFAOYSA-N -1 0 352.387 4.079 50 0 FIAARM CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1 ZINC000002534245 570524157 /nfs/dbraw/zinc/52/41/57/570524157.db2.gz XNXUELOSQOEMNU-KGLIPLIRSA-N -1 0 353.344 4.365 50 0 FIAARM Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cs2)c(C)c1 ZINC000237746962 570574134 /nfs/dbraw/zinc/57/41/34/570574134.db2.gz OBTNDXCWNRHLEJ-HNNXBMFYSA-N -1 0 372.490 4.144 50 0 FIAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004145954 570578528 /nfs/dbraw/zinc/57/85/28/570578528.db2.gz AXTBCZLYJIIKIY-CQSZACIVSA-N -1 0 371.742 4.497 50 0 FIAARM O=C([O-])C[C@@H](CC(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000004371506 570587887 /nfs/dbraw/zinc/58/78/87/570587887.db2.gz PPKCMHZBEPWSFT-OAHLLOKOSA-N -1 0 353.443 4.166 50 0 FIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000004521085 570594942 /nfs/dbraw/zinc/59/49/42/570594942.db2.gz PCJHOCNJLMFYCV-OAQYLSRUSA-N -1 0 373.408 4.351 50 0 FIAARM O=c1[n-]c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000011990967 570603675 /nfs/dbraw/zinc/60/36/75/570603675.db2.gz KJYQVBAPQBRDHD-UHFFFAOYSA-N -1 0 364.257 4.431 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000075435321 570631885 /nfs/dbraw/zinc/63/18/85/570631885.db2.gz QSRFZAUYRYQIJC-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM COCCCn1c(=O)c2c(-c3ccccc3Cl)csc2[n-]c1=S ZINC000005925458 570638908 /nfs/dbraw/zinc/63/89/08/570638908.db2.gz YGBKECVJWSCUQK-UHFFFAOYSA-N -1 0 366.895 4.477 50 0 FIAARM O=C([O-])CS[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005253745 570640225 /nfs/dbraw/zinc/64/02/25/570640225.db2.gz VIZPLPQXAWOQAQ-OAHLLOKOSA-N -1 0 370.257 4.491 50 0 FIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002784945 570671679 /nfs/dbraw/zinc/67/16/79/570671679.db2.gz NTWRCTMRUKNTIS-CABCVRRESA-N -1 0 356.447 4.032 50 0 FIAARM O=S(=O)(C=C([O-])c1ccc([C@@H]2CC2(Cl)Cl)cc1)c1ccccc1 ZINC000009614862 570696207 /nfs/dbraw/zinc/69/62/07/570696207.db2.gz STLLSCLUBHZGGU-HNNXBMFYSA-N -1 0 369.269 4.004 50 0 FIAARM CCc1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000169295220 570800339 /nfs/dbraw/zinc/80/03/39/570800339.db2.gz JLPVHPXULHPJTN-UHFFFAOYSA-N -1 0 370.474 4.245 50 0 FIAARM C[C@@H](Cn1c(=O)c2sc3ncccc3c2[n-]c1=S)c1ccccc1 ZINC000101275691 570818300 /nfs/dbraw/zinc/81/83/00/570818300.db2.gz BDCNQIDAJAOIJN-NSHDSACASA-N -1 0 353.472 4.472 50 0 FIAARM CC[C@@H](C)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002504849 570826894 /nfs/dbraw/zinc/82/68/94/570826894.db2.gz VHZUUIWBAYOCDD-VLIAUNLRSA-N -1 0 367.445 4.415 50 0 FIAARM CCOc1ccccc1Cn1c(=O)c2sc3ncccc3c2[n-]c1=S ZINC000102923882 570840979 /nfs/dbraw/zinc/84/09/79/570840979.db2.gz HCVLODQNKLTEEI-UHFFFAOYSA-N -1 0 369.471 4.116 50 0 FIAARM O=C1CC(=C([O-])c2ccc(Cl)s2)c2c(n[nH]c2-c2ccccc2)N1 ZINC000046057916 570922942 /nfs/dbraw/zinc/92/29/42/570922942.db2.gz RLTSGNYVBXXCSW-SNVBAGLBSA-N -1 0 357.822 4.100 50 0 FIAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cccs2)c1 ZINC000046057400 570923050 /nfs/dbraw/zinc/92/30/50/570923050.db2.gz WXIUZNVEMPFZHK-HNNXBMFYSA-N -1 0 365.458 4.113 50 0 FIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000023371164 570962351 /nfs/dbraw/zinc/96/23/51/570962351.db2.gz MMAARCVMDYTZAR-UHFFFAOYSA-N -1 0 366.364 4.363 50 0 FIAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000024262666 570973686 /nfs/dbraw/zinc/97/36/86/570973686.db2.gz LTAUSWBMQAJRCR-UHFFFAOYSA-N -1 0 373.455 4.003 50 0 FIAARM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000235334650 571009252 /nfs/dbraw/zinc/00/92/52/571009252.db2.gz RFSOHOZSKYIBGC-HUUCEWRRSA-N -1 0 365.429 4.121 50 0 FIAARM Cc1ccc(-c2cc(C(=O)[N-]c3nonc3-c3ccccc3)no2)cc1F ZINC000027584689 571015673 /nfs/dbraw/zinc/01/56/73/571015673.db2.gz HBXDSIOXBZDXCA-UHFFFAOYSA-N -1 0 364.336 4.091 50 0 FIAARM O=S(=O)([N-]c1cccc2nsnc21)c1ccc(-c2ccccc2)cc1 ZINC000027794469 571021769 /nfs/dbraw/zinc/02/17/69/571021769.db2.gz DUMLJEKXYYWHDG-UHFFFAOYSA-N -1 0 367.455 4.159 50 0 FIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)c2ccncc2)c1Cl ZINC000008457304 571047659 /nfs/dbraw/zinc/04/76/59/571047659.db2.gz GQDGQWOWFLWYRO-LLVKDONJSA-N -1 0 359.278 4.045 50 0 FIAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000012416037 571096813 /nfs/dbraw/zinc/09/68/13/571096813.db2.gz OVWVYOZXYQVGBA-UHFFFAOYSA-N -1 0 370.408 4.257 50 0 FIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)c2ccccc12 ZINC000041096794 571097034 /nfs/dbraw/zinc/09/70/34/571097034.db2.gz CAAYMHPXOGBXFQ-UHFFFAOYSA-N -1 0 356.447 4.215 50 0 FIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)c1C ZINC000009686642 571117160 /nfs/dbraw/zinc/11/71/60/571117160.db2.gz HBGDMUUOMFAWHL-UHFFFAOYSA-N -1 0 367.883 4.209 50 0 FIAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000075106940 571155312 /nfs/dbraw/zinc/15/53/12/571155312.db2.gz OGOLGPXSVUMRFA-UHFFFAOYSA-N -1 0 359.426 4.079 50 0 FIAARM Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(C(=O)[O-])n2)c(C)c1 ZINC000000624719 571166129 /nfs/dbraw/zinc/16/61/29/571166129.db2.gz SEPZDVLJLBHBKP-UHFFFAOYSA-N -1 0 366.442 4.228 50 0 FIAARM CCc1ccccc1C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072162653 571175956 /nfs/dbraw/zinc/17/59/56/571175956.db2.gz HILJZMAJSSEZAB-UHFFFAOYSA-N -1 0 351.446 4.042 50 0 FIAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000035592591 571182786 /nfs/dbraw/zinc/18/27/86/571182786.db2.gz ZRILPWOTPZRGGR-UHFFFAOYSA-N -1 0 366.653 4.462 50 0 FIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000003624681 571186181 /nfs/dbraw/zinc/18/61/81/571186181.db2.gz AYULTRPGSKOZKK-OXQOHEQNSA-N -1 0 369.461 4.300 50 0 FIAARM Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006502349 571205691 /nfs/dbraw/zinc/20/56/91/571205691.db2.gz DVLAFGPYLSVMMF-UHFFFAOYSA-N -1 0 353.799 4.112 50 0 FIAARM CC(C)(C)c1ccc(OCc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cc1 ZINC000077538499 571215087 /nfs/dbraw/zinc/21/50/87/571215087.db2.gz QLNGDMOEDKHRLS-UHFFFAOYSA-N -1 0 363.417 4.113 50 0 FIAARM CC(C)C[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000006660155 571239703 /nfs/dbraw/zinc/23/97/03/571239703.db2.gz PIQQQXGOHJKCFJ-INIZCTEOSA-N -1 0 367.405 4.116 50 0 FIAARM O=C1C[C@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730308 571258337 /nfs/dbraw/zinc/25/83/37/571258337.db2.gz FAMVYBPVUUZDHE-CYBMUJFWSA-N -1 0 374.348 4.200 50 0 biogenic FIAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 ZINC000002184356 571283232 /nfs/dbraw/zinc/28/32/32/571283232.db2.gz HNNBHXOCKBCHSR-DHDCSXOGSA-N -1 0 373.817 4.275 50 0 FIAARM Cn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccccc2s1 ZINC000007719364 571286435 /nfs/dbraw/zinc/28/64/35/571286435.db2.gz CBNODROYFINNIC-UHFFFAOYSA-N -1 0 352.390 4.378 50 0 FIAARM CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3[n-]cnc1=O ZINC000002296449 571316294 /nfs/dbraw/zinc/31/62/94/571316294.db2.gz ZHMIKVUDJUXOHS-UHFFFAOYSA-N -1 0 363.442 4.051 50 0 FIAARM C[C@H]1CCCc2sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c3c21 ZINC000002357957 571319310 /nfs/dbraw/zinc/31/93/10/571319310.db2.gz AUYIPEHCJGVVBT-JTQLQIEISA-N -1 0 364.430 4.144 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(Cl)c1 ZINC000078899961 571326363 /nfs/dbraw/zinc/32/63/63/571326363.db2.gz DBYIGEZSKJQUPV-UHFFFAOYSA-N -1 0 365.760 4.174 50 0 FIAARM COc1ccc2nc([N-]c3nnc(-c4cccc(OC)c4)o3)sc2c1 ZINC000004137754 571355987 /nfs/dbraw/zinc/35/59/87/571355987.db2.gz JPDWSURKELGNEI-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000004141937 571356169 /nfs/dbraw/zinc/35/61/69/571356169.db2.gz CARGTECPHKJDLX-ZWKOTPCHSA-N -1 0 373.449 4.029 50 0 FIAARM CC(=NNC(=O)c1c[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000254706118 1086370260 /nfs/dbraw/zinc/37/02/60/1086370260.db2.gz KOIKADRWXRDCOK-UHFFFAOYSA-N -1 0 362.216 4.334 50 0 FIAARM C/C(=C\C(=O)Nc1ccc(Br)cc1C(=O)[O-])c1ccccc1 ZINC000005093039 1086521173 /nfs/dbraw/zinc/52/11/73/1086521173.db2.gz ATSNZALRCKPNAW-PKNBQFBNSA-N -1 0 360.207 4.189 50 0 FIAARM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)c3ccc(Cl)cc3)sc21 ZINC000888096047 1086768389 /nfs/dbraw/zinc/76/83/89/1086768389.db2.gz QFJOSRQLODPZNA-DTWKUNHWSA-N -1 0 365.838 4.374 50 0 FIAARM CCCOc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000047102184 1091313030 /nfs/dbraw/zinc/31/30/30/1091313030.db2.gz QGMQEFZJCQFIDA-UHFFFAOYSA-N -1 0 355.419 4.039 50 0 FIAARM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262224252 1093451530 /nfs/dbraw/zinc/45/15/30/1093451530.db2.gz RKCBLWJKAAHXFU-KRWDZBQOSA-N -1 0 355.434 4.049 50 0 FIAARM CCCN(C(=O)c1ccc(C(=O)[O-])c(C)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000262944344 1099752328 /nfs/dbraw/zinc/75/23/28/1099752328.db2.gz BTVMSIAJGOYRBM-AWEZNQCLSA-N -1 0 366.417 4.448 50 0 FIAARM COc1ccc(-c2cc(=N[C@H](C(=O)[O-])C(C)C)c3ccccc3o2)cc1 ZINC000254622581 1114386717 /nfs/dbraw/zinc/38/67/17/1114386717.db2.gz DPHFPKJORWVMRC-FQEVSTJZSA-N -1 0 351.402 4.118 50 0 FIAARM CC(=O)Nc1sc(-c2cccc(C(=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000170623662 222607794 /nfs/dbraw/zinc/60/77/94/222607794.db2.gz CZZOBMWUPTXSQU-UHFFFAOYSA-N -1 0 352.415 4.442 50 0 FIAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(Br)s1 ZINC000000627994 219306780 /nfs/dbraw/zinc/30/67/80/219306780.db2.gz GMRBQKDHVPASFX-UHFFFAOYSA-N -1 0 368.277 4.465 50 0 FIAARM CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000949069 219345537 /nfs/dbraw/zinc/34/55/37/219345537.db2.gz BJYGWOBBSDOKHU-UHFFFAOYSA-N -1 0 364.401 4.470 50 0 FIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000001067408 219363170 /nfs/dbraw/zinc/36/31/70/219363170.db2.gz STNDDXSIBBPNPX-UHFFFAOYSA-N -1 0 357.406 4.302 50 0 FIAARM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000001071080 219364182 /nfs/dbraw/zinc/36/41/82/219364182.db2.gz RFVKRKKGIBGSQG-UHFFFAOYSA-N -1 0 360.262 4.420 50 0 FIAARM CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576222 219412167 /nfs/dbraw/zinc/41/21/67/219412167.db2.gz QXVFEIPAZSXRGM-YJYMSZOUSA-N -1 0 353.418 4.024 50 0 FIAARM CCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002511601 219447712 /nfs/dbraw/zinc/44/77/12/219447712.db2.gz VQAFHGLNHSVMSP-AWEZNQCLSA-N -1 0 353.418 4.169 50 0 FIAARM COc1ccc(-c2nnc([N-]c3nc4ccc(F)cc4s3)o2)c(OC)c1 ZINC000004137795 219547393 /nfs/dbraw/zinc/54/73/93/219547393.db2.gz BGCSFUYUHXWMFR-UHFFFAOYSA-N -1 0 372.381 4.246 50 0 FIAARM O=C([O-])C[C@H](CC(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000004371505 219570929 /nfs/dbraw/zinc/57/09/29/219570929.db2.gz PPKCMHZBEPWSFT-HNNXBMFYSA-N -1 0 353.443 4.166 50 0 FIAARM O=C([O-])C[C@H](NC(=O)c1cccs1)c1ccc(OC2CCCC2)cc1 ZINC000004654000 219592383 /nfs/dbraw/zinc/59/23/83/219592383.db2.gz UDSVOBVIHOQAEH-INIZCTEOSA-N -1 0 359.447 4.015 50 0 FIAARM CC1(C)Cc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)[O-])CO1 ZINC000004785295 219607072 /nfs/dbraw/zinc/60/70/72/219607072.db2.gz LEQCXQMANHJLGJ-UHFFFAOYSA-N -1 0 362.476 4.107 50 0 FIAARM CC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004899519 219621475 /nfs/dbraw/zinc/62/14/75/219621475.db2.gz VZOHGJIGTNUNNC-SFHVURJKSA-N -1 0 353.418 4.024 50 0 FIAARM CC1=C(C)C[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000004903234 219622222 /nfs/dbraw/zinc/62/22/22/219622222.db2.gz GOKDECLRUVZGJO-CHWSQXEVSA-N -1 0 356.249 4.057 50 0 FIAARM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000008849474 219870217 /nfs/dbraw/zinc/87/02/17/219870217.db2.gz AJRWQCPGFHQVBX-UHFFFAOYSA-N -1 0 358.353 4.445 50 0 FIAARM CCn1c(CSc2ccc(NC(C)=O)cc2)nc2cc(C(=O)[O-])ccc21 ZINC000012627631 220014815 /nfs/dbraw/zinc/01/48/15/220014815.db2.gz OPQLWAUBZYXIAJ-UHFFFAOYSA-N -1 0 369.446 4.005 50 0 FIAARM C[C@@](CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000013250079 220062703 /nfs/dbraw/zinc/06/27/03/220062703.db2.gz OMEBGDVRDFRTFO-KRWDZBQOSA-N -1 0 352.217 4.365 50 0 FIAARM O=C([O-])/C=C\C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000013382176 220065800 /nfs/dbraw/zinc/06/58/00/220065800.db2.gz LVEUADPGGSTCQW-KHPPLWFESA-N -1 0 350.399 4.056 50 0 FIAARM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000013677461 220083922 /nfs/dbraw/zinc/08/39/22/220083922.db2.gz IGZGVMWGRYJQRH-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM O=C([O-])c1cccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000013809886 220096224 /nfs/dbraw/zinc/09/62/24/220096224.db2.gz VJXKJXOOKLQHFZ-DHDCSXOGSA-N -1 0 371.439 4.293 50 0 FIAARM O=C([O-])c1cc(/C=C/c2cccnc2)nc2ccc(Br)cc21 ZINC000022148990 220378928 /nfs/dbraw/zinc/37/89/28/220378928.db2.gz OMLWOMPGSDDIDN-HWKANZROSA-N -1 0 355.191 4.261 50 0 FIAARM C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000025047881 220473788 /nfs/dbraw/zinc/47/37/88/220473788.db2.gz BYZFUNHQDREUND-XOBRGWDASA-N -1 0 369.436 4.140 50 0 FIAARM CCn1ccc2cc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)ccc21 ZINC000051410001 221035429 /nfs/dbraw/zinc/03/54/29/221035429.db2.gz QHBUSLKEEFEZEM-UHFFFAOYSA-N -1 0 364.430 4.225 50 0 FIAARM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055149365 221060237 /nfs/dbraw/zinc/06/02/37/221060237.db2.gz SCEOVMGLDIUBOZ-UHFFFAOYSA-N -1 0 368.433 4.077 50 0 FIAARM CC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c(F)c1 ZINC000058157950 221099305 /nfs/dbraw/zinc/09/93/05/221099305.db2.gz IGRKFWPUBYTRQP-UHFFFAOYSA-N -1 0 356.378 4.273 50 0 FIAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1cccs1 ZINC000063809181 221143757 /nfs/dbraw/zinc/14/37/57/221143757.db2.gz BQJGZGSWAFFAMP-CYBMUJFWSA-N -1 0 357.460 4.037 50 0 FIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(F)c2)on1 ZINC000064845397 221153278 /nfs/dbraw/zinc/15/32/78/221153278.db2.gz KPLPUXOHRKPGTL-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2)on1 ZINC000064845615 221153673 /nfs/dbraw/zinc/15/36/73/221153673.db2.gz ZLMCECXUVZOMRK-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)o2)c1C ZINC000064958508 221158440 /nfs/dbraw/zinc/15/84/40/221158440.db2.gz QYJMGUMHVNTBGF-UHFFFAOYSA-N -1 0 366.826 4.314 50 0 FIAARM CC1=Nc2c(c(=O)[nH]n2C2CCCC2)[C@@H](c2ccc(C(=O)[O-])cc2)S1 ZINC000071285609 221339585 /nfs/dbraw/zinc/33/95/85/221339585.db2.gz KUJHIQCSMKNAKM-OAHLLOKOSA-N -1 0 357.435 4.288 50 0 FIAARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccc(Cl)s1 ZINC000002647919 132383774 /nfs/dbraw/zinc/38/37/74/132383774.db2.gz RXDWTDRPUXJDPY-UHFFFAOYSA-N -1 0 356.900 4.193 50 0 in-vitro FIAARM CCOc1ccc(-n2c([S-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071610 222234176 /nfs/dbraw/zinc/23/41/76/222234176.db2.gz XPMVRROLSKPNOJ-UHFFFAOYSA-N -1 0 363.442 4.068 50 0 FIAARM CCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21 ZINC000100467513 222245793 /nfs/dbraw/zinc/24/57/93/222245793.db2.gz IJCILFHLIIZIAU-UHFFFAOYSA-N -1 0 368.408 4.289 50 0 FIAARM Cc1[n-]n2c(nc(-c3ccc(Cl)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000101443704 222275554 /nfs/dbraw/zinc/27/55/54/222275554.db2.gz NAWGFQSGCWPVRK-UHFFFAOYSA-N -1 0 353.784 4.458 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl ZINC000012505252 263371145 /nfs/dbraw/zinc/37/11/45/263371145.db2.gz OZTJJABGVGKIQS-UHFFFAOYSA-N -1 0 363.804 4.498 50 0 FIAARM CCCC[C@H](C[C@@H](O)COCCC)c1n[n-]c(=S)n1-c1ccccc1 ZINC000091290058 521200318 /nfs/dbraw/zinc/20/03/18/521200318.db2.gz UNPFKWMFOOPVNB-NVXWUHKLSA-N -1 0 363.527 4.381 50 0 FIAARM Cc1n[n-]c(=S)n1-c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000095448362 536300565 /nfs/dbraw/zinc/30/05/65/536300565.db2.gz FYJNXBUJLWHJQN-UHFFFAOYSA-N -1 0 364.474 4.299 50 0 FIAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(CC(=O)[O-])C1CCCCCC1 ZINC000095508572 570464738 /nfs/dbraw/zinc/46/47/38/570464738.db2.gz PEKAFDIICQUMAN-UHFFFAOYSA-N -1 0 356.466 4.343 50 0 FIAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1Cl ZINC000011613717 570483332 /nfs/dbraw/zinc/48/33/32/570483332.db2.gz AMGZYPMVWYKBCK-UHFFFAOYSA-N -1 0 360.262 4.420 50 0 FIAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001402939 570498789 /nfs/dbraw/zinc/49/87/89/570498789.db2.gz AZXVFONRSBZTLA-HNNXBMFYSA-N -1 0 370.257 4.491 50 0 FIAARM O=C([O-])c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002301188 570518402 /nfs/dbraw/zinc/51/84/02/570518402.db2.gz WQIVPSBEHPRBSK-UHFFFAOYSA-N -1 0 368.216 4.489 50 0 FIAARM CC(C)[C@@H]1Cc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002314095 570518908 /nfs/dbraw/zinc/51/89/08/570518908.db2.gz DTDGVQCCNJPUAD-AWEZNQCLSA-N -1 0 372.515 4.266 50 0 FIAARM [O-]c1c(Br)cc(C2SCCS2)cc1Br ZINC000002567025 570525216 /nfs/dbraw/zinc/52/52/16/570525216.db2.gz XPGFLOLINYWQGV-UHFFFAOYSA-N -1 0 356.104 4.396 50 0 FIAARM CCC(=O)Oc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000002836478 570535237 /nfs/dbraw/zinc/53/52/37/570535237.db2.gz PVOZRVCRMYDYEP-UHFFFAOYSA-N -1 0 354.189 4.267 50 0 FIAARM COc1ccc2ccccc2c1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221040045 570544993 /nfs/dbraw/zinc/54/49/93/570544993.db2.gz OFLBYJOSQVJXDN-QAPCUYQASA-N -1 0 371.433 4.026 50 0 FIAARM O=C(c1ccccc1)c1cc(Br)c([O-])c(Br)c1 ZINC000003850594 570569265 /nfs/dbraw/zinc/56/92/65/570569265.db2.gz RUGSIQILWPTQDI-UHFFFAOYSA-N -1 0 356.013 4.148 50 0 FIAARM COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])c1OC ZINC000003885084 570570231 /nfs/dbraw/zinc/57/02/31/570570231.db2.gz BPQVIKMJNIHOPM-OUKQBFOZSA-N -1 0 361.397 4.437 50 0 FIAARM C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)NCCC1=CCCCC1 ZINC000005017501 570575358 /nfs/dbraw/zinc/57/53/58/570575358.db2.gz JHUYWNVZQFDLRT-GFCCVEGCSA-N -1 0 362.524 4.021 50 0 FIAARM Nc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000035327281 570576881 /nfs/dbraw/zinc/57/68/81/570576881.db2.gz WBTTTYKLLKRJKS-UHFFFAOYSA-N -1 0 351.642 4.030 50 0 FIAARM Cc1ccc(-c2cc(C(=O)[O-])c3sc(N4CCCCC4)nc3n2)cc1 ZINC000004205608 570581307 /nfs/dbraw/zinc/58/13/07/570581307.db2.gz AZLNHYOVLUPYEJ-UHFFFAOYSA-N -1 0 353.447 4.355 50 0 FIAARM CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004521508 570595198 /nfs/dbraw/zinc/59/51/98/570595198.db2.gz VCFCFPNRQDANPN-LJQANCHMSA-N -1 0 353.418 4.169 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000004652323 570598535 /nfs/dbraw/zinc/59/85/35/570598535.db2.gz ZIBONJJMVWRWIY-OLZOCXBDSA-N -1 0 364.854 4.293 50 0 FIAARM O=c1[n-]c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000011990959 570603749 /nfs/dbraw/zinc/60/37/49/570603749.db2.gz PNBGMRLZLIRPAZ-UHFFFAOYSA-N -1 0 364.257 4.431 50 0 FIAARM Cc1ccc(C[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000005197585 570631984 /nfs/dbraw/zinc/63/19/84/570631984.db2.gz ARRASWWBPLATOR-CQSZACIVSA-N -1 0 365.351 4.286 50 0 FIAARM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000005235063 570638656 /nfs/dbraw/zinc/63/86/56/570638656.db2.gz AJFBXLKRQLKINN-UHFFFAOYSA-N -1 0 368.886 4.232 50 0 FIAARM COc1ccc(CSCCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000006405115 570646642 /nfs/dbraw/zinc/64/66/42/570646642.db2.gz CVFVVGXLKFXKNE-UHFFFAOYSA-N -1 0 357.504 4.414 50 0 FIAARM O=C([O-])c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 ZINC000005425693 570654526 /nfs/dbraw/zinc/65/45/26/570654526.db2.gz SIIKWMRUAFSJSX-UHFFFAOYSA-N -1 0 371.776 4.463 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000002737980 570668336 /nfs/dbraw/zinc/66/83/36/570668336.db2.gz HZCIMJLAYGKQHT-UONOGXRCSA-N -1 0 362.426 4.087 50 0 FIAARM Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O[C@@H](C)C(=O)[O-])cc1 ZINC000005557074 570671890 /nfs/dbraw/zinc/67/18/90/570671890.db2.gz QYIIYLRDUQDSFB-AWEZNQCLSA-N -1 0 352.386 4.237 50 0 FIAARM CC(C)COC(=O)N=c1[n-]nc(-c2ccccc2Br)s1 ZINC000005563120 570674150 /nfs/dbraw/zinc/67/41/50/570674150.db2.gz IUVVFIWPBITXRK-UHFFFAOYSA-N -1 0 356.245 4.172 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000005563046 570674276 /nfs/dbraw/zinc/67/42/76/570674276.db2.gz HVWAMRAUOLFBNM-LEWJYISDSA-N -1 0 365.473 4.149 50 0 FIAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000005578055 570677436 /nfs/dbraw/zinc/67/74/36/570677436.db2.gz DNKHBTREYGYGSF-SNVBAGLBSA-N -1 0 368.216 4.406 50 0 FIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000164531122 570775152 /nfs/dbraw/zinc/77/51/52/570775152.db2.gz LMAHJVGPSLPYBB-HOCLYGCPSA-N -1 0 372.490 4.261 50 0 FIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000032754975 570794302 /nfs/dbraw/zinc/79/43/02/570794302.db2.gz LPBSLKXJFXDNNQ-UHFFFAOYSA-N -1 0 369.490 4.215 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000023172663 570958401 /nfs/dbraw/zinc/95/84/01/570958401.db2.gz BIDWALINCRETHZ-UHFFFAOYSA-N -1 0 372.471 4.110 50 0 FIAARM CSc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000049402332 570962101 /nfs/dbraw/zinc/96/21/01/570962101.db2.gz QCYHQAYEHFAIOU-UHFFFAOYSA-N -1 0 371.487 4.348 50 0 FIAARM CC(C)[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000026897724 571008691 /nfs/dbraw/zinc/00/86/91/571008691.db2.gz AWEZXIRZNQCCNN-NRFANRHFSA-N -1 0 353.418 4.024 50 0 FIAARM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccccc4)on3)n2)s1 ZINC000028291169 571030065 /nfs/dbraw/zinc/03/00/65/571030065.db2.gz GKVWABFJHMDHSV-UHFFFAOYSA-N -1 0 368.443 4.482 50 0 FIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)c2ccncc2)c1Cl ZINC000008457303 571047532 /nfs/dbraw/zinc/04/75/32/571047532.db2.gz GQDGQWOWFLWYRO-NSHDSACASA-N -1 0 359.278 4.045 50 0 FIAARM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)o1 ZINC000001428725 571074773 /nfs/dbraw/zinc/07/47/73/571074773.db2.gz DAKHMUKXJVMHLS-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c(C)c1 ZINC000035616416 571078025 /nfs/dbraw/zinc/07/80/25/571078025.db2.gz SFKUFFKUJURZQI-UHFFFAOYSA-N -1 0 358.401 4.455 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 ZINC000004598956 571101581 /nfs/dbraw/zinc/10/15/81/571101581.db2.gz FHSBIDGOYLEMNL-VQTJNVASSA-N -1 0 367.445 4.138 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc4c3CCCC4)s2)on1 ZINC000009228249 571101804 /nfs/dbraw/zinc/10/18/04/571101804.db2.gz GAPJYAOUQFDLQS-UHFFFAOYSA-N -1 0 374.487 4.391 50 0 FIAARM CC(=O)Nc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1Cl ZINC000063640232 571118731 /nfs/dbraw/zinc/11/87/31/571118731.db2.gz KCUILVNMRIMNGR-UHFFFAOYSA-N -1 0 366.845 4.052 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000009761341 571119009 /nfs/dbraw/zinc/11/90/09/571119009.db2.gz HWMJQGRYDJCJSR-UHFFFAOYSA-N -1 0 361.492 4.118 50 0 FIAARM Cc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035142024 571119664 /nfs/dbraw/zinc/11/96/64/571119664.db2.gz HWPYXNZTJGFSAT-CJNGLKHVSA-N -1 0 359.853 4.475 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000006317187 571177615 /nfs/dbraw/zinc/17/76/15/571177615.db2.gz QTLRTMJUZQYPIS-UHFFFAOYSA-N -1 0 368.188 4.396 50 0 FIAARM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237526059 571167218 /nfs/dbraw/zinc/16/72/18/571167218.db2.gz IDEGDHQDGNRKMQ-KGLIPLIRSA-N -1 0 371.399 4.302 50 0 FIAARM CCOC(=O)c1cc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2o1 ZINC000005903046 571167882 /nfs/dbraw/zinc/16/78/82/571167882.db2.gz MVCYRPPLVJBUCT-UHFFFAOYSA-N -1 0 350.326 4.089 50 0 biogenic FIAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000006706944 571168749 /nfs/dbraw/zinc/16/87/49/571168749.db2.gz AOIBGUQTKJTROS-UHFFFAOYSA-N -1 0 351.642 4.151 50 0 FIAARM CCOc1ccc(Nc2n[n-]c(=S)n2-c2ccc(OCC)cc2)cc1 ZINC000003207115 571176315 /nfs/dbraw/zinc/17/63/15/571176315.db2.gz BDXGPJBMRHDENF-UHFFFAOYSA-N -1 0 356.451 4.471 50 0 FIAARM CC(C)c1ccc(Sc2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000073665949 571201062 /nfs/dbraw/zinc/20/10/62/571201062.db2.gz VGULCALKELGSNO-OAHLLOKOSA-N -1 0 357.479 4.052 50 0 FIAARM O=C([O-])c1cc(-c2cc(Cl)ccc2O)nc2n[nH]c(-c3ccccc3)c21 ZINC000006748988 571244835 /nfs/dbraw/zinc/24/48/35/571244835.db2.gz TXQPRSPMHYYTRN-UHFFFAOYSA-N -1 0 365.776 4.349 50 0 FIAARM C[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccccc3F)csc2[nH]1 ZINC000036203945 571245020 /nfs/dbraw/zinc/24/50/20/571245020.db2.gz QDZPZPZIXJAXPB-GFCCVEGCSA-N -1 0 357.454 4.165 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000006887665 571253142 /nfs/dbraw/zinc/25/31/42/571253142.db2.gz YIQYSUHKFPDEAY-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000006887789 571253301 /nfs/dbraw/zinc/25/33/01/571253301.db2.gz BZTQVZBJRNXVBV-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM C[C@@H]1CCCc2sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c3c21 ZINC000002357958 571319329 /nfs/dbraw/zinc/31/93/29/571319329.db2.gz AUYIPEHCJGVVBT-SNVBAGLBSA-N -1 0 364.430 4.144 50 0 FIAARM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(Cl)cc1F ZINC000095431811 571329578 /nfs/dbraw/zinc/32/95/78/571329578.db2.gz OQIUTYFTDMHJAQ-UHFFFAOYSA-N -1 0 351.786 4.139 50 0 FIAARM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc2[nH]1 ZINC000031721948 571353466 /nfs/dbraw/zinc/35/34/66/571353466.db2.gz WDTUWKHUZFYHTQ-UHFFFAOYSA-N -1 0 354.353 4.296 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000004124274 571355895 /nfs/dbraw/zinc/35/58/95/571355895.db2.gz BHUNQJMULPCDTQ-IUCAKERBSA-N -1 0 370.883 4.355 50 0 FIAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(Cc2ccccc2Cl)CC1 ZINC000263196828 1101991673 /nfs/dbraw/zinc/99/16/73/1101991673.db2.gz UIJFKMGZPBGIPY-UHFFFAOYSA-N -1 0 357.837 4.020 50 0 FIAARM Cc1cccc(Nc2nnc(-c3cc4ccc([O-])cc4oc3=O)s2)c1 ZINC000000633680 219307594 /nfs/dbraw/zinc/30/75/94/219307594.db2.gz VETGHRNWPRFELA-UHFFFAOYSA-N -1 0 351.387 4.069 50 0 biogenic FIAARM CSc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc1 ZINC000000756223 219319314 /nfs/dbraw/zinc/31/93/14/219319314.db2.gz SHXQFODSQRBJCA-INIZCTEOSA-N -1 0 361.488 4.043 50 0 FIAARM Cc1nc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1-c1ccccc1 ZINC000000777850 219319391 /nfs/dbraw/zinc/31/93/91/219319391.db2.gz AHXOFJBTPRQVAO-UHFFFAOYSA-N -1 0 363.442 4.135 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000000778357 219319399 /nfs/dbraw/zinc/31/93/99/219319399.db2.gz SFHPOBUWDZMHKJ-UHFFFAOYSA-N -1 0 366.442 4.172 50 0 FIAARM COc1ccc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)cc1OC ZINC000000853348 219330765 /nfs/dbraw/zinc/33/07/65/219330765.db2.gz IQEAXXCKINOCSI-UHFFFAOYSA-N -1 0 356.403 4.269 50 0 FIAARM Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000991210 219351591 /nfs/dbraw/zinc/35/15/91/219351591.db2.gz SNRATQFBTLMJHB-ROUUACIJSA-N -1 0 351.402 4.393 50 0 FIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(CC)cc3)sc2c1 ZINC000001114076 219372887 /nfs/dbraw/zinc/37/28/87/219372887.db2.gz ZARRREWATKKVKG-UHFFFAOYSA-N -1 0 362.476 4.058 50 0 FIAARM O=S(=O)(C=C([O-])c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000001131628 219376891 /nfs/dbraw/zinc/37/68/91/219376891.db2.gz ZSOWPIFCOCGJPT-UHFFFAOYSA-N -1 0 352.411 4.136 50 0 FIAARM O=C([O-])c1ccccc1C(=O)n1c(COc2ccccc2)nc2ccccc21 ZINC000001294076 219394369 /nfs/dbraw/zinc/39/43/69/219394369.db2.gz CHXIVUIOLKYTGP-UHFFFAOYSA-N -1 0 372.380 4.002 50 0 FIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1 ZINC000004601055 219590493 /nfs/dbraw/zinc/59/04/93/219590493.db2.gz DVDKPAYTTCEFAU-KRWDZBQOSA-N -1 0 361.825 4.073 50 0 FIAARM CC1(C)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@]1(C)C(=O)[O-] ZINC000004951531 219630268 /nfs/dbraw/zinc/63/02/68/219630268.db2.gz MXGLQOFTKFXYIA-BLLLJJGKSA-N -1 0 359.344 4.051 50 0 FIAARM O=C([O-])CCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000012957263 220046611 /nfs/dbraw/zinc/04/66/11/220046611.db2.gz XQKUUAKMGDILQK-UHFFFAOYSA-N -1 0 371.234 4.319 50 0 FIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(C)(C)C ZINC000016578691 220187932 /nfs/dbraw/zinc/18/79/32/220187932.db2.gz YWXVAWAPMHRYLX-UHFFFAOYSA-N -1 0 368.886 4.232 50 0 FIAARM O=c1c2c3c(sc2[n-]c(=S)n1CCCn1ccnc1)CCCCCC3 ZINC000017076685 220205587 /nfs/dbraw/zinc/20/55/87/220205587.db2.gz ILWHSGDWFAFTCD-UHFFFAOYSA-N -1 0 374.535 4.066 50 0 FIAARM Cc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000017889205 220218685 /nfs/dbraw/zinc/21/86/85/220218685.db2.gz MZJJZKZBGWXSSP-UHFFFAOYSA-N -1 0 363.352 4.061 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl ZINC000020627405 220337941 /nfs/dbraw/zinc/33/79/41/220337941.db2.gz RUFALCIGAAZFPJ-UHFFFAOYSA-N -1 0 374.217 4.457 50 0 FIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000021033187 220349711 /nfs/dbraw/zinc/34/97/11/220349711.db2.gz ZEFNJOLFELRMNZ-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000021033179 220349798 /nfs/dbraw/zinc/34/97/98/220349798.db2.gz WJSBULANUNOZJU-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1C ZINC000064979686 221160870 /nfs/dbraw/zinc/16/08/70/221160870.db2.gz HSUSETVINVKQCD-UHFFFAOYSA-N -1 0 372.446 4.158 50 0 FIAARM CCN(Cc1ccccc1Cl)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063809945 221143209 /nfs/dbraw/zinc/14/32/09/221143209.db2.gz FKELRVBCXFTUCK-UHFFFAOYSA-N -1 0 373.865 4.314 50 0 FIAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000065112597 221169601 /nfs/dbraw/zinc/16/96/01/221169601.db2.gz PCRQAFYNHSJSGP-UHFFFAOYSA-N -1 0 361.492 4.131 50 0 FIAARM O=C([O-])c1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 ZINC000066145933 221243169 /nfs/dbraw/zinc/24/31/69/221243169.db2.gz XRSIHUCLRXODSW-UHFFFAOYSA-N -1 0 361.397 4.259 50 0 FIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000046053440 136122007 /nfs/dbraw/zinc/12/20/07/136122007.db2.gz LMUZLYRZUNXWTH-CQSZACIVSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@H]1CCCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])C1 ZINC000046053438 136122046 /nfs/dbraw/zinc/12/20/46/136122046.db2.gz DCXKICSINZJJDD-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(C)CC1 ZINC000064820471 136133790 /nfs/dbraw/zinc/13/37/90/136133790.db2.gz ZGEZNIAFCOUZQP-UHFFFAOYSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1cc(N2CCC(Cc3ccccc3)(C(=O)[O-])CC2)nc2ccccc12 ZINC000071775878 136141185 /nfs/dbraw/zinc/14/11/85/136141185.db2.gz FIHXHBZRUKKHDZ-UHFFFAOYSA-N -1 0 360.457 4.457 50 0 FIAARM O=C([O-])CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000095424570 221902089 /nfs/dbraw/zinc/90/20/89/221902089.db2.gz HLOZYFSMVWRTKI-OAHLLOKOSA-N -1 0 357.793 4.422 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000006887185 263348449 /nfs/dbraw/zinc/34/84/49/263348449.db2.gz RSTWXPJPNMOCHI-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000239433089 521137299 /nfs/dbraw/zinc/13/72/99/521137299.db2.gz XEUBJIMTTAHGPC-JHFLGZDMSA-N -1 0 361.526 4.379 50 0 FIAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)c1 ZINC000095375741 570457345 /nfs/dbraw/zinc/45/73/45/570457345.db2.gz QBMZNTZABVQJLV-INIZCTEOSA-N -1 0 366.442 4.014 50 0 FIAARM CCCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000002858521 570539275 /nfs/dbraw/zinc/53/92/75/570539275.db2.gz MALKDTPCWGTZCA-UHFFFAOYSA-N -1 0 367.854 4.182 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2)n(-c2nc(-c3cccc(O)c3)cs2)n1 ZINC000033435786 570551707 /nfs/dbraw/zinc/55/17/07/570551707.db2.gz XXBRJJBHWWZAJP-UHFFFAOYSA-N -1 0 363.398 4.067 50 0 FIAARM Cc1ccccc1N(C)C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920500 570561080 /nfs/dbraw/zinc/56/10/80/570561080.db2.gz HODBZZJJLIGRMB-UHFFFAOYSA-N -1 0 356.809 4.033 50 0 FIAARM O=[P@]([O-])(O[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccccc1 ZINC000004195032 570580892 /nfs/dbraw/zinc/58/08/92/570580892.db2.gz ONUIZSVRXOWIGP-CYBMUJFWSA-N -1 0 350.660 4.471 50 0 FIAARM O=C([O-])c1cc(CSc2nc3ccccc3s2)c2c(c1)COCO2 ZINC000011945281 570602974 /nfs/dbraw/zinc/60/29/74/570602974.db2.gz GSZMGLYMIRTKDW-UHFFFAOYSA-N -1 0 359.428 4.153 50 0 FIAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000004825771 570608797 /nfs/dbraw/zinc/60/87/97/570608797.db2.gz KCBOJZHOVDMTAF-UHFFFAOYSA-N -1 0 355.777 4.209 50 0 FIAARM CCCc1cc2c(cc1O[C@H](C)C(=O)[O-])oc(=O)cc2-c1ccccc1 ZINC000005554512 570630813 /nfs/dbraw/zinc/63/08/13/570630813.db2.gz WSRJTPDVTHDDLA-CYBMUJFWSA-N -1 0 352.386 4.264 50 0 FIAARM COc1ccc(Br)cc1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000006701148 570652231 /nfs/dbraw/zinc/65/22/31/570652231.db2.gz REMKOFDKMIPQJN-UHFFFAOYSA-N -1 0 370.630 4.421 50 0 FIAARM CC1(C)CC(=O)c2c([O-])c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1 ZINC000006394414 570646524 /nfs/dbraw/zinc/64/65/24/570646524.db2.gz KRRMSSNFWTWVAT-UHFFFAOYSA-N -1 0 359.425 4.365 50 0 FIAARM CCCCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1 ZINC000002765020 570670461 /nfs/dbraw/zinc/67/04/61/570670461.db2.gz QIGREPLCBXHBKV-UHFFFAOYSA-N -1 0 369.490 4.075 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000005601165 570680150 /nfs/dbraw/zinc/68/01/50/570680150.db2.gz UMICSKDLAZJQQS-GJZGRUSLSA-N -1 0 358.463 4.256 50 0 FIAARM COc1ccc(Cl)c2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc21 ZINC000008864624 570686250 /nfs/dbraw/zinc/68/62/50/570686250.db2.gz QNSWWRHLDNSFAD-UHFFFAOYSA-N -1 0 368.867 4.068 50 0 FIAARM O=C([O-])c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396043 570741687 /nfs/dbraw/zinc/74/16/87/570741687.db2.gz QCZOIKZFOPBCNO-UHFFFAOYSA-N -1 0 363.348 4.395 50 0 FIAARM CC(C)Oc1c(Br)cc(/C=C/C(=O)[O-])cc1Br ZINC000012394688 570741807 /nfs/dbraw/zinc/74/18/07/570741807.db2.gz QHPSMOMFVVXVFT-ONEGZZNKSA-N -1 0 364.033 4.097 50 0 FIAARM COc1cccc(-c2nc3ccccc3c(N3C[C@@H](C)C[C@H](C)C3)n2)c1[O-] ZINC000013127748 570774144 /nfs/dbraw/zinc/77/41/44/570774144.db2.gz FXGZOASXLBHBHB-GJZGRUSLSA-N -1 0 363.461 4.493 50 0 FIAARM CN(c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)C1CCCCC1 ZINC000583652091 570812507 /nfs/dbraw/zinc/81/25/07/570812507.db2.gz YGGLJKGNLFCKBL-UHFFFAOYSA-N -1 0 352.434 4.406 50 0 FIAARM O=C([O-])/C(=C\c1ccccc1OCc1ccccc1)NC(=O)c1ccccc1 ZINC000004526081 570818107 /nfs/dbraw/zinc/81/81/07/570818107.db2.gz NPDLEOREOPQTOA-HMMYKYKNSA-N -1 0 373.408 4.121 50 0 FIAARM Cc1ccc2c(c1)C(=C([O-])C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N2 ZINC000102726510 570836503 /nfs/dbraw/zinc/83/65/03/570836503.db2.gz ZRZABZWOWKXPMT-CCEZHUSRSA-N -1 0 363.200 4.162 50 0 FIAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC(Cc4ccccc4)CC3)c12 ZINC000020327625 570878023 /nfs/dbraw/zinc/87/80/23/570878023.db2.gz RGRFRPZCPWWPSK-UHFFFAOYSA-N -1 0 367.474 4.157 50 0 FIAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NC(=O)Cc1cccs1 ZINC000045967564 570917884 /nfs/dbraw/zinc/91/78/84/570917884.db2.gz SVXCYALGAXDJJC-UHFFFAOYSA-N -1 0 358.463 4.008 50 0 FIAARM CCCCN(CC)c1ccc(NC(=O)Cc2cccs2)c(C(=O)[O-])c1 ZINC000045967570 570917888 /nfs/dbraw/zinc/91/78/88/570917888.db2.gz HBOYOXWOUSOURO-UHFFFAOYSA-N -1 0 360.479 4.254 50 0 FIAARM Cc1ccccc1-n1nc(-c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000025762740 571000126 /nfs/dbraw/zinc/00/01/26/571000126.db2.gz AQGKKQBMXIIJLW-UHFFFAOYSA-N -1 0 357.207 4.308 50 0 FIAARM CCCN(CCC)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053380 571062366 /nfs/dbraw/zinc/06/23/66/571062366.db2.gz MBMMGHWUSOUIOD-UHFFFAOYSA-N -1 0 370.449 4.272 50 0 FIAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1nc(-c2cccc(O)c2)cs1 ZINC000001415885 571067909 /nfs/dbraw/zinc/06/79/09/571067909.db2.gz JMQYFVYZRAVURE-UHFFFAOYSA-N -1 0 363.398 4.067 50 0 FIAARM Cc1cc2cc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)ccc2[nH]1 ZINC000040108737 571078659 /nfs/dbraw/zinc/07/86/59/571078659.db2.gz ZEXJXWNUFQHRML-UHFFFAOYSA-N -1 0 350.403 4.040 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)n[nH]1 ZINC000009686560 571116979 /nfs/dbraw/zinc/11/69/79/571116979.db2.gz QFRYLCCGBRLCHA-UHFFFAOYSA-N -1 0 371.846 4.040 50 0 FIAARM Cc1ccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035142032 571119638 /nfs/dbraw/zinc/11/96/38/571119638.db2.gz HWPYXNZTJGFSAT-XJKSGUPXSA-N -1 0 359.853 4.475 50 0 FIAARM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000165649666 571145088 /nfs/dbraw/zinc/14/50/88/571145088.db2.gz YXGCAMANGUJGFT-VBKZILBWSA-N -1 0 365.429 4.169 50 0 FIAARM CCOc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C)cc1C ZINC000072414298 571158859 /nfs/dbraw/zinc/15/88/59/571158859.db2.gz DLJSBSPDWYGCBZ-UHFFFAOYSA-N -1 0 356.447 4.051 50 0 FIAARM CC1(C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2c(Cl)cccc21 ZINC000004720657 571169184 /nfs/dbraw/zinc/16/91/84/571169184.db2.gz SYLNMCYSTZGDKV-MRXNPFEDSA-N -1 0 355.821 4.417 50 0 FIAARM Cc1cc(N2CC[C@H](c3ccccc3C(=O)[O-])C2)nc(-c2ccccc2)n1 ZINC000072161266 571175741 /nfs/dbraw/zinc/17/57/41/571175741.db2.gz BJHSSPMIGWQGNO-KRWDZBQOSA-N -1 0 359.429 4.144 50 0 FIAARM COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl ZINC000006315699 571177327 /nfs/dbraw/zinc/17/73/27/571177327.db2.gz VAKUHFHNLLZTTB-UHFFFAOYSA-N -1 0 369.870 4.281 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(O)c2)C1 ZINC000040161458 571185900 /nfs/dbraw/zinc/18/59/00/571185900.db2.gz GWYZUYUEOZZMJM-GDNBJRDFSA-N -1 0 360.413 4.015 50 0 FIAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000003623686 571186150 /nfs/dbraw/zinc/18/61/50/571186150.db2.gz HZBPDBPQYSPRDM-LJQANCHMSA-N -1 0 355.434 4.038 50 0 FIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)n[nH]1 ZINC000075467623 571188247 /nfs/dbraw/zinc/18/82/47/571188247.db2.gz NOXCJMSDBBYQME-UHFFFAOYSA-N -1 0 365.455 4.003 50 0 FIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072431186 571195666 /nfs/dbraw/zinc/19/56/66/571195666.db2.gz RHVOWNIPUKLGCD-INIZCTEOSA-N -1 0 373.815 4.428 50 0 FIAARM O=C([O-])c1ccc(-c2cccc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)c2)nc1 ZINC000426470807 571226813 /nfs/dbraw/zinc/22/68/13/571226813.db2.gz QKCNRYLDFLAXSQ-KXBFYZLASA-N -1 0 364.445 4.099 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006930116 571254843 /nfs/dbraw/zinc/25/48/43/571254843.db2.gz QQEMDOYTUKZGJU-UHFFFAOYSA-N -1 0 370.474 4.246 50 0 FIAARM CC(C)(CC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)C(=O)[O-] ZINC000169987509 571260311 /nfs/dbraw/zinc/26/03/11/571260311.db2.gz NESYGJOGHZXKQX-UHFFFAOYSA-N -1 0 369.446 4.154 50 0 FIAARM O=C([O-])c1ccc(N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 ZINC000006103242 571271292 /nfs/dbraw/zinc/27/12/92/571271292.db2.gz AEAPRFCJDOSCGL-HASPRUBHSA-N -1 0 367.451 4.347 50 0 FIAARM Cc1c2ccc(OCc3ccc4ccccc4c3)cc2oc(=O)c1CC(=O)[O-] ZINC000002327157 571318120 /nfs/dbraw/zinc/31/81/20/571318120.db2.gz HDQHVXSKGPCCNE-UHFFFAOYSA-N -1 0 374.392 4.461 50 0 FIAARM CC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000095465018 571330372 /nfs/dbraw/zinc/33/03/72/571330372.db2.gz ALRVDSCTFDOHBZ-UHFFFAOYSA-N -1 0 374.190 4.356 50 0 FIAARM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000096013476 571333984 /nfs/dbraw/zinc/33/39/84/571333984.db2.gz WAVMVMSQKOPJND-CQSZACIVSA-N -1 0 362.470 4.131 50 0 FIAARM O=S(=O)([N-]c1cc(Cl)ccc1N1CCCCC1)c1cccs1 ZINC000003452752 571349979 /nfs/dbraw/zinc/34/99/79/571349979.db2.gz ORGNRSIXAIRUBX-UHFFFAOYSA-N -1 0 356.900 4.193 50 0 FIAARM C[C@H]1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000227731904 939043839 /nfs/dbraw/zinc/04/38/39/939043839.db2.gz BGHLFNKMTFSTHH-FPTDNZKUSA-N -1 0 365.429 4.169 50 0 FIAARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Cl)c1OC ZINC000254398419 1086285102 /nfs/dbraw/zinc/28/51/02/1086285102.db2.gz OQEKDBNJRDOVQV-UHFFFAOYSA-N -1 0 374.853 4.160 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(OC)c2)C1 ZINC000005131354 1086540568 /nfs/dbraw/zinc/54/05/68/1086540568.db2.gz BAPDPELWEWWYDN-LFIBNONCSA-N -1 0 374.440 4.318 50 0 FIAARM CCOC(=O)c1cnc2ccccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000090646 219304361 /nfs/dbraw/zinc/30/43/61/219304361.db2.gz CMAHIRRDRLDHBA-UHFFFAOYSA-N -1 0 350.374 4.162 50 0 FIAARM CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000080998 219304926 /nfs/dbraw/zinc/30/49/26/219304926.db2.gz YRIAFHAAAPIKCE-UHFFFAOYSA-N -1 0 350.374 4.162 50 0 FIAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000988872 219350292 /nfs/dbraw/zinc/35/02/92/219350292.db2.gz WMCYTMPFDKDIIY-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)cc1OCC ZINC000001067232 219362922 /nfs/dbraw/zinc/36/29/22/219362922.db2.gz HQFXJVKVUKNMKW-UHFFFAOYSA-N -1 0 369.870 4.247 50 0 FIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000001088087 219367638 /nfs/dbraw/zinc/36/76/38/219367638.db2.gz VOGOUPLBJAAZCF-UHFFFAOYSA-N -1 0 366.442 4.048 50 0 FIAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001113872 219371104 /nfs/dbraw/zinc/37/11/04/219371104.db2.gz ZMWCEFDKIXEZQP-UHFFFAOYSA-N -1 0 359.234 4.310 50 0 FIAARM Cc1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cccc1C(=O)[O-] ZINC000001217192 219390630 /nfs/dbraw/zinc/39/06/30/219390630.db2.gz RUIGYZYGBGAXNH-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000001216882 219390762 /nfs/dbraw/zinc/39/07/62/219390762.db2.gz ICJAFOSJFDYVJF-UHFFFAOYSA-N -1 0 374.824 4.275 50 0 FIAARM CCc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000225495743 222846220 /nfs/dbraw/zinc/84/62/20/222846220.db2.gz ZWCDILGCAMKTNC-FQEVSTJZSA-N -1 0 364.445 4.182 50 0 FIAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC000002578585 219449780 /nfs/dbraw/zinc/44/97/80/219449780.db2.gz ZPLSFORKBASRNA-UHFFFAOYSA-N -1 0 365.429 4.313 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002767465 219463780 /nfs/dbraw/zinc/46/37/80/219463780.db2.gz NUNMZPXTDKBXAC-STQMWFEESA-N -1 0 362.838 4.069 50 0 FIAARM CC(=O)Nc1cccc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000002873508 219472152 /nfs/dbraw/zinc/47/21/52/219472152.db2.gz MXQDKISTHMSNMF-UHFFFAOYSA-N -1 0 353.403 4.210 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000003786192 219525196 /nfs/dbraw/zinc/52/51/96/219525196.db2.gz MLKXDPUZXIRXEP-WXKFDZDZSA-N -1 0 356.418 4.366 50 0 fda FIAARM O=C([N-][C@@H](c1ccccc1)c1ccc(Br)cc1)C(F)(F)F ZINC000004996984 219635689 /nfs/dbraw/zinc/63/56/89/219635689.db2.gz BGTAFWPEHRQHHF-ZDUSSCGKSA-N -1 0 358.157 4.217 50 0 FIAARM CCOc1ccc(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000005199501 219660776 /nfs/dbraw/zinc/66/07/76/219660776.db2.gz GKKSAIQPBBCBQK-AWEZNQCLSA-N -1 0 361.825 4.011 50 0 FIAARM O=S(=O)(C=C([O-])c1cc2ccccc2o1)c1ccc2ccccc2c1 ZINC000009146273 219875246 /nfs/dbraw/zinc/87/52/46/219875246.db2.gz FHRPEJPVAUIHCZ-UHFFFAOYSA-N -1 0 350.395 4.243 50 0 FIAARM Cc1cccc([C@H](Nc2ccc(Br)cc2)[P@@](=O)([O-])O)c1 ZINC000012526545 220002796 /nfs/dbraw/zinc/00/27/96/220002796.db2.gz URVKHGHUVVNAIZ-CQSZACIVSA-N -1 0 356.156 4.046 50 0 FIAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000012736384 220022848 /nfs/dbraw/zinc/02/28/48/220022848.db2.gz NQCIBCWVBIPOIK-NSHDSACASA-N -1 0 356.180 4.330 50 0 FIAARM O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000012736386 220022193 /nfs/dbraw/zinc/02/21/93/220022193.db2.gz NQCIBCWVBIPOIK-LLVKDONJSA-N -1 0 356.180 4.330 50 0 FIAARM CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc21 ZINC000013253436 220061888 /nfs/dbraw/zinc/06/18/88/220061888.db2.gz LKDILFQDXLKRLR-IRXDYDNUSA-N -1 0 362.429 4.420 50 0 FIAARM O=C([O-])C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000013167079 220061486 /nfs/dbraw/zinc/06/14/86/220061486.db2.gz CYSLPDSQSULOLF-UHFFFAOYSA-N -1 0 358.246 4.145 50 0 FIAARM O=C([O-])Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013439880 220066910 /nfs/dbraw/zinc/06/69/10/220066910.db2.gz LKLDAFDOKSRJCA-UHFFFAOYSA-N -1 0 359.425 4.474 50 0 FIAARM O=c1[nH]c(=S)[n-]c2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000013712322 220087968 /nfs/dbraw/zinc/08/79/68/220087968.db2.gz QMXNOVONJRCDNX-UHFFFAOYSA-N -1 0 351.456 4.351 50 0 FIAARM Cc1cccc(-c2nc3nc(C)cc(Nc4cc(C(=O)[O-])ccc4C)n3n2)c1 ZINC000015785051 220164883 /nfs/dbraw/zinc/16/48/83/220164883.db2.gz XEJXBMANTILXDU-UHFFFAOYSA-N -1 0 373.416 4.158 50 0 FIAARM CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000016153976 220179677 /nfs/dbraw/zinc/17/96/77/220179677.db2.gz GVJDNLQIPOIDEF-UHFFFAOYSA-N -1 0 370.908 4.472 50 0 FIAARM O=C([O-])/C=C\c1cc(Br)ccc1OCc1ccccc1F ZINC000016771359 220193731 /nfs/dbraw/zinc/19/37/31/220193731.db2.gz SOJFUILFWNJLKR-YVMONPNESA-N -1 0 351.171 4.265 50 0 FIAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000018222722 220228855 /nfs/dbraw/zinc/22/88/55/220228855.db2.gz WHNQWOYWLATTDK-UHFFFAOYSA-N -1 0 365.820 4.327 50 0 FIAARM CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O ZINC000018266649 220228917 /nfs/dbraw/zinc/22/89/17/220228917.db2.gz LLYSVYJICLFJFH-UHFFFAOYSA-N -1 0 351.454 4.115 50 0 FIAARM COc1ccc(Nc2c(C(=O)[O-])cnc3ccc(Cl)cc32)cc1Cl ZINC000019793871 220296455 /nfs/dbraw/zinc/29/64/55/220296455.db2.gz MVBBFBOKKPUDBD-UHFFFAOYSA-N -1 0 363.200 4.414 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cc(Cl)sc1Cl ZINC000020627407 220337817 /nfs/dbraw/zinc/33/78/17/220337817.db2.gz FROIMVCLTWMELC-UHFFFAOYSA-N -1 0 374.217 4.457 50 0 FIAARM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1 ZINC000022608982 220390523 /nfs/dbraw/zinc/39/05/23/220390523.db2.gz DAYJRWXNUOOFRL-UHFFFAOYSA-N -1 0 365.760 4.082 50 0 FIAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccc(F)cc3n2)ccc1O ZINC000031855820 220647916 /nfs/dbraw/zinc/64/79/16/220647916.db2.gz XWCFBLOBWUWASZ-ZZXKWVIFSA-N -1 0 353.349 4.347 50 0 FIAARM CC(=O)Nc1c(C)ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1C ZINC000055151217 221060223 /nfs/dbraw/zinc/06/02/23/221060223.db2.gz JAZDKJDOSGKQOB-UHFFFAOYSA-N -1 0 360.454 4.016 50 0 FIAARM Cc1ccc(CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C2CC2)cc1 ZINC000058434311 221119204 /nfs/dbraw/zinc/11/92/04/221119204.db2.gz SBZIRNAZGOVLQC-UHFFFAOYSA-N -1 0 365.458 4.111 50 0 FIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1-c1ccno1 ZINC000064845084 221153679 /nfs/dbraw/zinc/15/36/79/221153679.db2.gz LWCBQOBOMCYUSK-UHFFFAOYSA-N -1 0 362.476 4.438 50 0 FIAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)cn21 ZINC000065183500 221175093 /nfs/dbraw/zinc/17/50/93/221175093.db2.gz XUTZJFDGXYLIQK-UHFFFAOYSA-N -1 0 363.508 4.191 50 0 FIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)c1C ZINC000065031350 221165010 /nfs/dbraw/zinc/16/50/10/221165010.db2.gz RCDVZPXTVMOOBE-UHFFFAOYSA-N -1 0 366.439 4.268 50 0 FIAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000065112418 221169438 /nfs/dbraw/zinc/16/94/38/221169438.db2.gz NLWMTGQXQDNIOF-UHFFFAOYSA-N -1 0 361.492 4.049 50 0 FIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000068740865 221318217 /nfs/dbraw/zinc/31/82/17/221318217.db2.gz XDSFGQUFXSJNLD-UHFFFAOYSA-N -1 0 358.232 4.006 50 0 FIAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(F)cc2)C1 ZINC000064820390 136133836 /nfs/dbraw/zinc/13/38/36/136133836.db2.gz AMXCFOTZCIHZSH-CYBMUJFWSA-N -1 0 356.397 4.013 50 0 FIAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)c1 ZINC000095374971 221877784 /nfs/dbraw/zinc/87/77/84/221877784.db2.gz VEZJNMQAIPGLLD-AWEZNQCLSA-N -1 0 361.800 4.197 50 0 FIAARM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000095459311 221910428 /nfs/dbraw/zinc/91/04/28/221910428.db2.gz HENXMFXTEPNZKH-GTNSWQLSSA-N -1 0 372.446 4.005 50 0 FIAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cc(F)cc(F)c1 ZINC000096170733 222067522 /nfs/dbraw/zinc/06/75/22/222067522.db2.gz UJQZGHSRCBWTOH-UHFFFAOYSA-N -1 0 371.714 4.438 50 0 FIAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1ccc2ccccc2c1 ZINC000096792820 222130584 /nfs/dbraw/zinc/13/05/84/222130584.db2.gz OMHARSSZTUBKMB-ATVHPVEESA-N -1 0 368.392 4.192 50 0 FIAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100464274 222245823 /nfs/dbraw/zinc/24/58/23/222245823.db2.gz IMEYTFQXOKJEJQ-UHFFFAOYSA-N -1 0 370.836 4.269 50 0 FIAARM CCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100680279 222249216 /nfs/dbraw/zinc/24/92/16/222249216.db2.gz XTXSHGSIOFUUQA-UHFFFAOYSA-N -1 0 370.836 4.413 50 0 FIAARM COc1ccccc1-c1c(C)[n-]n2c1nc(C)c(Cc1ccccc1)c2=O ZINC000101821604 222285059 /nfs/dbraw/zinc/28/50/59/222285059.db2.gz WVUUSQPISVJKEN-UHFFFAOYSA-N -1 0 359.429 4.318 50 0 FIAARM O=C([O-])CCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000022135454 263384887 /nfs/dbraw/zinc/38/48/87/263384887.db2.gz KLPSYWMJSIBEPS-UHFFFAOYSA-N -1 0 358.444 4.115 50 0 FIAARM Cc1cc(C)cc(N[C@H](c2ccc(OC(F)F)cc2)[P@@](=O)([O-])O)c1 ZINC000024769731 568095744 /nfs/dbraw/zinc/09/57/44/568095744.db2.gz ONEQRTZDJVTDFG-HNNXBMFYSA-N -1 0 357.293 4.193 50 0 FIAARM COc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2)cc1 ZINC000218501056 568236888 /nfs/dbraw/zinc/23/68/88/568236888.db2.gz CHCATMKWPPDXAY-IBGZPJMESA-N -1 0 367.445 4.222 50 0 FIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccc2c(c1)CCCC2 ZINC000072301040 570492480 /nfs/dbraw/zinc/49/24/80/570492480.db2.gz JYOKBQLNXCMACC-UHFFFAOYSA-N -1 0 371.380 4.091 50 0 FIAARM CC(C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002562458 570524744 /nfs/dbraw/zinc/52/47/44/570524744.db2.gz UJOQOPBFLFQOJJ-HXUWFJFHSA-N -1 0 367.445 4.415 50 0 FIAARM CC(C)(C)c1nc([C@H](Cc2ccccc2)C(=O)[O-])n(Cc2ccccc2)n1 ZINC000072233820 570535781 /nfs/dbraw/zinc/53/57/81/570535781.db2.gz FVATVXHMWLVYKH-SFHVURJKSA-N -1 0 363.461 4.035 50 0 FIAARM Cc1nc2ccccn2c1-c1csc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000002878789 570542038 /nfs/dbraw/zinc/54/20/38/570542038.db2.gz LCFLWBKMPAEBNO-UHFFFAOYSA-N -1 0 350.403 4.208 50 0 FIAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000003263809 570556036 /nfs/dbraw/zinc/55/60/36/570556036.db2.gz QJWDWQLZCIKSHY-UHFFFAOYSA-N -1 0 359.385 4.103 50 0 FIAARM COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000003885006 570570269 /nfs/dbraw/zinc/57/02/69/570570269.db2.gz ITWSNYABEWGWGX-SDNWHVSQSA-N -1 0 361.397 4.437 50 0 FIAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC000004669010 570600176 /nfs/dbraw/zinc/60/01/76/570600176.db2.gz HNNBHXOCKBCHSR-OQLLNIDSSA-N -1 0 373.817 4.275 50 0 FIAARM CC1(C)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC[C@]1(C)C(=O)[O-] ZINC000004951536 570614747 /nfs/dbraw/zinc/61/47/47/570614747.db2.gz MXGLQOFTKFXYIA-MLGOLLRUSA-N -1 0 359.344 4.051 50 0 FIAARM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1 ZINC000002755573 570671357 /nfs/dbraw/zinc/67/13/57/570671357.db2.gz PYGFRBBCEZDWEQ-UHFFFAOYSA-N -1 0 359.259 4.404 50 0 FIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000002767464 570672222 /nfs/dbraw/zinc/67/22/22/570672222.db2.gz NUNMZPXTDKBXAC-CHWSQXEVSA-N -1 0 362.838 4.069 50 0 FIAARM O=C([O-])c1cnn2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)F ZINC000002775004 570672499 /nfs/dbraw/zinc/67/24/99/570672499.db2.gz LRRJKULCUAPSBB-UHFFFAOYSA-N -1 0 358.131 4.339 50 0 FIAARM Cc1cc(C)c2c(N)c(-c3n[n-]c(=S)n3-c3ccccc3)sc2n1 ZINC000008382971 570681222 /nfs/dbraw/zinc/68/12/22/570681222.db2.gz IGDHNWPCOXVVII-UHFFFAOYSA-N -1 0 353.476 4.406 50 0 FIAARM Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)[O-])ccc21 ZINC000012436958 570745094 /nfs/dbraw/zinc/74/50/94/570745094.db2.gz GXBPBSHYJLCNRT-RGEXLXHISA-N -1 0 370.408 4.187 50 0 FIAARM O=C([O-])c1cc(Br)ccc1NC(=O)CCC1CCCCC1 ZINC000004824066 570775076 /nfs/dbraw/zinc/77/50/76/570775076.db2.gz VRPCUSDPRBVDQL-UHFFFAOYSA-N -1 0 354.244 4.446 50 0 FIAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000032754904 570794353 /nfs/dbraw/zinc/79/43/53/570794353.db2.gz USKJNAUUZUVDEJ-UHFFFAOYSA-N -1 0 351.427 4.357 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000004581484 570849982 /nfs/dbraw/zinc/84/99/82/570849982.db2.gz OPPZRSXPWMXART-LJQANCHMSA-N -1 0 367.832 4.368 50 0 FIAARM C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047188593 570881670 /nfs/dbraw/zinc/88/16/70/570881670.db2.gz QNAORRSSHGQACD-JTQLQIEISA-N -1 0 373.865 4.012 50 0 FIAARM COc1ccccc1-n1nc(-c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000025763530 571000164 /nfs/dbraw/zinc/00/01/64/571000164.db2.gz ZBGCAJXQUPDINR-UHFFFAOYSA-N -1 0 373.206 4.009 50 0 FIAARM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1F ZINC000028260061 571028662 /nfs/dbraw/zinc/02/86/62/571028662.db2.gz NDLVWBNBSJWNNX-UHFFFAOYSA-N -1 0 371.380 4.226 50 0 FIAARM COc1ccc(-n2nc(C)c3sc([C@H]4CCC[C@H](C(=O)[O-])C4)nc32)cc1 ZINC000032918834 571060314 /nfs/dbraw/zinc/06/03/14/571060314.db2.gz IXVBQRMTQVQOBH-STQMWFEESA-N -1 0 371.462 4.157 50 0 FIAARM O=C([O-])c1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1 ZINC000008848150 571063232 /nfs/dbraw/zinc/06/32/32/571063232.db2.gz MKUJYPYQOLPFNO-UHFFFAOYSA-N -1 0 361.423 4.411 50 0 FIAARM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1 ZINC000009250839 571102434 /nfs/dbraw/zinc/10/24/34/571102434.db2.gz WZOVHIGFGLAKFG-UHFFFAOYSA-N -1 0 363.398 4.076 50 0 FIAARM COC(=O)c1c(SCc2cccc(Cl)c2)[n-]c2ccccc2c1=O ZINC000009300295 571103408 /nfs/dbraw/zinc/10/34/08/571103408.db2.gz VQDDIEYUEHMWAS-UHFFFAOYSA-N -1 0 359.834 4.260 50 0 FIAARM O=c1nn[n-]c2c1sc1nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 ZINC000001017322 571143114 /nfs/dbraw/zinc/14/31/14/571143114.db2.gz TWCUKEKJWLGOFP-UHFFFAOYSA-N -1 0 372.409 4.366 50 0 FIAARM CC1(C)C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2Cc2c(Cl)cccc21 ZINC000004720658 571169166 /nfs/dbraw/zinc/16/91/66/571169166.db2.gz SYLNMCYSTZGDKV-INIZCTEOSA-N -1 0 355.821 4.417 50 0 FIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000075436363 571178588 /nfs/dbraw/zinc/17/85/88/571178588.db2.gz SAUFZYGSZWKRAT-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006328395 571180694 /nfs/dbraw/zinc/18/06/94/571180694.db2.gz MUWGWBFHOKPEPY-UHFFFAOYSA-N -1 0 353.871 4.447 50 0 FIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000003624683 571186127 /nfs/dbraw/zinc/18/61/27/571186127.db2.gz AYULTRPGSKOZKK-UZLBHIALSA-N -1 0 369.461 4.300 50 0 FIAARM Cc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000003626639 571186274 /nfs/dbraw/zinc/18/62/74/571186274.db2.gz HBVMXVNEANDPAO-GOSISDBHSA-N -1 0 369.461 4.004 50 0 FIAARM CC(C)c1ccc(Sc2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000073665945 571200951 /nfs/dbraw/zinc/20/09/51/571200951.db2.gz VGULCALKELGSNO-HNNXBMFYSA-N -1 0 357.479 4.052 50 0 FIAARM Cc1ccccc1OC1(C(=O)[O-])CCN(c2nc3ccccc3s2)CC1 ZINC000082107667 571228339 /nfs/dbraw/zinc/22/83/39/571228339.db2.gz QCKWJBPDTXLQEA-UHFFFAOYSA-N -1 0 368.458 4.107 50 0 FIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)s1 ZINC000065003878 571250058 /nfs/dbraw/zinc/25/00/58/571250058.db2.gz IIIVQCJWVAEGDH-UHFFFAOYSA-N -1 0 362.476 4.383 50 0 FIAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004053 571250198 /nfs/dbraw/zinc/25/01/98/571250198.db2.gz MCCXBNYVFKZWFB-UHFFFAOYSA-N -1 0 364.423 4.220 50 0 FIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000006887734 571253290 /nfs/dbraw/zinc/25/32/90/571253290.db2.gz GCAJWZZUDSFIHZ-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM Cc1ccc(-c2nnc(NC(=O)c3c([O-])cc(F)cc3F)s2)c(C)c1 ZINC000066054135 571289972 /nfs/dbraw/zinc/28/99/72/571289972.db2.gz OKQLDIMOYJUDGE-UHFFFAOYSA-N -1 0 361.373 4.058 50 0 FIAARM O=c1nc(-c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)[n-]o1 ZINC000002571245 571339087 /nfs/dbraw/zinc/33/90/87/571339087.db2.gz LPNUEUHUWVJRFV-UHFFFAOYSA-N -1 0 357.675 4.302 50 0 FIAARM CCOC(CCn1c(=O)c2sc3ccccc3c2[n-]c1=S)OCC ZINC000002961710 571342996 /nfs/dbraw/zinc/34/29/96/571342996.db2.gz RGTJUEKJKMUKLP-UHFFFAOYSA-N -1 0 364.492 4.063 50 0 FIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC000003334888 571347641 /nfs/dbraw/zinc/34/76/41/571347641.db2.gz WXZXRSDEMDEXMG-UHFFFAOYSA-N -1 0 367.426 4.482 50 0 FIAARM c1sc([N-]c2nc3cc4c(cc3s2)OCO4)nc1-c1ccccn1 ZINC000004061307 571354588 /nfs/dbraw/zinc/35/45/88/571354588.db2.gz SHGZXMJKDIJLNC-UHFFFAOYSA-N -1 0 354.416 4.287 50 0 FIAARM CCN(C(=O)Cc1c2ccccc2n(CC)c1C(=O)[O-])c1ccccc1C ZINC000004116202 571355539 /nfs/dbraw/zinc/35/55/39/571355539.db2.gz WMRJMWOIZFMKBK-UHFFFAOYSA-N -1 0 364.445 4.263 50 0 FIAARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)s1 ZINC000008131951 571359324 /nfs/dbraw/zinc/35/93/24/571359324.db2.gz HCJWGULAMXRSDN-UHFFFAOYSA-N -1 0 374.217 4.457 50 0 FIAARM O=C1N=C(c2c(=O)oc3ccccc3c2[O-])C(c2cc3ccccc3o2)N1 ZINC000888089792 1086573773 /nfs/dbraw/zinc/57/37/73/1086573773.db2.gz IDKZFSBXOAGREC-UHFFFAOYSA-N -1 0 360.325 4.008 50 0 FIAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 ZINC000000754791 219317620 /nfs/dbraw/zinc/31/76/20/219317620.db2.gz VXLNBLVSWQUHFN-QZNJRLLKSA-N -1 0 369.420 4.233 50 0 FIAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 ZINC000000754794 219317813 /nfs/dbraw/zinc/31/78/13/219317813.db2.gz VXLNBLVSWQUHFN-XABBQPORSA-N -1 0 369.420 4.233 50 0 FIAARM Cc1ccc2nc(-c3ccc(NC(=O)CCCC(=O)[O-])cc3)sc2c1 ZINC000000830906 219327432 /nfs/dbraw/zinc/32/74/32/219327432.db2.gz SUWRHQOGIWHSDJ-UHFFFAOYSA-N -1 0 354.431 4.465 50 0 FIAARM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1 ZINC000000885223 219336909 /nfs/dbraw/zinc/33/69/09/219336909.db2.gz IWZLOIAVWMAQKN-JTVPBKEVSA-N -1 0 372.420 4.490 50 0 FIAARM Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000001118138 219373139 /nfs/dbraw/zinc/37/31/39/219373139.db2.gz MADKRWIDCYAXIU-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM O=C([O-])c1cccc(-c2ccc(/C=C3/N=C(c4cccs4)OC3=O)o2)c1 ZINC000001122440 219374275 /nfs/dbraw/zinc/37/42/75/219374275.db2.gz KGNMHEIHURVWPS-GXDHUFHOSA-N -1 0 365.366 4.051 50 0 FIAARM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000001137072 219378080 /nfs/dbraw/zinc/37/80/80/219378080.db2.gz YVKIOOCKWBNYCX-UHFFFAOYSA-N -1 0 366.653 4.456 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000001148617 219381802 /nfs/dbraw/zinc/38/18/02/219381802.db2.gz JFVITXOHHBCITP-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])n2)c(C)c1 ZINC000001199903 219388306 /nfs/dbraw/zinc/38/83/06/219388306.db2.gz LSTGYEAPORVPFO-LSDHHAIUSA-N -1 0 358.463 4.256 50 0 FIAARM CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000001202220 219388954 /nfs/dbraw/zinc/38/89/54/219388954.db2.gz GZZDPQFSLBIZLI-DJJJIMSYSA-N -1 0 358.463 4.276 50 0 FIAARM CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(F)cc1 ZINC000004920535 219624941 /nfs/dbraw/zinc/62/49/41/219624941.db2.gz ODJHHBXAQASMEG-UHFFFAOYSA-N -1 0 374.799 4.254 50 0 FIAARM Cc1ccc(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000005197581 219660925 /nfs/dbraw/zinc/66/09/25/219660925.db2.gz ARRASWWBPLATOR-AWEZNQCLSA-N -1 0 365.351 4.286 50 0 FIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000005702245 219695670 /nfs/dbraw/zinc/69/56/70/219695670.db2.gz VVBHIGABTYRXPZ-SOFGYWHQSA-N -1 0 352.308 4.391 50 0 FIAARM COc1ccccc1Cn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006420421 219730422 /nfs/dbraw/zinc/73/04/22/219730422.db2.gz GJRGIXXWTPNCQN-UHFFFAOYSA-N -1 0 358.488 4.056 50 0 FIAARM O=C([O-])c1coc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000307607426 223115271 /nfs/dbraw/zinc/11/52/71/223115271.db2.gz FJRPHUQMQXSZES-UHFFFAOYSA-N -1 0 363.369 4.017 50 0 FIAARM COc1cc(/C=C/c2nc3cc(C)ccc3s2)ccc1OCC(=O)[O-] ZINC000012757838 220025428 /nfs/dbraw/zinc/02/54/28/220025428.db2.gz ZOTVKAHYUWLJHM-VMPITWQZSA-N -1 0 355.415 4.247 50 0 FIAARM COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 ZINC000013123237 220058553 /nfs/dbraw/zinc/05/85/53/220058553.db2.gz ZHZIATMAWOILEL-UHFFFAOYSA-N -1 0 360.369 4.461 50 0 FIAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000013189132 220060969 /nfs/dbraw/zinc/06/09/69/220060969.db2.gz RNXWHRVPPSRWAQ-UHFFFAOYSA-N -1 0 371.336 4.014 50 0 FIAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3csc4ccccc34)nc(=O)c12 ZINC000014016367 220103106 /nfs/dbraw/zinc/10/31/06/220103106.db2.gz POIPTDDUVUBVMW-VOTSOKGWSA-N -1 0 368.439 4.376 50 0 FIAARM CC[C@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000014632506 220128210 /nfs/dbraw/zinc/12/82/10/220128210.db2.gz WJMBJZGTUSCZQK-JQFCIGGWSA-N -1 0 363.454 4.042 50 0 FIAARM COc1ccc(-c2c/c(=N\[C@@H](C(=O)[O-])C(C)C)c3cc(C)ccc3o2)cc1 ZINC000019792890 220297139 /nfs/dbraw/zinc/29/71/39/220297139.db2.gz BQLGNVPBNNGMTD-MFTRDONSSA-N -1 0 365.429 4.427 50 0 FIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020604397 220334774 /nfs/dbraw/zinc/33/47/74/220334774.db2.gz XDJATGWJGNHFTI-UHFFFAOYSA-N -1 0 361.323 4.323 50 0 FIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000020604458 220334788 /nfs/dbraw/zinc/33/47/88/220334788.db2.gz QQWXPMZPLLOPAD-UHFFFAOYSA-N -1 0 369.730 4.164 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c1 ZINC000021116740 220351922 /nfs/dbraw/zinc/35/19/22/220351922.db2.gz LXHSZOHWYYEIEH-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM COc1ccc(-n2nc(C)c3sc([C@@H]4CCC[C@@H](C(=O)[O-])C4)nc32)cc1 ZINC000032918828 220697980 /nfs/dbraw/zinc/69/79/80/220697980.db2.gz IXVBQRMTQVQOBH-CHWSQXEVSA-N -1 0 371.462 4.157 50 0 FIAARM CCCCCc1nnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000032833301 220686582 /nfs/dbraw/zinc/68/65/82/220686582.db2.gz DJYRUAUTASCFSO-UHFFFAOYSA-N -1 0 360.414 4.317 50 0 FIAARM Cc1cc(Br)cc2c(C(=O)[O-])cc(-c3ccc(N)cc3)nc12 ZINC000040451256 220908799 /nfs/dbraw/zinc/90/87/99/220908799.db2.gz BQSPALSZMYZCMD-UHFFFAOYSA-N -1 0 357.207 4.253 50 0 FIAARM O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc([O-])c(Cl)c1 ZINC000048374630 221012125 /nfs/dbraw/zinc/01/21/25/221012125.db2.gz HFQKQBJYAXZKSN-UHFFFAOYSA-N -1 0 372.783 4.302 50 0 FIAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 ZINC000049549091 221024817 /nfs/dbraw/zinc/02/48/17/221024817.db2.gz UYASMFDKXNQPSG-CQSZACIVSA-N -1 0 368.389 4.122 50 0 FIAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(F)cc2)cc1C ZINC000064757567 221151282 /nfs/dbraw/zinc/15/12/82/221151282.db2.gz WNXUYVDMKAQFDZ-UHFFFAOYSA-N -1 0 371.437 4.382 50 0 FIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)o2)on1 ZINC000064958451 221158957 /nfs/dbraw/zinc/15/89/57/221158957.db2.gz GMXSNKNRTKXURT-UHFFFAOYSA-N -1 0 352.799 4.006 50 0 FIAARM CCCCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c2cccnc21 ZINC000065242339 221185353 /nfs/dbraw/zinc/18/53/53/221185353.db2.gz LIXTZUBKBVIRJM-UHFFFAOYSA-N -1 0 361.442 4.085 50 0 FIAARM CCc1cccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)c1 ZINC000065242282 221185631 /nfs/dbraw/zinc/18/56/31/221185631.db2.gz IQNWCEPUYUZXAF-UHFFFAOYSA-N -1 0 357.479 4.056 50 0 FIAARM Cc1ccc([C@H](C)N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)s1 ZINC000069119012 221321158 /nfs/dbraw/zinc/32/11/58/221321158.db2.gz GVQDOKTXWDHJCW-JTQLQIEISA-N -1 0 359.476 4.201 50 0 FIAARM Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072161297 221437222 /nfs/dbraw/zinc/43/72/22/221437222.db2.gz SNJLCWLVZXSBCW-OAHLLOKOSA-N -1 0 363.413 4.378 50 0 FIAARM Cc1ccc(C(=O)Nc2ccc(N3CCC[C@@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000046053432 136122022 /nfs/dbraw/zinc/12/20/22/136122022.db2.gz GAKDIJMSVHKYCB-OAHLLOKOSA-N -1 0 352.434 4.182 50 0 FIAARM Cc1ccc(CC(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589210 136133486 /nfs/dbraw/zinc/13/34/86/136133486.db2.gz RMAZAKFESZHCSS-MRXNPFEDSA-N -1 0 366.461 4.111 50 0 FIAARM CCOc1ccc(-c2ccnc(-c3ccc(F)c(F)c3)n2)cc1C(=O)[O-] ZINC000077286749 221600224 /nfs/dbraw/zinc/60/02/24/221600224.db2.gz NKPWFSCMJIOQFX-UHFFFAOYSA-N -1 0 356.328 4.186 50 0 FIAARM O=C(N[C@H]1CC[C@H](C(=O)[O-])CC1)OCC1c2ccccc2-c2ccccc21 ZINC000100105556 222235451 /nfs/dbraw/zinc/23/54/51/222235451.db2.gz RIZQTCLNVHZQOO-GASCZTMLSA-N -1 0 365.429 4.169 50 0 FIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O ZINC000100498431 222245911 /nfs/dbraw/zinc/24/59/11/222245911.db2.gz GFAJSMNNGWQOAA-UHFFFAOYSA-N -1 0 350.418 4.068 50 0 FIAARM Cc1cccc(C)c1NC(=O)CCCC(=O)C=C([O-])c1ccc(F)cc1 ZINC000100721648 222250487 /nfs/dbraw/zinc/25/04/87/222250487.db2.gz YCDVRQCMUOUOHQ-UHFFFAOYSA-N -1 0 355.409 4.393 50 0 FIAARM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC(=O)[O-] ZINC000252695334 525351251 /nfs/dbraw/zinc/35/12/51/525351251.db2.gz YJPIDPAGJSWWBE-IHZGOTPNSA-N -1 0 372.461 4.025 50 0 biogenic FIAARM O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Br)c(F)c1 ZINC000095067926 570451346 /nfs/dbraw/zinc/45/13/46/570451346.db2.gz SMIAIMLUODNVGF-UHFFFAOYSA-N -1 0 364.623 4.042 50 0 FIAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)c1 ZINC000095373837 570457360 /nfs/dbraw/zinc/45/73/60/570457360.db2.gz HHJINSFGAROZCX-CQSZACIVSA-N -1 0 361.800 4.197 50 0 FIAARM CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576224 570502084 /nfs/dbraw/zinc/50/20/84/570502084.db2.gz QXVFEIPAZSXRGM-BFUOFWGJSA-N -1 0 353.418 4.024 50 0 FIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002091194 570514172 /nfs/dbraw/zinc/51/41/72/570514172.db2.gz NNOYFTHOJCHELA-UHFFFAOYSA-N -1 0 352.317 4.281 50 0 biogenic FIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 ZINC000002243707 570517537 /nfs/dbraw/zinc/51/75/37/570517537.db2.gz JGWHUIQSEKGLAQ-HXUWFJFHSA-N -1 0 365.429 4.169 50 0 FIAARM COc1ccccc1[C@H]1[C@@H](C(=O)[O-])c2ccccc2C(=O)N1C1CCCC1 ZINC000002585597 570526123 /nfs/dbraw/zinc/52/61/23/570526123.db2.gz IAWYODOZPPLOTK-PMACEKPBSA-N -1 0 365.429 4.003 50 0 FIAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002857578 570538722 /nfs/dbraw/zinc/53/87/22/570538722.db2.gz VYRTVMHMJMZOBH-UHFFFAOYSA-N -1 0 364.311 4.033 50 0 FIAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C2CCCC2)cc1 ZINC000003883489 570570242 /nfs/dbraw/zinc/57/02/42/570570242.db2.gz LPGJFDJKGZMMCF-UXHICEINSA-N -1 0 365.429 4.003 50 0 FIAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000004148021 570578650 /nfs/dbraw/zinc/57/86/50/570578650.db2.gz XLRTUINPEWNVIU-UHFFFAOYSA-N -1 0 373.474 4.162 50 0 FIAARM COc1cccc(NC(=O)c2c(C)cc(C)cc2CC(C)(C)C(=O)[O-])c1 ZINC000004322699 570584714 /nfs/dbraw/zinc/58/47/14/570584714.db2.gz SKZGBGCFEUVVNZ-UHFFFAOYSA-N -1 0 355.434 4.218 50 0 FIAARM Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000006234559 570644030 /nfs/dbraw/zinc/64/40/30/570644030.db2.gz XWTBWXWWWMWBLR-UHFFFAOYSA-N -1 0 355.246 4.134 50 0 FIAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(CCc4ccccc4)c(=O)c23)C1 ZINC000006420520 570646973 /nfs/dbraw/zinc/64/69/73/570646973.db2.gz ZGMDDXCAAKUXTC-LBPRGKRZSA-N -1 0 356.516 4.488 50 0 FIAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000007055745 570658769 /nfs/dbraw/zinc/65/87/69/570658769.db2.gz NCWPBKJMKKTASE-UHFFFAOYSA-N -1 0 354.269 4.373 50 0 FIAARM CC(C)c1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1 ZINC000008729936 570686123 /nfs/dbraw/zinc/68/61/23/570686123.db2.gz PIYIFZMOYJCEOW-PZJWPPBQSA-N -1 0 351.446 4.375 50 0 FIAARM Cc1c2cc(Cl)c(O[C@@H](C)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000011765696 570706126 /nfs/dbraw/zinc/70/61/26/570706126.db2.gz KVOQJSGIUFDQRV-LBPRGKRZSA-N -1 0 372.804 4.198 50 0 FIAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000011860511 570710178 /nfs/dbraw/zinc/71/01/78/570710178.db2.gz RLNYWYZXTCMWGO-UHFFFAOYSA-N -1 0 365.223 4.433 50 0 FIAARM Cc1cc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)cc(C)c1Cl ZINC000004426139 570780089 /nfs/dbraw/zinc/78/00/89/570780089.db2.gz LRJCMHUWKRHNLQ-UHFFFAOYSA-N -1 0 374.776 4.319 50 0 FIAARM O=C([O-])[C@@H]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000194779633 570889465 /nfs/dbraw/zinc/88/94/65/570889465.db2.gz KKTSXQRTCVBJPG-MRVPVSSYSA-N -1 0 358.246 4.145 50 0 FIAARM O=C([O-])CCCn1c(/C=C/c2ccc(Cl)s2)nc2ccccc2c1=O ZINC000046102203 570926246 /nfs/dbraw/zinc/92/62/46/570926246.db2.gz OVHPSNQAOYGCTQ-CSKARUKUSA-N -1 0 374.849 4.147 50 0 FIAARM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000023055007 570955698 /nfs/dbraw/zinc/95/56/98/570955698.db2.gz NPCPECVGVPIRSE-UHFFFAOYSA-N -1 0 373.459 4.193 50 0 FIAARM CN(CCCC(=O)Nc1ccc2[n-]c(=S)oc2c1)C(=O)OC(C)(C)C ZINC000084199830 571079107 /nfs/dbraw/zinc/07/91/07/571079107.db2.gz LWFLJUBNOHKRJA-UHFFFAOYSA-N -1 0 365.455 4.076 50 0 FIAARM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Cl)c2ccccc2c1[O-] ZINC000072311912 571079419 /nfs/dbraw/zinc/07/94/19/571079419.db2.gz KSUDCGLMZAULBB-UHFFFAOYSA-N -1 0 364.792 4.236 50 0 FIAARM CSc1nc(=O)c2sc3nc(-c4ccccc4)c4c(c3c2[n-]1)CCC4 ZINC000009311867 571103803 /nfs/dbraw/zinc/10/38/03/571103803.db2.gz QUKUISNKDPDCNN-UHFFFAOYSA-N -1 0 365.483 4.410 50 0 FIAARM C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)[O-] ZINC000009435154 571109372 /nfs/dbraw/zinc/10/93/72/571109372.db2.gz CUEHZWIHVOULOR-YJBOKZPZSA-N -1 0 352.434 4.220 50 0 FIAARM CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000006087443 571119057 /nfs/dbraw/zinc/11/90/57/571119057.db2.gz OKNYKUNCWXJESM-UHFFFAOYSA-N -1 0 373.261 4.143 50 0 FIAARM O=C(c1cnc2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000006161457 571138851 /nfs/dbraw/zinc/13/88/51/571138851.db2.gz GEINAXNNGXGAHT-UHFFFAOYSA-N -1 0 358.184 4.126 50 0 FIAARM Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000096558406 571141784 /nfs/dbraw/zinc/14/17/84/571141784.db2.gz CNCZTPZXEVWGPP-UHFFFAOYSA-N -1 0 374.396 4.198 50 0 FIAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000004744987 571230669 /nfs/dbraw/zinc/23/06/69/571230669.db2.gz UYUSYLAFLUQAIS-BENRWUELSA-N -1 0 352.415 4.241 50 0 FIAARM O=C([O-])C[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004801815 571237132 /nfs/dbraw/zinc/23/71/32/571237132.db2.gz MLGXDUNJKHXECW-LBPRGKRZSA-N -1 0 352.217 4.266 50 0 FIAARM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000006623197 571237230 /nfs/dbraw/zinc/23/72/30/571237230.db2.gz QBOBVAPZFXEESW-UHFFFAOYSA-N -1 0 370.268 4.039 50 0 FIAARM CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccc(Cl)cc1 ZINC000006721328 571243545 /nfs/dbraw/zinc/24/35/45/571243545.db2.gz MGNQBTSZAALUOC-UHFFFAOYSA-N -1 0 363.826 4.202 50 0 FIAARM Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000036293982 571247005 /nfs/dbraw/zinc/24/70/05/571247005.db2.gz XCBCVFOAJDITJV-UHFFFAOYSA-N -1 0 367.426 4.161 50 0 FIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Oc1cccc(C)c1 ZINC000007051282 571258939 /nfs/dbraw/zinc/25/89/39/571258939.db2.gz DRDYHJYBSYNEEK-UHFFFAOYSA-N -1 0 358.419 4.193 50 0 FIAARM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000004026836 571270941 /nfs/dbraw/zinc/27/09/41/571270941.db2.gz YJPIDPAGJSWWBE-PEXPKUBFSA-N -1 0 372.461 4.025 50 0 biogenic FIAARM CC[C@@H](C)c1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])on1 ZINC000170672500 571284952 /nfs/dbraw/zinc/28/49/52/571284952.db2.gz PIRCURLCIMRWPV-SNVBAGLBSA-N -1 0 358.419 4.031 50 0 FIAARM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(C(C)(C)C)cc3=O)cc1 ZINC000001029458 571307919 /nfs/dbraw/zinc/30/79/19/571307919.db2.gz UXAMXHUHAMRQKX-UHFFFAOYSA-N -1 0 365.355 4.427 50 0 FIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000253433482 571316755 /nfs/dbraw/zinc/31/67/55/571316755.db2.gz XMRAOOFBWSQJRD-HXUWFJFHSA-N -1 0 364.445 4.182 50 0 FIAARM O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc([O-])c(Cl)c1 ZINC000095390032 571329224 /nfs/dbraw/zinc/32/92/24/571329224.db2.gz AJLQOIMTZZTODQ-OAHLLOKOSA-N -1 0 367.779 4.454 50 0 FIAARM CCOC(=O)c1c2cc(O[C@@H](C)C(=O)[O-])ccc2oc1-c1ccccc1 ZINC000002667125 571340376 /nfs/dbraw/zinc/34/03/76/571340376.db2.gz MFKXUKSFBISLPF-LBPRGKRZSA-N -1 0 354.358 4.128 50 0 FIAARM COc1ccccc1Nc1ccccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000003204938 571345432 /nfs/dbraw/zinc/34/54/32/571345432.db2.gz RCDZJKWXBJTOEZ-UHFFFAOYSA-N -1 0 362.385 4.389 50 0 FIAARM COc1cccc(-c2nnc([N-]c3nc4c(cccc4OC)s3)o2)c1 ZINC000004137648 571355966 /nfs/dbraw/zinc/35/59/66/571355966.db2.gz UNUQOELGVRNCMO-UHFFFAOYSA-N -1 0 354.391 4.107 50 0 FIAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)n[nH]2)cc1 ZINC000007988250 571358254 /nfs/dbraw/zinc/35/82/54/571358254.db2.gz ZZKBFTBZQRWDPC-UHFFFAOYSA-N -1 0 363.442 4.339 50 0 FIAARM Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2cc1C ZINC000178261537 1083030307 /nfs/dbraw/zinc/03/03/07/1083030307.db2.gz JCVQGYUEDIARLC-KRWDZBQOSA-N -1 0 374.440 4.065 50 0 FIAARM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccc(Cl)cc3)sc2[C@@H](C)O1 ZINC000888096052 1086767961 /nfs/dbraw/zinc/76/79/61/1086767961.db2.gz QFJOSRQLODPZNA-RKDXNWHRSA-N -1 0 365.838 4.374 50 0 FIAARM CC[C@@](CNC(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000262988019 1099754188 /nfs/dbraw/zinc/75/41/88/1099754188.db2.gz LOZXZPQSPXPWNH-INIZCTEOSA-N -1 0 372.273 4.217 50 0 FIAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000170811585 1115778433 /nfs/dbraw/zinc/77/84/33/1115778433.db2.gz IWHDBTUEFXOSKZ-OAHLLOKOSA-N -1 0 358.246 4.145 50 0 FIAARM COC(=O)c1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000033498354 1122598092 /nfs/dbraw/zinc/59/80/92/1122598092.db2.gz OMPFWETVXJWFPZ-QINSGFPZSA-N -1 0 367.426 4.488 50 0 FIAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1ccc(Br)cc1 ZINC000000652330 219309151 /nfs/dbraw/zinc/30/91/51/219309151.db2.gz WBZITOJZVUHBAP-YCRREMRBSA-N -1 0 363.207 4.135 50 0 FIAARM COc1ccc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)cc1OC ZINC000000853344 219330707 /nfs/dbraw/zinc/33/07/07/219330707.db2.gz KTJYQBAKTQNGMV-UHFFFAOYSA-N -1 0 356.403 4.269 50 0 FIAARM COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)[O-] ZINC000000862747 219332619 /nfs/dbraw/zinc/33/26/19/219332619.db2.gz WWIQQUNGWSVJND-UHFFFAOYSA-N -1 0 360.207 4.408 50 0 FIAARM CC1(C)CCCC2=C1C[C@@H](C(=O)[O-])[C@@H](C(=O)N1CCc3ccccc31)C2 ZINC000000902590 219338790 /nfs/dbraw/zinc/33/87/90/219338790.db2.gz USTKQPQMUYZSCJ-DLBZAZTESA-N -1 0 353.462 4.193 50 0 biogenic FIAARM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000001033026 219354620 /nfs/dbraw/zinc/35/46/20/219354620.db2.gz RLDDSXOMLBFSJJ-UHFFFAOYSA-N -1 0 373.261 4.061 50 0 FIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC000001068583 219362645 /nfs/dbraw/zinc/36/26/45/219362645.db2.gz DDVWTGVOPYLSEI-UHFFFAOYSA-N -1 0 369.870 4.281 50 0 FIAARM O=S(=O)(Cc1ccccc1Cl)[N-]c1nc2cc(Cl)ccc2o1 ZINC000001076401 219365661 /nfs/dbraw/zinc/36/56/61/219365661.db2.gz GSRKZTPYYHATBL-UHFFFAOYSA-N -1 0 357.218 4.077 50 0 FIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc2cccnc21 ZINC000001100859 219369329 /nfs/dbraw/zinc/36/93/29/219369329.db2.gz IQFVJSQJXGGKKA-UHFFFAOYSA-N -1 0 352.337 4.054 50 0 FIAARM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000001143291 219380630 /nfs/dbraw/zinc/38/06/30/219380630.db2.gz DJXQEEXGCQZDBC-JTQLQIEISA-N -1 0 368.216 4.406 50 0 FIAARM Cc1ccc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2)cc1 ZINC000002094573 219426454 /nfs/dbraw/zinc/42/64/54/219426454.db2.gz QBOYKMRHZSIOIO-UHFFFAOYSA-N -1 0 352.386 4.006 50 0 biogenic FIAARM CC(C)C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002513222 219446918 /nfs/dbraw/zinc/44/69/18/219446918.db2.gz ONRQUNUKPSDFFF-OAHLLOKOSA-N -1 0 367.445 4.272 50 0 FIAARM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002517144 219448856 /nfs/dbraw/zinc/44/88/56/219448856.db2.gz BUJQSIPFDWLNDC-FQEVSTJZSA-N -1 0 367.445 4.367 50 0 FIAARM O=C([O-])CCNc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000242554677 222922261 /nfs/dbraw/zinc/92/22/61/222922261.db2.gz MSSVCSYWOHNJBW-UHFFFAOYSA-N -1 0 360.719 4.433 50 0 FIAARM COc1ccc(-c2nc(-c3ccc(OC)cc3)c(CC(=O)[O-])s2)cc1 ZINC000002955992 219477764 /nfs/dbraw/zinc/47/77/64/219477764.db2.gz WRJKYGUBCWICIK-UHFFFAOYSA-N -1 0 355.415 4.121 50 0 FIAARM COc1ccccc1-c1c(Cc2ccccc2)[n-]n2c1nc(C(C)C)cc2=O ZINC000005034928 219643270 /nfs/dbraw/zinc/64/32/70/219643270.db2.gz BNVNZPUIWNWVLL-UHFFFAOYSA-N -1 0 373.456 4.412 50 0 FIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005093732 219650085 /nfs/dbraw/zinc/65/00/85/219650085.db2.gz HHEMGGFHWUTMJO-SFTDATJTSA-N -1 0 365.473 4.216 50 0 FIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012581920 220009006 /nfs/dbraw/zinc/00/90/06/220009006.db2.gz HLOQPPBIRIVVOZ-UHFFFAOYSA-N -1 0 351.406 4.059 50 0 FIAARM O=C([O-])c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000013094938 220057460 /nfs/dbraw/zinc/05/74/60/220057460.db2.gz MAZDBJWXCLKNMW-UHFFFAOYSA-N -1 0 368.216 4.489 50 0 FIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000013004253 220051985 /nfs/dbraw/zinc/05/19/85/220051985.db2.gz JEGJOYRODOAPEI-INIZCTEOSA-N -1 0 373.836 4.184 50 0 FIAARM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013167660 220061156 /nfs/dbraw/zinc/06/11/56/220061156.db2.gz PCZYBLPKEFAXEN-UHFFFAOYSA-N -1 0 354.189 4.018 50 0 FIAARM O=C([O-])C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000013173642 220061358 /nfs/dbraw/zinc/06/13/58/220061358.db2.gz NLUCLIUJFYFCRS-CYBMUJFWSA-N -1 0 356.180 4.078 50 0 FIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 ZINC000013468313 220067904 /nfs/dbraw/zinc/06/79/04/220067904.db2.gz OWHVAFQFQVPHEV-CABCVRRESA-N -1 0 363.504 4.161 50 0 FIAARM O=c1cc([O-])c2sc(SCc3ccccc3C(F)(F)F)nc2[nH]1 ZINC000013626146 220079179 /nfs/dbraw/zinc/07/91/79/220079179.db2.gz PNAFZQNFJGTPTE-UHFFFAOYSA-N -1 0 358.366 4.001 50 0 FIAARM COc1ccc(-c2cc(C(=O)[O-])n3nc(C)c(-c4ccccc4)c3n2)cc1 ZINC000013645121 220081035 /nfs/dbraw/zinc/08/10/35/220081035.db2.gz OHNGQUFZOHRHIC-UHFFFAOYSA-N -1 0 359.385 4.079 50 0 FIAARM O=C([O-])[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1 ZINC000013655735 220081560 /nfs/dbraw/zinc/08/15/60/220081560.db2.gz MRLXGFHSOCPFLJ-LJQANCHMSA-N -1 0 372.380 4.051 50 0 FIAARM CC(C)Oc1c(Br)cc(Br)cc1/C=C/C(=O)[O-] ZINC000013747783 220092255 /nfs/dbraw/zinc/09/22/55/220092255.db2.gz QSKMFLBRXPQLMH-ONEGZZNKSA-N -1 0 364.033 4.097 50 0 FIAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1Cc1ccccn1 ZINC000017075123 220203705 /nfs/dbraw/zinc/20/37/05/220203705.db2.gz CIAUBHINXDTSEA-UHFFFAOYSA-N -1 0 365.483 4.155 50 0 FIAARM COc1ccc(-c2c/c(=N\CCCC(=O)[O-])c3cc(C)c(C)cc3o2)cc1 ZINC000019793974 220295927 /nfs/dbraw/zinc/29/59/27/220295927.db2.gz SBEDVXMBINNELJ-FCDQGJHFSA-N -1 0 365.429 4.491 50 0 FIAARM O=S(=O)([N-]c1cccc(O)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000032601909 220666177 /nfs/dbraw/zinc/66/61/77/220666177.db2.gz ZJJINTNJLYQLHN-UHFFFAOYSA-N -1 0 352.626 4.153 50 0 FIAARM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000055600352 221072604 /nfs/dbraw/zinc/07/26/04/221072604.db2.gz LFEBSBLUSBQRIE-UHFFFAOYSA-N -1 0 368.842 4.018 50 0 FIAARM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccc(F)cc1Cl ZINC000058356112 221115450 /nfs/dbraw/zinc/11/54/50/221115450.db2.gz MQSWOCXROAXSJG-UHFFFAOYSA-N -1 0 368.842 4.403 50 0 FIAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820596 221152398 /nfs/dbraw/zinc/15/23/98/221152398.db2.gz OJPPPTHSYRFWCE-UHFFFAOYSA-N -1 0 360.413 4.274 50 0 FIAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cccc(C)c2C)s1 ZINC000065183499 221175699 /nfs/dbraw/zinc/17/56/99/221175699.db2.gz SGIGGSSCYZICJF-UHFFFAOYSA-N -1 0 363.508 4.245 50 0 FIAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2ccsc2)no1 ZINC000065153431 221173801 /nfs/dbraw/zinc/17/38/01/221173801.db2.gz VLJZOJXLPUFEDE-UHFFFAOYSA-N -1 0 354.840 4.166 50 0 FIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246391 221187323 /nfs/dbraw/zinc/18/73/23/221187323.db2.gz ORZSPYYSRVOAOH-UHFFFAOYSA-N -1 0 373.434 4.015 50 0 FIAARM CC(C)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(-c2ccccc2)no1 ZINC000068439733 221315718 /nfs/dbraw/zinc/31/57/18/221315718.db2.gz YYQAUDPTGPJUAT-MRXNPFEDSA-N -1 0 371.824 4.223 50 0 FIAARM O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccc1O ZINC000001128610 132380321 /nfs/dbraw/zinc/38/03/21/132380321.db2.gz DOKKOHFIDLWGES-UHFFFAOYSA-N -1 0 372.424 4.336 50 0 FIAARM C[C@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)[O-] ZINC000012779980 132862988 /nfs/dbraw/zinc/86/29/88/132862988.db2.gz VVTLBXCDYVXDMO-BBRMVZONSA-N -1 0 373.499 4.073 50 0 FIAARM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064588754 136133244 /nfs/dbraw/zinc/13/32/44/136133244.db2.gz TTZPSEUDXWPCDI-UHFFFAOYSA-N -1 0 358.825 4.281 50 0 FIAARM Cc1cccc(C(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c1 ZINC000064588857 136133283 /nfs/dbraw/zinc/13/32/83/136133283.db2.gz LZANUGVJCYOXKE-HNNXBMFYSA-N -1 0 352.434 4.182 50 0 FIAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2F)C1 ZINC000064820438 136133800 /nfs/dbraw/zinc/13/38/00/136133800.db2.gz CAYAOZVSZIQRPN-ZDUSSCGKSA-N -1 0 356.397 4.013 50 0 FIAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Br)cc1F ZINC000096170891 222067883 /nfs/dbraw/zinc/06/78/83/222067883.db2.gz FHYUWUOIEQSELP-UHFFFAOYSA-N -1 0 364.623 4.042 50 0 FIAARM CCOc1cc(/C=C\c2cc(C(=O)[O-])c3ccc(F)cc3n2)ccc1O ZINC000096196514 222073836 /nfs/dbraw/zinc/07/38/36/222073836.db2.gz XWCFBLOBWUWASZ-UTCJRWHESA-N -1 0 353.349 4.347 50 0 FIAARM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1 ZINC000096323209 222115412 /nfs/dbraw/zinc/11/54/12/222115412.db2.gz WPPZPTJUMFLQIN-UHFFFAOYSA-N -1 0 372.324 4.063 50 0 FIAARM COC(=O)c1ccccc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000096891362 222136882 /nfs/dbraw/zinc/13/68/82/222136882.db2.gz IVEOVZKZKXMZKV-RAXLEYEMSA-N -1 0 353.399 4.098 50 0 FIAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccccc2)c(Cl)c3=O)cc1 ZINC000101311688 222268859 /nfs/dbraw/zinc/26/88/59/222268859.db2.gz ILXHIFYBKLLMIE-UHFFFAOYSA-N -1 0 365.820 4.327 50 0 FIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000642722 263141157 /nfs/dbraw/zinc/14/11/57/263141157.db2.gz DBOABFOJFKCSSI-VQTJNVASSA-N -1 0 351.446 4.106 50 0 FIAARM O=C([O-])c1ccc(NC(=O)C2CCCCC2)c(NC(=O)C2CCCCC2)c1 ZINC000004616336 263335260 /nfs/dbraw/zinc/33/52/60/263335260.db2.gz IJWBDLMAZXPZTO-UHFFFAOYSA-N -1 0 372.465 4.422 50 0 FIAARM CCOC(=O)c1c[n-]c2c(C(=O)c3ccccc3)cc(Cl)cc2c1=O ZINC000005625435 263342227 /nfs/dbraw/zinc/34/22/27/263342227.db2.gz DZSFJSUIVYNDOS-UHFFFAOYSA-N -1 0 355.777 4.002 50 0 FIAARM COc1cccc2c(C)cc(N3CCC(CC4CC4)(C(=O)[O-])CC3)nc12 ZINC000071498498 536930741 /nfs/dbraw/zinc/93/07/41/536930741.db2.gz VRDFYYAUKQXLRW-UHFFFAOYSA-N -1 0 354.450 4.023 50 0 FIAARM CC(=O)c1c(C)nc2sc3c([n-]nnc3=O)c2c1-c1ccc(Cl)cc1 ZINC000000642981 567984767 /nfs/dbraw/zinc/98/47/67/567984767.db2.gz AVHXMYSKNITOIU-UHFFFAOYSA-N -1 0 370.821 4.172 50 0 FIAARM COc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2)cc1 ZINC000218500982 568236881 /nfs/dbraw/zinc/23/68/81/568236881.db2.gz CHCATMKWPPDXAY-LJQANCHMSA-N -1 0 367.445 4.222 50 0 FIAARM COc1ccc2cc(-c3oc4cc(C)[nH]c(=O)c4c3CC(=O)[O-])ccc2c1 ZINC000604405161 568274409 /nfs/dbraw/zinc/27/44/09/568274409.db2.gz XNYNAQCETLVSBU-UHFFFAOYSA-N -1 0 363.369 4.298 50 0 FIAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)c1c[nH]c2ccccc21 ZINC000001273255 570497095 /nfs/dbraw/zinc/49/70/95/570497095.db2.gz UKZWMJMQQLWAET-CQSZACIVSA-N -1 0 372.218 4.372 50 0 FIAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386817 570520438 /nfs/dbraw/zinc/52/04/38/570520438.db2.gz KFDMTAMWOIQTOB-LJQANCHMSA-N -1 0 353.418 4.024 50 0 FIAARM CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1 ZINC000002777916 570532366 /nfs/dbraw/zinc/53/23/66/570532366.db2.gz XNXUELOSQOEMNU-ZIAGYGMSSA-N -1 0 353.344 4.365 50 0 FIAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1C ZINC000003884855 570570138 /nfs/dbraw/zinc/57/01/38/570570138.db2.gz DGXMXEJIEWJHSK-UHFFFAOYSA-N -1 0 361.463 4.100 50 0 FIAARM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000004475353 570591488 /nfs/dbraw/zinc/59/14/88/570591488.db2.gz MLKXDPUZXIRXEP-LQVWSKNFSA-N -1 0 356.418 4.366 50 0 fda FIAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000004755627 570605802 /nfs/dbraw/zinc/60/58/02/570605802.db2.gz YORKTLIMSDTREX-WQRHYEAKSA-N -1 0 373.836 4.230 50 0 FIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000004906042 570612899 /nfs/dbraw/zinc/61/28/99/570612899.db2.gz CQJQBFTUPAYHEH-UHFFFAOYSA-N -1 0 366.417 4.156 50 0 FIAARM Cc1cc(C(F)(F)F)nn1Cc1n[n-]c(=S)n1-c1ccc(Cl)cc1 ZINC000005425692 570626792 /nfs/dbraw/zinc/62/67/92/570626792.db2.gz JIYSYXAZIOQAGY-UHFFFAOYSA-N -1 0 373.791 4.155 50 0 FIAARM Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)[O-])cs3)n2)cc1 ZINC000006054178 570640509 /nfs/dbraw/zinc/64/05/09/570640509.db2.gz ISTFMYYZHMRRMA-UHFFFAOYSA-N -1 0 353.325 4.021 50 0 FIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(OC)cc2)C1 ZINC000006429621 570646937 /nfs/dbraw/zinc/64/69/37/570646937.db2.gz YHLGVKXJKWHQPU-FOWTUZBSSA-N -1 0 374.440 4.318 50 0 FIAARM COc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005484332 570662980 /nfs/dbraw/zinc/66/29/80/570662980.db2.gz LKMQUOUQJOAPMU-UHFFFAOYSA-N -1 0 352.264 4.318 50 0 biogenic FIAARM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(C(F)(F)F)c1 ZINC000007709440 570670588 /nfs/dbraw/zinc/67/05/88/570670588.db2.gz AHGVEHXOZDBFRP-UHFFFAOYSA-N -1 0 352.337 4.054 50 0 FIAARM CCc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000002755163 570671258 /nfs/dbraw/zinc/67/12/58/570671258.db2.gz XDFYXBFRCGDTLV-KGLIPLIRSA-N -1 0 358.463 4.202 50 0 FIAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Br)o1 ZINC000008188479 570678103 /nfs/dbraw/zinc/67/81/03/570678103.db2.gz TUBCVJQZRQYDJE-UHFFFAOYSA-N -1 0 350.983 4.307 50 0 FIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000005601769 570680270 /nfs/dbraw/zinc/68/02/70/570680270.db2.gz RLPCUHYMYYSPSE-JKSUJKDBSA-N -1 0 370.474 4.341 50 0 FIAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1cccc2ccccc12 ZINC000008322819 570680425 /nfs/dbraw/zinc/68/04/25/570680425.db2.gz XXWHGTFRVRWIAS-FOWTUZBSSA-N -1 0 368.392 4.192 50 0 FIAARM COc1ccc(Cc2nnc(Nc3ccc4ccccc4c3)[n-]c2=O)cc1 ZINC000008743069 570687151 /nfs/dbraw/zinc/68/71/51/570687151.db2.gz UXXNFJGGFGCUIT-UHFFFAOYSA-N -1 0 358.401 4.073 50 0 FIAARM COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cc1 ZINC000012395332 570741744 /nfs/dbraw/zinc/74/17/44/570741744.db2.gz FUUJNGVUNBCQHX-UHFFFAOYSA-N -1 0 373.359 4.007 50 0 FIAARM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000002140862 570767149 /nfs/dbraw/zinc/76/71/49/570767149.db2.gz SOJFUILFWNJLKR-VMPITWQZSA-N -1 0 351.171 4.265 50 0 FIAARM CC[C@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])c1ccccc1 ZINC000005059819 570775010 /nfs/dbraw/zinc/77/50/10/570775010.db2.gz FKEZNCCNZOJPEN-ZDUSSCGKSA-N -1 0 362.223 4.280 50 0 FIAARM O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N1 ZINC000004548853 570823355 /nfs/dbraw/zinc/82/33/55/570823355.db2.gz AHQVXIRYGVICJX-WOJBJXKFSA-N -1 0 365.454 4.207 50 0 FIAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1C ZINC000044901556 570902421 /nfs/dbraw/zinc/90/24/21/570902421.db2.gz HNDZMYIAZFADCD-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)c2ccccc12 ZINC000028251824 571028716 /nfs/dbraw/zinc/02/87/16/571028716.db2.gz BRLNDVJJGAFCRU-UHFFFAOYSA-N -1 0 356.447 4.133 50 0 FIAARM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2cccnc2c1 ZINC000008710331 571056702 /nfs/dbraw/zinc/05/67/02/571056702.db2.gz UDIHNCGWKVMZPX-UHFFFAOYSA-N -1 0 364.426 4.197 50 0 FIAARM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000084067784 571069234 /nfs/dbraw/zinc/06/92/34/571069234.db2.gz NAFMDSNVNMTVIU-UHFFFAOYSA-N -1 0 369.377 4.357 50 0 FIAARM O=c1nc(SCc2ccc(Cl)cc2)nc2c(-c3ccccc3)c[n-]n21 ZINC000009105722 571096010 /nfs/dbraw/zinc/09/60/10/571096010.db2.gz DLEAFZYOFHNNKV-UHFFFAOYSA-N -1 0 368.849 4.030 50 0 FIAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000041095699 571096910 /nfs/dbraw/zinc/09/69/10/571096910.db2.gz ZOLPXFWYPGIJDN-UHFFFAOYSA-N -1 0 368.886 4.366 50 0 FIAARM COc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(Br)cc3)n2)cc1 ZINC000044672170 571101873 /nfs/dbraw/zinc/10/18/73/571101873.db2.gz ATNFBWFVYFMEQI-UHFFFAOYSA-N -1 0 373.206 4.009 50 0 FIAARM COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccc(F)cc3Cl)c2c1 ZINC000045795945 571106842 /nfs/dbraw/zinc/10/68/42/571106842.db2.gz WUXUGIHOMALGJQ-UHFFFAOYSA-N -1 0 361.756 4.001 50 0 FIAARM O=C(c1c[nH]c(-c2ccnc(N3CCCC3)c2)c1)c1cc(Cl)ccc1[O-] ZINC000012810139 571111343 /nfs/dbraw/zinc/11/13/43/571111343.db2.gz WGYIGOHLPZHHNG-UHFFFAOYSA-N -1 0 367.836 4.267 50 0 FIAARM C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000011907404 571114083 /nfs/dbraw/zinc/11/40/83/571114083.db2.gz SOUCOWITPNFCHK-GFCCVEGCSA-N -1 0 352.415 4.052 50 0 FIAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Cl)c(Cl)c1 ZINC000072414267 571158965 /nfs/dbraw/zinc/15/89/65/571158965.db2.gz GKTHDLQNXSNGHR-UHFFFAOYSA-N -1 0 353.230 4.342 50 0 FIAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](C)C(=O)[O-])c1 ZINC000004719257 571168291 /nfs/dbraw/zinc/16/82/91/571168291.db2.gz DRNQCDRSQDXCCL-KBXCAEBGSA-N -1 0 359.853 4.475 50 0 FIAARM C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C ZINC000118915976 571177267 /nfs/dbraw/zinc/17/72/67/571177267.db2.gz OAZITJUUAWYFTF-CYESZIMXSA-N -1 0 360.494 4.066 50 0 FIAARM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000003624672 571186111 /nfs/dbraw/zinc/18/61/11/571186111.db2.gz MYIWNIXDOMVDLE-PMACEKPBSA-N -1 0 369.461 4.300 50 0 FIAARM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)cc1C ZINC000006421442 571187161 /nfs/dbraw/zinc/18/71/61/571187161.db2.gz SBQNJFVJVNRBGC-UHFFFAOYSA-N -1 0 372.881 4.130 50 0 FIAARM O=C([O-])c1ccccc1C=NNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000252636975 571204849 /nfs/dbraw/zinc/20/48/49/571204849.db2.gz XONWYVXHBAHNAR-UHFFFAOYSA-N -1 0 358.353 4.048 50 0 FIAARM O=S(=O)([N-]c1nc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000006623472 571237404 /nfs/dbraw/zinc/23/74/04/571237404.db2.gz FJGZSRZTVCZSPK-UHFFFAOYSA-N -1 0 367.455 4.159 50 0 FIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)o1 ZINC000065003764 571250069 /nfs/dbraw/zinc/25/00/69/571250069.db2.gz QLTCCKIPABDITC-UHFFFAOYSA-N -1 0 368.867 4.474 50 0 FIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000006887674 571253105 /nfs/dbraw/zinc/25/31/05/571253105.db2.gz FRMATYPRXYCCRY-UHFFFAOYSA-N -1 0 372.446 4.076 50 0 FIAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000006887662 571253215 /nfs/dbraw/zinc/25/32/15/571253215.db2.gz WEOCDRHBELSHDF-UHFFFAOYSA-N -1 0 372.446 4.022 50 0 FIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000065215456 571256689 /nfs/dbraw/zinc/25/66/89/571256689.db2.gz QQFLTWADMMXCLF-UHFFFAOYSA-N -1 0 356.447 4.164 50 0 FIAARM O=C1C[C@@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730309 571258359 /nfs/dbraw/zinc/25/83/59/571258359.db2.gz FAMVYBPVUUZDHE-ZDUSSCGKSA-N -1 0 374.348 4.200 50 0 biogenic FIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000007057205 571259753 /nfs/dbraw/zinc/25/97/53/571259753.db2.gz FPXVQAKBJDOPJQ-UHFFFAOYSA-N -1 0 369.442 4.172 50 0 FIAARM COc1ccc(-c2coc3cc4oc(=O)c(CC(=O)[O-])c(C)c4cc32)cc1 ZINC000002091148 571276748 /nfs/dbraw/zinc/27/67/48/571276748.db2.gz YKCRRDVZXWZRLJ-UHFFFAOYSA-N -1 0 364.353 4.150 50 0 biogenic FIAARM Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000007883990 571290599 /nfs/dbraw/zinc/29/05/99/571290599.db2.gz RIOBGVZRZLIRRM-OAQYLSRUSA-N -1 0 372.424 4.460 50 0 FIAARM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(CC)s3)c2C1 ZINC000095946519 571332534 /nfs/dbraw/zinc/33/25/34/571332534.db2.gz QEJMZEVWBNIHNQ-UHFFFAOYSA-N -1 0 364.536 4.227 50 0 FIAARM COc1cccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c1OC(F)F ZINC000096035424 571334178 /nfs/dbraw/zinc/33/41/78/571334178.db2.gz DVWSQYUNRUFTKS-SFECMWDFSA-N -1 0 353.346 4.021 50 0 FIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccc(Cl)c1Cl ZINC000002644377 571339892 /nfs/dbraw/zinc/33/98/92/571339892.db2.gz PMDXUWADNAVFJK-UHFFFAOYSA-N -1 0 368.188 4.396 50 0 FIAARM CC(C)(C)c1ccc([C@H]2SCC(=O)N2c2cccc(C(=O)[O-])c2)cc1 ZINC000002949280 571342124 /nfs/dbraw/zinc/34/21/24/571342124.db2.gz QIBPOKXMVAPZLC-GOSISDBHSA-N -1 0 355.459 4.461 50 0 FIAARM COc1ccc(-c2csc(NC(=O)c3cccs3)c2C(=O)[O-])cc1 ZINC000003201251 571345460 /nfs/dbraw/zinc/34/54/60/571345460.db2.gz CNORAZLJQRPIOO-UHFFFAOYSA-N -1 0 359.428 4.436 50 0 FIAARM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)ccc2o1 ZINC000032097488 571355734 /nfs/dbraw/zinc/35/57/34/571355734.db2.gz DKQWLZNICDYYPB-UHFFFAOYSA-N -1 0 366.389 4.204 50 0 FIAARM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000008130426 571359279 /nfs/dbraw/zinc/35/92/79/571359279.db2.gz GQHUPWGMFQVKPJ-UHFFFAOYSA-N -1 0 351.443 4.323 50 0 FIAARM