smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(C3CC3)cc(C(F)F)c12 ZINC000020603679 1023685844 /nfs/dbraw/zinc/68/58/44/1023685844.db2.gz QCMQIWKDCCUMCM-UHFFFAOYSA-N -1 0 343.333 4.242 50 0 EIAARM O=C([O-])c1nc(Cl)c(Cl)c(N=NC[C@@H]2CC=CCC2)c1Cl ZINC000254297960 1037340369 /nfs/dbraw/zinc/34/03/69/1037340369.db2.gz ZBUSBFJVHZTBHR-SSDOTTSWSA-N -1 0 348.617 4.494 50 0 EIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000033627291 1047663545 /nfs/dbraw/zinc/66/35/45/1047663545.db2.gz FQUAQJOMDCUQHG-LCYFTJDESA-N -1 0 345.354 4.149 50 0 EIAARM Cc1cc(Cl)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1C ZINC000630328640 1048868115 /nfs/dbraw/zinc/86/81/15/1048868115.db2.gz QSHONIVLRUBSSS-LSDHHAIUSA-N -1 0 343.810 4.397 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000005800112 1054097014 /nfs/dbraw/zinc/09/70/14/1054097014.db2.gz QNLYWGYEWJQRBR-CVEARBPZSA-N -1 0 336.391 4.036 50 0 EIAARM O=C([O-])c1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000013166852 1054800569 /nfs/dbraw/zinc/80/05/69/1054800569.db2.gz FDBVUHOKVHLWEC-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM CCCOc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000580349922 1059653023 /nfs/dbraw/zinc/65/30/23/1059653023.db2.gz YCVMQEZUQWUEFX-VURMDHGXSA-N -1 0 333.409 4.118 50 0 EIAARM CC[C@H](C)c1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)cc1 ZINC000006811576 201699886 /nfs/dbraw/zinc/69/98/86/201699886.db2.gz PHJBIYUPQJHCGN-LBPRGKRZSA-N -1 0 344.436 4.024 50 0 EIAARM O=C([O-])c1ccc(/C=C(\Cl)c2nnc(-c3ccccc3)o2)cc1 ZINC000008321558 201744669 /nfs/dbraw/zinc/74/46/69/201744669.db2.gz HNOHCESEVXVBPK-UVTDQMKNSA-N -1 0 326.739 4.172 50 0 EIAARM Cc1nn(-c2ccccc2F)c2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 ZINC000012396215 201843275 /nfs/dbraw/zinc/84/32/75/201843275.db2.gz JURYZRUAGLIEKH-UHFFFAOYSA-N -1 0 345.761 4.097 50 0 EIAARM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013250522 201888147 /nfs/dbraw/zinc/88/81/47/201888147.db2.gz PCNTZOXPXKUZNP-CQSZACIVSA-N -1 0 338.190 4.190 50 0 EIAARM O=C(C[P@@](=O)([O-])CCCCc1ccccc1)OCc1ccccc1 ZINC000021300609 202064486 /nfs/dbraw/zinc/06/44/86/202064486.db2.gz GVDMCYBWLREELG-UHFFFAOYSA-N -1 0 346.363 4.023 50 0 in-vitro EIAARM CC(=O)Nc1ccc(/C=C/c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1 ZINC000026762915 202147595 /nfs/dbraw/zinc/14/75/95/202147595.db2.gz ARWARPRSFMWKQE-RMKNXTFCSA-N -1 0 346.386 4.370 50 0 EIAARM CC(C)c1ccc(O[C@H](C)C(=O)Nc2onc3c2CCCC3)cc1 ZINC000027662596 202159085 /nfs/dbraw/zinc/15/90/85/202159085.db2.gz SCDMLAUWFYDYBL-CYBMUJFWSA-N -1 0 328.412 4.083 50 0 EIAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032754926 202232568 /nfs/dbraw/zinc/23/25/68/202232568.db2.gz ZRZUUTBQHWZHKC-UHFFFAOYSA-N -1 0 327.808 4.403 50 0 EIAARM COc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c(OC)c1 ZINC000071971718 202365630 /nfs/dbraw/zinc/36/56/30/202365630.db2.gz MIPSOVJPSIBCQD-UHFFFAOYSA-N -1 0 341.388 4.193 50 0 EIAARM C[C@@H](c1cccnc1)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000073337648 202370178 /nfs/dbraw/zinc/37/01/78/202370178.db2.gz SEBIHXFDGZNNRP-NSHDSACASA-N -1 0 339.420 4.251 50 0 EIAARM CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)[O-])ccc21 ZINC000004676092 201360768 /nfs/dbraw/zinc/36/07/68/201360768.db2.gz SJRQMAXWOVWAKF-ZDUSSCGKSA-N -1 0 338.407 4.254 50 0 EIAARM Cc1nn(C)c(C)c1/C=C1/CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000096766299 201378626 /nfs/dbraw/zinc/37/86/26/201378626.db2.gz MOWPOKDSHHOPTR-KAMYIIQDSA-N -1 0 347.418 4.160 50 0 EIAARM Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000043116 201425462 /nfs/dbraw/zinc/42/54/62/201425462.db2.gz CYRWMDIDRVATIQ-INIZCTEOSA-N -1 0 334.824 4.467 50 0 EIAARM CN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000446132 201474876 /nfs/dbraw/zinc/47/48/76/201474876.db2.gz GRSQDGOFHUDFQN-UHFFFAOYSA-N -1 0 331.371 4.328 50 0 EIAARM CCCOc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000225792784 242039577 /nfs/dbraw/zinc/03/95/77/242039577.db2.gz YCVMQEZUQWUEFX-SOFGYWHQSA-N -1 0 333.409 4.118 50 0 EIAARM CC(C)CC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002306239 201528545 /nfs/dbraw/zinc/52/85/45/201528545.db2.gz MRYJNXLXQXZWQO-CHWSQXEVSA-N -1 0 325.836 4.442 50 0 EIAARM CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)[O-] ZINC000004095813 201588530 /nfs/dbraw/zinc/58/85/30/201588530.db2.gz VNYSSYRCGWBHLG-IMSBXONOSA-N -1 0 336.472 4.158 50 0 EIAARM C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000004184633 201593278 /nfs/dbraw/zinc/59/32/78/201593278.db2.gz IJIVRVVHHDLZKV-VIFPVBQESA-N -1 0 349.839 4.477 50 0 EIAARM O=C([O-])c1ccc(N2CCCCCC2)c(NC(=O)c2ccccc2)c1 ZINC000064820600 202819118 /nfs/dbraw/zinc/81/91/18/202819118.db2.gz PSJBYPNICQCVOD-UHFFFAOYSA-N -1 0 338.407 4.018 50 0 EIAARM O=c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)[n-]c2ccsc21 ZINC000253535063 244007699 /nfs/dbraw/zinc/00/76/99/244007699.db2.gz CIRSXJYEJGVAJR-JTQLQIEISA-N -1 0 328.290 4.475 50 0 EIAARM CCOc1ccc(-c2ccnc(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000077470194 203390254 /nfs/dbraw/zinc/39/02/54/203390254.db2.gz IRIVVCWGQTUIQZ-UHFFFAOYSA-N -1 0 338.338 4.047 50 0 EIAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(CCC(C)C)c3=O)cc1 ZINC000102722481 204046932 /nfs/dbraw/zinc/04/69/32/204046932.db2.gz JQZCTUDWPIGQBD-UHFFFAOYSA-N -1 0 339.439 4.316 50 0 EIAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000000194754 206209222 /nfs/dbraw/zinc/20/92/22/206209222.db2.gz QVKIOAOYTMVPNK-CMDGGOBGSA-N -1 0 327.380 4.236 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000335968 206236680 /nfs/dbraw/zinc/23/66/80/206236680.db2.gz KLHJWYMUYRHVIZ-ZJUUUORDSA-N -1 0 349.736 4.188 50 0 EIAARM CCCNc1ccc(Cl)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000241316666 520166051 /nfs/dbraw/zinc/16/60/51/520166051.db2.gz LTXOKAJQHSLFBG-UHFFFAOYSA-N -1 0 346.239 4.230 50 0 EIAARM CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000246549 563266182 /nfs/dbraw/zinc/26/61/82/563266182.db2.gz YDNMEXKVMQPSIC-UHFFFAOYSA-N -1 0 330.236 4.357 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004844823 563513473 /nfs/dbraw/zinc/51/34/73/563513473.db2.gz FODAYZOULDVYKJ-UWVGGRQHSA-N -1 0 348.613 4.165 50 0 EIAARM O=C([N-]C(=O)c1c(Cl)cccc1Cl)Oc1c(F)cccc1F ZINC000000092420 563223116 /nfs/dbraw/zinc/22/31/16/563223116.db2.gz FZGUDVLYCARHDY-UHFFFAOYSA-N -1 0 346.116 4.200 50 0 EIAARM O=C([O-])c1cccc(Nc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000000151334 563246375 /nfs/dbraw/zinc/24/63/75/563246375.db2.gz ACEMPVAXIUJIPF-UHFFFAOYSA-N -1 0 333.269 4.090 50 0 EIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)[O-])C1 ZINC000000191638 563256940 /nfs/dbraw/zinc/25/69/40/563256940.db2.gz ACLUEOBQFRYTQS-SNVBAGLBSA-N -1 0 347.436 4.443 50 0 in-vitro EIAARM Cc1ccc2nc(-c3ccc(NC(=O)CCC(=O)[O-])cc3)sc2c1 ZINC000000248157 563266531 /nfs/dbraw/zinc/26/65/31/563266531.db2.gz RVPPKPDANXARLG-UHFFFAOYSA-N -1 0 340.404 4.075 50 0 EIAARM Cc1cccc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1C ZINC000000367838 563296836 /nfs/dbraw/zinc/29/68/36/563296836.db2.gz MFIYXHDJUIOLSJ-UHFFFAOYSA-N -1 0 340.206 4.333 50 0 EIAARM O=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000000454366 563322966 /nfs/dbraw/zinc/32/29/66/563322966.db2.gz QBTVTKLDIBALGW-UHFFFAOYSA-N -1 0 325.147 4.083 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)cc1OC ZINC000000528260 563341745 /nfs/dbraw/zinc/34/17/45/563341745.db2.gz AXRYIPWGCLDHQF-UHFFFAOYSA-N -1 0 339.844 4.020 50 0 EIAARM [O-]c1c(Cl)cc(NC(=S)NCCc2ccccc2)cc1Cl ZINC000000618737 563360710 /nfs/dbraw/zinc/36/07/10/563360710.db2.gz OCRLUDFGFBKKRO-UHFFFAOYSA-N -1 0 341.263 4.228 50 0 EIAARM O=C([O-])c1nc(-c2ccc(C(F)(F)F)cc2)oc1C(F)(F)F ZINC000001494963 563390991 /nfs/dbraw/zinc/39/09/91/563390991.db2.gz AOEAEYCNEQBSCN-UHFFFAOYSA-N -1 0 325.164 4.077 50 0 EIAARM O=C([O-])c1ccc(COc2ccc(Br)cc2Cl)cc1 ZINC000002521412 563438549 /nfs/dbraw/zinc/43/85/49/563438549.db2.gz XLFLHODVSITFAY-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM O=C([O-])c1ccc2cc(Br)ccc2c1Br ZINC000003099346 563471763 /nfs/dbraw/zinc/47/17/63/563471763.db2.gz SGTZWMPXSVWXOP-UHFFFAOYSA-N -1 0 329.975 4.063 50 0 EIAARM Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000003886065 563490599 /nfs/dbraw/zinc/49/05/99/563490599.db2.gz PDFQFLIMQNETAI-UHFFFAOYSA-N -1 0 335.388 4.156 50 0 EIAARM CC1(C)S[C@H](c2cccc(Oc3ccccc3)c2)N[C@@H]1C(=O)[O-] ZINC000005304857 563526095 /nfs/dbraw/zinc/52/60/95/563526095.db2.gz BBJUNDLJULMHLT-HZPDHXFCSA-N -1 0 329.421 4.046 50 0 EIAARM FC(F)(F)c1cnc(Sc2n[n-]c(=S)s2)c(Cl)c1 ZINC000005753703 563549170 /nfs/dbraw/zinc/54/91/70/563549170.db2.gz IRIOOYJKKQSGSF-UHFFFAOYSA-N -1 0 329.781 4.045 50 0 EIAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737952 563607940 /nfs/dbraw/zinc/60/79/40/563607940.db2.gz VHGFCNBIDJYHIW-UHFFFAOYSA-N -1 0 332.425 4.045 50 0 EIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc(Cl)c1 ZINC000009526061 563644367 /nfs/dbraw/zinc/64/43/67/563644367.db2.gz KOFJNQPIFDEMQE-UHFFFAOYSA-N -1 0 338.798 4.007 50 0 EIAARM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011565880 563649894 /nfs/dbraw/zinc/64/98/94/563649894.db2.gz BPBRLUAUOWIMFM-UHFFFAOYSA-N -1 0 348.468 4.103 50 0 EIAARM O=C([O-])c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396045 563659676 /nfs/dbraw/zinc/65/96/76/563659676.db2.gz WVDDKLOKIGNCBJ-UHFFFAOYSA-N -1 0 337.354 4.013 50 0 EIAARM Cc1nn(C2CCCC2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000012394295 563659742 /nfs/dbraw/zinc/65/97/42/563659742.db2.gz GFBRNSONABEMEA-UHFFFAOYSA-N -1 0 327.409 4.282 50 0 EIAARM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000013167471 563691677 /nfs/dbraw/zinc/69/16/77/563691677.db2.gz BWUGRRJDKWEIEC-UHFFFAOYSA-N -1 0 349.839 4.005 50 0 EIAARM Cc1cc2c([n-]c(=S)n(CCc3cccc(Cl)c3)c2=O)s1 ZINC000017070819 563833498 /nfs/dbraw/zinc/83/34/98/563833498.db2.gz NCGMHPSLVMACEY-UHFFFAOYSA-N -1 0 336.869 4.325 50 0 EIAARM O=C([O-])c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1F ZINC000040449934 563923111 /nfs/dbraw/zinc/92/31/11/563923111.db2.gz KXLDOHNOPDYREH-UHFFFAOYSA-N -1 0 328.126 4.083 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000049467016 563930979 /nfs/dbraw/zinc/93/09/79/563930979.db2.gz DERCLBUIRKNIEZ-LJQANCHMSA-N -1 0 349.430 4.214 50 0 EIAARM CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000058424296 563945894 /nfs/dbraw/zinc/94/58/94/563945894.db2.gz PZTNKADJDHGHSA-LBPRGKRZSA-N -1 0 345.468 4.040 50 0 EIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1 ZINC000000118176 563986725 /nfs/dbraw/zinc/98/67/25/563986725.db2.gz AYRWCDNBMWRZPK-QGZVFWFLSA-N -1 0 343.398 4.069 50 0 EIAARM O=C([O-])Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000000254852 563989543 /nfs/dbraw/zinc/98/95/43/563989543.db2.gz ICWXBPYLGPYGCK-UHFFFAOYSA-N -1 0 346.358 4.459 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@H](CCCc2ccccc2)[C@@H]1C(=O)[O-] ZINC000221038696 563989641 /nfs/dbraw/zinc/98/96/41/563989641.db2.gz MCODWISZPDFBOP-DLBZAZTESA-N -1 0 347.455 4.110 50 0 EIAARM CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000100288361 563992104 /nfs/dbraw/zinc/99/21/04/563992104.db2.gz BGKHCLZFGPIKKU-JYYURTCRSA-N -1 0 336.472 4.280 50 0 EIAARM O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)cc2Cl)n1[O-] ZINC000005427214 564003848 /nfs/dbraw/zinc/00/38/48/564003848.db2.gz BUEVVHLDBFJMOC-UHFFFAOYSA-N -1 0 341.581 4.261 50 0 EIAARM CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000004892710 564013937 /nfs/dbraw/zinc/01/39/37/564013937.db2.gz REOUYHNSMGNAMB-UHFFFAOYSA-N -1 0 333.771 4.079 50 0 EIAARM O=C([O-])c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000017071067 564024884 /nfs/dbraw/zinc/02/48/84/564024884.db2.gz QOWDBLCQOOFDRC-UHFFFAOYSA-N -1 0 339.178 4.013 50 0 EIAARM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000003628936 564060067 /nfs/dbraw/zinc/06/00/67/564060067.db2.gz VCSLAJAFVDYRDD-IRXDYDNUSA-N -1 0 345.826 4.166 50 0 EIAARM COc1cccc(-c2nnc([N-]c3nc4c(cccc4F)s3)o2)c1 ZINC000004078454 564061809 /nfs/dbraw/zinc/06/18/09/564061809.db2.gz YZNJDEFKEOAFGO-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 aggregator EIAARM O=C([O-])c1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 ZINC000075249757 564081185 /nfs/dbraw/zinc/08/11/85/564081185.db2.gz BHINERJBMJCPDV-UHFFFAOYSA-N -1 0 346.173 4.211 50 0 EIAARM O=C([O-])c1ccc(NN=Cc2ccccc2OCc2ccccc2)cc1 ZINC000252452622 564090108 /nfs/dbraw/zinc/09/01/08/564090108.db2.gz RPCAYICRKWKRSV-UHFFFAOYSA-N -1 0 346.386 4.410 50 0 EIAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000006707291 564096249 /nfs/dbraw/zinc/09/62/49/564096249.db2.gz VEULLLNZXWXERE-GUYCJALGSA-N -1 0 342.395 4.100 50 0 EIAARM CC(C)[C@@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)[O-] ZINC000011946100 564135099 /nfs/dbraw/zinc/13/50/99/564135099.db2.gz GFNIVFZTLONKDR-CYBMUJFWSA-N -1 0 329.234 4.235 50 0 EIAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccccc1-c1ccccc1 ZINC000095948216 564142293 /nfs/dbraw/zinc/14/22/93/564142293.db2.gz SXRBTEYOJGFOAL-UHFFFAOYSA-N -1 0 349.415 4.031 50 0 EIAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000096460515 564148318 /nfs/dbraw/zinc/14/83/18/564148318.db2.gz UKBJBIYPAYTWNE-UHFFFAOYSA-N -1 0 343.452 4.035 50 0 EIAARM CCOC(=O)c1sc([N-]c2nc3ccc(F)cc3s2)nc1C ZINC000004137777 564160877 /nfs/dbraw/zinc/16/08/77/564160877.db2.gz NITLWYJLFIBHHU-UHFFFAOYSA-N -1 0 337.401 4.121 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000004162387 564160966 /nfs/dbraw/zinc/16/09/66/564160966.db2.gz APCNZIHYKUFRNY-JKSUJKDBSA-N -1 0 335.359 4.192 50 0 EIAARM CC(C)c1nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2s1 ZINC000066873823 564164565 /nfs/dbraw/zinc/16/45/65/564164565.db2.gz IYDOZQULOOTLAB-QWHCGFSZSA-N -1 0 344.436 4.025 50 0 EIAARM O=C([O-])/C(=C/c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1 ZINC000010386573 564175526 /nfs/dbraw/zinc/17/55/26/564175526.db2.gz ZZBHTBXYGCYFJQ-GDNBJRDFSA-N -1 0 347.823 4.137 50 0 EIAARM COc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1 ZINC000035684456 1019028823 /nfs/dbraw/zinc/02/88/23/1019028823.db2.gz VIGYNOHYAADXQO-CLFYSBASSA-N -1 0 335.359 4.121 50 0 EIAARM O=C([O-])c1cc(/C=C\c2ccco2)nc2ccc(Br)cc21 ZINC000083326895 1040668803 /nfs/dbraw/zinc/66/88/03/1040668803.db2.gz OQGPWKLAZNTGCO-PLNGDYQASA-N -1 0 344.164 4.459 50 0 EIAARM Cc1[n-]n2c(nc(C)c(Cc3cccc(C)c3)c2=O)c1-c1ccccc1 ZINC000013828476 201918759 /nfs/dbraw/zinc/91/87/59/201918759.db2.gz DQSALGYXSBMZSC-UHFFFAOYSA-N -1 0 343.430 4.206 50 0 EIAARM CC(C)c1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000020734990 202053737 /nfs/dbraw/zinc/05/37/37/202053737.db2.gz YQYWIOPWLBXXFT-UHFFFAOYSA-N -1 0 331.375 4.369 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cnn21 ZINC000020605627 202050376 /nfs/dbraw/zinc/05/03/76/202050376.db2.gz NXIQGIXYGUPWNU-UHFFFAOYSA-N -1 0 342.569 4.055 50 0 EIAARM COc1cccc(-c2csc(SCc3ccc(C(=O)[O-])o3)n2)c1 ZINC000026421263 202142977 /nfs/dbraw/zinc/14/29/77/202142977.db2.gz NYTDUCCYYJHCTG-UHFFFAOYSA-N -1 0 347.417 4.402 50 0 EIAARM O=C(NCCOc1ccc2ccccc2c1)c1ccc([O-])c(Cl)c1 ZINC000031910183 202212677 /nfs/dbraw/zinc/21/26/77/202212677.db2.gz PEWVHQUXXUVJQR-UHFFFAOYSA-N -1 0 341.794 4.008 50 0 EIAARM CC[C@H](Nc1ncnc2sc(C(=O)[O-])c(C)c21)c1cccs1 ZINC000299765493 201354412 /nfs/dbraw/zinc/35/44/12/201354412.db2.gz NQZIUKMNUKRTFX-VIFPVBQESA-N -1 0 333.438 4.323 50 0 EIAARM O=C([O-])c1cc(-c2cccs2)nc2ccc(Br)cc21 ZINC000000210507 201448246 /nfs/dbraw/zinc/44/82/46/201448246.db2.gz KYHKYEUYJZTRCP-UHFFFAOYSA-N -1 0 334.194 4.424 50 0 EIAARM COc1ccc(C(=O)[O-])cc1COc1cccc(Cl)c1Cl ZINC000000373443 201465640 /nfs/dbraw/zinc/46/56/40/201465640.db2.gz NONUROIRQJYEIL-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c1C ZINC000002755124 201542504 /nfs/dbraw/zinc/54/25/04/201542504.db2.gz LUULTTJYSXYVEK-UHFFFAOYSA-N -1 0 346.477 4.331 50 0 EIAARM O=C([O-])Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000005763392 201662889 /nfs/dbraw/zinc/66/28/89/201662889.db2.gz INPDBCCFUWLATH-UHFFFAOYSA-N -1 0 331.677 4.173 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])n3ncc(-c4ccccc4)c3n2)cc1 ZINC000020605750 212153921 /nfs/dbraw/zinc/15/39/21/212153921.db2.gz WQOCBBGUAAWVOR-UHFFFAOYSA-N -1 0 329.359 4.070 50 0 EIAARM O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000071279860 203088239 /nfs/dbraw/zinc/08/82/39/203088239.db2.gz BGLSPYARUNTFPW-ZDUSSCGKSA-N -1 0 331.441 4.257 50 0 EIAARM CC(C)c1nc2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2s1 ZINC000071834541 203123892 /nfs/dbraw/zinc/12/38/92/203123892.db2.gz CKQLBEUPVWVFFR-UHFFFAOYSA-N -1 0 346.452 4.393 50 0 EIAARM Cc1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1 ZINC000100920366 204000641 /nfs/dbraw/zinc/00/06/41/204000641.db2.gz XRDAADOHRZVCOV-UHFFFAOYSA-N -1 0 330.391 4.047 50 0 EIAARM CCCCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c1=O ZINC000102718807 204047546 /nfs/dbraw/zinc/04/75/46/204047546.db2.gz IUVWKSSNTIAFKX-UHFFFAOYSA-N -1 0 325.412 4.070 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000393491 206237046 /nfs/dbraw/zinc/23/70/46/206237046.db2.gz ORHVEVGCWUVFNC-QZTJIDSGSA-N -1 0 335.488 4.371 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)c1 ZINC000000074508 563216618 /nfs/dbraw/zinc/21/66/18/563216618.db2.gz AGMXZQIFUQUTRH-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1C ZINC000000074511 563216554 /nfs/dbraw/zinc/21/65/54/563216554.db2.gz VPINNITWRXMTJQ-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC000000081189 563218470 /nfs/dbraw/zinc/21/84/70/563218470.db2.gz YUKYIGWFVCEKLX-UHFFFAOYSA-N -1 0 327.771 4.276 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F ZINC000000113660 563230708 /nfs/dbraw/zinc/23/07/08/563230708.db2.gz CCKZULNPDWAPMX-UHFFFAOYSA-N -1 0 335.075 4.426 50 0 EIAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl ZINC000000137065 563240764 /nfs/dbraw/zinc/24/07/64/563240764.db2.gz DDXHUKKFOWCFKU-YOEHRIQHSA-N -1 0 335.831 4.037 50 0 EIAARM COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2Cc1ccc(Cl)cc1 ZINC000000156826 563248027 /nfs/dbraw/zinc/24/80/27/563248027.db2.gz ZCEPWIDYPWMCOY-UHFFFAOYSA-N -1 0 343.810 4.287 50 0 EIAARM O=S(=O)([N-]c1ccc2oc3c(c2c1)CCCC3)c1cccs1 ZINC000000207304 563260087 /nfs/dbraw/zinc/26/00/87/563260087.db2.gz PHUDJITXCAQVEU-UHFFFAOYSA-N -1 0 333.434 4.174 50 0 EIAARM Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000000367764 563296792 /nfs/dbraw/zinc/29/67/92/563296792.db2.gz VMRYTVHWHZTFML-UHFFFAOYSA-N -1 0 340.206 4.333 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000397411 563304856 /nfs/dbraw/zinc/30/48/56/563304856.db2.gz MROIECGIYKVCQE-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM O=C(c1cnn(-c2ccc(F)cc2)c1)c1ccc2ccccc2c1[O-] ZINC000001395038 563386426 /nfs/dbraw/zinc/38/64/26/563386426.db2.gz VZKIPPMFEHDGPW-UHFFFAOYSA-N -1 0 332.334 4.101 50 0 EIAARM CC(C)(C)OC(=O)C(CC(=O)[O-])=C(c1ccccc1)c1ccccc1 ZINC000001729249 563407846 /nfs/dbraw/zinc/40/78/46/563407846.db2.gz PAJXKDRQUOFPQI-UHFFFAOYSA-N -1 0 338.403 4.305 50 0 EIAARM CCC(=O)NC([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000002311631 563429124 /nfs/dbraw/zinc/42/91/24/563429124.db2.gz JTZKEZOQKQWFDO-UHFFFAOYSA-N -1 0 348.674 4.099 50 0 EIAARM CCCOc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1OCCC ZINC000003326599 563481836 /nfs/dbraw/zinc/48/18/36/563481836.db2.gz JDFKCVWURYPNCD-UHFFFAOYSA-N -1 0 342.391 4.193 50 0 EIAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(C(C)(C)C)c21 ZINC000004540389 563504626 /nfs/dbraw/zinc/50/46/26/563504626.db2.gz DYVXSJJMPFUJLE-UHFFFAOYSA-N -1 0 328.364 4.081 50 0 EIAARM CC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccs3)cc21 ZINC000004735750 563509658 /nfs/dbraw/zinc/50/96/58/563509658.db2.gz HWBPXFFZCCZBIB-UHFFFAOYSA-N -1 0 349.433 4.115 50 0 EIAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000005235137 563523758 /nfs/dbraw/zinc/52/37/58/563523758.db2.gz YLPVUWUUEDMOGP-UHFFFAOYSA-N -1 0 339.844 4.102 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000006252597 563562702 /nfs/dbraw/zinc/56/27/02/563562702.db2.gz XBPGSUDOTLLOGQ-UHFFFAOYSA-N -1 0 343.180 4.000 50 0 EIAARM CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c2ccccc21 ZINC000004521061 563756365 /nfs/dbraw/zinc/75/63/65/563756365.db2.gz MVYXCIBMLHFNML-SFQUDFHCSA-N -1 0 345.354 4.162 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000016101145 563803604 /nfs/dbraw/zinc/80/36/04/563803604.db2.gz LYWKYUMWTCHLGM-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM Cc1cc(=O)n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)[n-]1 ZINC000022147935 563918537 /nfs/dbraw/zinc/91/85/37/563918537.db2.gz XIXNAAQUBOACNG-UHFFFAOYSA-N -1 0 326.208 4.230 50 0 EIAARM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cnc(C(C)(C)C)s1)CC2 ZINC000170633482 563935807 /nfs/dbraw/zinc/93/58/07/563935807.db2.gz ZBSXWKVOVSUMSK-JXMROGBWSA-N -1 0 345.420 4.253 50 0 EIAARM O=C([O-])c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1Cl ZINC000065355344 563958127 /nfs/dbraw/zinc/95/81/27/563958127.db2.gz HWKPSGZBLYDWBT-UHFFFAOYSA-N -1 0 343.810 4.331 50 0 EIAARM Cc1ccc(S[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000043119 563969106 /nfs/dbraw/zinc/96/91/06/563969106.db2.gz ZEARPYKPHPYVAK-MRXNPFEDSA-N -1 0 334.824 4.467 50 0 EIAARM COc1cc(C)c(C(=O)C=C([O-])c2c(C)cc(OC)cc2C)c(C)c1 ZINC000100493228 563982640 /nfs/dbraw/zinc/98/26/40/563982640.db2.gz FSTUGIAOYRQVER-UHFFFAOYSA-N -1 0 340.419 4.393 50 0 EIAARM CCOc1ccc(-n2c(C)c(C(=O)[O-])c3cc(OC)ccc32)cc1 ZINC000000181300 563987870 /nfs/dbraw/zinc/98/78/70/563987870.db2.gz YUDOKHNBPIKZTQ-UHFFFAOYSA-N -1 0 325.364 4.044 50 0 EIAARM CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000002992923 564013484 /nfs/dbraw/zinc/01/34/84/564013484.db2.gz WTOCHNNBYVSARI-UHFFFAOYSA-N -1 0 333.771 4.079 50 0 EIAARM CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000004825607 564013889 /nfs/dbraw/zinc/01/38/89/564013889.db2.gz HXPIQCCCRUYAEI-UHFFFAOYSA-N -1 0 347.798 4.179 50 0 EIAARM CCOc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000004841016 564013905 /nfs/dbraw/zinc/01/39/05/564013905.db2.gz BCHOLVLZVFOXDB-UHFFFAOYSA-N -1 0 326.179 4.350 50 0 EIAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000007604020 564015701 /nfs/dbraw/zinc/01/57/01/564015701.db2.gz RTOVERKCZHSPPU-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM C[C@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c(Cl)cccc21 ZINC000000488288 564017331 /nfs/dbraw/zinc/01/73/31/564017331.db2.gz RGOIRMSFDXYJFH-XPTSAGLGSA-N -1 0 327.767 4.247 50 0 biogenic EIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1 ZINC000007057299 564034033 /nfs/dbraw/zinc/03/40/33/564034033.db2.gz NHADPNJLVYWXHQ-ZDUSSCGKSA-N -1 0 349.452 4.018 50 0 EIAARM Cc1ccccc1OCc1nnc(-c2cc3ccccc3cc2O)o1 ZINC000001001045 564053973 /nfs/dbraw/zinc/05/39/73/564053973.db2.gz NGLOYHYGZLSFOW-UHFFFAOYSA-N -1 0 332.359 4.483 50 0 EIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000012541936 564058704 /nfs/dbraw/zinc/05/87/04/564058704.db2.gz CWDFZIYRLCAEOL-UHFFFAOYSA-N -1 0 340.448 4.215 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000003329035 564059251 /nfs/dbraw/zinc/05/92/51/564059251.db2.gz HHKVUCYTNIECOY-UHFFFAOYSA-N -1 0 347.480 4.492 50 0 EIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253262 564059847 /nfs/dbraw/zinc/05/98/47/564059847.db2.gz DUGUMKDIRJMZER-UHFFFAOYSA-N -1 0 327.808 4.151 50 0 EIAARM CC(C)N(C(=O)c1ccccc1-c1cccc(CC(=O)[O-])c1)C(C)C ZINC000534585043 564061169 /nfs/dbraw/zinc/06/11/69/564061169.db2.gz NWHVEAVNWLCPTH-UHFFFAOYSA-N -1 0 339.435 4.240 50 0 EIAARM O=C([O-])c1cccc(-n2cc(-c3cccc(C(F)(F)F)c3)cn2)c1 ZINC000001400846 564064993 /nfs/dbraw/zinc/06/49/93/564064993.db2.gz DNZWHNULRGEYBG-UHFFFAOYSA-N -1 0 332.281 4.256 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1nc(-c2ccccc2)cs1 ZINC000001414059 564065858 /nfs/dbraw/zinc/06/58/58/564065858.db2.gz BZNJRMCHIQGEIH-UHFFFAOYSA-N -1 0 347.399 4.361 50 0 EIAARM CCc1cc2c([n-]c(=S)n(CCCc3ccccc3)c2=O)s1 ZINC000006621405 564094562 /nfs/dbraw/zinc/09/45/62/564094562.db2.gz VIJSPBYHFSMFFU-UHFFFAOYSA-N -1 0 330.478 4.316 50 0 EIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820569 564096570 /nfs/dbraw/zinc/09/65/70/564096570.db2.gz KFEFJHLJBOOGAL-UHFFFAOYSA-N -1 0 346.452 4.325 50 0 EIAARM CCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820751 564096577 /nfs/dbraw/zinc/09/65/77/564096577.db2.gz BURWKQMKOZSYIG-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM Cc1cccc([N-]S(=O)(=O)c2cn(C(C)C)c3ncccc23)c1C ZINC000065242197 564103353 /nfs/dbraw/zinc/10/33/53/564103353.db2.gz MDTHMVAYYGPUIE-UHFFFAOYSA-N -1 0 343.452 4.035 50 0 EIAARM COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1O ZINC000007141289 564105400 /nfs/dbraw/zinc/10/54/00/564105400.db2.gz CXWBMISPJUYARI-JLHYYAGUSA-N -1 0 347.370 4.134 50 0 EIAARM O=C(c1cc(O)ccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1 ZINC000170607857 564109660 /nfs/dbraw/zinc/10/96/60/564109660.db2.gz XZYHIVLGQNSWEL-UHFFFAOYSA-N -1 0 347.336 4.341 50 0 EIAARM O=C([O-])Cc1sc(NCc2ccco2)nc1-c1ccc(Cl)cc1 ZINC000003357675 564157661 /nfs/dbraw/zinc/15/76/61/564157661.db2.gz UVPKKNVOCCGYGV-UHFFFAOYSA-N -1 0 348.811 4.296 50 0 EIAARM Cc1c(Cl)ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1Cl ZINC000041095273 564173115 /nfs/dbraw/zinc/17/31/15/564173115.db2.gz UITJMFZGQSNVTB-JOYOIKCWSA-N -1 0 336.284 4.159 50 0 EIAARM Cc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl ZINC000263622591 1025211833 /nfs/dbraw/zinc/21/18/33/1025211833.db2.gz SPWITMNAWUNULF-UHFFFAOYSA-N -1 0 340.166 4.362 50 0 EIAARM O=C([O-])C1C/C(=C\c2cccs2)C(=O)/C(=C\c2cccs2)C1 ZINC000095446330 1025766244 /nfs/dbraw/zinc/76/62/44/1025766244.db2.gz PWFBHCSBSDIMBE-DSOJMZEYSA-N -1 0 330.430 4.340 50 0 EIAARM O=C([O-])c1cccc(COc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000011801378 1054317576 /nfs/dbraw/zinc/31/75/76/1054317576.db2.gz OQJIYCFWRNEUMC-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000024839030 202121308 /nfs/dbraw/zinc/12/13/08/202121308.db2.gz GMLCXTCZBOSQGT-UHFFFAOYSA-N -1 0 335.372 4.185 50 0 EIAARM Cc1nccc(-c2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)n1 ZINC000031801412 202209254 /nfs/dbraw/zinc/20/92/54/202209254.db2.gz YLJHWHRYZLDSOZ-UHFFFAOYSA-N -1 0 339.782 4.063 50 0 EIAARM CCOc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(Cl)c1OC ZINC000096402166 201377257 /nfs/dbraw/zinc/37/72/57/201377257.db2.gz IQWAASIXXAJTCP-PLNGDYQASA-N -1 0 339.800 4.072 50 0 EIAARM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000000101859 201434460 /nfs/dbraw/zinc/43/44/60/201434460.db2.gz ZQPJPYCOKSOJRT-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)CCCC3 ZINC000000507435 201481075 /nfs/dbraw/zinc/48/10/75/201481075.db2.gz SHYFDWYGFKOVKX-UHFFFAOYSA-N -1 0 328.462 4.048 50 0 EIAARM Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)[O-])c23)cc1 ZINC000001935778 201522994 /nfs/dbraw/zinc/52/29/94/201522994.db2.gz PJAKGZYJOFIOMB-SNVBAGLBSA-N -1 0 330.434 4.232 50 0 EIAARM CCCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000002109219 201525628 /nfs/dbraw/zinc/52/56/28/201525628.db2.gz HTBUQHQMFMYKKY-ROUUACIJSA-N -1 0 329.440 4.415 50 0 EIAARM O=C([O-])c1ccccc1OCCCCOc1cccc2cccnc21 ZINC000002991125 201554079 /nfs/dbraw/zinc/55/40/79/201554079.db2.gz QSGOEMHTEIXUKY-UHFFFAOYSA-N -1 0 337.375 4.171 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2cc(Br)ccc21 ZINC000003156061 201558090 /nfs/dbraw/zinc/55/80/90/201558090.db2.gz GXTQJUJLORLFDN-UHFFFAOYSA-N -1 0 328.165 4.363 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000003581196 201577620 /nfs/dbraw/zinc/57/76/20/201577620.db2.gz RMVXRIIWTWSSGR-UHFFFAOYSA-N -1 0 330.236 4.357 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000004828032 201621875 /nfs/dbraw/zinc/62/18/75/201621875.db2.gz CGIKGPLGAGWVRV-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000004592077 201607729 /nfs/dbraw/zinc/60/77/29/201607729.db2.gz YCFPMUGWEZOBGH-WBMJQRKESA-N -1 0 331.799 4.173 50 0 EIAARM CCCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000065504696 202854984 /nfs/dbraw/zinc/85/49/84/202854984.db2.gz PHDKHNKTYMCBIO-QGZVFWFLSA-N -1 0 339.391 4.038 50 0 EIAARM COc1cccc(-c2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)c1 ZINC000102696645 204046260 /nfs/dbraw/zinc/04/62/60/204046260.db2.gz TXOWRJNJEODGHS-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM COc1cccc2sc([N-]c3nnc(-c4cccs4)o3)nc21 ZINC000004110653 205686198 /nfs/dbraw/zinc/68/61/98/205686198.db2.gz XHTBEVQYIUETPR-UHFFFAOYSA-N -1 0 330.394 4.160 50 0 EIAARM COc1ccc(C(=O)[O-])cc1OCc1ccc(Cl)cc1Cl ZINC000011827242 211254474 /nfs/dbraw/zinc/25/44/74/211254474.db2.gz LLKTWGCEXXTIFB-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013250333 207367088 /nfs/dbraw/zinc/36/70/88/207367088.db2.gz ADNPUEHRVNJMKI-SFHVURJKSA-N -1 0 331.799 4.020 50 0 EIAARM COc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000000107154 563228375 /nfs/dbraw/zinc/22/83/75/563228375.db2.gz GAJRDPXTPVNZLH-UHFFFAOYSA-N -1 0 347.370 4.313 50 0 EIAARM CC(=C([O-])c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000129025 563237581 /nfs/dbraw/zinc/23/75/81/563237581.db2.gz GLAKUOGZIAANQC-CYBMUJFWSA-N -1 0 336.840 4.002 50 0 EIAARM O=C([O-])CSc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000000284275 563272709 /nfs/dbraw/zinc/27/27/09/563272709.db2.gz QMIWMUPLCUJCBJ-UHFFFAOYSA-N -1 0 347.461 4.056 50 0 EIAARM CCOc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000000464426 563328094 /nfs/dbraw/zinc/32/80/94/563328094.db2.gz IJOOUASAKIALTE-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000000527901 563341760 /nfs/dbraw/zinc/34/17/60/563341760.db2.gz MEUXVMNOWUHXPO-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000001044178 563370134 /nfs/dbraw/zinc/37/01/34/563370134.db2.gz GLJDZZQQPFAEPQ-RORBGTHESA-N -1 0 330.268 4.193 50 0 EIAARM COc1ccc2oc(COc3ccc(Cl)cc3)c(C(=O)[O-])c2c1 ZINC000001421850 563388452 /nfs/dbraw/zinc/38/84/52/563388452.db2.gz NVKFNXWHGLEPAQ-UHFFFAOYSA-N -1 0 332.739 4.372 50 0 EIAARM O=S(=O)([N-]c1cccc2ccccc21)c1cccc2cccnc21 ZINC000001578964 563393847 /nfs/dbraw/zinc/39/38/47/563393847.db2.gz IFQPGRGUBFPSKH-UHFFFAOYSA-N -1 0 334.400 4.189 50 0 EIAARM CC1=C(C)C[C@H](C(=O)c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000002304898 563429112 /nfs/dbraw/zinc/42/91/12/563429112.db2.gz WKBLOZSJOWBALR-UONOGXRCSA-N -1 0 337.213 4.079 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000002550683 563440566 /nfs/dbraw/zinc/44/05/66/563440566.db2.gz BVXBOSFRFPTSOV-ZWKOTPCHSA-N -1 0 338.407 4.260 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000003642135 563487140 /nfs/dbraw/zinc/48/71/40/563487140.db2.gz HRJNUKJWFNXOCP-UHFFFAOYSA-N -1 0 329.318 4.069 50 0 EIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(O)cc1 ZINC000004491984 563503588 /nfs/dbraw/zinc/50/35/88/563503588.db2.gz CBIXWXTVMPMPRJ-UHFFFAOYSA-N -1 0 333.343 4.010 50 0 EIAARM Cc1cc(C)c(NC(=O)CSc2ccccc2C(=O)[O-])c(C)c1 ZINC000005302556 563526072 /nfs/dbraw/zinc/52/60/72/563526072.db2.gz LXOKGYDBYATRAC-UHFFFAOYSA-N -1 0 329.421 4.041 50 0 EIAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000002737953 563607924 /nfs/dbraw/zinc/60/79/24/563607924.db2.gz BFHAWHBQNCIXGI-UHFFFAOYSA-N -1 0 346.452 4.120 50 0 EIAARM [O-]c1ccccc1-c1nc2ccccc2c(NCc2cccnc2)n1 ZINC000013121819 563870778 /nfs/dbraw/zinc/87/07/78/563870778.db2.gz MTMNCZKFTUQNJT-UHFFFAOYSA-N -1 0 328.375 4.010 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000000034757 563967835 /nfs/dbraw/zinc/96/78/35/563967835.db2.gz YVZXXBUYNATFEK-NWDGAFQWSA-N -1 0 342.222 4.379 50 0 EIAARM CC(=O)C[C@H](c1ccc(Cl)cc1)c1c([O-])c2ccccc2oc1=O ZINC000100030921 563982292 /nfs/dbraw/zinc/98/22/92/563982292.db2.gz DEKWZWCFHUABHE-OAHLLOKOSA-N -1 0 342.778 4.263 50 0 in-vitro EIAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000000375613 563991868 /nfs/dbraw/zinc/99/18/68/563991868.db2.gz OAMMKHQGBULZLE-UHFFFAOYSA-N -1 0 340.404 4.157 50 0 EIAARM Cc1[n-]n2c(nc(C)c(CCC(C)C)c2=O)c1-c1ccc(F)cc1 ZINC000018222473 564018884 /nfs/dbraw/zinc/01/88/84/564018884.db2.gz AKGUOCNLISQOSM-UHFFFAOYSA-N -1 0 327.403 4.034 50 0 EIAARM O=C([O-])Cc1sc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000008133576 564034765 /nfs/dbraw/zinc/03/47/65/564034765.db2.gz GTKYODSIOQSXAA-UHFFFAOYSA-N -1 0 330.796 4.153 50 0 EIAARM O=c1c2[nH]c(-c3ccccc3)cc2[n-]c(=S)n1Cc1ccccc1 ZINC000015828850 564075742 /nfs/dbraw/zinc/07/57/42/564075742.db2.gz LXPAFTHRBKYOJR-UHFFFAOYSA-N -1 0 333.416 4.102 50 0 EIAARM O=C(c1cnc2c(c1)snc2-c1ccccc1)c1ccccc1[O-] ZINC000521396840 564090909 /nfs/dbraw/zinc/09/09/09/564090909.db2.gz GVFJTELUFSFSKP-UHFFFAOYSA-N -1 0 332.384 4.295 50 0 EIAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000006588855 564092367 /nfs/dbraw/zinc/09/23/67/564092367.db2.gz ICKVXTXNDKKDGP-UHFFFAOYSA-N -1 0 338.860 4.142 50 0 EIAARM Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)[O-])cc2)n1 ZINC000005069116 564093205 /nfs/dbraw/zinc/09/32/05/564093205.db2.gz QPMFXKLDLDBXFX-UHFFFAOYSA-N -1 0 336.416 4.443 50 0 EIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)o1 ZINC000065003845 564099428 /nfs/dbraw/zinc/09/94/28/564099428.db2.gz CMPIOVWMAUWNPN-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)on1 ZINC000006887779 564100763 /nfs/dbraw/zinc/10/07/63/564100763.db2.gz KNWBSSNUFAMYKX-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Cl ZINC000006940642 564101915 /nfs/dbraw/zinc/10/19/15/564101915.db2.gz ADLFZWJQAGRORH-UHFFFAOYSA-N -1 0 343.688 4.309 50 0 EIAARM O=C([O-])CSc1nccc2c(OCc3ccc(F)cc3)cccc21 ZINC000036708208 564105031 /nfs/dbraw/zinc/10/50/31/564105031.db2.gz KRISYRUQJGTRRE-UHFFFAOYSA-N -1 0 343.379 4.130 50 0 EIAARM CCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000002629751 564151408 /nfs/dbraw/zinc/15/14/08/564151408.db2.gz FBNHUGGZLHNFQK-UHFFFAOYSA-N -1 0 330.236 4.357 50 0 EIAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000002922863 564153059 /nfs/dbraw/zinc/15/30/59/564153059.db2.gz DUJFDTGMUKWELI-UHFFFAOYSA-N -1 0 335.812 4.231 50 0 EIAARM CCc1cc2c(cc1[O-])oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000006519574 568414789 /nfs/dbraw/zinc/41/47/89/568414789.db2.gz TZJIZXMKZQKKLA-UHFFFAOYSA-N -1 0 338.359 4.019 50 0 biogenic EIAARM O=C([O-])c1ccc(/C=C\C(=O)c2cccc(Br)c2)cc1 ZINC000096766187 1026365564 /nfs/dbraw/zinc/36/55/64/1026365564.db2.gz ZATZEMDOTSEDOA-TWGQIWQCSA-N -1 0 331.165 4.043 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000005800116 1054097655 /nfs/dbraw/zinc/09/76/55/1054097655.db2.gz QNLYWGYEWJQRBR-JKSUJKDBSA-N -1 0 336.391 4.036 50 0 EIAARM COCc1nc(=O)c2sc(-c3ccc(-c4ccccc4)cc3)cc2[n-]1 ZINC000053853216 214202993 /nfs/dbraw/zinc/20/29/93/214202993.db2.gz KCGTWBDXZDBYEL-UHFFFAOYSA-N -1 0 348.427 4.465 50 0 EIAARM Cc1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1 ZINC000101275616 219120514 /nfs/dbraw/zinc/12/05/14/219120514.db2.gz PWQINSVOADEXCU-UHFFFAOYSA-N -1 0 339.445 4.026 50 0 EIAARM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012731768 201863227 /nfs/dbraw/zinc/86/32/27/201863227.db2.gz RPBVHEVTQXVWDL-KHPPLWFESA-N -1 0 330.343 4.383 50 0 EIAARM COc1ccc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)cc1Cl ZINC000021657787 202067988 /nfs/dbraw/zinc/06/79/88/202067988.db2.gz QYYXWEUMHDPGID-UHFFFAOYSA-N -1 0 342.782 4.069 50 0 EIAARM CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000027641243 202158373 /nfs/dbraw/zinc/15/83/73/202158373.db2.gz YRFLKMLJQWGIIZ-APRRXLQMSA-N -1 0 338.488 4.072 50 0 in-vitro EIAARM Cc1ccc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)cc1C ZINC000027994025 202162277 /nfs/dbraw/zinc/16/22/77/202162277.db2.gz MVPTZZZADWKBAN-UHFFFAOYSA-N -1 0 340.354 4.115 50 0 EIAARM Cc1cccc(C[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)[O-])c1 ZINC000035141761 213009589 /nfs/dbraw/zinc/00/95/89/213009589.db2.gz DDKGFWOFCUDATO-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM O=C(/C=C\c1cccs1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000033340371 202259733 /nfs/dbraw/zinc/25/97/33/202259733.db2.gz GSNKIISOASPDRH-FPLPWBNLSA-N -1 0 333.434 4.039 50 0 EIAARM O=C([O-])c1cn(C2CC2)c2cc(Cl)c(-c3ccccc3)cc2c1=O ZINC000072434070 216229164 /nfs/dbraw/zinc/22/91/64/216229164.db2.gz AZJGRRKURPZHLD-UHFFFAOYSA-N -1 0 339.778 4.355 50 0 EIAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1C ZINC000023389795 212374338 /nfs/dbraw/zinc/37/43/38/212374338.db2.gz JYQBSDYPHHLZLT-UHFFFAOYSA-N -1 0 345.342 4.003 50 0 EIAARM O=C([O-])C[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000000069521 201430424 /nfs/dbraw/zinc/43/04/24/201430424.db2.gz JIQUCSVRHVPBKE-QGZVFWFLSA-N -1 0 337.419 4.153 50 0 EIAARM O=C([O-])CCOc1ccc(/C=C\c2nc3ccccc3s2)cc1 ZINC000207832073 241064093 /nfs/dbraw/zinc/06/40/93/241064093.db2.gz ZHOVMMCGFVRVEX-YFHOEESVSA-N -1 0 325.389 4.320 50 0 EIAARM CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000367871 201465219 /nfs/dbraw/zinc/46/52/19/201465219.db2.gz NZJKSMWOYLWTRB-UHFFFAOYSA-N -1 0 341.407 4.090 50 0 EIAARM CCOC(=O)N=c1[n-]nc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000000615949 201490066 /nfs/dbraw/zinc/49/00/66/201490066.db2.gz YNRXIIBKQUEFCN-UHFFFAOYSA-N -1 0 332.212 4.004 50 0 EIAARM O=C([O-])CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003126300 201558082 /nfs/dbraw/zinc/55/80/82/201558082.db2.gz GKJHKTABFYRMPR-INIZCTEOSA-N -1 0 334.824 4.472 50 0 EIAARM COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000003885011 201583423 /nfs/dbraw/zinc/58/34/23/201583423.db2.gz ZDXPPQLCLKFYBQ-WYMLVPIESA-N -1 0 331.371 4.428 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000004724375 201614405 /nfs/dbraw/zinc/61/44/05/201614405.db2.gz IGZCDZIYCVPQKN-CABCVRRESA-N -1 0 329.783 4.012 50 0 EIAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004841584 201622825 /nfs/dbraw/zinc/62/28/25/201622825.db2.gz HNRMKFWAKCVXRX-UHFFFAOYSA-N -1 0 334.199 4.242 50 0 EIAARM CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000004893675 201625886 /nfs/dbraw/zinc/62/58/86/201625886.db2.gz VDBPMDLICMFYOB-ZIAGYGMSSA-N -1 0 342.222 4.379 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1\CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000069841698 203054830 /nfs/dbraw/zinc/05/48/30/203054830.db2.gz QIVQZCBZOYAYPL-JLHYYAGUSA-N -1 0 333.391 4.150 50 0 EIAARM CCc1[n-]n2c(nc(-c3ccccc3OC)cc2=O)c1-c1ccccc1 ZINC000253496408 244004859 /nfs/dbraw/zinc/00/48/59/244004859.db2.gz AJLPZVXPUFIJFN-UHFFFAOYSA-N -1 0 345.402 4.340 50 0 EIAARM Cc1[n-]n2c(nc(-c3ccccc3Cl)cc2=O)c1-c1ccccc1 ZINC000101173393 204001853 /nfs/dbraw/zinc/00/18/53/204001853.db2.gz DZLNMIIZYUELPJ-UHFFFAOYSA-N -1 0 335.794 4.318 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000152874 206208007 /nfs/dbraw/zinc/20/80/07/206208007.db2.gz XSKHEFXKJMMMEA-UHFFFAOYSA-N -1 0 327.380 4.308 50 0 EIAARM Cc1cccc(N[C@@H](c2cccc(C(F)(F)F)c2)[P@@](=O)([O-])O)c1 ZINC000012527128 207165110 /nfs/dbraw/zinc/16/51/10/207165110.db2.gz DNTJBZFGZNLBKA-CQSZACIVSA-N -1 0 345.257 4.302 50 0 EIAARM Cc1ccc(-n2c(CCc3ccc(O)cc3)n[n-]c2=S)c(C)c1 ZINC000000067497 563214408 /nfs/dbraw/zinc/21/44/08/563214408.db2.gz ASQVWTNHYZMYBS-UHFFFAOYSA-N -1 0 325.437 4.038 50 0 EIAARM CC(=C([O-])c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000129023 563237595 /nfs/dbraw/zinc/23/75/95/563237595.db2.gz GLAKUOGZIAANQC-ZDUSSCGKSA-N -1 0 336.840 4.002 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000153460 563247100 /nfs/dbraw/zinc/24/71/00/563247100.db2.gz BDWDJDAQUSMMIO-UONOGXRCSA-N -1 0 337.158 4.073 50 0 EIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)c1 ZINC000000183426 563254807 /nfs/dbraw/zinc/25/48/07/563254807.db2.gz IASOPMYEJWEQJT-UHFFFAOYSA-N -1 0 332.450 4.022 50 0 EIAARM O=C([O-])c1ccc(N2C(=S)c3cccc4cccc(c43)C2=S)cc1 ZINC000000389351 563303789 /nfs/dbraw/zinc/30/37/89/563303789.db2.gz AWATZEYWNRZITM-UHFFFAOYSA-N -1 0 349.436 4.409 50 0 EIAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000000529184 563342089 /nfs/dbraw/zinc/34/20/89/563342089.db2.gz LELIVFDUMJCPKY-UHFFFAOYSA-N -1 0 339.844 4.156 50 0 EIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000002511621 563435278 /nfs/dbraw/zinc/43/52/78/563435278.db2.gz WERAVAVZZMWCOE-LLVKDONJSA-N -1 0 334.199 4.034 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000004788847 563511335 /nfs/dbraw/zinc/51/13/35/563511335.db2.gz UWUZCLHLXCTCOL-UHFFFAOYSA-N -1 0 329.396 4.141 50 0 EIAARM CCOc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000004843233 563513629 /nfs/dbraw/zinc/51/36/29/563513629.db2.gz WJYIDGXCYCXILL-UHFFFAOYSA-N -1 0 326.179 4.350 50 0 EIAARM Cc1nc(-c2c(=O)c3ccc([O-])c(C)c3oc2C(F)(F)F)cs1 ZINC000005730085 563547681 /nfs/dbraw/zinc/54/76/81/563547681.db2.gz IYZXZWFVYFTLCD-UHFFFAOYSA-N -1 0 341.310 4.258 50 0 EIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccc(F)cc1 ZINC000006557398 563572455 /nfs/dbraw/zinc/57/24/55/563572455.db2.gz ZQDBDHHLUGHZAN-UHFFFAOYSA-N -1 0 340.228 4.449 50 0 EIAARM Cc1cc(C)cc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000008742750 563638794 /nfs/dbraw/zinc/63/87/94/563638794.db2.gz ARZXQXRYFQLUKD-UHFFFAOYSA-N -1 0 340.814 4.182 50 0 EIAARM O=c1[n-]c(Nc2ccc3ccccc3c2)nnc1Cc1ccccc1 ZINC000008743275 563638841 /nfs/dbraw/zinc/63/88/41/563638841.db2.gz HOHDLEAPYKSTLX-UHFFFAOYSA-N -1 0 328.375 4.065 50 0 EIAARM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000011565881 563649943 /nfs/dbraw/zinc/64/99/43/563649943.db2.gz RZGKYEUMKBSGBK-UHFFFAOYSA-N -1 0 348.468 4.103 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000013041293 563686430 /nfs/dbraw/zinc/68/64/30/563686430.db2.gz OWZUZAIKDLBILM-UHFFFAOYSA-N -1 0 349.761 4.468 50 0 EIAARM CCCc1c(C)nc2[n-]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000018240920 563851379 /nfs/dbraw/zinc/85/13/79/563851379.db2.gz AAQQGRZQNIDPEM-UHFFFAOYSA-N -1 0 348.859 4.037 50 0 EIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccc1O ZINC000000167830 563916951 /nfs/dbraw/zinc/91/69/51/563916951.db2.gz MJNITMIGRPVYGZ-UHFFFAOYSA-N -1 0 333.343 4.010 50 0 EIAARM CC[C@@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000237079 563917144 /nfs/dbraw/zinc/91/71/44/563917144.db2.gz YCUGYQJADWATHB-ABAIWWIYSA-N -1 0 341.436 4.270 50 0 EIAARM CC(C)Cc1cc(C(F)(F)F)c2c(n1)sc1c2[nH]c(=O)cc1[O-] ZINC000067622406 563962382 /nfs/dbraw/zinc/96/23/82/563962382.db2.gz SSQKBUUOPNHKRI-UHFFFAOYSA-N -1 0 342.342 4.061 50 0 EIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3sncc3c2)c(Cl)c1 ZINC000097102630 563967752 /nfs/dbraw/zinc/96/77/52/563967752.db2.gz HMALGBPIEOKIEC-UHFFFAOYSA-N -1 0 338.841 4.059 50 0 EIAARM C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)[O-] ZINC000091695597 563975712 /nfs/dbraw/zinc/97/57/12/563975712.db2.gz HRZHMTUSHFHEDZ-MRVPVSSYSA-N -1 0 345.704 4.273 50 0 EIAARM C[C@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)[O-] ZINC000091695593 563975725 /nfs/dbraw/zinc/97/57/25/563975725.db2.gz HRZHMTUSHFHEDZ-QMMMGPOBSA-N -1 0 345.704 4.273 50 0 EIAARM Cc1cc(=O)oc2cc3c(cc12)[C@@H](C)CC(C)(C)N3CCCC(=O)[O-] ZINC000100655485 563982698 /nfs/dbraw/zinc/98/26/98/563982698.db2.gz CORGJZNTIXXSQK-ZDUSSCGKSA-N -1 0 343.423 4.058 50 0 EIAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc2ccccc2c1 ZINC000000383468 563992004 /nfs/dbraw/zinc/99/20/04/563992004.db2.gz ROBQXRWSRKYODI-UHFFFAOYSA-N -1 0 340.429 4.250 50 0 EIAARM O=C([O-])c1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000033586709 563993313 /nfs/dbraw/zinc/99/33/13/563993313.db2.gz GINIPFAEYBMZGQ-YXJHDRRASA-N -1 0 336.347 4.120 50 0 EIAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000005568236 564005569 /nfs/dbraw/zinc/00/55/69/564005569.db2.gz WJQSCJUDCZCHIJ-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM COC(=O)c1[n-]c(=NNc2ccccc2)sc1-c1ccccc1 ZINC000000537452 564022085 /nfs/dbraw/zinc/02/20/85/564022085.db2.gz BDAQMNGLZJBQKA-UHFFFAOYSA-N -1 0 325.393 4.036 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccsc1 ZINC000044916363 564027727 /nfs/dbraw/zinc/02/77/27/564027727.db2.gz QKUWSMNFBNTJEY-ZDUSSCGKSA-N -1 0 338.388 4.361 50 0 EIAARM Cc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1 ZINC000004181893 564065194 /nfs/dbraw/zinc/06/51/94/564065194.db2.gz DCPTUUUKRBBYNN-UHFFFAOYSA-N -1 0 340.604 4.369 50 0 EIAARM C[C@@H](Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000012863146 564075786 /nfs/dbraw/zinc/07/57/86/564075786.db2.gz AMASOMUMKBLQNJ-MRVPVSSYSA-N -1 0 328.151 4.033 50 0 EIAARM CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)O2)cc1 ZINC000006459305 564087908 /nfs/dbraw/zinc/08/79/08/564087908.db2.gz RREMZUKAHJITRP-ATVHPVEESA-N -1 0 349.386 4.027 50 0 EIAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccsc3)no2)cc1 ZINC000065153421 564102073 /nfs/dbraw/zinc/10/20/73/564102073.db2.gz YUVFAEZEZDZEAK-UHFFFAOYSA-N -1 0 348.449 4.327 50 0 EIAARM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000095465021 564140951 /nfs/dbraw/zinc/14/09/51/564140951.db2.gz KKJYSJAPFWSNBT-UHFFFAOYSA-N -1 0 348.358 4.034 50 0 EIAARM O=C([O-])c1ccccc1OCc1csc(Nc2ccccc2)n1 ZINC000002649601 564151870 /nfs/dbraw/zinc/15/18/70/564151870.db2.gz VZNZEGGENXSRNQ-UHFFFAOYSA-N -1 0 326.377 4.164 50 0 EIAARM CC(C)Oc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1 ZINC000057354816 564153655 /nfs/dbraw/zinc/15/36/55/564153655.db2.gz LFDNDONVRBCAGS-UHFFFAOYSA-N -1 0 347.374 4.032 50 0 EIAARM COc1cccc(-c2nnc([N-]c3nc4ccc(F)cc4s3)o2)c1 ZINC000004137793 564160850 /nfs/dbraw/zinc/16/08/50/564160850.db2.gz AUHRKZFAETVRCN-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM c1ccc2sc([N-]c3nc4cc5c(cc4s3)OCO5)nc2c1 ZINC000004137811 564160874 /nfs/dbraw/zinc/16/08/74/564160874.db2.gz JJXVDMDKAYLNFO-UHFFFAOYSA-N -1 0 327.390 4.378 50 0 EIAARM CCc1cc2c(cc1[O-])oc(C)c(-c1cnn(-c3ccccc3)c1)c2=O ZINC000006519572 568414785 /nfs/dbraw/zinc/41/47/85/568414785.db2.gz VIXXUZHVFLAEGH-UHFFFAOYSA-N -1 0 346.386 4.222 50 0 EIAARM Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1Cl ZINC000320323733 1027897110 /nfs/dbraw/zinc/89/71/10/1027897110.db2.gz XBHVVHWXZGWLOM-UHFFFAOYSA-N -1 0 331.799 4.226 50 0 EIAARM COc1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003905370 210090570 /nfs/dbraw/zinc/09/05/70/210090570.db2.gz YDRVDKPCLGEAEG-UHFFFAOYSA-N -1 0 341.480 4.406 50 0 EIAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015018111 201947911 /nfs/dbraw/zinc/94/79/11/201947911.db2.gz UQRBGHZHWYCNEX-WBAXXEDZSA-N -1 0 327.355 4.158 50 0 EIAARM O=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[n-]c2ccc(F)cc21 ZINC000020726648 202053942 /nfs/dbraw/zinc/05/39/42/202053942.db2.gz OOCBXPGOHAOENT-UHFFFAOYSA-N -1 0 341.729 4.038 50 0 EIAARM O=C([O-])c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC000022148454 202079576 /nfs/dbraw/zinc/07/95/76/202079576.db2.gz FTEMDLUDGXXSNL-UHFFFAOYSA-N -1 0 325.195 4.146 50 0 EIAARM O=c1[nH]c2ccc(OCc3ccccc3)cc2c([O-])c1-c1ccccc1 ZINC000012376549 202133172 /nfs/dbraw/zinc/13/31/72/202133172.db2.gz CZIICUJFBWSQSD-UHFFFAOYSA-N -1 0 343.382 4.480 50 0 biogenic,in-vitro EIAARM O=S(=O)([N-]c1ccccc1O)c1ccc(C2CCCCC2)cc1 ZINC000032602004 202228545 /nfs/dbraw/zinc/22/85/45/202228545.db2.gz OTHYZYZLJXMKBC-UHFFFAOYSA-N -1 0 331.437 4.241 50 0 EIAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000032971338 202244685 /nfs/dbraw/zinc/24/46/85/202244685.db2.gz CBXQCVUEQIDPRR-UHFFFAOYSA-N -1 0 346.408 4.167 50 0 EIAARM C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000035142213 202287341 /nfs/dbraw/zinc/28/73/41/202287341.db2.gz QJSLJLSQEYRTPS-MLGOLLRUSA-N -1 0 331.799 4.173 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000035142183 202288230 /nfs/dbraw/zinc/28/82/30/202288230.db2.gz ZZMZJZDPUQHIJM-IUODEOHRSA-N -1 0 345.826 4.482 50 0 EIAARM Cc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1C ZINC000038654246 202405006 /nfs/dbraw/zinc/40/50/06/202405006.db2.gz FVLWISJFVPXRAN-UHFFFAOYSA-N -1 0 335.338 4.001 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000156161 201357449 /nfs/dbraw/zinc/35/74/49/201357449.db2.gz HYCRWYWSIPMWFA-UHFFFAOYSA-N -1 0 333.343 4.429 50 0 EIAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2ccc(C)cc2C)c1F ZINC000003651458 201579517 /nfs/dbraw/zinc/57/95/17/201579517.db2.gz QIZMVIMSHWTMOO-UHFFFAOYSA-N -1 0 325.286 4.171 50 0 EIAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@]1(C)C(=O)[O-] ZINC000004990525 201631468 /nfs/dbraw/zinc/63/14/68/201631468.db2.gz VCVVCJOWADKOTC-MGPLVRAMSA-N -1 0 344.238 4.459 50 0 EIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820560 202818605 /nfs/dbraw/zinc/81/86/05/202818605.db2.gz FPURUKVQOTVXFT-UHFFFAOYSA-N -1 0 346.452 4.325 50 0 EIAARM O=C([O-])/C=C/c1ccc(OCc2cccc(Br)c2)cc1 ZINC000020526500 212143804 /nfs/dbraw/zinc/14/38/04/212143804.db2.gz WHGITLCBKQFKKC-RMKNXTFCSA-N -1 0 333.181 4.126 50 0 EIAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccccc1-c1ccccc1 ZINC000072301877 203197433 /nfs/dbraw/zinc/19/74/33/203197433.db2.gz YQMDKCHFFXPVSI-UHFFFAOYSA-N -1 0 349.415 4.031 50 0 EIAARM C[C@@H](Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1)C(=O)[O-] ZINC000091695613 203647253 /nfs/dbraw/zinc/64/72/53/203647253.db2.gz YFPQWXOCSBAHLC-MRVPVSSYSA-N -1 0 345.704 4.273 50 0 EIAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(F)cc1 ZINC000101029787 204001231 /nfs/dbraw/zinc/00/12/31/204001231.db2.gz ISWXTLNKTQUNBZ-UHFFFAOYSA-N -1 0 347.393 4.449 50 0 EIAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000000533646 206238864 /nfs/dbraw/zinc/23/88/64/206238864.db2.gz VEULLLNZXWXERE-DYVFJYSZSA-N -1 0 342.395 4.100 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000000442187 206241485 /nfs/dbraw/zinc/24/14/85/206241485.db2.gz OQRMATCKSZYIBL-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002814773 206417948 /nfs/dbraw/zinc/41/79/48/206417948.db2.gz AJQDUVANDXBKQI-UHFFFAOYSA-N -1 0 343.688 4.309 50 0 EIAARM COc1ccc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc1OC ZINC000095972660 218477062 /nfs/dbraw/zinc/47/70/62/218477062.db2.gz OQILHQSUTYODDG-XVNBXDOJSA-N -1 0 335.359 4.121 50 0 EIAARM Cc1cccc(N[C@@H](c2ccc3ccccc3c2)[P@@](=O)([O-])O)c1 ZINC000012523576 207164782 /nfs/dbraw/zinc/16/47/82/207164782.db2.gz KXCAYIGWYCCKRL-GOSISDBHSA-N -1 0 327.320 4.437 50 0 EIAARM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2c(c1)CCCC2 ZINC000013468403 207448248 /nfs/dbraw/zinc/44/82/48/207448248.db2.gz HJUIRAIUVPPWPU-OAHLLOKOSA-N -1 0 343.467 4.168 50 0 EIAARM Cc1ccc2oc(=O)cc(C[P@](=O)([O-])CCc3ccccc3)c2c1 ZINC000032124351 518190122 /nfs/dbraw/zinc/19/01/22/518190122.db2.gz FXVQRJJZVLCXKH-UHFFFAOYSA-N -1 0 342.331 4.115 50 0 biogenic EIAARM COc1cccc(C(=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 ZINC000011827785 563651520 /nfs/dbraw/zinc/65/15/20/563651520.db2.gz XKTJZJHAWHKPSC-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 ZINC000000340361 563286016 /nfs/dbraw/zinc/28/60/16/563286016.db2.gz MEFQIQSMCDBSST-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM CC(C)CC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002306236 563429087 /nfs/dbraw/zinc/42/90/87/563429087.db2.gz MRYJNXLXQXZWQO-STQMWFEESA-N -1 0 325.836 4.442 50 0 EIAARM Cc1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1C(=O)[O-] ZINC000000152168 563246386 /nfs/dbraw/zinc/24/63/86/563246386.db2.gz ZDGOKVILTIFGJK-UHFFFAOYSA-N -1 0 348.358 4.133 50 0 EIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)c(OCC)c1 ZINC000000205038 563259393 /nfs/dbraw/zinc/25/93/93/563259393.db2.gz OPQKIVHATIKTHV-UHFFFAOYSA-N -1 0 337.375 4.397 50 0 EIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000000248922 563266484 /nfs/dbraw/zinc/26/64/84/563266484.db2.gz WOOLMZVPYBXIHC-UHFFFAOYSA-N -1 0 333.453 4.003 50 0 EIAARM CC(C)(C)c1cc2oc3c(c2c2cc(C(=O)[O-])c(=O)oc21)CCCC3 ZINC000000349875 563289136 /nfs/dbraw/zinc/28/91/36/563289136.db2.gz UUCYGIOJIUTBDT-UHFFFAOYSA-N -1 0 340.375 4.414 50 0 EIAARM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000000384615 563301318 /nfs/dbraw/zinc/30/13/18/563301318.db2.gz GVVFHXLUHMYHGM-UHFFFAOYSA-N -1 0 347.823 4.303 50 0 EIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000000527943 563341806 /nfs/dbraw/zinc/34/18/06/563341806.db2.gz XXHVTEPTYPSZFH-UHFFFAOYSA-N -1 0 339.844 4.075 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCC[C@@H](C)C3)n2)c1[O-] ZINC000000554632 563345149 /nfs/dbraw/zinc/34/51/49/563345149.db2.gz QZGLKAPEKDFRMX-CQSZACIVSA-N -1 0 349.434 4.247 50 0 EIAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000614758 563357420 /nfs/dbraw/zinc/35/74/20/563357420.db2.gz SVEAIHMCVLUEFV-UHFFFAOYSA-N -1 0 329.446 4.363 50 0 EIAARM CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)cc1 ZINC000002534236 563439894 /nfs/dbraw/zinc/43/98/94/563439894.db2.gz YATGANCZYPICPO-UHFFFAOYSA-N -1 0 349.312 4.237 50 0 EIAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[O-])cc12 ZINC000003319610 563481311 /nfs/dbraw/zinc/48/13/11/563481311.db2.gz QYQPMXGCKWQWTQ-UHFFFAOYSA-N -1 0 341.219 4.460 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000004554168 563505104 /nfs/dbraw/zinc/50/51/04/563505104.db2.gz ROXPXIRBZRKPJV-CQSZACIVSA-N -1 0 338.190 4.132 50 0 EIAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl ZINC000004814492 563512042 /nfs/dbraw/zinc/51/20/42/563512042.db2.gz OBZZZEMSANPTGN-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM CC(=O)Oc1cccc2ccc(/C=C/c3ccc(C(=O)[O-])cc3)nc21 ZINC000005102212 563520957 /nfs/dbraw/zinc/52/09/57/563520957.db2.gz UOFLWBKHEFRNQH-YRNVUSSQSA-N -1 0 333.343 4.029 50 0 EIAARM CC1(C)S[C@@H](c2cccc(Oc3ccccc3)c2)N[C@@H]1C(=O)[O-] ZINC000005304817 563526077 /nfs/dbraw/zinc/52/60/77/563526077.db2.gz BBJUNDLJULMHLT-CVEARBPZSA-N -1 0 329.421 4.046 50 0 EIAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000008729536 563638102 /nfs/dbraw/zinc/63/81/02/563638102.db2.gz FHESYNCDSOLDNQ-ZZXKWVIFSA-N -1 0 327.561 4.460 50 0 EIAARM CCCCC[C@H](O)/C=C/C=C\C=C\[C@@H](O)C/C=C\CCCC(=O)[O-] ZINC000008860448 563640276 /nfs/dbraw/zinc/64/02/76/563640276.db2.gz NNPWRKSGORGTIM-HCCKYKKOSA-N -1 0 336.472 4.158 50 0 endogenous,in-man EIAARM COc1ccccc1-c1cc(CSc2ccccc2C(=O)[O-])on1 ZINC000012978366 563680979 /nfs/dbraw/zinc/68/09/79/563680979.db2.gz CEENGFXCWKJTPN-UHFFFAOYSA-N -1 0 341.388 4.341 50 0 EIAARM CCOC(=O)c1ccc(Nc2cc(C)nc(-c3ccccc3[O-])n2)cc1 ZINC000013121822 563688962 /nfs/dbraw/zinc/68/89/62/563688962.db2.gz OQFBKYDAAJGQJA-UHFFFAOYSA-N -1 0 349.390 4.078 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCCC[C@@H]3C)n2)c1[O-] ZINC000013127691 563689708 /nfs/dbraw/zinc/68/97/08/563689708.db2.gz WNPXRNJEBMRJGV-AWEZNQCLSA-N -1 0 349.434 4.390 50 0 EIAARM Cc1cccc(NC(=O)/C=C(\C(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000022023148 563918429 /nfs/dbraw/zinc/91/84/29/563918429.db2.gz XHJBDLHNCPPYQO-GDNBJRDFSA-N -1 0 329.783 4.064 50 0 EIAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@]1(C)C(=O)[O-] ZINC000022779931 563918664 /nfs/dbraw/zinc/91/86/64/563918664.db2.gz ILDYKPGXKROROM-QFYYESIMSA-N -1 0 344.238 4.459 50 0 EIAARM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2Cl)cc1Cl ZINC000097017590 563966762 /nfs/dbraw/zinc/96/67/62/563966762.db2.gz CJPGKYCDKQVONN-UHFFFAOYSA-N -1 0 328.126 4.083 50 0 EIAARM O=c1c(Cc2ccccc2)c([O-])c2ccccc2n1-c1ccccc1 ZINC000100249882 563982463 /nfs/dbraw/zinc/98/24/63/563982463.db2.gz XYZVKUSTVPKIKZ-UHFFFAOYSA-N -1 0 327.383 4.287 50 0 biogenic,in-vitro EIAARM CCCCOc1c(Br)cc(/C=C/C(=O)[O-])cc1OCC ZINC000011954800 563995590 /nfs/dbraw/zinc/99/55/90/563995590.db2.gz JQKBDTVAAAPKKC-VOTSOKGWSA-N -1 0 343.217 4.125 50 0 EIAARM O=c1nc(CN2CCC[C@@H]2/C=C/c2ccccc2)[n-]c2ccsc21 ZINC000253630341 563999336 /nfs/dbraw/zinc/99/93/36/563999336.db2.gz VCZIARZZSGIXME-XVJNWHFHSA-N -1 0 337.448 4.075 50 0 EIAARM CCc1nc2c3ccccc3oc2c(Nc2cccc(C(=O)[O-])c2)n1 ZINC000005246127 564001543 /nfs/dbraw/zinc/00/15/43/564001543.db2.gz INFNDJLKCPPBDW-UHFFFAOYSA-N -1 0 333.347 4.380 50 0 EIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000514278 564020438 /nfs/dbraw/zinc/02/04/38/564020438.db2.gz XYBTWEXBWWWDDE-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=C([O-])C1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 ZINC000027057925 564041248 /nfs/dbraw/zinc/04/12/48/564041248.db2.gz MVEOAQMQEOGCEP-UHFFFAOYSA-N -1 0 342.395 4.069 50 0 EIAARM COc1ccccc1-c1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000239235281 564051574 /nfs/dbraw/zinc/05/15/74/564051574.db2.gz VRZNGXXKZJBBAZ-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000005996934 564057502 /nfs/dbraw/zinc/05/75/02/564057502.db2.gz CWZCAZOTMOHRJJ-UHFFFAOYSA-N -1 0 345.811 4.116 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012538941 564058462 /nfs/dbraw/zinc/05/84/62/564058462.db2.gz MRRLFRUHBSEITB-ZJUUUORDSA-N -1 0 328.359 4.353 50 0 EIAARM O=C([O-])C[C@H](NC(=O)CCC1CCCCC1)c1ccccc1Cl ZINC000003399351 564059567 /nfs/dbraw/zinc/05/95/67/564059567.db2.gz WSFFMRPPFDIXIY-INIZCTEOSA-N -1 0 337.847 4.333 50 0 EIAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 ZINC000064820778 564096590 /nfs/dbraw/zinc/09/65/90/564096590.db2.gz DACZZVGHMCQJMA-UHFFFAOYSA-N -1 0 340.423 4.150 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)s2)on1 ZINC000006887768 564100735 /nfs/dbraw/zinc/10/07/35/564100735.db2.gz AMILKJULUIKBIO-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1cccs1 ZINC000007055998 564103953 /nfs/dbraw/zinc/10/39/53/564103953.db2.gz PEUWNAIZWWQGBR-UHFFFAOYSA-N -1 0 329.402 4.448 50 0 EIAARM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)o1 ZINC000170651471 564120474 /nfs/dbraw/zinc/12/04/74/564120474.db2.gz PUDSOADDYNRFPC-YGRLFVJLSA-N -1 0 347.361 4.192 50 0 EIAARM Cc1cccc(NC2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)c1 ZINC000096421773 564147944 /nfs/dbraw/zinc/14/79/44/564147944.db2.gz XMFKUKULIHDIKN-UHFFFAOYSA-N -1 0 344.842 4.071 50 0 EIAARM COc1ccccc1-c1nnc([N-]c2nc3c(cccc3F)s2)o1 ZINC000004137694 564160871 /nfs/dbraw/zinc/16/08/71/564160871.db2.gz IYACVKALHBUEKK-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM c1c2nc([N-]c3nc4c(s3)CCCC4)sc2cc2c1OCO2 ZINC000004137812 564160872 /nfs/dbraw/zinc/16/08/72/564160872.db2.gz LLZBUFJVLLAABD-UHFFFAOYSA-N -1 0 331.422 4.104 50 0 EIAARM Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(Cl)cc1Cl ZINC000041095262 564173097 /nfs/dbraw/zinc/17/30/97/564173097.db2.gz FAGAWXMXNXBFOW-TVQRCGJNSA-N -1 0 336.284 4.159 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccc(C)cc4)c(C)c3n2)cc1 ZINC000100692458 568416119 /nfs/dbraw/zinc/41/61/19/568416119.db2.gz FFKCWNHVIJPBSC-UHFFFAOYSA-N -1 0 345.402 4.394 50 0 EIAARM COc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OC(C)C ZINC000095472051 1026695869 /nfs/dbraw/zinc/69/58/69/1026695869.db2.gz RUZXDOSZXJLLSG-UHFFFAOYSA-N -1 0 329.396 4.101 50 0 EIAARM O=C([O-])c1ccc(COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000011887587 1054346678 /nfs/dbraw/zinc/34/66/78/1054346678.db2.gz OWSRHBTZNUCAPC-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)on1 ZINC000006887783 201703858 /nfs/dbraw/zinc/70/38/58/201703858.db2.gz RDDVGKLLQFYEKC-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=C([O-])c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000007603928 201723752 /nfs/dbraw/zinc/72/37/52/201723752.db2.gz SXJYAFNCLLJTTA-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM Cc1nn(C)c(C)c1/C=C1\CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000008427685 201749551 /nfs/dbraw/zinc/74/95/51/201749551.db2.gz MOWPOKDSHHOPTR-SDNWHVSQSA-N -1 0 347.418 4.160 50 0 EIAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000013388855 201894086 /nfs/dbraw/zinc/89/40/86/201894086.db2.gz CICXYBUCWMRUSW-NSHDSACASA-N -1 0 344.219 4.001 50 0 EIAARM CCOc1c(CNc2ccc(C(=O)[O-])c(Cl)c2)cccc1OC ZINC000020175474 202035909 /nfs/dbraw/zinc/03/59/09/202035909.db2.gz LMCFBFOPMBQAMU-UHFFFAOYSA-N -1 0 335.787 4.058 50 0 EIAARM COc1ccc2ccc(-c3nn(-c4ccccc4)cc3C(=O)[O-])cc2c1 ZINC000038342477 202401689 /nfs/dbraw/zinc/40/16/89/202401689.db2.gz WYCWYJSWJWFDRO-UHFFFAOYSA-N -1 0 344.370 4.399 50 0 EIAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005686280 201361539 /nfs/dbraw/zinc/36/15/39/201361539.db2.gz GACSXBPWZFKEQE-UHFFFAOYSA-N -1 0 338.359 4.155 50 0 biogenic EIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000298878 201358204 /nfs/dbraw/zinc/35/82/04/201358204.db2.gz JJDSUPROAPQFLB-ROUUACIJSA-N -1 0 337.375 4.084 50 0 EIAARM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000003628938 201579047 /nfs/dbraw/zinc/57/90/47/201579047.db2.gz VCSLAJAFVDYRDD-SJORKVTESA-N -1 0 345.826 4.166 50 0 EIAARM CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000006415809 201681308 /nfs/dbraw/zinc/68/13/08/201681308.db2.gz PXSHKJUCKYODKO-UHFFFAOYSA-N -1 0 329.343 4.069 50 0 EIAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000071279092 203088961 /nfs/dbraw/zinc/08/89/61/203088961.db2.gz JRSCTHFGVUTRIU-SSDOTTSWSA-N -1 0 343.191 4.272 50 0 EIAARM O=C([O-])C(CCCOc1ccccc1)CCCOc1ccccc1 ZINC000071769201 203112206 /nfs/dbraw/zinc/11/22/06/203112206.db2.gz ZTJKRHBNJNEIMG-UHFFFAOYSA-N -1 0 328.408 4.406 50 0 EIAARM O=C(OC(=C([O-])c1ccco1)c1ccco1)c1ccc(Cl)cc1 ZINC000020413117 212126929 /nfs/dbraw/zinc/12/69/29/212126929.db2.gz MZJNSUYYSMLRLA-MRXNPFEDSA-N -1 0 330.723 4.307 50 0 EIAARM C[C@H]1c2ccccc2C(C)(C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N21 ZINC000004029028 205670787 /nfs/dbraw/zinc/67/07/87/205670787.db2.gz NQBARXGSXIAIJK-YVEFUNNKSA-N -1 0 335.403 4.324 50 0 biogenic EIAARM Cc1nc2ccc(NC(=O)CC3(C(=O)[O-])CCCCCC3)cc2s1 ZINC000013249555 207368081 /nfs/dbraw/zinc/36/80/81/207368081.db2.gz JYWNYBGMTBJEQJ-UHFFFAOYSA-N -1 0 346.452 4.359 50 0 EIAARM O=c1nc(CN2CCC[C@H]2/C=C/c2ccccc2)[n-]c2ccsc21 ZINC000253630340 257998757 /nfs/dbraw/zinc/99/87/57/257998757.db2.gz VCZIARZZSGIXME-HVHJFMEUSA-N -1 0 337.448 4.075 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@@H]1C(=O)[O-] ZINC000072233739 563986036 /nfs/dbraw/zinc/98/60/36/563986036.db2.gz VRVLZGWUBIRQEC-LSDHHAIUSA-N -1 0 325.449 4.057 50 0 EIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000246067 563266064 /nfs/dbraw/zinc/26/60/64/563266064.db2.gz XGRVQGBXNPZNRZ-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000000145368 563244182 /nfs/dbraw/zinc/24/41/82/563244182.db2.gz XAGDIEHCVWGSKC-UHFFFAOYSA-N -1 0 338.841 4.059 50 0 EIAARM O=C([N-]C(=O)c1c(Cl)cccc1Cl)Oc1ccc(F)cc1F ZINC000000167416 563249934 /nfs/dbraw/zinc/24/99/34/563249934.db2.gz BGQSZDNVOAWGFQ-UHFFFAOYSA-N -1 0 346.116 4.200 50 0 EIAARM O=C([O-])/C=C/c1ccccc1Oc1ccc(Br)cc1F ZINC000000168014 563249948 /nfs/dbraw/zinc/24/99/48/563249948.db2.gz VDHMQMOFCCSGMC-VMPITWQZSA-N -1 0 337.144 4.478 50 0 EIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000211542 563260777 /nfs/dbraw/zinc/26/07/77/563260777.db2.gz MWMBWJGMBMRZGL-UHFFFAOYSA-N -1 0 339.844 4.075 50 0 EIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000000619273 563360937 /nfs/dbraw/zinc/36/09/37/563360937.db2.gz KIEFLEGSCKVMIT-UHFFFAOYSA-N -1 0 339.844 4.075 50 0 EIAARM Cc1ccc2nc([N-]c3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000001255885 563381699 /nfs/dbraw/zinc/38/16/99/563381699.db2.gz LGCCTRUFSUQBLC-UHFFFAOYSA-N -1 0 333.317 4.107 50 0 EIAARM CC(C)CC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002306237 563429008 /nfs/dbraw/zinc/42/90/08/563429008.db2.gz MRYJNXLXQXZWQO-QWHCGFSZSA-N -1 0 325.836 4.442 50 0 EIAARM CCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3[nH]2)c1=O ZINC000003188715 563475952 /nfs/dbraw/zinc/47/59/52/563475952.db2.gz ZRMUGVIQLQKBBD-UHFFFAOYSA-N -1 0 333.391 4.051 50 0 EIAARM Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000003220568 563477262 /nfs/dbraw/zinc/47/72/62/563477262.db2.gz WZTUEUPFBCQGES-UHFFFAOYSA-N -1 0 343.386 4.403 50 0 EIAARM Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000003220743 563477299 /nfs/dbraw/zinc/47/72/99/563477299.db2.gz RNBNZWAFCTWSHQ-UHFFFAOYSA-N -1 0 329.359 4.094 50 0 EIAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000003357033 563482893 /nfs/dbraw/zinc/48/28/93/563482893.db2.gz XKOYOZWWGPMEKE-DHZHZOJOSA-N -1 0 338.794 4.350 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000003680482 563487524 /nfs/dbraw/zinc/48/75/24/563487524.db2.gz VQAJKAHGYFKISS-UHFFFAOYSA-N -1 0 343.180 4.000 50 0 EIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000003833364 563488185 /nfs/dbraw/zinc/48/81/85/563488185.db2.gz LFCKNGGSTRZVNU-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM Cc1ccc(-n2cnc3nc(C)c(C(=O)[O-])c(-c4ccccc4)c32)cc1 ZINC000004350963 563501128 /nfs/dbraw/zinc/50/11/28/563501128.db2.gz ASNCEWHDNFWJLC-UHFFFAOYSA-N -1 0 343.386 4.403 50 0 EIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccccc1F ZINC000006557535 563572416 /nfs/dbraw/zinc/57/24/16/563572416.db2.gz BHKGZFCTXDOADQ-UHFFFAOYSA-N -1 0 340.228 4.449 50 0 EIAARM CCCCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000011565905 563649920 /nfs/dbraw/zinc/64/99/20/563649920.db2.gz OKZHZPUIZDMTCO-UHFFFAOYSA-N -1 0 348.468 4.185 50 0 EIAARM COc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000011945110 563652367 /nfs/dbraw/zinc/65/23/67/563652367.db2.gz GGXSVUIRHBNBFW-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM CC(C)c1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccccc3F)c2n1 ZINC000012397984 563660013 /nfs/dbraw/zinc/66/00/13/563660013.db2.gz SVSMIJLUFCNBTH-UHFFFAOYSA-N -1 0 339.370 4.259 50 0 EIAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000013857750 563726859 /nfs/dbraw/zinc/72/68/59/563726859.db2.gz MWIYWIPJFAPZAS-UHFFFAOYSA-N -1 0 335.359 4.435 50 0 EIAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000014257063 563756494 /nfs/dbraw/zinc/75/64/94/563756494.db2.gz SVLQUUIFKKWEJN-UHFFFAOYSA-N -1 0 339.844 4.102 50 0 EIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000015497521 563785536 /nfs/dbraw/zinc/78/55/36/563785536.db2.gz HAMBQEBJUGHLAV-UHFFFAOYSA-N -1 0 334.199 4.242 50 0 EIAARM O=c1[n-]c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000016777300 563822920 /nfs/dbraw/zinc/82/29/20/563822920.db2.gz AUQVHFYZPPOMIG-UHFFFAOYSA-N -1 0 329.812 4.190 50 0 EIAARM C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000000139487 563916981 /nfs/dbraw/zinc/91/69/81/563916981.db2.gz SVGBNTOHFITEDI-MRVPVSSYSA-N -1 0 328.151 4.033 50 0 EIAARM Cc1nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n2c(=O)c1Cl ZINC000102339471 563919515 /nfs/dbraw/zinc/91/95/15/563919515.db2.gz ZNRWCNYGSHPJDM-UHFFFAOYSA-N -1 0 349.821 4.242 50 0 EIAARM CCOc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC)cc2)cc1 ZINC000004608538 563930717 /nfs/dbraw/zinc/93/07/17/563930717.db2.gz SPAYSDYFFWZZJB-UHFFFAOYSA-N -1 0 327.409 4.004 50 0 EIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2F)cc1 ZINC000004689763 563964420 /nfs/dbraw/zinc/96/44/20/563964420.db2.gz WQVKUGIYCFULAW-KRWDZBQOSA-N -1 0 343.398 4.069 50 0 EIAARM CCOc1ccc(C(=O)C[C@@H](Sc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000044801 563970396 /nfs/dbraw/zinc/97/03/96/563970396.db2.gz OUFNCLQTZLIOIN-GOSISDBHSA-N -1 0 344.432 4.212 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000004742731 563972998 /nfs/dbraw/zinc/97/29/98/563972998.db2.gz AVJHUCZIOBUUFZ-UHFFFAOYSA-N -1 0 327.405 4.039 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc3ccccc3c2)CC[C@@]1(C)C(=O)[O-] ZINC000000190246 563988101 /nfs/dbraw/zinc/98/81/01/563988101.db2.gz CLINVXMMKYZOKG-UZLBHIALSA-N -1 0 325.408 4.305 50 0 EIAARM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2)c(O)c(C(C)C)c1 ZINC000000239864 563989105 /nfs/dbraw/zinc/98/91/05/563989105.db2.gz FXCSOBJGXKQAJS-UHFFFAOYSA-N -1 0 333.453 4.440 50 0 EIAARM Cc1nc(C)c(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)s1 ZINC000000246697 563989409 /nfs/dbraw/zinc/98/94/09/563989409.db2.gz SSOYFCMOBWMOMS-UHFFFAOYSA-N -1 0 331.422 4.325 50 0 EIAARM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000005127154 563994475 /nfs/dbraw/zinc/99/44/75/563994475.db2.gz APCDGRKDFPMDGG-UHFFFAOYSA-N -1 0 338.841 4.059 50 0 EIAARM CC(C)[C@H](Oc1ccc(C(C)(C)C)cc1Br)C(=O)[O-] ZINC000011946104 563995573 /nfs/dbraw/zinc/99/55/73/563995573.db2.gz GFNIVFZTLONKDR-ZDUSSCGKSA-N -1 0 329.234 4.235 50 0 EIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000000454239 564000254 /nfs/dbraw/zinc/00/02/54/564000254.db2.gz LRSHYPNHUWBDGG-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccco1 ZINC000061719008 564000407 /nfs/dbraw/zinc/00/04/07/564000407.db2.gz MFLINBFISKNCJW-LLVKDONJSA-N -1 0 339.372 4.180 50 0 EIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](C(C)C)CC(=O)N3)cc1 ZINC000061718886 564000426 /nfs/dbraw/zinc/00/04/26/564000426.db2.gz FSLCBZHHGYAZPA-LBPRGKRZSA-N -1 0 345.420 4.204 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000045923046 564028901 /nfs/dbraw/zinc/02/89/01/564028901.db2.gz MVWDOWWQLGTDQC-DLBZAZTESA-N -1 0 343.810 4.114 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000007053106 564034035 /nfs/dbraw/zinc/03/40/35/564034035.db2.gz SLYHBMXOUUJFEC-UHFFFAOYSA-N -1 0 329.343 4.123 50 0 EIAARM Cc1cc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)Nc1c(C)cc(C)cc1-2 ZINC000000818047 564034999 /nfs/dbraw/zinc/03/49/99/564034999.db2.gz WYTZFJRKYWCPAY-IBGZPJMESA-N -1 0 333.391 4.146 50 0 EIAARM CSc1ccc2cc(CS[C@@H](C)C(=O)[O-])c(Cl)nc2c1 ZINC000012764681 564067928 /nfs/dbraw/zinc/06/79/28/564067928.db2.gz QVGXEXGDMPTODB-QMMMGPOBSA-N -1 0 327.858 4.316 50 0 EIAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3CCCc4ccccc43)c12 ZINC000299779824 564075061 /nfs/dbraw/zinc/07/50/61/564075061.db2.gz RDBDABFPYFBWBY-ZDUSSCGKSA-N -1 0 339.420 4.187 50 0 EIAARM Cc1csc(NC(=O)CCC(=O)[O-])c1-c1nc2ccccc2s1 ZINC000000148408 564082507 /nfs/dbraw/zinc/08/25/07/564082507.db2.gz VDJKVPOJYYOABS-UHFFFAOYSA-N -1 0 346.433 4.137 50 0 EIAARM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1c([O-])cc(F)cc1F ZINC000064090119 564085029 /nfs/dbraw/zinc/08/50/29/564085029.db2.gz QWLHGHICUDNZCJ-UHFFFAOYSA-N -1 0 346.358 4.410 50 0 EIAARM O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 ZINC000016661371 564092166 /nfs/dbraw/zinc/09/21/66/564092166.db2.gz VUIVNIRTYXJXCX-XKQJLSEDSA-N -1 0 329.783 4.283 50 0 EIAARM COc1ccc(-c2nnc(NC(=O)c3oc4ccccc4c3C)o2)cc1 ZINC000006825384 564098932 /nfs/dbraw/zinc/09/89/32/564098932.db2.gz XYMBEFNQWOUAOS-UHFFFAOYSA-N -1 0 349.346 4.052 50 0 EIAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c(C)c1 ZINC000065031119 564099766 /nfs/dbraw/zinc/09/97/66/564099766.db2.gz HMYXECROFABOTN-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000007402224 564107916 /nfs/dbraw/zinc/10/79/16/564107916.db2.gz MRUMJYRVMVCVBG-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000002637426 564151607 /nfs/dbraw/zinc/15/16/07/564151607.db2.gz JIYGYNFRAASBDF-UHFFFAOYSA-N -1 0 329.874 4.500 50 0 EIAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccccc1F ZINC000003326415 564157350 /nfs/dbraw/zinc/15/73/50/564157350.db2.gz RYGPRMQAYRHXKN-UHFFFAOYSA-N -1 0 343.379 4.419 50 0 EIAARM Brc1cccc(-c2csc([N-]c3ncccn3)n2)c1 ZINC000067321963 564165674 /nfs/dbraw/zinc/16/56/74/564165674.db2.gz RPENUBATCKXGQO-UHFFFAOYSA-N -1 0 333.214 4.106 50 0 EIAARM O=C(Nc1cccc(Cl)c1[O-])c1sccc1Br ZINC000172110707 564167181 /nfs/dbraw/zinc/16/71/81/564167181.db2.gz YWNDVXLWQRSPNC-UHFFFAOYSA-N -1 0 332.606 4.122 50 0 EIAARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc(Cl)c2)c1[O-] ZINC000254905129 1025004785 /nfs/dbraw/zinc/00/47/85/1025004785.db2.gz HHWZOXALYKSWIV-UHFFFAOYSA-N -1 0 326.139 4.053 50 0 EIAARM COc1ccc(O)c(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000100638056 1027866502 /nfs/dbraw/zinc/86/65/02/1027866502.db2.gz HXPFPZVBPXBBRN-UHFFFAOYSA-N -1 0 326.392 4.154 50 0 EIAARM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 ZINC000033850349 1048207805 /nfs/dbraw/zinc/20/78/05/1048207805.db2.gz FIFNKYABEMUIAF-TWGQIWQCSA-N -1 0 330.796 4.352 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c21 ZINC000020605637 202049976 /nfs/dbraw/zinc/04/99/76/202049976.db2.gz OXOGXLVDBGZIDF-UHFFFAOYSA-N -1 0 334.306 4.394 50 0 EIAARM CCCCC[C@H](O)/C=C/[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000027640604 202158597 /nfs/dbraw/zinc/15/85/97/202158597.db2.gz HYBPXYQCXNOTFK-DUSCRHDRSA-N -1 0 340.504 4.296 50 0 in-vitro EIAARM O=C(Nc1nc2ccc(F)cc2s1)c1cc(-c2cccs2)on1 ZINC000027991841 202162213 /nfs/dbraw/zinc/16/22/13/202162213.db2.gz UYVHJXLCGHHPGX-UHFFFAOYSA-N -1 0 345.380 4.404 50 0 EIAARM CCOc1ccc2c(c1)[C@H](SCCC(=O)[O-])CC1(CCCC1)O2 ZINC000032918806 202241570 /nfs/dbraw/zinc/24/15/70/202241570.db2.gz TWBORUDDGBKBQZ-MRXNPFEDSA-N -1 0 336.453 4.430 50 0 EIAARM CCOc1ccc2c(c1)[C@@H](SCCC(=O)[O-])CC1(CCCC1)O2 ZINC000032918807 202242216 /nfs/dbraw/zinc/24/22/16/202242216.db2.gz TWBORUDDGBKBQZ-INIZCTEOSA-N -1 0 336.453 4.430 50 0 EIAARM CCCCSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000032948495 202243546 /nfs/dbraw/zinc/24/35/46/202243546.db2.gz HZHAHENVQKYLKG-UHFFFAOYSA-N -1 0 349.506 4.397 50 0 EIAARM Cc1nc2ccc(NC(=O)CC3(CC(=O)[O-])CCCCC3)cc2s1 ZINC000032496870 212804680 /nfs/dbraw/zinc/80/46/80/212804680.db2.gz CKBLHGBDPAMCJN-UHFFFAOYSA-N -1 0 346.452 4.359 50 0 EIAARM Cc1oc2cc3oc(=O)c(CC(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000004043865 201360700 /nfs/dbraw/zinc/36/07/00/201360700.db2.gz HAYRZBNXGUAOJV-UHFFFAOYSA-N -1 0 348.354 4.450 50 0 biogenic EIAARM Cc1sc(NC(=O)c2ccccc2C(=O)[O-])nc1-c1ccccc1 ZINC000000105824 201435415 /nfs/dbraw/zinc/43/54/15/201435415.db2.gz NGRQRRKOFUJWHP-UHFFFAOYSA-N -1 0 338.388 4.069 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000000109874 201436571 /nfs/dbraw/zinc/43/65/71/201436571.db2.gz OHMNZXDXOKJCME-UXHICEINSA-N -1 0 349.430 4.385 50 0 EIAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)[O-])C1 ZINC000000191636 201446260 /nfs/dbraw/zinc/44/62/60/201446260.db2.gz ACLUEOBQFRYTQS-JTQLQIEISA-N -1 0 347.436 4.443 50 0 in-vitro EIAARM O=C([O-])/C=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000003349706 201567790 /nfs/dbraw/zinc/56/77/90/201567790.db2.gz PVMKJLHSQVMCQM-ZHACJKMWSA-N -1 0 338.794 4.350 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000006668226 201690145 /nfs/dbraw/zinc/69/01/45/201690145.db2.gz IAOHTVXMLUTPEE-GJZGRUSLSA-N -1 0 341.407 4.141 50 0 EIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](C(C)C)SC(C)=N2 ZINC000072402928 203214740 /nfs/dbraw/zinc/21/47/40/203214740.db2.gz NNNIRAMHFXEIFD-HNNXBMFYSA-N -1 0 329.425 4.373 50 0 EIAARM O=C([O-])c1cccc(CC2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000077471764 203390239 /nfs/dbraw/zinc/39/02/39/203390239.db2.gz CCYDCZCORVLJHZ-UHFFFAOYSA-N -1 0 346.430 4.392 50 0 EIAARM O=C([O-])CCc1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000097166007 203931359 /nfs/dbraw/zinc/93/13/59/203931359.db2.gz DAGIFGMPGCHTCL-UHFFFAOYSA-N -1 0 341.338 4.077 50 0 EIAARM CCCc1nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c(=O)c1Cl ZINC000100129940 203989977 /nfs/dbraw/zinc/98/99/77/203989977.db2.gz IXBOFFNUTOUGMJ-UHFFFAOYSA-N -1 0 336.222 4.257 50 0 EIAARM Cc1ccc(NC(=O)c2ccccc2)c(C(=O)CCCCC(=O)[O-])c1 ZINC000003107245 205642273 /nfs/dbraw/zinc/64/22/73/205642273.db2.gz IQGHAJXKHNHDOC-UHFFFAOYSA-N -1 0 339.391 4.075 50 0 EIAARM COc1ccc(-c2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1OC ZINC000000057774 206371660 /nfs/dbraw/zinc/37/16/60/206371660.db2.gz JTCIOJBYCMFIEC-UHFFFAOYSA-N -1 0 346.766 4.145 50 0 biogenic,in-vitro EIAARM O=C([O-])c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000263639835 564056479 /nfs/dbraw/zinc/05/64/79/564056479.db2.gz LBLAFCVTZLLJAR-UHFFFAOYSA-N -1 0 331.677 4.031 50 0 EIAARM O=C([O-])c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000000031386 563211671 /nfs/dbraw/zinc/21/16/71/563211671.db2.gz KQPUCASWMPCCHY-UHFFFAOYSA-N -1 0 331.371 4.155 50 0 EIAARM O=C(CSC(=S)[N-]Nc1ccccc1)c1ccc(Cl)cc1 ZINC000000093233 563223126 /nfs/dbraw/zinc/22/31/26/563223126.db2.gz WWLIFMGGMGACTE-UHFFFAOYSA-N -1 0 336.869 4.158 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101855 563226257 /nfs/dbraw/zinc/22/62/57/563226257.db2.gz LZWDAQVZAPNWLA-UHFFFAOYSA-N -1 0 330.236 4.357 50 0 EIAARM Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc(C)c1F ZINC000000140451 563241984 /nfs/dbraw/zinc/24/19/84/563241984.db2.gz JVUSVLUQMXGABO-UHFFFAOYSA-N -1 0 331.771 4.036 50 0 EIAARM O=C([O-])c1ccc2c(c1)ncn2-c1ccc(OCc2ccccc2)cc1 ZINC000000266901 563268844 /nfs/dbraw/zinc/26/88/44/563268844.db2.gz SKWAXTSMPNUADM-UHFFFAOYSA-N -1 0 344.370 4.303 50 0 EIAARM CC1=C(C)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000002942792 563464288 /nfs/dbraw/zinc/46/42/88/563464288.db2.gz LYWUAZCAWKLZHC-ZIAGYGMSSA-N -1 0 341.329 4.091 50 0 EIAARM CCCCn1c2ccc(C(F)(F)F)cc2nc1SCC(=O)[O-] ZINC000003888507 563490521 /nfs/dbraw/zinc/49/05/21/563490521.db2.gz HKZNNPXOHXDRCW-UHFFFAOYSA-N -1 0 332.347 4.032 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)NCc1csc2ccc(Cl)cc12 ZINC000004324908 563500108 /nfs/dbraw/zinc/50/01/08/563500108.db2.gz MBHWJUCXXKRCMY-UHFFFAOYSA-N -1 0 339.844 4.062 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000004593157 563505744 /nfs/dbraw/zinc/50/57/44/563505744.db2.gz DKFMYTUWVPWBLF-ZDUSSCGKSA-N -1 0 338.190 4.132 50 0 EIAARM Cc1nn(Cc2ccccc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395944 563659692 /nfs/dbraw/zinc/65/96/92/563659692.db2.gz INGANDBCBKZWMG-UHFFFAOYSA-N -1 0 343.386 4.153 50 0 EIAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000013388853 563697341 /nfs/dbraw/zinc/69/73/41/563697341.db2.gz CICXYBUCWMRUSW-LLVKDONJSA-N -1 0 344.219 4.001 50 0 EIAARM Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000000448593 563917524 /nfs/dbraw/zinc/91/75/24/563917524.db2.gz ZMJVHHYEDXRKOA-UHFFFAOYSA-N -1 0 335.359 4.134 50 0 EIAARM CCCCCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000041092040 563924218 /nfs/dbraw/zinc/92/42/18/563924218.db2.gz BDBVEQHGPLDZAS-UHFFFAOYSA-N -1 0 349.452 4.070 50 0 EIAARM CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c1C ZINC000058342864 563942991 /nfs/dbraw/zinc/94/29/91/563942991.db2.gz MJZAEPAGNOCFCD-UHFFFAOYSA-N -1 0 340.404 4.323 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccc(F)cc1)Sc1ccc(Cl)cc1 ZINC000000031606 563967563 /nfs/dbraw/zinc/96/75/63/563967563.db2.gz YOSTYLCSFOUGCX-HNNXBMFYSA-N -1 0 338.787 4.297 50 0 EIAARM C[C@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(Cl)cc21 ZINC000000209297 563988470 /nfs/dbraw/zinc/98/84/70/563988470.db2.gz PYHHWEGRVRNGQT-VFZGTOFNSA-N -1 0 327.767 4.247 50 0 biogenic EIAARM CC(C)Cc1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000000363598 563991685 /nfs/dbraw/zinc/99/16/85/563991685.db2.gz LFYWPGMHLLTRNW-AWEZNQCLSA-N -1 0 326.392 4.292 50 0 EIAARM O=C(/C=C/c1ccco1)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000004859563 563992123 /nfs/dbraw/zinc/99/21/23/563992123.db2.gz WWJDTCKZONJWRU-CMDGGOBGSA-N -1 0 339.372 4.358 50 0 EIAARM C[C@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(Cl)cc21 ZINC000000209301 563998250 /nfs/dbraw/zinc/99/82/50/563998250.db2.gz PYHHWEGRVRNGQT-BJOHPYRUSA-N -1 0 327.767 4.247 50 0 EIAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(F)c(F)c1F ZINC000005602265 564006244 /nfs/dbraw/zinc/00/62/44/564006244.db2.gz LNOHJQVEOHLKPQ-UHFFFAOYSA-N -1 0 337.322 4.058 50 0 EIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000514272 564020436 /nfs/dbraw/zinc/02/04/36/564020436.db2.gz TWCGFXQOUOALIY-UHFFFAOYSA-N -1 0 333.453 4.102 50 0 EIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1cccs1)CCCC3 ZINC000017070543 564024849 /nfs/dbraw/zinc/02/48/49/564024849.db2.gz JXRYEPWKRMEYHK-UHFFFAOYSA-N -1 0 334.491 4.109 50 0 EIAARM Cc1oc2cc([O-])ccc2c(=O)c1Oc1ccccc1Br ZINC000005955721 564057296 /nfs/dbraw/zinc/05/72/96/564057296.db2.gz CQGFBFQVJSEHDB-UHFFFAOYSA-N -1 0 347.164 4.362 50 0 EIAARM CC(C)N(C(=O)c1ccccc1-c1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000534648220 564061503 /nfs/dbraw/zinc/06/15/03/564061503.db2.gz ZYCXYUCKIGNNSO-UHFFFAOYSA-N -1 0 343.398 4.450 50 0 EIAARM CC(C)N(C(=O)c1ccccc1-c1csc(C(=O)[O-])c1)C(C)C ZINC000534666281 564061549 /nfs/dbraw/zinc/06/15/49/564061549.db2.gz ISHPZOJAMVGBBV-UHFFFAOYSA-N -1 0 331.437 4.372 50 0 EIAARM CSc1ccc2cc(CS[C@H](C)C(=O)[O-])c(Cl)nc2c1 ZINC000012764685 564067930 /nfs/dbraw/zinc/06/79/30/564067930.db2.gz QVGXEXGDMPTODB-MRVPVSSYSA-N -1 0 327.858 4.316 50 0 EIAARM C[C@H](Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000012863153 564075783 /nfs/dbraw/zinc/07/57/83/564075783.db2.gz AMASOMUMKBLQNJ-QMMMGPOBSA-N -1 0 328.151 4.033 50 0 EIAARM O=C([O-])c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000004542528 564076012 /nfs/dbraw/zinc/07/60/12/564076012.db2.gz SLEVHEUSHMZZMJ-UHFFFAOYSA-N -1 0 329.440 4.492 50 0 EIAARM CCCCc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000006502313 564091066 /nfs/dbraw/zinc/09/10/66/564091066.db2.gz DCNGGIAPDZVKMN-UHFFFAOYSA-N -1 0 331.437 4.033 50 0 EIAARM COc1ccc(-c2noc([N-]c3cc(C)c(Cl)cc3OC)n2)cc1 ZINC000006805596 564098358 /nfs/dbraw/zinc/09/83/58/564098358.db2.gz VCKWNGOKKVGGRW-UHFFFAOYSA-N -1 0 345.786 4.459 50 0 EIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000007056413 564103994 /nfs/dbraw/zinc/10/39/94/564103994.db2.gz NBTHAVFJPCCUCQ-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000065322748 564105264 /nfs/dbraw/zinc/10/52/64/564105264.db2.gz VWDSNTBXHBJRJP-UHFFFAOYSA-N -1 0 344.374 4.147 50 0 EIAARM COc1ccc2nc(-c3ccccc3)cc(S[C@H](C)C(=O)[O-])c2c1 ZINC000057312191 564153550 /nfs/dbraw/zinc/15/35/50/564153550.db2.gz KERCCIFRSLBUIE-GFCCVEGCSA-N -1 0 339.416 4.476 50 0 EIAARM CCCCCc1c(C)c2ccc(O[C@@H](CC)C(=O)[O-])cc2oc1=O ZINC000004109584 564160597 /nfs/dbraw/zinc/16/05/97/564160597.db2.gz ANOQLUYMPCZOPM-INIZCTEOSA-N -1 0 332.396 4.076 50 0 EIAARM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccccc1Cl ZINC000009220143 564171466 /nfs/dbraw/zinc/17/14/66/564171466.db2.gz ODIIZBPSCYIBDA-UHFFFAOYSA-N -1 0 343.835 4.393 50 0 EIAARM CCOC(=O)N=c1[n-]nc(S[C@H]2CCCc3ccccc32)s1 ZINC000070014776 564173304 /nfs/dbraw/zinc/17/33/04/564173304.db2.gz QSZWENKSHZMJHT-LBPRGKRZSA-N -1 0 335.454 4.276 50 0 EIAARM Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)[n-]1 ZINC000004989563 1025117490 /nfs/dbraw/zinc/11/74/90/1025117490.db2.gz RDTGBVNIVOODQB-UHFFFAOYSA-N -1 0 328.375 4.010 50 0 EIAARM O=C(c1cnc2cc3c(cc2c1)OC1(CCCC1)O3)c1ccccc1[O-] ZINC000014128756 1025511984 /nfs/dbraw/zinc/51/19/84/1025511984.db2.gz MTZKGFRFMZWADW-UHFFFAOYSA-N -1 0 347.370 4.213 50 0 EIAARM O=c1nc(CN2CCC[C@H]2/C=C\c2ccccc2)[n-]c2ccsc21 ZINC000543731555 1043081728 /nfs/dbraw/zinc/08/17/28/1043081728.db2.gz VCZIARZZSGIXME-CDNLZTBQSA-N -1 0 337.448 4.075 50 0 EIAARM CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2ccno2)c1[O-] ZINC000032608330 1045493446 /nfs/dbraw/zinc/49/34/46/1045493446.db2.gz FQHSVQRVGOBETD-UHFFFAOYSA-N -1 0 333.343 4.383 50 0 EIAARM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)o2)c1 ZINC000191042223 1048829712 /nfs/dbraw/zinc/82/97/12/1048829712.db2.gz QFRJZZXHYCACJZ-FQEVSTJZSA-N -1 0 341.407 4.007 50 0 EIAARM Cc1nc(S[C@H](C(=O)[O-])c2ccccc2)cc(-c2ccccc2)n1 ZINC000004279262 210159232 /nfs/dbraw/zinc/15/92/32/210159232.db2.gz OMWZPDYSDWZBQJ-SFHVURJKSA-N -1 0 336.416 4.370 50 0 EIAARM O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008986846 201766226 /nfs/dbraw/zinc/76/62/26/201766226.db2.gz XHEYPBCCEGVDPS-LLVKDONJSA-N -1 0 338.190 4.190 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(Cl)cc1Cl ZINC000102324273 219194544 /nfs/dbraw/zinc/19/45/44/219194544.db2.gz VLGDDAMQEOTOBU-UHFFFAOYSA-N -1 0 337.231 4.040 50 0 EIAARM O=C([O-])c1cc(/C=C/c2ccco2)nc2ccc(Br)cc21 ZINC000022144168 202079464 /nfs/dbraw/zinc/07/94/64/202079464.db2.gz OQGPWKLAZNTGCO-SNAWJCMRSA-N -1 0 344.164 4.459 50 0 EIAARM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000022514181 202086083 /nfs/dbraw/zinc/08/60/83/202086083.db2.gz SICDDRUNKXRPMU-UHFFFAOYSA-N -1 0 327.858 4.171 50 0 EIAARM COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1O ZINC000033663061 202267599 /nfs/dbraw/zinc/26/75/99/202267599.db2.gz CXWBMISPJUYARI-RAXLEYEMSA-N -1 0 347.370 4.134 50 0 EIAARM Cc1ccc(CN(CCC(C)C)Cc2nc(C(=O)[O-])cs2)s1 ZINC000034670123 202275640 /nfs/dbraw/zinc/27/56/40/202275640.db2.gz VIFCMMFBRVSTCG-UHFFFAOYSA-N -1 0 338.498 4.260 50 0 EIAARM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(F)cc2)C1 ZINC000004949057 201057022 /nfs/dbraw/zinc/05/70/22/201057022.db2.gz IHHSOSAMRDXRNS-GXDHUFHOSA-N -1 0 348.377 4.058 50 0 EIAARM CCOc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)ccc1O ZINC000096298658 201375779 /nfs/dbraw/zinc/37/57/79/201375779.db2.gz BCHPEZOKXDFGRK-CLFYSBASSA-N -1 0 335.359 4.208 50 0 EIAARM CCOc1c(Cl)cc(/C=C\c2ncc(C(=O)[O-])s2)cc1OC ZINC000096402167 201376374 /nfs/dbraw/zinc/37/63/74/201376374.db2.gz BZCKDFNXXAOPNE-PLNGDYQASA-N -1 0 339.800 4.072 50 0 EIAARM Cc1cc2n(n1)[C@H](c1ccc(C(=O)[O-])cc1)Nc1c(C)cc(C)cc1-2 ZINC000000818048 201493490 /nfs/dbraw/zinc/49/34/90/201493490.db2.gz WYTZFJRKYWCPAY-LJQANCHMSA-N -1 0 333.391 4.146 50 0 EIAARM O=C([O-])c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1 ZINC000001404970 201506557 /nfs/dbraw/zinc/50/65/57/201506557.db2.gz UBODBGNVTZRUBH-UHFFFAOYSA-N -1 0 326.739 4.288 50 0 EIAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccc4c(c3)OCO4)nc12 ZINC000002526084 201535568 /nfs/dbraw/zinc/53/55/68/201535568.db2.gz WMTJCZAPYPGFLS-UHFFFAOYSA-N -1 0 341.750 4.291 50 0 EIAARM COc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[O-])cc1 ZINC000004675126 201610998 /nfs/dbraw/zinc/61/09/98/201610998.db2.gz OOWWTLJQIIZWGE-UHFFFAOYSA-N -1 0 325.389 4.113 50 0 EIAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1cccc2ccccc21 ZINC000006556438 201686271 /nfs/dbraw/zinc/68/62/71/201686271.db2.gz DBJMKDZAUPTBRR-UHFFFAOYSA-N -1 0 329.403 4.030 50 0 EIAARM Cc1cc(OCCn2cc(C(=O)[O-])c3ccccc32)ccc1Cl ZINC000006721555 201692356 /nfs/dbraw/zinc/69/23/56/201692356.db2.gz CKDIJAYNFRNPFB-UHFFFAOYSA-N -1 0 329.783 4.380 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063897956 202811390 /nfs/dbraw/zinc/81/13/90/202811390.db2.gz MROVXIQLVACFDC-UHFFFAOYSA-N -1 0 332.425 4.003 50 0 EIAARM O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](C(F)(F)F)CC(=O)N2 ZINC000071279235 203088987 /nfs/dbraw/zinc/08/89/87/203088987.db2.gz AUELAXXBQIEMIG-SNVBAGLBSA-N -1 0 331.338 4.099 50 0 EIAARM CCC(CC)(CC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC000078938412 203433925 /nfs/dbraw/zinc/43/39/25/203433925.db2.gz BPCNPIUFTZAURC-UHFFFAOYSA-N -1 0 342.395 4.094 50 0 EIAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccc(F)cc2)cc3=O)cc1 ZINC000102735848 204048007 /nfs/dbraw/zinc/04/80/07/204048007.db2.gz FUVMRPPQQZZHEX-UHFFFAOYSA-N -1 0 349.365 4.225 50 0 EIAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000145436 205411970 /nfs/dbraw/zinc/41/19/70/205411970.db2.gz WSOYKBQZHWXNAY-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000000475455 206240948 /nfs/dbraw/zinc/24/09/48/206240948.db2.gz CXLRPSXILQIZLS-UHFFFAOYSA-N -1 0 343.379 4.419 50 0 EIAARM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000013389067 563697356 /nfs/dbraw/zinc/69/73/56/563697356.db2.gz PULNQTATFAHHRP-JTQLQIEISA-N -1 0 344.219 4.001 50 0 EIAARM COc1ccc2ncc(C(=O)[O-])c(Nc3ccccc3Cl)c2c1 ZINC000000151354 563246405 /nfs/dbraw/zinc/24/64/05/563246405.db2.gz VOSKDPXGQCYDQM-UHFFFAOYSA-N -1 0 328.755 4.339 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)o1 ZINC000000205001 563259376 /nfs/dbraw/zinc/25/93/76/563259376.db2.gz PJDQCOBHWQSBSN-UHFFFAOYSA-N -1 0 332.153 4.264 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000362560 563294467 /nfs/dbraw/zinc/29/44/67/563294467.db2.gz PCTBWULJAUFWQW-UHFFFAOYSA-N -1 0 333.453 4.184 50 0 EIAARM Cc1ccccc1OCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000367837 563296767 /nfs/dbraw/zinc/29/67/67/563296767.db2.gz HGODHHZNMCLFEW-UHFFFAOYSA-N -1 0 326.179 4.025 50 0 EIAARM CCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000000376525 563299065 /nfs/dbraw/zinc/29/90/65/563299065.db2.gz XMTDEWSXQZZQSZ-UHFFFAOYSA-N -1 0 330.236 4.357 50 0 EIAARM O=C([O-])c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000001566108 563392514 /nfs/dbraw/zinc/39/25/14/563392514.db2.gz NOPORWFTNKIIGY-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000002942795 563464374 /nfs/dbraw/zinc/46/43/74/563464374.db2.gz LYWUAZCAWKLZHC-KGLIPLIRSA-N -1 0 341.329 4.091 50 0 EIAARM COc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000003220771 563477321 /nfs/dbraw/zinc/47/73/21/563477321.db2.gz NVHDYMQROKRTPK-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM CCc1cc2c(cc1[O-])oc(C)c(Oc1ccc(OC)cc1)c2=O ZINC000006273931 563563662 /nfs/dbraw/zinc/56/36/62/563563662.db2.gz WMERLBWVWAWUGO-UHFFFAOYSA-N -1 0 326.348 4.170 50 0 EIAARM CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000008132504 563622068 /nfs/dbraw/zinc/62/20/68/563622068.db2.gz HLSVPNGQLPIZHM-UHFFFAOYSA-N -1 0 337.416 4.149 50 0 EIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000008132515 563622089 /nfs/dbraw/zinc/62/20/89/563622089.db2.gz WDNCKXGSAZHTIB-UHFFFAOYSA-N -1 0 339.844 4.075 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCCC[C@H]3C)n2)c1[O-] ZINC000013127692 563689681 /nfs/dbraw/zinc/68/96/81/563689681.db2.gz WNPXRNJEBMRJGV-CQSZACIVSA-N -1 0 349.434 4.390 50 0 EIAARM C[C@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000000139484 563916996 /nfs/dbraw/zinc/91/69/96/563916996.db2.gz SVGBNTOHFITEDI-QMMMGPOBSA-N -1 0 328.151 4.033 50 0 EIAARM O=C([O-])Cc1sc(Nc2ccccc2F)nc1-c1ccc(F)cc1 ZINC000004682234 563963995 /nfs/dbraw/zinc/96/39/95/563963995.db2.gz RSVVBUSNXGGPHL-UHFFFAOYSA-N -1 0 346.358 4.459 50 0 EIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000004694321 563964512 /nfs/dbraw/zinc/96/45/12/563964512.db2.gz HDBHZBALIAQTCR-QGZVFWFLSA-N -1 0 340.423 4.322 50 0 EIAARM Cc1cc(-c2ccccc2)nc([N-]c2nc(C)c3ccccc3n2)n1 ZINC000000075566 563967589 /nfs/dbraw/zinc/96/75/89/563967589.db2.gz WEBYCTCEMBXBOK-UHFFFAOYSA-N -1 0 327.391 4.447 50 0 EIAARM CC1(C)[C@H](C(=O)Nc2ccc3ccccc3c2)CC[C@]1(C)C(=O)[O-] ZINC000000190248 563988116 /nfs/dbraw/zinc/98/81/16/563988116.db2.gz CLINVXMMKYZOKG-OXJNMPFZSA-N -1 0 325.408 4.305 50 0 EIAARM O=C([O-])c1[nH]c2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004879340 563992228 /nfs/dbraw/zinc/99/22/28/563992228.db2.gz KHMPPWYAZKEKEV-UHFFFAOYSA-N -1 0 348.280 4.137 50 0 EIAARM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 ZINC000000537070 564022230 /nfs/dbraw/zinc/02/22/30/564022230.db2.gz ABRPZKOCEXIQKC-CQSZACIVSA-N -1 0 332.812 4.004 50 0 EIAARM O=C(Nc1ccc(Nc2ccccc2)cc1)c1s[n-]c(=O)c1Cl ZINC000241144848 564051847 /nfs/dbraw/zinc/05/18/47/564051847.db2.gz JTPPWIAFIXCFBD-UHFFFAOYSA-N -1 0 345.811 4.498 50 0 EIAARM Cc1nc2c(-c3ccccc3)csc2c(SCCC(=O)[O-])n1 ZINC000082237997 564056312 /nfs/dbraw/zinc/05/63/12/564056312.db2.gz NMEAPVKIQLGECH-UHFFFAOYSA-N -1 0 330.434 4.234 50 0 EIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000012526086 564058151 /nfs/dbraw/zinc/05/81/51/564058151.db2.gz UBCSKOBKLUWYMT-UHFFFAOYSA-N -1 0 340.448 4.467 50 0 EIAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1cccs1 ZINC000003271644 564058860 /nfs/dbraw/zinc/05/88/60/564058860.db2.gz WZZQPZMRIPADJN-UHFFFAOYSA-N -1 0 329.446 4.140 50 0 EIAARM Cc1cc2occ(CC(=O)NCCCCCC(=O)[O-])c2cc1C(C)C ZINC000012759293 564067303 /nfs/dbraw/zinc/06/73/03/564067303.db2.gz GXZWLYQYOVOHGU-UHFFFAOYSA-N -1 0 345.439 4.168 50 0 EIAARM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000170044204 564105034 /nfs/dbraw/zinc/10/50/34/564105034.db2.gz XZZFVAOCBYNECK-INIZCTEOSA-N -1 0 343.448 4.051 50 0 EIAARM COc1ccc(-c2csc(=Nc3cc(C(=O)[O-])ccc3C)o2)cc1 ZINC000252669693 564124795 /nfs/dbraw/zinc/12/47/95/564124795.db2.gz IKCVINPGXYBDAP-UHFFFAOYSA-N -1 0 341.388 4.256 50 0 EIAARM Cc1nc(SCc2ccc(Cl)c(Cl)c2)ncc1C(=O)[O-] ZINC000002578170 564151050 /nfs/dbraw/zinc/15/10/50/564151050.db2.gz PIESQQJVJBCHDV-UHFFFAOYSA-N -1 0 329.208 4.082 50 0 EIAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002626863 564151370 /nfs/dbraw/zinc/15/13/70/564151370.db2.gz JWAWSHGENGVJKS-UHFFFAOYSA-N -1 0 333.453 4.102 50 0 EIAARM Fc1ccc(-c2nnc([N-]c3nc4ccc(F)cc4s3)o2)cc1 ZINC000004137791 564160859 /nfs/dbraw/zinc/16/08/59/564160859.db2.gz XLFLLJKXDVPFRF-UHFFFAOYSA-N -1 0 330.319 4.368 50 0 EIAARM Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000008267021 564163850 /nfs/dbraw/zinc/16/38/50/564163850.db2.gz ANVPGXSHMQTYAM-CYBMUJFWSA-N -1 0 329.421 4.121 50 0 EIAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000009002243 564168537 /nfs/dbraw/zinc/16/85/37/564168537.db2.gz BYUGPCOSYZHBAH-UHFFFAOYSA-N -1 0 333.453 4.236 50 0 EIAARM CCOc1ccc(C(=O)/C=C\c2ccc(OC)c(OCC)c2)c([O-])c1 ZINC000033713138 564177500 /nfs/dbraw/zinc/17/75/00/564177500.db2.gz UPRJVHNDXBNNOS-POHAHGRESA-N -1 0 342.391 4.094 50 0 EIAARM COc1cc(/C=C\c2ccc3cc(C)ccc3n2)ccc1OCC(=O)[O-] ZINC000096765470 1041606554 /nfs/dbraw/zinc/60/65/54/1041606554.db2.gz OVXOBDFGANISGF-DAXSKMNVSA-N -1 0 349.386 4.186 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000005800114 1054097774 /nfs/dbraw/zinc/09/77/74/1054097774.db2.gz QNLYWGYEWJQRBR-HOTGVXAUSA-N -1 0 336.391 4.036 50 0 EIAARM O=c1nc(-c2ncccn2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000054757200 214253949 /nfs/dbraw/zinc/25/39/49/214253949.db2.gz JYUWAAHZPRDBAV-UHFFFAOYSA-N -1 0 340.795 4.174 50 0 EIAARM CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc21 ZINC000004676091 210245129 /nfs/dbraw/zinc/24/51/29/210245129.db2.gz SJRQMAXWOVWAKF-CYBMUJFWSA-N -1 0 338.407 4.254 50 0 EIAARM CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-] ZINC000004623738 210233579 /nfs/dbraw/zinc/23/35/79/210233579.db2.gz VNYSSYRCGWBHLG-AMOLWHMGSA-N -1 0 336.472 4.158 50 0 endogenous,investigational EIAARM COc1ccc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000100139172 219092467 /nfs/dbraw/zinc/09/24/67/219092467.db2.gz CXHPCXWSNPNLFM-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000100137646 219092766 /nfs/dbraw/zinc/09/27/66/219092766.db2.gz XUUSQXHHNMZMRR-UHFFFAOYSA-N -1 0 346.434 4.477 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000064588789 214795010 /nfs/dbraw/zinc/79/50/10/214795010.db2.gz QOWXJDAJNJNVRT-UHFFFAOYSA-N -1 0 344.386 4.013 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000045923078 213766280 /nfs/dbraw/zinc/76/62/80/213766280.db2.gz WJPUZSWLMNWOFO-IRXDYDNUSA-N -1 0 343.810 4.114 50 0 EIAARM COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000003884666 210083638 /nfs/dbraw/zinc/08/36/38/210083638.db2.gz INZMANTZZFBIJO-LCYFTJDESA-N -1 0 325.389 4.320 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccc(F)cc4)c3n2)cc1 ZINC000102699430 219223327 /nfs/dbraw/zinc/22/33/27/219223327.db2.gz LXJVDFDVJSMUNG-UHFFFAOYSA-N -1 0 349.365 4.225 50 0 EIAARM CCOc1ccc2c(c1)[C@H](SCC(=O)[O-])CC1(CCCCC1)O2 ZINC000002944861 209945214 /nfs/dbraw/zinc/94/52/14/209945214.db2.gz KDGKBABKPKPYHD-MRXNPFEDSA-N -1 0 336.453 4.430 50 0 EIAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(Cl)c1 ZINC000040152644 213274170 /nfs/dbraw/zinc/27/41/70/213274170.db2.gz XGMZRJLJMUBRDZ-UHFFFAOYSA-N -1 0 348.811 4.104 50 0 EIAARM O=C([O-])c1cc(Cl)ccc1OCc1cccc(Br)c1 ZINC000035605619 213041966 /nfs/dbraw/zinc/04/19/66/213041966.db2.gz CJRKCPFFZCXEKR-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000035142177 213009848 /nfs/dbraw/zinc/00/98/48/213009848.db2.gz ZZMZJZDPUQHIJM-SWLSCSKDSA-N -1 0 345.826 4.482 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)SC1CCCCC1 ZINC000000122074 209435071 /nfs/dbraw/zinc/43/50/71/209435071.db2.gz XEMPCCOMITUYOD-OAHLLOKOSA-N -1 0 326.845 4.432 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000072375 209401722 /nfs/dbraw/zinc/40/17/22/209401722.db2.gz JNCSQROSIMRUQO-QZTJIDSGSA-N -1 0 339.391 4.308 50 0 EIAARM O=C([O-])c1ccccc1C(=O)n1c2ccccc2nc1-c1ccccc1 ZINC000000068149 209398621 /nfs/dbraw/zinc/39/86/21/209398621.db2.gz BVINBQHAHYGUMT-UHFFFAOYSA-N -1 0 342.354 4.090 50 0 EIAARM O=C(c1cnn(-c2ccccc2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000000057707 209392876 /nfs/dbraw/zinc/39/28/76/209392876.db2.gz IOXLIMVYDRGNIK-UHFFFAOYSA-N -1 0 333.174 4.116 50 0 EIAARM Cc1ccc(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)cc1 ZINC000019793880 212068949 /nfs/dbraw/zinc/06/89/49/212068949.db2.gz NJISPJJYOFJJGQ-UHFFFAOYSA-N -1 0 326.783 4.369 50 0 EIAARM Cc1cccc2c1ncc(C(=O)[O-])c2Nc1ccc(OC(C)C)cc1 ZINC000019795515 212068927 /nfs/dbraw/zinc/06/89/27/212068927.db2.gz UUVXQHWBLJXYHR-UHFFFAOYSA-N -1 0 336.391 4.194 50 0 EIAARM O=C([O-])Cc1csc(SCc2ccc(Cl)cc2Cl)n1 ZINC000013414376 211555917 /nfs/dbraw/zinc/55/59/17/211555917.db2.gz MQJIUMWUPFODBY-UHFFFAOYSA-N -1 0 334.249 4.369 50 0 EIAARM Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 ZINC000012396219 211368236 /nfs/dbraw/zinc/36/82/36/211368236.db2.gz RBFJGUCMNCOLFJ-UHFFFAOYSA-N -1 0 345.761 4.097 50 0 EIAARM Cc1ccc(-c2csc3ncnc(NCCCC(=O)[O-])c23)cc1C ZINC000011990472 211275493 /nfs/dbraw/zinc/27/54/93/211275493.db2.gz FYJMGYMLNNVLDX-UHFFFAOYSA-N -1 0 341.436 4.252 50 0 EIAARM O=C([O-])[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000011864240 211259420 /nfs/dbraw/zinc/25/94/20/211259420.db2.gz HWJSUJJXYKYGKB-CYBMUJFWSA-N -1 0 341.588 4.307 50 0 EIAARM COc1cccc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)c1OC ZINC000095972656 218477166 /nfs/dbraw/zinc/47/71/66/218477166.db2.gz MTERTUMRQQBUQT-RMKNXTFCSA-N -1 0 335.359 4.121 50 0 EIAARM O=C([O-])c1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000005899801 210555341 /nfs/dbraw/zinc/55/53/41/210555341.db2.gz LHPCPBWJBFHEEL-IBGZPJMESA-N -1 0 344.370 4.156 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000038685 208554925 /nfs/dbraw/zinc/55/49/25/208554925.db2.gz GSVWKNUFLUTEKV-UHFFFAOYSA-N -1 0 332.359 4.381 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000004828038 210290074 /nfs/dbraw/zinc/29/00/74/210290074.db2.gz CGIKGPLGAGWVRV-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM CC[C@@H](Nc1ncnc2sc(C(=O)[O-])c(C)c21)c1cccs1 ZINC000299765490 257950090 /nfs/dbraw/zinc/95/00/90/257950090.db2.gz NQZIUKMNUKRTFX-SECBINFHSA-N -1 0 333.438 4.323 50 0 EIAARM CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)[O-] ZINC000002541544 258049839 /nfs/dbraw/zinc/04/98/39/258049839.db2.gz PEWJDQQVFVOSHC-UHFFFAOYSA-N -1 0 327.380 4.077 50 0 EIAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3ccccc3F)c12 ZINC000032885614 258059098 /nfs/dbraw/zinc/05/90/98/258059098.db2.gz YMGDQRQNOSBIBL-UHFFFAOYSA-N -1 0 349.408 4.028 50 0 EIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000002389145 563431195 /nfs/dbraw/zinc/43/11/95/563431195.db2.gz KGXWCCCBQSYUKL-JTQLQIEISA-N -1 0 334.199 4.034 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000072358 563215783 /nfs/dbraw/zinc/21/57/83/563215783.db2.gz BVXBOSFRFPTSOV-ROUUACIJSA-N -1 0 338.407 4.260 50 0 EIAARM O=C([O-])c1ccccc1C(=O)NCc1csc2ccc(Cl)cc12 ZINC000000147738 563244826 /nfs/dbraw/zinc/24/48/26/563244826.db2.gz QYYVTKVUQCEQEB-UHFFFAOYSA-N -1 0 345.807 4.183 50 0 EIAARM O=C([O-])c1ccc(Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000000151335 563246431 /nfs/dbraw/zinc/24/64/31/563246431.db2.gz QYPRFQYRWZPJSM-UHFFFAOYSA-N -1 0 333.269 4.090 50 0 EIAARM CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000000469939 563330672 /nfs/dbraw/zinc/33/06/72/563330672.db2.gz ADKSPVCEFKPQNP-ZDUSSCGKSA-N -1 0 341.407 4.224 50 0 EIAARM O=C([O-])CCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242950 563427648 /nfs/dbraw/zinc/42/76/48/563427648.db2.gz IHVOWHQTDQOSDM-UHFFFAOYSA-N -1 0 328.208 4.162 50 0 EIAARM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000008215035 563623525 /nfs/dbraw/zinc/62/35/25/563623525.db2.gz ZJTIWRULFBVAOI-LLVKDONJSA-N -1 0 349.839 4.299 50 0 EIAARM COc1ccc(NC(=S)[N-]c2ccccc2SC)c(OC)c1 ZINC000013519178 563700259 /nfs/dbraw/zinc/70/02/59/563700259.db2.gz WBIJZIRNVLZQHN-UHFFFAOYSA-N -1 0 334.466 4.235 50 0 EIAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000032601925 563914093 /nfs/dbraw/zinc/91/40/93/563914093.db2.gz MBWCFEVKQSWCIT-UHFFFAOYSA-N -1 0 339.844 4.156 50 0 EIAARM CCc1cc2c(nc(-c3ccccc3)nc2SCC(=O)[O-])s1 ZINC000041090329 563924137 /nfs/dbraw/zinc/92/41/37/563924137.db2.gz BTHWVGWUMZPEKF-UHFFFAOYSA-N -1 0 330.434 4.097 50 0 EIAARM O=C(CSCc1cscn1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000096503180 563956099 /nfs/dbraw/zinc/95/60/99/563956099.db2.gz UQTIUAZQMSGSIM-UHFFFAOYSA-N -1 0 349.264 4.027 50 0 EIAARM CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)[O-])cc21 ZINC000004670295 563963624 /nfs/dbraw/zinc/96/36/24/563963624.db2.gz OZFZVOLRVUJXFF-DHDCSXOGSA-N -1 0 345.807 4.148 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000000316455 563991032 /nfs/dbraw/zinc/99/10/32/563991032.db2.gz APCNZIHYKUFRNY-CVEARBPZSA-N -1 0 335.359 4.192 50 0 EIAARM O=C(/C=C/c1cccs1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000001465603 564002023 /nfs/dbraw/zinc/00/20/23/564002023.db2.gz GSNKIISOASPDRH-BQYQJAHWSA-N -1 0 333.434 4.039 50 0 EIAARM O=c1c2cc(Cl)ccc2nc(-c2ccc(Cl)c(Cl)c2)n1[O-] ZINC000005427677 564003858 /nfs/dbraw/zinc/00/38/58/564003858.db2.gz RVHODPVNGCJBGH-UHFFFAOYSA-N -1 0 341.581 4.261 50 0 EIAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cccs1 ZINC000005601805 564006271 /nfs/dbraw/zinc/00/62/71/564006271.db2.gz QIXACMZGJWISAL-UHFFFAOYSA-N -1 0 331.418 4.341 50 0 EIAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000005652992 564007089 /nfs/dbraw/zinc/00/70/89/564007089.db2.gz ABKYJYWRCGUCHO-UHFFFAOYSA-N -1 0 325.380 4.063 50 0 EIAARM O=C([O-])CCCC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000000476410 564011624 /nfs/dbraw/zinc/01/16/24/564011624.db2.gz NKHKSUHYIBBXHZ-UHFFFAOYSA-N -1 0 340.404 4.157 50 0 EIAARM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000000180214 564012175 /nfs/dbraw/zinc/01/21/75/564012175.db2.gz WNZWNAZUNNYFNS-UHFFFAOYSA-N -1 0 345.445 4.128 50 0 EIAARM O=C([O-])[C@H](Cc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 ZINC000000537069 564022210 /nfs/dbraw/zinc/02/22/10/564022210.db2.gz ABRPZKOCEXIQKC-AWEZNQCLSA-N -1 0 332.812 4.004 50 0 EIAARM Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1C ZINC000000550316 564022883 /nfs/dbraw/zinc/02/28/83/564022883.db2.gz DQVAAYDQDWPFNI-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])c1ccc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000000582616 564025063 /nfs/dbraw/zinc/02/50/63/564025063.db2.gz PWXMWCUQMSFADW-UHFFFAOYSA-N -1 0 346.795 4.381 50 0 EIAARM CC(C)c1nc2cc(NC(=O)CC3(C(=O)[O-])CCCCC3)ccc2o1 ZINC000027057975 564041243 /nfs/dbraw/zinc/04/12/43/564041243.db2.gz WICIAOBQGLWEMT-UHFFFAOYSA-N -1 0 344.411 4.315 50 0 EIAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000225696004 564049472 /nfs/dbraw/zinc/04/94/72/564049472.db2.gz XZAOBSOSERQNKI-UHFFFAOYSA-N -1 0 346.374 4.266 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012538944 564058457 /nfs/dbraw/zinc/05/84/57/564058457.db2.gz MRRLFRUHBSEITB-UWVGGRQHSA-N -1 0 328.359 4.353 50 0 EIAARM Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])o1 ZINC000012601076 564060402 /nfs/dbraw/zinc/06/04/02/564060402.db2.gz WRXWMXRPQNIRCY-UHFFFAOYSA-N -1 0 327.361 4.267 50 0 EIAARM Cc1ccc(Oc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)nc1 ZINC000084191685 564067374 /nfs/dbraw/zinc/06/73/74/564067374.db2.gz KLYLXKYGIPDLHR-UHFFFAOYSA-N -1 0 342.395 4.012 50 0 EIAARM O=C([O-])CCCCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001745089 564086987 /nfs/dbraw/zinc/08/69/87/564086987.db2.gz GLBNRUWVLJZISA-UHFFFAOYSA-N -1 0 335.407 4.354 50 0 EIAARM CC(C)n1nccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000530475171 564135120 /nfs/dbraw/zinc/13/51/20/564135120.db2.gz HIJJWSVFEDKIGQ-FMIVXFBMSA-N -1 0 327.409 4.089 50 0 EIAARM O=C([O-])/C=C/c1cnc(/C=C\C2=Cc3cc(Cl)ccc3OC2)s1 ZINC000096035420 564145117 /nfs/dbraw/zinc/14/51/17/564145117.db2.gz LCUSHPYATCOFJI-PASXFABESA-N -1 0 345.807 4.384 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000096256110 564146174 /nfs/dbraw/zinc/14/61/74/564146174.db2.gz VKBDKCLJSLBMPP-IWQAVIMZSA-N -1 0 347.418 4.396 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1/CCCc2c1nc1ccccc1c2C(=O)[O-] ZINC000096291477 564146450 /nfs/dbraw/zinc/14/64/50/564146450.db2.gz QIVQZCBZOYAYPL-RAXLEYEMSA-N -1 0 333.391 4.150 50 0 EIAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1csc(-c2ccsc2)n1 ZINC000299742799 564150565 /nfs/dbraw/zinc/15/05/65/564150565.db2.gz KLZJDTDTUOAAAF-UGFHNGPFSA-N -1 0 348.493 4.089 50 0 EIAARM Cc1nc2sc(-c3ccccc3)cc2c(SCCC(=O)[O-])n1 ZINC000003225639 564156225 /nfs/dbraw/zinc/15/62/25/564156225.db2.gz NATVLPXCJVINFV-UHFFFAOYSA-N -1 0 330.434 4.234 50 0 EIAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000008195505 564163526 /nfs/dbraw/zinc/16/35/26/564163526.db2.gz ZOBXMKOTWLIJOY-UHFFFAOYSA-N -1 0 349.761 4.468 50 0 EIAARM CCc1nc2cc(NC(=O)CC3(C(=O)[O-])CCCCCC3)ccc2o1 ZINC000071808757 564175578 /nfs/dbraw/zinc/17/55/78/564175578.db2.gz IXJUBFVIAGUECX-UHFFFAOYSA-N -1 0 344.411 4.144 50 0 EIAARM O=C([O-])CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000000390111 568414589 /nfs/dbraw/zinc/41/45/89/568414589.db2.gz QLINTXGYEJMNBU-UHFFFAOYSA-N -1 0 348.474 4.160 50 0 EIAARM CC(C)c1nc(/C=C\c2ncc(C(C)(C)C)s2)ncc1C(=O)[O-] ZINC000448124083 1052656866 /nfs/dbraw/zinc/65/68/66/1052656866.db2.gz WDVCCVATNFOQBA-SREVYHEPSA-N -1 0 331.441 4.223 50 0 EIAARM O=c1c(Cc2ccccc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000196477714 1054234738 /nfs/dbraw/zinc/23/47/38/1054234738.db2.gz PJUKCVCMCFNHDI-HXUWFJFHSA-N -1 0 326.399 4.296 50 0 EIAARM O=C([O-])C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000004743418 210267187 /nfs/dbraw/zinc/26/71/87/210267187.db2.gz GCKPWUAZSXJRCC-NSHDSACASA-N -1 0 344.219 4.001 50 0 EIAARM CCC(CC)(CC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000055150059 214279495 /nfs/dbraw/zinc/27/94/95/214279495.db2.gz GARBMXAQWZAYCU-CYBMUJFWSA-N -1 0 331.412 4.200 50 0 EIAARM O=C([O-])C[C@@H](NC(=O)CCC1CCCCC1)c1cccc(Cl)c1 ZINC000004686706 210248106 /nfs/dbraw/zinc/24/81/06/210248106.db2.gz YMVNPSUJBNXZRA-MRXNPFEDSA-N -1 0 337.847 4.333 50 0 EIAARM O=C([O-])C[C@H](NC(=O)CCC1CCCCC1)c1cccc(Cl)c1 ZINC000004686707 210247210 /nfs/dbraw/zinc/24/72/10/210247210.db2.gz YMVNPSUJBNXZRA-INIZCTEOSA-N -1 0 337.847 4.333 50 0 EIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2)C1 ZINC000097993209 219066560 /nfs/dbraw/zinc/06/65/60/219066560.db2.gz OPWPMIRAYATWNQ-VBKFSLOCSA-N -1 0 344.414 4.309 50 0 EIAARM COc1ccc(C)cc1-c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000064671701 214800288 /nfs/dbraw/zinc/80/02/88/214800288.db2.gz MAXHRXJAWRKCDR-UHFFFAOYSA-N -1 0 325.389 4.492 50 0 EIAARM C[C@@H]1CCc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2C1 ZINC000004137813 210129247 /nfs/dbraw/zinc/12/92/47/210129247.db2.gz KWEXMWNVGDQOCC-MRVPVSSYSA-N -1 0 345.449 4.350 50 0 EIAARM CCCCCCC1CCC(C(=O)N[C@H](CCSC)C(=O)[O-])CC1 ZINC000003895911 210086921 /nfs/dbraw/zinc/08/69/21/210086921.db2.gz QOZVOVPGZXAVNS-UYSNPLJNSA-N -1 0 343.533 4.086 50 0 EIAARM CCCCCCC1CCC(C(=O)N[C@@H](CCSC)C(=O)[O-])CC1 ZINC000003895910 210086270 /nfs/dbraw/zinc/08/62/70/210086270.db2.gz QOZVOVPGZXAVNS-GPANFISMSA-N -1 0 343.533 4.086 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003368280 210020355 /nfs/dbraw/zinc/02/03/55/210020355.db2.gz IOSYUTIIZYQAOM-UHFFFAOYSA-N -1 0 329.343 4.069 50 0 EIAARM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1ccccc1F ZINC000003371238 210019310 /nfs/dbraw/zinc/01/93/10/210019310.db2.gz BZJJXQXISTYKPT-UHFFFAOYSA-N -1 0 341.407 4.217 50 0 EIAARM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1ccccc1F ZINC000003329012 210009279 /nfs/dbraw/zinc/00/92/79/210009279.db2.gz RSEYFFIHJGNJAF-UHFFFAOYSA-N -1 0 343.379 4.419 50 0 EIAARM O=C([O-])c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)S2 ZINC000003029143 209956134 /nfs/dbraw/zinc/95/61/34/209956134.db2.gz SZUYEXQJCCDZNU-AUWJEWJLSA-N -1 0 331.780 4.124 50 0 EIAARM O=C([O-])c1ccc(Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000000947598 209695772 /nfs/dbraw/zinc/69/57/72/209695772.db2.gz QFDOVTPRIVENGQ-UHFFFAOYSA-N -1 0 342.358 4.134 50 0 EIAARM CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000000363597 209552618 /nfs/dbraw/zinc/55/26/18/209552618.db2.gz LFYWPGMHLLTRNW-CQSZACIVSA-N -1 0 326.392 4.292 50 0 EIAARM O=C([O-])c1c2c(sc1NC(=O)c1cccc3ccccc31)CCC2 ZINC000000313859 209532214 /nfs/dbraw/zinc/53/22/14/209532214.db2.gz YELQSDOGDAXFQK-UHFFFAOYSA-N -1 0 337.400 4.341 50 0 aggregator EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000000153457 209455872 /nfs/dbraw/zinc/45/58/72/209455872.db2.gz BDWDJDAQUSMMIO-ZIAGYGMSSA-N -1 0 337.158 4.073 50 0 EIAARM Cc1nc(NC(=O)c2ccc([O-])c(Cl)c2)sc1-c1ccccn1 ZINC000023498229 212380553 /nfs/dbraw/zinc/38/05/53/212380553.db2.gz XAWCBUAKPAKZAX-UHFFFAOYSA-N -1 0 345.811 4.125 50 0 EIAARM C[Si](C)(C)c1c(Cl)c(Cl)c(C(=O)[O-])cc1C(F)(F)F ZINC000195983962 241035840 /nfs/dbraw/zinc/03/58/40/241035840.db2.gz GTVGPHVELNLVJL-UHFFFAOYSA-N -1 0 331.193 4.256 50 0 EIAARM O=C([O-])C/C(=C/c1ccc(OC(F)F)cc1)c1nc2ccccc2o1 ZINC000021743288 212246909 /nfs/dbraw/zinc/24/69/09/212246909.db2.gz ICRKLNWOZCCQDT-XFXZXTDPSA-N -1 0 345.301 4.445 50 0 EIAARM O=c1c(-c2nc(-c3ccccc3Cl)no2)c[n-]c2ccc(F)cc21 ZINC000020739335 212168074 /nfs/dbraw/zinc/16/80/74/212168074.db2.gz HVAMBSYASLRYPN-UHFFFAOYSA-N -1 0 341.729 4.038 50 0 EIAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(CC(=O)[O-])=CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000253617523 244039583 /nfs/dbraw/zinc/03/95/83/244039583.db2.gz SVLVKYHISIXPST-CLIDLRMUSA-N -1 0 332.484 4.401 50 0 EIAARM Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000016777196 211934031 /nfs/dbraw/zinc/93/40/31/211934031.db2.gz ZFNFPSBRNQEECN-UHFFFAOYSA-N -1 0 343.839 4.498 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000012138001 211300998 /nfs/dbraw/zinc/30/09/98/211300998.db2.gz CHNOINTUYDGUFT-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM O=C([O-])c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000011689908 211233773 /nfs/dbraw/zinc/23/37/73/211233773.db2.gz JXYPQIVNXMJBLY-UHFFFAOYSA-N -1 0 335.359 4.216 50 0 EIAARM Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000008267013 210922622 /nfs/dbraw/zinc/92/26/22/210922622.db2.gz ANVPGXSHMQTYAM-ZDUSSCGKSA-N -1 0 329.421 4.121 50 0 EIAARM Cc1sc(NC(=O)CCC(=O)[O-])nc1-c1ccc(C(C)(C)C)cc1 ZINC000006698398 210682036 /nfs/dbraw/zinc/68/20/36/210682036.db2.gz FNOYGYAVCPKPBH-UHFFFAOYSA-N -1 0 346.452 4.219 50 0 EIAARM O=C([O-])c1ccc(/C=C(/Cl)c2nnc(-c3ccccc3)o2)cc1 ZINC000096792363 218890843 /nfs/dbraw/zinc/89/08/43/218890843.db2.gz HNOHCESEVXVBPK-GXDHUFHOSA-N -1 0 326.739 4.172 50 0 EIAARM CC(=O)Nc1ccc(/C=C\c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1 ZINC000096891408 218895986 /nfs/dbraw/zinc/89/59/86/218895986.db2.gz ARWARPRSFMWKQE-TWGQIWQCSA-N -1 0 346.386 4.370 50 0 EIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)Cc1cccc2ccccc21 ZINC000004828929 210290482 /nfs/dbraw/zinc/29/04/82/210290482.db2.gz RUCCAGJXGOZENH-UHFFFAOYSA-N -1 0 339.778 4.373 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000004776730 210275521 /nfs/dbraw/zinc/27/55/21/210275521.db2.gz VSCVMMZCYHQJQD-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM O=C([O-])c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000299766916 258081302 /nfs/dbraw/zinc/08/13/02/258081302.db2.gz CTHJUFRFZRHYOT-UHFFFAOYSA-N -1 0 349.390 4.102 50 0 EIAARM Cc1cc(Nc2ccccc2C(=O)[O-])nc(Nc2cccc(F)c2)n1 ZINC000170621829 226662580 /nfs/dbraw/zinc/66/25/80/226662580.db2.gz BPBFNFRBPFOTRD-UHFFFAOYSA-N -1 0 338.342 4.110 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000153458 563247113 /nfs/dbraw/zinc/24/71/13/563247113.db2.gz BDWDJDAQUSMMIO-KGLIPLIRSA-N -1 0 337.158 4.073 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000000207900 563260031 /nfs/dbraw/zinc/26/00/31/563260031.db2.gz LFBDRDBSOCWZDH-HZPDHXFCSA-N -1 0 338.407 4.260 50 0 EIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000000314670 563282409 /nfs/dbraw/zinc/28/24/09/563282409.db2.gz RPBVHEVTQXVWDL-ZHACJKMWSA-N -1 0 330.343 4.383 50 0 EIAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000000367687 563296777 /nfs/dbraw/zinc/29/67/77/563296777.db2.gz VTNVBDZQFCXGDC-AWEZNQCLSA-N -1 0 341.407 4.224 50 0 EIAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000000468409 563329601 /nfs/dbraw/zinc/32/96/01/563329601.db2.gz OXQPIZCVNMABDR-CYBMUJFWSA-N -1 0 341.407 4.224 50 0 EIAARM COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000005570281 563540350 /nfs/dbraw/zinc/54/03/50/563540350.db2.gz ZCFXJXOEDBZELJ-UHFFFAOYSA-N -1 0 340.404 4.189 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000002801651 563615487 /nfs/dbraw/zinc/61/54/87/563615487.db2.gz CAXMIUKDTMCXDN-RYUDHWBXSA-N -1 0 342.222 4.379 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)cc1 ZINC000005730720 563863724 /nfs/dbraw/zinc/86/37/24/563863724.db2.gz HOKSPFOXNBXXOC-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM CCn1c(C(=O)[O-])cc2c(-c3cccs3)nn(-c3ccccc3)c21 ZINC000031773262 563912978 /nfs/dbraw/zinc/91/29/78/563912978.db2.gz SDGNWNSOJLSAKJ-UHFFFAOYSA-N -1 0 337.404 4.274 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000000035495 563968028 /nfs/dbraw/zinc/96/80/28/563968028.db2.gz SFQODLJFJVFFPZ-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@H](CC2CCCCC2)[C@@H]1C(=O)[O-] ZINC000221031383 563989626 /nfs/dbraw/zinc/98/96/26/563989626.db2.gz VRVLZGWUBIRQEC-HUUCEWRRSA-N -1 0 325.449 4.057 50 0 EIAARM O=c1c2cc(F)ccc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000000425299 563998949 /nfs/dbraw/zinc/99/89/49/563998949.db2.gz XJOYSGHFWIIJLH-UHFFFAOYSA-N -1 0 334.803 4.094 50 0 EIAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000000479895 564013418 /nfs/dbraw/zinc/01/34/18/564013418.db2.gz BLDYEJVKHIADTA-QPJJXVBHSA-N -1 0 336.746 4.165 50 0 EIAARM CC1(C)Cc2nc3sc4c([n-]c(=S)[nH]c4=S)c3cc2CO1 ZINC000000496240 564017995 /nfs/dbraw/zinc/01/79/95/564017995.db2.gz PTAGHEUGSJJYSE-UHFFFAOYSA-N -1 0 335.479 4.042 50 0 EIAARM CCCN(CCC)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053378 564029383 /nfs/dbraw/zinc/02/93/83/564029383.db2.gz RQOZMKIENUHFCA-UHFFFAOYSA-N -1 0 340.423 4.264 50 0 EIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cccnc1Cl ZINC000025143933 564036831 /nfs/dbraw/zinc/03/68/31/564036831.db2.gz RIIJETZKSHULJC-UHFFFAOYSA-N -1 0 344.823 4.203 50 0 EIAARM COc1ccc2cc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000096401286 564050004 /nfs/dbraw/zinc/05/00/04/564050004.db2.gz JJYAPOYQEBPKEO-WCIBSUBMSA-N -1 0 332.355 4.443 50 0 EIAARM CCOc1ccccc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002082077 564058256 /nfs/dbraw/zinc/05/82/56/564058256.db2.gz RIWBDTMYMPHOAL-UHFFFAOYSA-N -1 0 331.240 4.033 50 0 EIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000074055422 564069296 /nfs/dbraw/zinc/06/92/96/564069296.db2.gz AEPPXVFSKPTYSI-AWEZNQCLSA-N -1 0 346.452 4.054 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000001498905 564074260 /nfs/dbraw/zinc/07/42/60/564074260.db2.gz XHBSJZIFETXMSE-UHFFFAOYSA-N -1 0 330.211 4.357 50 0 EIAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C(C)(C)C ZINC000001513839 564075220 /nfs/dbraw/zinc/07/52/20/564075220.db2.gz LZELLFAMHCISHO-UHFFFAOYSA-N -1 0 344.889 4.203 50 0 EIAARM CN1c2ccccc2C(C)(C)/C1=C\C=Nc1ccc(O)c(C(=O)[O-])c1 ZINC000252634827 564090746 /nfs/dbraw/zinc/09/07/46/564090746.db2.gz WRNCAOCDTFHBTL-WGIWACCVSA-N -1 0 336.391 4.104 50 0 EIAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2)on1 ZINC000064845638 564096870 /nfs/dbraw/zinc/09/68/70/564096870.db2.gz ZLEOFMAKCLJUOY-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)cc2Cl)CCCC1 ZINC000006880624 564100506 /nfs/dbraw/zinc/10/05/06/564100506.db2.gz SOUFJQUKVHBMGP-UHFFFAOYSA-N -1 0 344.238 4.035 50 0 EIAARM O=C([O-])c1cc(-c2ccc(O)cc2)nc2cc(Br)ccc21 ZINC000006883570 564100643 /nfs/dbraw/zinc/10/06/43/564100643.db2.gz ZYMOEIXJYSDDCW-UHFFFAOYSA-N -1 0 344.164 4.068 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)on1 ZINC000006887778 564100715 /nfs/dbraw/zinc/10/07/15/564100715.db2.gz SITQSDWTDKCMMQ-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CSc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007053474 564103929 /nfs/dbraw/zinc/10/39/29/564103929.db2.gz DWCKMURDQKLIAT-UHFFFAOYSA-N -1 0 347.383 4.228 50 0 EIAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000002637624 564151595 /nfs/dbraw/zinc/15/15/95/564151595.db2.gz NDXSDLPCCDTBGX-UHFFFAOYSA-N -1 0 329.874 4.500 50 0 EIAARM O=C([O-])c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000003030002 564154511 /nfs/dbraw/zinc/15/45/11/564154511.db2.gz RFJPDAVCHZZZRJ-VGOFMYFVSA-N -1 0 331.780 4.124 50 0 EIAARM CCN(CC)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000058065107 564157389 /nfs/dbraw/zinc/15/73/89/564157389.db2.gz CJDGAATXEZWSAM-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM C[C@@H](Oc1ccccc1NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000263427592 564161634 /nfs/dbraw/zinc/16/16/34/564161634.db2.gz RBKQHIGNIIKWLE-VOMCLLRMSA-N -1 0 331.334 4.072 50 0 EIAARM CCC(CC)(CC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000066966088 564164815 /nfs/dbraw/zinc/16/48/15/564164815.db2.gz ZLEKGTXFVDRSNH-UHFFFAOYSA-N -1 0 331.384 4.221 50 0 EIAARM Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000041095267 564173091 /nfs/dbraw/zinc/17/30/91/564173091.db2.gz FAGAWXMXNXBFOW-NOZJJQNGSA-N -1 0 336.284 4.159 50 0 EIAARM Cc1ccc(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000071405926 564175018 /nfs/dbraw/zinc/17/50/18/564175018.db2.gz LKTFEYUWPXOQQU-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2cc[nH]n2)c1[O-] ZINC000823508231 1044281629 /nfs/dbraw/zinc/28/16/29/1044281629.db2.gz UODZAXKZVSTZMJ-UHFFFAOYSA-N -1 0 332.359 4.118 50 0 EIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c(C)s1 ZINC000032532551 1044569501 /nfs/dbraw/zinc/56/95/01/1044569501.db2.gz YNYGUQIPMIRBGR-UHFFFAOYSA-N -1 0 349.449 4.480 50 0 EIAARM O=C([O-])c1cnc(/C=C/c2ccc(OCc3cscn3)cc2)s1 ZINC000058363183 214563091 /nfs/dbraw/zinc/56/30/91/214563091.db2.gz XECBMQFFPLPTQY-ZZXKWVIFSA-N -1 0 344.417 4.047 50 0 EIAARM CCc1c(C)nc2ccc(Br)cc2c1SCC(=O)[O-] ZINC000004600347 210230352 /nfs/dbraw/zinc/23/03/52/210230352.db2.gz JKQXVWLOZXGEDM-UHFFFAOYSA-N -1 0 340.242 4.045 50 0 EIAARM CC(=O)C[C@@H](c1ccc(Cl)cc1)c1c([O-])c2ccccc2oc1=O ZINC000100030917 219089004 /nfs/dbraw/zinc/08/90/04/219089004.db2.gz DEKWZWCFHUABHE-HNNXBMFYSA-N -1 0 342.778 4.263 50 0 in-vitro EIAARM Cc1[n-]n2c(nc(-c3ccc(Cl)cc3)cc2=O)c1-c1ccccc1 ZINC000100133262 219092715 /nfs/dbraw/zinc/09/27/15/219092715.db2.gz SJOCEMOUNGUKKP-UHFFFAOYSA-N -1 0 335.794 4.318 50 0 EIAARM Cc1cc(=O)oc2cc3c(cc12)[C@H](C)CC(C)(C)N3CCCC(=O)[O-] ZINC000100655483 219103454 /nfs/dbraw/zinc/10/34/54/219103454.db2.gz CORGJZNTIXXSQK-CYBMUJFWSA-N -1 0 343.423 4.058 50 0 EIAARM O=C([O-])c1sccc1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000004105325 210120553 /nfs/dbraw/zinc/12/05/53/210120553.db2.gz ZGJBKTLOTKCFTO-UHFFFAOYSA-N -1 0 339.372 4.491 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000003328366 210008538 /nfs/dbraw/zinc/00/85/38/210008538.db2.gz DKULMGAWXSGUGS-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM CCCc1nc(CNc2cc(C)nc(-c3ccccc3[O-])n2)cs1 ZINC000102853266 219235833 /nfs/dbraw/zinc/23/58/33/219235833.db2.gz FGIYMCIUYVICNH-UHFFFAOYSA-N -1 0 340.452 4.179 50 0 EIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccccc1F ZINC000003311420 210003387 /nfs/dbraw/zinc/00/33/87/210003387.db2.gz OWRYHGQCOQMMNJ-UHFFFAOYSA-N -1 0 327.380 4.294 50 0 EIAARM CCCCc1ccc(-c2nc(NC(=O)CCC(=O)[O-])sc2C)cc1 ZINC000002760546 209903503 /nfs/dbraw/zinc/90/35/03/209903503.db2.gz CJSGKYCOLHOBKG-UHFFFAOYSA-N -1 0 346.452 4.264 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000040312595 213290944 /nfs/dbraw/zinc/29/09/44/213290944.db2.gz AYATVPRLCRTHPB-HNNXBMFYSA-N -1 0 348.358 4.005 50 0 biogenic EIAARM O=C([O-])c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000037519052 213152859 /nfs/dbraw/zinc/15/28/59/213152859.db2.gz ANPYTZAQTYHWEI-UHFFFAOYSA-N -1 0 335.075 4.426 50 0 EIAARM COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360466 213023066 /nfs/dbraw/zinc/02/30/66/213023066.db2.gz OCCRAOGGTJCSKO-AYOQOUSVSA-N -1 0 339.391 4.028 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@H](C)c1ccccc1 ZINC000035142180 213009883 /nfs/dbraw/zinc/00/98/83/213009883.db2.gz ZZMZJZDPUQHIJM-DOMZBBRYSA-N -1 0 345.826 4.482 50 0 EIAARM Cc1ccc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000000367835 209554401 /nfs/dbraw/zinc/55/44/01/209554401.db2.gz APUBPROOIAQINV-UHFFFAOYSA-N -1 0 326.179 4.025 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000000207905 209484124 /nfs/dbraw/zinc/48/41/24/209484124.db2.gz LFBDRDBSOCWZDH-HOTGVXAUSA-N -1 0 338.407 4.260 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2cc(F)ccc2Cl)CCCCC1 ZINC000000129670 209439512 /nfs/dbraw/zinc/43/95/12/209439512.db2.gz SBYNFXVVCCYFAX-UHFFFAOYSA-N -1 0 327.783 4.233 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000072363 209401847 /nfs/dbraw/zinc/40/18/47/209401847.db2.gz BVXBOSFRFPTSOV-MSOLQXFVSA-N -1 0 338.407 4.260 50 0 EIAARM Cc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1Cl ZINC000000069509 209399902 /nfs/dbraw/zinc/39/99/02/209399902.db2.gz HGAMMGVTTJXLNF-CQSZACIVSA-N -1 0 331.799 4.236 50 0 EIAARM CCOc1ccc(C(=O)C[C@@H](SC2CCCCC2)C(=O)[O-])cc1 ZINC000000044551 209386474 /nfs/dbraw/zinc/38/64/74/209386474.db2.gz INHUZLKXQZRMLW-QGZVFWFLSA-N -1 0 336.453 4.177 50 0 EIAARM O=C([O-])CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000025761636 212496239 /nfs/dbraw/zinc/49/62/39/212496239.db2.gz GMSVFODLMTZECM-UHFFFAOYSA-N -1 0 326.783 4.210 50 0 EIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000021657769 212237677 /nfs/dbraw/zinc/23/76/77/212237677.db2.gz MNORLUNZHQKDRY-UHFFFAOYSA-N -1 0 326.783 4.369 50 0 EIAARM Cc1cc(-c2cccc(-c3cc[nH]n3)c2)nc(-c2ccccc2[O-])n1 ZINC000020775959 212170020 /nfs/dbraw/zinc/17/00/20/212170020.db2.gz IGUKIEHNPVFFAD-UHFFFAOYSA-N -1 0 328.375 4.215 50 0 EIAARM Clc1ccc2nc([N-]c3ncccn3)nc(-c3ccccc3)c2c1 ZINC000020102291 212100478 /nfs/dbraw/zinc/10/04/78/212100478.db2.gz FRKFMSAUNMZDNH-UHFFFAOYSA-N -1 0 333.782 4.484 50 0 EIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000078276236 217036498 /nfs/dbraw/zinc/03/64/98/217036498.db2.gz AMRKARNYIPBAJB-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM COc1ccc(OC)c(-c2noc([N-]c3cccc(Cl)c3)n2)c1 ZINC000015680418 211843217 /nfs/dbraw/zinc/84/32/17/211843217.db2.gz WJQZJDIPHQCXNQ-UHFFFAOYSA-N -1 0 331.759 4.151 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013253630 211537993 /nfs/dbraw/zinc/53/79/93/211537993.db2.gz IOKMYVLRPTUSGT-JGVFFNPUSA-N -1 0 348.613 4.252 50 0 EIAARM Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395966 211367709 /nfs/dbraw/zinc/36/77/09/211367709.db2.gz NKMPEDPNAQDAKJ-UHFFFAOYSA-N -1 0 347.349 4.233 50 0 EIAARM Cc1nn(-c2ccccc2F)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395940 211367721 /nfs/dbraw/zinc/36/77/21/211367721.db2.gz ASWYYFSNPSPNGL-UHFFFAOYSA-N -1 0 347.349 4.233 50 0 EIAARM CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)[O-])cc1O2 ZINC000011766681 211246802 /nfs/dbraw/zinc/24/68/02/211246802.db2.gz WANGOBMTSMKKGJ-UHFFFAOYSA-N -1 0 346.423 4.090 50 0 biogenic EIAARM Cc1[n-]n2c(nc(C)c(Cc3ccc(C)cc3)c2=O)c1-c1ccccc1 ZINC000009698355 211115990 /nfs/dbraw/zinc/11/59/90/211115990.db2.gz PUUVGRBBTXXZHW-UHFFFAOYSA-N -1 0 343.430 4.206 50 0 EIAARM CCCCOC(=O)N=c1[n-]nc(C=Cc2ccc(OC)cc2)s1 ZINC000009350696 211071288 /nfs/dbraw/zinc/07/12/88/211071288.db2.gz YWQKWKWDLYLBSD-JXMROGBWSA-N -1 0 333.413 4.066 50 0 EIAARM O=C([O-])c1ccc(Nc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000008921171 211018090 /nfs/dbraw/zinc/01/80/90/211018090.db2.gz WWZYTCHSHCEEGJ-UHFFFAOYSA-N -1 0 341.370 4.161 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2cc(F)ccc2s1 ZINC000008429627 210952516 /nfs/dbraw/zinc/95/25/16/210952516.db2.gz IOKWRADOWHZMHH-UHFFFAOYSA-N -1 0 329.352 4.299 50 0 EIAARM COc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000000464860 258048568 /nfs/dbraw/zinc/04/85/68/258048568.db2.gz ROHSXYKNRZDETL-UHFFFAOYSA-N -1 0 347.370 4.313 50 0 EIAARM CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(C(=O)[O-])cc21 ZINC000003030008 536305511 /nfs/dbraw/zinc/30/55/11/536305511.db2.gz MFLAAGXBKNQNGO-OVCLIPMQSA-N -1 0 345.807 4.148 50 0 EIAARM O=C([O-])c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000252601233 564090679 /nfs/dbraw/zinc/09/06/79/564090679.db2.gz DYGQDZMALUROMH-PQHMUBMVSA-N -1 0 346.180 4.449 50 0 EIAARM CC(C)Oc1ccc(COc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000000395753 563304817 /nfs/dbraw/zinc/30/48/17/563304817.db2.gz GLFLCHKTOFZNFB-UHFFFAOYSA-N -1 0 334.799 4.333 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000453461 563322032 /nfs/dbraw/zinc/32/20/32/563322032.db2.gz NELARAWHQUUMMT-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)[O-])c23)cc1 ZINC000001935777 563416840 /nfs/dbraw/zinc/41/68/40/563416840.db2.gz PJAKGZYJOFIOMB-JTQLQIEISA-N -1 0 330.434 4.232 50 0 EIAARM O=C([O-])CCCSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002513425 563435262 /nfs/dbraw/zinc/43/52/62/563435262.db2.gz HLMUIBMDGMZWFE-UHFFFAOYSA-N -1 0 342.342 4.119 50 0 EIAARM COc1cc(C(=O)[O-])cc2c1OC(c1ccccc1)(c1ccccc1)O2 ZINC000008729804 563637994 /nfs/dbraw/zinc/63/79/94/563637994.db2.gz GPIAHEOCAUKJPB-UHFFFAOYSA-N -1 0 348.354 4.066 50 0 EIAARM Cc1ccc(CN[C@H](c2ccc3ccccc3c2)[P@@](=O)([O-])O)cc1 ZINC000013004730 563685328 /nfs/dbraw/zinc/68/53/28/563685328.db2.gz VEPCSRHGYDLCKV-IBGZPJMESA-N -1 0 341.347 4.114 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(NCc3ccco3)n2)c1[O-] ZINC000013127711 563689885 /nfs/dbraw/zinc/68/98/85/563689885.db2.gz GZVMTDFIJBFBTI-UHFFFAOYSA-N -1 0 347.374 4.216 50 0 EIAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000014255815 563755936 /nfs/dbraw/zinc/75/59/36/563755936.db2.gz SWGOBHHTJRRWBH-LLVKDONJSA-N -1 0 325.380 4.279 50 0 EIAARM CC(=O)C(Cc1ccc(Br)cc1)=C([O-])c1ccccc1 ZINC000025247237 563882549 /nfs/dbraw/zinc/88/25/49/563882549.db2.gz VMPAGJVEGROIQD-MRXNPFEDSA-N -1 0 331.209 4.080 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@]1(C)C(=O)[O-] ZINC000022779924 563918651 /nfs/dbraw/zinc/91/86/51/563918651.db2.gz ILDYKPGXKROROM-HWPZZCPQSA-N -1 0 344.238 4.459 50 0 EIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000442447 563999634 /nfs/dbraw/zinc/99/96/34/563999634.db2.gz JLBBVNHXISKUBV-UHFFFAOYSA-N -1 0 347.823 4.303 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000002986849 564013483 /nfs/dbraw/zinc/01/34/83/564013483.db2.gz WGLKQWYPTZITQE-UHFFFAOYSA-N -1 0 335.812 4.159 50 0 EIAARM CC1(C)CC(=O)C(C(=O)Nc2sc3ccccc3c2Cl)=C([O-])C1 ZINC000101147457 564019247 /nfs/dbraw/zinc/01/92/47/564019247.db2.gz YDLWZZASHURBGT-UHFFFAOYSA-N -1 0 349.839 4.068 50 0 EIAARM O=C([O-])C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2o1 ZINC000005269437 564031904 /nfs/dbraw/zinc/03/19/04/564031904.db2.gz ONNLBKXOEJACCE-FMIVXFBMSA-N -1 0 345.301 4.445 50 0 EIAARM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000095948787 564033253 /nfs/dbraw/zinc/03/32/53/564033253.db2.gz MTECQASRJFIVPK-UHFFFAOYSA-N -1 0 334.199 4.242 50 0 EIAARM Cc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)sc1C(=O)[O-] ZINC000534673153 564061585 /nfs/dbraw/zinc/06/15/85/564061585.db2.gz LTHPWOQNEUIWCV-UHFFFAOYSA-N -1 0 346.452 4.076 50 0 EIAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000075436502 564084684 /nfs/dbraw/zinc/08/46/84/564084684.db2.gz OPTSYIWYKAROCI-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2O)nc2cc(Br)ccc21 ZINC000006884701 564100648 /nfs/dbraw/zinc/10/06/48/564100648.db2.gz FQLCRRFGRBNDDU-UHFFFAOYSA-N -1 0 344.164 4.068 50 0 EIAARM Cc1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)[O-])c2)cc1 ZINC000065322789 564105259 /nfs/dbraw/zinc/10/52/59/564105259.db2.gz JCXMKEJOVGKSQO-UHFFFAOYSA-N -1 0 344.374 4.147 50 0 EIAARM Cc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000013391168 564136364 /nfs/dbraw/zinc/13/63/64/564136364.db2.gz JRSKGJCNCIGPLT-UHFFFAOYSA-N -1 0 347.798 4.143 50 0 EIAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000002469572 564149683 /nfs/dbraw/zinc/14/96/83/564149683.db2.gz KYOBVVVMSRWFIV-CYBMUJFWSA-N -1 0 325.408 4.232 50 0 EIAARM Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000008718233 564166875 /nfs/dbraw/zinc/16/68/75/564166875.db2.gz XEOGGLUAJGBALZ-UHFFFAOYSA-N -1 0 330.192 4.314 50 0 EIAARM Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)[n-]1 ZINC000004006395 1022595417 /nfs/dbraw/zinc/59/54/17/1022595417.db2.gz PSQFHJSQCQJSJJ-UHFFFAOYSA-N -1 0 342.402 4.232 50 0 EIAARM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000331235189 1023649385 /nfs/dbraw/zinc/64/93/85/1023649385.db2.gz DWURHSGAIYWHBT-UHFFFAOYSA-N -1 0 338.860 4.276 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccc2c(c1)CCCC2)c1c[nH]c2ccccc21 ZINC000004488159 1024224582 /nfs/dbraw/zinc/22/45/82/1024224582.db2.gz BDBNNQMGNNSGQB-SFHVURJKSA-N -1 0 347.414 4.488 50 0 EIAARM O=C([O-])c1ccc(/C=C(/Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000170656270 1036752756 /nfs/dbraw/zinc/75/27/56/1036752756.db2.gz QHNXLSNVXUAIJT-KPKJPENVSA-N -1 0 344.710 4.171 50 0 EIAARM O=C([O-])c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000000467117 1053336763 /nfs/dbraw/zinc/33/67/63/1053336763.db2.gz YJZKPXQCASVSAI-UHFFFAOYSA-N -1 0 333.343 4.429 50 0 EIAARM O=C([O-])c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 ZINC000004700951 210254008 /nfs/dbraw/zinc/25/40/08/210254008.db2.gz VBWIMVRMVJGEGY-UHFFFAOYSA-N -1 0 335.812 4.231 50 0 EIAARM C[C@@H]1c2ccccc2C(C)(C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N21 ZINC000004029027 210102847 /nfs/dbraw/zinc/10/28/47/210102847.db2.gz NQBARXGSXIAIJK-SJKOYZFVSA-N -1 0 335.403 4.324 50 0 biogenic EIAARM Cc1sc([N-]c2ncccn2)nc1-c1ccc(Br)cc1 ZINC000067322075 215133621 /nfs/dbraw/zinc/13/36/21/215133621.db2.gz PDVIXDYCFHXEOG-UHFFFAOYSA-N -1 0 347.241 4.415 50 0 EIAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000035142210 213009310 /nfs/dbraw/zinc/00/93/10/213009310.db2.gz QJSLJLSQEYRTPS-BLLLJJGKSA-N -1 0 331.799 4.173 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000000224938 209495835 /nfs/dbraw/zinc/49/58/35/209495835.db2.gz USPKYPKYLWABGE-UHFFFAOYSA-N -1 0 334.194 4.424 50 0 EIAARM O=C(c1cnc2c(c1)COc1ccccc1-2)c1cc(Cl)ccc1[O-] ZINC000000113120 209428605 /nfs/dbraw/zinc/42/86/05/209428605.db2.gz AVYPRQLKGLXVKV-UHFFFAOYSA-N -1 0 337.762 4.231 50 0 EIAARM O=C(c1ccc2[n-]c(=S)oc2c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000074055424 216450687 /nfs/dbraw/zinc/45/06/87/216450687.db2.gz AEPPXVFSKPTYSI-CQSZACIVSA-N -1 0 346.452 4.054 50 0 EIAARM O=C(OC(=C([O-])c1ccco1)c1ccco1)c1ccc(Cl)cc1 ZINC000020413120 212126951 /nfs/dbraw/zinc/12/69/51/212126951.db2.gz MZJNSUYYSMLRLA-INIZCTEOSA-N -1 0 330.723 4.307 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000012396995 211368239 /nfs/dbraw/zinc/36/82/39/211368239.db2.gz OUYJPDGBRJIXFT-UHFFFAOYSA-N -1 0 334.306 4.394 50 0 EIAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000009245005 211058258 /nfs/dbraw/zinc/05/82/58/211058258.db2.gz SONSZYOCVZSTCK-UHFFFAOYSA-N -1 0 343.370 4.431 50 0 EIAARM CCC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2sc1=O ZINC000005485694 210472939 /nfs/dbraw/zinc/47/29/39/210472939.db2.gz NSPGHQXOPUYSBM-MRXNPFEDSA-N -1 0 338.428 4.468 50 0 EIAARM O=C([O-])CSc1nc(SCc2ccccc2)nc2ccccc21 ZINC000000034079 208552463 /nfs/dbraw/zinc/55/24/63/208552463.db2.gz HLDLEGJNNPTFKH-UHFFFAOYSA-N -1 0 342.445 4.099 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000004893676 210314183 /nfs/dbraw/zinc/31/41/83/210314183.db2.gz VDBPMDLICMFYOB-KBPBESRZSA-N -1 0 342.222 4.379 50 0 EIAARM Brc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000000190313 563256264 /nfs/dbraw/zinc/25/62/64/563256264.db2.gz CGOCTGZJEXOMEP-UHFFFAOYSA-N -1 0 333.214 4.106 50 0 EIAARM CC(=O)OCc1ccccc1Sc1ccc(Cl)cc1C(=O)[O-] ZINC000000086229 563220461 /nfs/dbraw/zinc/22/04/61/563220461.db2.gz WIGMJPDFRYRDNS-UHFFFAOYSA-N -1 0 336.796 4.253 50 0 EIAARM Cc1cc(C)c(C(=O)Nc2ccccc2)c(CC(C)(C)C(=O)[O-])c1 ZINC000000137994 563241164 /nfs/dbraw/zinc/24/11/64/563241164.db2.gz YCJSLNUSGGTXOE-UHFFFAOYSA-N -1 0 325.408 4.209 50 0 EIAARM Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])n1 ZINC000000492437 563338419 /nfs/dbraw/zinc/33/84/19/563338419.db2.gz NYNFKLHUOPQBED-UHFFFAOYSA-N -1 0 332.359 4.008 50 0 EIAARM COc1ccc(Sc2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000001386409 563385075 /nfs/dbraw/zinc/38/50/75/563385075.db2.gz GJOZESNWWLBUGI-UHFFFAOYSA-N -1 0 338.388 4.002 50 0 EIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000002577883 563442923 /nfs/dbraw/zinc/44/29/23/563442923.db2.gz ZWLSFMKIYINIHZ-KRWDZBQOSA-N -1 0 341.407 4.394 50 0 EIAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000002882118 563461138 /nfs/dbraw/zinc/46/11/38/563461138.db2.gz IOJZUNWLEGNRIS-UHFFFAOYSA-N -1 0 337.416 4.067 50 0 EIAARM Cc1ccc(S(=O)(=O)CCCCCCCCCCC(=O)[O-])cc1 ZINC000003130420 563473518 /nfs/dbraw/zinc/47/35/18/563473518.db2.gz PJCNWQNNDMVVQC-UHFFFAOYSA-N -1 0 340.485 4.364 50 0 EIAARM C[C@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)[O-] ZINC000005734682 563548026 /nfs/dbraw/zinc/54/80/26/563548026.db2.gz MPPOHAUSNPTFAJ-VIFPVBQESA-N -1 0 333.727 4.125 50 0 EIAARM CCCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000006493351 563569924 /nfs/dbraw/zinc/56/99/24/563569924.db2.gz GNUVLZHGIVBUOL-UHFFFAOYSA-N -1 0 343.430 4.233 50 0 EIAARM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000004184630 563595948 /nfs/dbraw/zinc/59/59/48/563595948.db2.gz IJIVRVVHHDLZKV-SECBINFHSA-N -1 0 349.839 4.477 50 0 EIAARM Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CC(=O)[O-])c1 ZINC000007467078 563602861 /nfs/dbraw/zinc/60/28/61/563602861.db2.gz SWDUKYLRTDJLRI-UHFFFAOYSA-N -1 0 338.407 4.132 50 0 EIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c(C)c1 ZINC000014229835 563752710 /nfs/dbraw/zinc/75/27/10/563752710.db2.gz DTJIOSZNRLQKRC-UHFFFAOYSA-N -1 0 346.477 4.331 50 0 EIAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cc(F)cc(F)c1 ZINC000016120411 563804071 /nfs/dbraw/zinc/80/40/71/563804071.db2.gz FNDTZLQUTBAZAV-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM O=C([O-])c1ccc(-c2cc(Br)ccc2Br)o1 ZINC000042581883 563924777 /nfs/dbraw/zinc/92/47/77/563924777.db2.gz BJPJAVDYCHJHEO-UHFFFAOYSA-N -1 0 345.974 4.170 50 0 EIAARM Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071721670 563964792 /nfs/dbraw/zinc/96/47/92/563964792.db2.gz KONBRAGMXSRMIT-KRWDZBQOSA-N -1 0 341.426 4.325 50 0 EIAARM Cc1cc(N2CC[C@@H](c3ccc(C(=O)[O-])cc3)C2)nc2ccccc12 ZINC000077485332 563969918 /nfs/dbraw/zinc/96/99/18/563969918.db2.gz WKCGOELSPCCLPD-QGZVFWFLSA-N -1 0 332.403 4.235 50 0 EIAARM Cc1cc(C)n(-c2nc(=O)c3scc(-c4ccc(C)cc4)c3[n-]2)n1 ZINC000096511568 563980815 /nfs/dbraw/zinc/98/08/15/563980815.db2.gz HZHCYBPREBGNFS-UHFFFAOYSA-N -1 0 336.420 4.175 50 0 EIAARM O=C([O-])/C=C/c1cnc(/C=C/C2=Cc3cc(Cl)ccc3OC2)s1 ZINC000072312327 563983923 /nfs/dbraw/zinc/98/39/23/563983923.db2.gz LCUSHPYATCOFJI-GCFDIWBDSA-N -1 0 345.807 4.384 50 0 EIAARM O=C([O-])c1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005332639 564002696 /nfs/dbraw/zinc/00/26/96/564002696.db2.gz SVBZXLRKUYAOHJ-UHFFFAOYSA-N -1 0 325.393 4.012 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000298874 564012334 /nfs/dbraw/zinc/01/23/34/564012334.db2.gz JJDSUPROAPQFLB-ZWKOTPCHSA-N -1 0 337.375 4.084 50 0 EIAARM CCC(CC)Oc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583651612 564018348 /nfs/dbraw/zinc/01/83/48/564018348.db2.gz PLNUZAJIVVXAQW-UHFFFAOYSA-N -1 0 327.380 4.205 50 0 EIAARM O=C([O-])C1(CC(=O)Nc2ccc(Cl)cc2Cl)CCCCC1 ZINC000013250351 564019629 /nfs/dbraw/zinc/01/96/29/564019629.db2.gz QKRKUKQCODOOGK-UHFFFAOYSA-N -1 0 330.211 4.357 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1cccs1 ZINC000044903362 564027624 /nfs/dbraw/zinc/02/76/24/564027624.db2.gz KKABXTJFQCYAQB-LBPRGKRZSA-N -1 0 338.388 4.361 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053311 564029377 /nfs/dbraw/zinc/02/93/77/564029377.db2.gz AMJJUVYWXYHLSB-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM O=C([O-])[C@H](Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000263623370 564056477 /nfs/dbraw/zinc/05/64/77/564056477.db2.gz GVJHGORMXVVRNX-LLVKDONJSA-N -1 0 329.705 4.165 50 0 EIAARM CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OCC)c2)c([O-])c1 ZINC000004656474 564064657 /nfs/dbraw/zinc/06/46/57/564064657.db2.gz UPRJVHNDXBNNOS-UXBLZVDNSA-N -1 0 342.391 4.094 50 0 EIAARM CN1c2ccccc2C(C)(C)/C1=C/C=Nc1ccc(O)c(C(=O)[O-])c1 ZINC000252634826 564090748 /nfs/dbraw/zinc/09/07/48/564090748.db2.gz WRNCAOCDTFHBTL-ULBHOXLKSA-N -1 0 336.391 4.104 50 0 EIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1C ZINC000006667886 564095691 /nfs/dbraw/zinc/09/56/91/564095691.db2.gz WNZNHTOLZAZKCE-UHFFFAOYSA-N -1 0 339.844 4.080 50 0 EIAARM CC[C@@H](C)c1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)cc1 ZINC000006811575 564098650 /nfs/dbraw/zinc/09/86/50/564098650.db2.gz PHJBIYUPQJHCGN-GFCCVEGCSA-N -1 0 344.436 4.024 50 0 EIAARM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000089610686 564112708 /nfs/dbraw/zinc/11/27/08/564112708.db2.gz QAAJVTMMTKVWQT-AWEZNQCLSA-N -1 0 333.815 4.391 50 0 EIAARM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)o1 ZINC000170651472 564120491 /nfs/dbraw/zinc/12/04/91/564120491.db2.gz PUDSOADDYNRFPC-HZMBPMFUSA-N -1 0 347.361 4.192 50 0 EIAARM O=C([O-])c1ccccc1CCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000097039168 564149256 /nfs/dbraw/zinc/14/92/56/564149256.db2.gz FYWLKDIMTAVZET-QGZVFWFLSA-N -1 0 341.407 4.054 50 0 EIAARM O=C(Nc1cc(Cl)ccc1O)c1noc2c1CCc1ccccc1-2 ZINC000002465961 564149665 /nfs/dbraw/zinc/14/96/65/564149665.db2.gz XFHMMBBGFFIFTN-UHFFFAOYSA-N -1 0 340.766 4.052 50 0 EIAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000003217556 564156084 /nfs/dbraw/zinc/15/60/84/564156084.db2.gz WNWSZNYJFILBHP-UHFFFAOYSA-N -1 0 331.371 4.232 50 0 EIAARM Cc1cc2sc(NC(=O)c3ncoc3[C@@H]3CCCO3)nc2c(C)c1 ZINC000070014345 564173301 /nfs/dbraw/zinc/17/33/01/564173301.db2.gz GPWRFHNWUOVICB-NSHDSACASA-N -1 0 343.408 4.005 50 0 EIAARM Cc1ccc(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000071405927 564175012 /nfs/dbraw/zinc/17/50/12/564175012.db2.gz LKTFEYUWPXOQQU-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])C1CCC(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)CC1 ZINC000630294621 1048867483 /nfs/dbraw/zinc/86/74/83/1048867483.db2.gz LLONWVROPYSGEG-FAFZWHIHSA-N -1 0 349.430 4.056 50 0 EIAARM C[C@H](c1ccccc1Cl)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000053235359 214171431 /nfs/dbraw/zinc/17/14/31/214171431.db2.gz YKQYVMMXDZUZTN-SNVBAGLBSA-N -1 0 333.844 4.243 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000004701148 210253180 /nfs/dbraw/zinc/25/31/80/210253180.db2.gz CTENGEUCBCFGAH-SOFGYWHQSA-N -1 0 336.174 4.344 50 0 EIAARM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 ZINC000004660907 210240276 /nfs/dbraw/zinc/24/02/76/210240276.db2.gz TVGRFJMGUAQMBT-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM COc1ccccc1-n1[n-]c(C)c(Cc2cccc(Cl)c2)c1=O ZINC000100139206 219092209 /nfs/dbraw/zinc/09/22/09/219092209.db2.gz BWJBGJRMDMLFLQ-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM CC(C)(C)c1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000100232450 219095323 /nfs/dbraw/zinc/09/53/23/219095323.db2.gz JZVCACATMZICKJ-UHFFFAOYSA-N -1 0 335.329 4.006 50 0 EIAARM O=C(C=C([O-])c1ccc(OCc2ccc(F)cc2)cc1)C(F)(F)F ZINC000101033702 219114470 /nfs/dbraw/zinc/11/44/70/219114470.db2.gz VNUUNUTYLKCVQD-UHFFFAOYSA-N -1 0 340.272 4.109 50 0 EIAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccc(Cl)cc2)c1=O ZINC000101265204 219120397 /nfs/dbraw/zinc/12/03/97/219120397.db2.gz FETJITQFCSWHAM-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM O=C([O-])c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(O)cc1 ZINC000004226198 210147130 /nfs/dbraw/zinc/14/71/30/210147130.db2.gz HYPTUCMTUGNONW-UHFFFAOYSA-N -1 0 348.280 4.401 50 0 EIAARM COc1ccccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000003884665 210083023 /nfs/dbraw/zinc/08/30/23/210083023.db2.gz MZMAWAFRVUUPQG-JLHYYAGUSA-N -1 0 325.389 4.320 50 0 EIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000003832660 210078730 /nfs/dbraw/zinc/07/87/30/210078730.db2.gz LSZOPDZPJRNDGA-UHFFFAOYSA-N -1 0 340.448 4.333 50 0 EIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)c1 ZINC000003756479 210073345 /nfs/dbraw/zinc/07/33/45/210073345.db2.gz WYQWKEJKMPVOHO-UHFFFAOYSA-N -1 0 337.375 4.234 50 0 EIAARM O=c1c2c(nc3c(-c4ccccc4)c(Cc4ccccc4)[n-]n31)CCC2 ZINC000102615530 219215116 /nfs/dbraw/zinc/21/51/16/219215116.db2.gz SUOIREPXIQCWOM-UHFFFAOYSA-N -1 0 341.414 4.181 50 0 EIAARM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000003344892 210013493 /nfs/dbraw/zinc/01/34/93/210013493.db2.gz LSNXKIGUZULOIF-UHFFFAOYSA-N -1 0 343.370 4.459 50 0 EIAARM Cc1nn(-c2ccccc2C)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000003308160 210002997 /nfs/dbraw/zinc/00/29/97/210002997.db2.gz RIIQIHBHXAKSPX-UHFFFAOYSA-N -1 0 349.415 4.464 50 0 EIAARM C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1C1CCCCC1 ZINC000067803731 215216766 /nfs/dbraw/zinc/21/67/66/215216766.db2.gz QHWSHMXHIMCIFD-ZDUSSCGKSA-N -1 0 345.468 4.112 50 0 EIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000002389147 209845421 /nfs/dbraw/zinc/84/54/21/209845421.db2.gz WERAVAVZZMWCOE-NSHDSACASA-N -1 0 334.199 4.034 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000040312632 213291419 /nfs/dbraw/zinc/29/14/19/213291419.db2.gz SQFHJDMBVMHIEG-HNNXBMFYSA-N -1 0 348.358 4.005 50 0 biogenic EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1ccccc1 ZINC000040286816 213289355 /nfs/dbraw/zinc/28/93/55/213289355.db2.gz YHWZJDGHWFIVDF-OAHLLOKOSA-N -1 0 332.359 4.299 50 0 EIAARM Cc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2Cl)cc1 ZINC000000191475 209475522 /nfs/dbraw/zinc/47/55/22/209475522.db2.gz JVHBAHLDGJVMNX-UHFFFAOYSA-N -1 0 333.771 4.244 50 0 EIAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000072414236 216205399 /nfs/dbraw/zinc/20/53/99/216205399.db2.gz SYOMRHCJNXVMQH-UHFFFAOYSA-N -1 0 326.421 4.159 50 0 EIAARM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000000109674 209426151 /nfs/dbraw/zinc/42/61/51/209426151.db2.gz FZVBTNKDPWXQCI-GOSISDBHSA-N -1 0 339.435 4.238 50 0 EIAARM Cc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1Cl ZINC000000069506 209399971 /nfs/dbraw/zinc/39/99/71/209399971.db2.gz HGAMMGVTTJXLNF-AWEZNQCLSA-N -1 0 331.799 4.236 50 0 EIAARM Cc1cccc(C[C@H](CC(=O)[O-])C(=O)Nc2cccc(Cl)c2C)c1 ZINC000000049602 209390761 /nfs/dbraw/zinc/39/07/61/209390761.db2.gz SUOYQYMDKFKTDK-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])c1cc(-c2cccs2)nn1-c1ccc(Br)cc1 ZINC000025762773 212496525 /nfs/dbraw/zinc/49/65/25/212496525.db2.gz ZUKILYDWEJHKRF-UHFFFAOYSA-N -1 0 349.209 4.062 50 0 EIAARM O=c1oc2cc([O-])ccc2cc1-c1csc(-c2ccc(F)cc2)n1 ZINC000020720369 212163643 /nfs/dbraw/zinc/16/36/43/212163643.db2.gz ORKNMKHBDJYICG-UHFFFAOYSA-N -1 0 339.347 4.428 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccccc3)nn21 ZINC000020615926 212156409 /nfs/dbraw/zinc/15/64/09/212156409.db2.gz GHQUIUKVYYCERG-UHFFFAOYSA-N -1 0 349.777 4.415 50 0 EIAARM O=C([O-])c1ccc(Cl)c(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000020284636 212115492 /nfs/dbraw/zinc/11/54/92/212115492.db2.gz YVJFUGSOVOSVRP-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]32)cc1 ZINC000016661369 211926982 /nfs/dbraw/zinc/92/69/82/211926982.db2.gz VUIVNIRTYXJXCX-RRQGHBQHSA-N -1 0 329.783 4.283 50 0 EIAARM Cc1sc2ncnc(SCc3cccc(C(=O)[O-])c3)c2c1C ZINC000011990480 211276579 /nfs/dbraw/zinc/27/65/79/211276579.db2.gz PLVXFNDBDNKRQP-UHFFFAOYSA-N -1 0 330.434 4.299 50 0 EIAARM CCC(CC)(CC(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000010171126 211151412 /nfs/dbraw/zinc/15/14/12/211151412.db2.gz FYMJXANHEBZDPM-UHFFFAOYSA-N -1 0 345.443 4.080 50 0 EIAARM O=C([O-])C1(OC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 ZINC000009914371 211133772 /nfs/dbraw/zinc/13/37/72/211133772.db2.gz PRDFIVUVDAGPPA-UHFFFAOYSA-N -1 0 338.403 4.149 50 0 EIAARM CCc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1 ZINC000009669149 211113133 /nfs/dbraw/zinc/11/31/33/211113133.db2.gz PHGMGTXWXLYLTE-UHFFFAOYSA-N -1 0 340.814 4.127 50 0 EIAARM Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[n-]2)cc1 ZINC000009191576 211050605 /nfs/dbraw/zinc/05/06/05/211050605.db2.gz SYPRDCNRXLYOKE-UHFFFAOYSA-N -1 0 336.420 4.055 50 0 EIAARM CSc1ccc2nc([N-]c3nnc(-c4ccco4)o3)sc2c1 ZINC000005122885 210395355 /nfs/dbraw/zinc/39/53/55/210395355.db2.gz QZGRCVBRYIFJKM-UHFFFAOYSA-N -1 0 330.394 4.405 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@]1(C)C(=O)[O-] ZINC000004990529 210353196 /nfs/dbraw/zinc/35/31/96/210353196.db2.gz VCVVCJOWADKOTC-QLJPJBMISA-N -1 0 344.238 4.459 50 0 EIAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000000034758 208552908 /nfs/dbraw/zinc/55/29/08/208552908.db2.gz YVZXXBUYNATFEK-VXGBXAGGSA-N -1 0 342.222 4.379 50 0 EIAARM CC(C)Cc1csc(NC(=O)/C=C/c2ccccc2)c1C(=O)[O-] ZINC000004865530 210304754 /nfs/dbraw/zinc/30/47/54/210304754.db2.gz LZBMIDTVNHHAQK-CMDGGOBGSA-N -1 0 329.421 4.297 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004844825 210297009 /nfs/dbraw/zinc/29/70/09/210297009.db2.gz FODAYZOULDVYKJ-ZJUUUORDSA-N -1 0 348.613 4.165 50 0 EIAARM Cc1ccc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)c(C)c1 ZINC000524729159 257843323 /nfs/dbraw/zinc/84/33/23/257843323.db2.gz GRQPCXOWXWFQAA-UHFFFAOYSA-N -1 0 348.354 4.450 50 0 EIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000000127351 563986868 /nfs/dbraw/zinc/98/68/68/563986868.db2.gz ZJNZMGUHVKDQSF-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM O=C([N-]C(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl ZINC000000166755 563249653 /nfs/dbraw/zinc/24/96/53/563249653.db2.gz BOVHEHORTGZFRG-UHFFFAOYSA-N -1 0 342.153 4.199 50 0 EIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000000275651 563270760 /nfs/dbraw/zinc/27/07/60/563270760.db2.gz BXJMANFSCOASFD-UHFFFAOYSA-N -1 0 346.477 4.395 50 0 EIAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000304568 563277387 /nfs/dbraw/zinc/27/73/87/563277387.db2.gz MKSLVQLOZVWBQL-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000377474 563299382 /nfs/dbraw/zinc/29/93/82/563299382.db2.gz LKLCOPYQBFEPMS-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)cc(Cl)c1OCC ZINC000000386392 563303140 /nfs/dbraw/zinc/30/31/40/563303140.db2.gz PQUSTHCBDPTSEM-UHFFFAOYSA-N -1 0 349.814 4.448 50 0 EIAARM O=C([O-])c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000000397530 563305139 /nfs/dbraw/zinc/30/51/39/563305139.db2.gz RAPJIPXYCVHSNT-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 in-vitro EIAARM O=Cc1cc(Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000000444713 563316346 /nfs/dbraw/zinc/31/63/46/563316346.db2.gz SKWSCRSUOSVEJO-UHFFFAOYSA-N -1 0 325.589 4.211 50 0 EIAARM O=C([O-])Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000614221 563357051 /nfs/dbraw/zinc/35/70/51/563357051.db2.gz HMQRNKFGWXTJPW-UHFFFAOYSA-N -1 0 345.398 4.084 50 0 EIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)cc1 ZINC000002886442 563461785 /nfs/dbraw/zinc/46/17/85/563461785.db2.gz NNKZRRJFEXXVOD-UHFFFAOYSA-N -1 0 349.452 4.018 50 0 EIAARM O=C([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000003082461 563471275 /nfs/dbraw/zinc/47/12/75/563471275.db2.gz IJASPRKMUUQAKN-UHFFFAOYSA-N -1 0 344.414 4.410 50 0 EIAARM O=C([O-])c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000005673001 563544852 /nfs/dbraw/zinc/54/48/52/563544852.db2.gz XHOWPNGFFOTJKG-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM Cc1nc(-c2c(=O)c3c(C)cc([O-])cc3oc2C(F)(F)F)cs1 ZINC000005730272 563547586 /nfs/dbraw/zinc/54/75/86/563547586.db2.gz XJJADFGTROJYRH-UHFFFAOYSA-N -1 0 341.310 4.258 50 0 EIAARM S=c1[n-]nc(Cc2noc3ccccc23)n1-c1ccc(Cl)cc1 ZINC000005757294 563549448 /nfs/dbraw/zinc/54/94/48/563549448.db2.gz QLOIXBFEJTXUNY-UHFFFAOYSA-N -1 0 342.811 4.315 50 0 EIAARM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(-c2ccccc2)o1 ZINC000005959719 563556262 /nfs/dbraw/zinc/55/62/62/563556262.db2.gz DARBCOBOCAAKBD-UHFFFAOYSA-N -1 0 335.359 4.134 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000006668228 563577461 /nfs/dbraw/zinc/57/74/61/563577461.db2.gz IAOHTVXMLUTPEE-LSDHHAIUSA-N -1 0 341.407 4.141 50 0 EIAARM Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc(C)c1Cl ZINC000002761525 563610200 /nfs/dbraw/zinc/61/02/00/563610200.db2.gz RAPHCBHSLCBXRK-GFCCVEGCSA-N -1 0 347.798 4.061 50 0 EIAARM Cc1cc(OCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1 ZINC000013475083 563699117 /nfs/dbraw/zinc/69/91/17/563699117.db2.gz QNAZTOHXCZPOSA-UHFFFAOYSA-N -1 0 328.408 4.187 50 0 investigational EIAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000014120402 563742825 /nfs/dbraw/zinc/74/28/25/563742825.db2.gz KYTCWRRORYFYLG-UHFFFAOYSA-N -1 0 340.228 4.303 50 0 EIAARM CCOC(=O)N=c1[n-]nc(S[C@@H]2CCCc3ccccc32)s1 ZINC000070014772 563898818 /nfs/dbraw/zinc/89/88/18/563898818.db2.gz QSZWENKSHZMJHT-GFCCVEGCSA-N -1 0 335.454 4.276 50 0 EIAARM Cc1noc(C)c1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000058063464 563937082 /nfs/dbraw/zinc/93/70/82/563937082.db2.gz KKFZJRYHAYBCCS-UHFFFAOYSA-N -1 0 349.239 4.016 50 0 EIAARM COCCCCc1nc(=O)c2sc(-c3ccccc3Cl)cc2[n-]1 ZINC000058478007 563946700 /nfs/dbraw/zinc/94/67/00/563946700.db2.gz ZTJCCURINNMXGZ-UHFFFAOYSA-N -1 0 348.855 4.274 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)SC1CCCCC1 ZINC000000122070 563986809 /nfs/dbraw/zinc/98/68/09/563986809.db2.gz XEMPCCOMITUYOD-HNNXBMFYSA-N -1 0 326.845 4.432 50 0 EIAARM COc1ccc([C@@H](C2CC2)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000073123958 563994897 /nfs/dbraw/zinc/99/48/97/563994897.db2.gz UDDBFCIRONZBFT-QGZVFWFLSA-N -1 0 338.432 4.067 50 0 EIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(F)(F)F ZINC000061720430 564000475 /nfs/dbraw/zinc/00/04/75/564000475.db2.gz QYSNQFPCVJBNHI-QMMMGPOBSA-N -1 0 341.310 4.101 50 0 EIAARM COc1ccccc1-n1c(=S)[n-]nc1-c1ccc2ccccc2n1 ZINC000005570288 564005702 /nfs/dbraw/zinc/00/57/02/564005702.db2.gz XTVXFJSDVFPFCY-UHFFFAOYSA-N -1 0 334.404 4.154 50 0 EIAARM Cc1ccc(C(=O)c2coc3ccc([O-])c(Br)c23)cc1 ZINC000005928695 564006155 /nfs/dbraw/zinc/00/61/55/564006155.db2.gz DFMJVIVFYMIKPF-UHFFFAOYSA-N -1 0 331.165 4.440 50 0 EIAARM O=C([O-])c1ccc2[nH+]cc(C(=O)[O-])c(Nc3cccc(Cl)c3)c2c1 ZINC000005610184 564006370 /nfs/dbraw/zinc/00/63/70/564006370.db2.gz XKIHOIBWGOLMNZ-UHFFFAOYSA-N -1 0 342.738 4.028 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000335963 564012453 /nfs/dbraw/zinc/01/24/53/564012453.db2.gz KLHJWYMUYRHVIZ-NXEZZACHSA-N -1 0 349.736 4.188 50 0 EIAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c(Cl)cccc21 ZINC000000488291 564017328 /nfs/dbraw/zinc/01/73/28/564017328.db2.gz RGOIRMSFDXYJFH-YMTOWFKASA-N -1 0 327.767 4.247 50 0 biogenic EIAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012548429 564058965 /nfs/dbraw/zinc/05/89/65/564058965.db2.gz DTNWOUYQYMANHB-UHFFFAOYSA-N -1 0 336.265 4.473 50 0 EIAARM CCc1cccc(CC)c1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000012694589 564063336 /nfs/dbraw/zinc/06/33/36/564063336.db2.gz LIUDDXZXUFURRG-NRFANRHFSA-N -1 0 339.435 4.183 50 0 EIAARM Cc1ccc2[n-]cc(-c3nc(-c4ccccc4Cl)no3)c(=O)c2c1 ZINC000075352727 564082035 /nfs/dbraw/zinc/08/20/35/564082035.db2.gz YPOSKIDVYQXPJY-UHFFFAOYSA-N -1 0 337.766 4.207 50 0 EIAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1OC(F)F ZINC000252474665 564090146 /nfs/dbraw/zinc/09/01/46/564090146.db2.gz JPODROTVTDQMGR-UHFFFAOYSA-N -1 0 334.322 4.131 50 0 EIAARM CC(C)COC(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000006781773 564097628 /nfs/dbraw/zinc/09/76/28/564097628.db2.gz GYRADWZRGWKOIR-UHFFFAOYSA-N -1 0 335.473 4.210 50 0 EIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cn(C(C)C)c3ncccc23)c1 ZINC000065242183 564103364 /nfs/dbraw/zinc/10/33/64/564103364.db2.gz WNUANZYZHLANLP-UHFFFAOYSA-N -1 0 343.452 4.035 50 0 EIAARM Cc1nn(-c2ccc(C)cc2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000007141069 564105408 /nfs/dbraw/zinc/10/54/08/564105408.db2.gz ZVVWMVVGJGJGQO-UHFFFAOYSA-N -1 0 349.415 4.464 50 0 EIAARM CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)O2)cc1 ZINC000003279896 564156898 /nfs/dbraw/zinc/15/68/98/564156898.db2.gz RREMZUKAHJITRP-SFQUDFHCSA-N -1 0 349.386 4.027 50 0 EIAARM CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000058065118 564157417 /nfs/dbraw/zinc/15/74/17/564157417.db2.gz KCTOPFHUZWZMEQ-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM CCCCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000031903963 564160201 /nfs/dbraw/zinc/16/02/01/564160201.db2.gz YCWQPHUCOMDZSB-UHFFFAOYSA-N -1 0 348.468 4.068 50 0 EIAARM Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(Cl)cc1Cl ZINC000041095270 564173111 /nfs/dbraw/zinc/17/31/11/564173111.db2.gz FAGAWXMXNXBFOW-RNCFNFMXSA-N -1 0 336.284 4.159 50 0 EIAARM CC(C)c1nc(/C=C\c2cnc(C(C)(C)C)s2)ncc1C(=O)[O-] ZINC000255627641 1030715459 /nfs/dbraw/zinc/71/54/59/1030715459.db2.gz MCNNEPQWKHADIR-SREVYHEPSA-N -1 0 331.441 4.223 50 0 EIAARM O=c1nc(CN2CCC[C@@H]2/C=C\c2ccccc2)[n-]c2ccsc21 ZINC000543731556 1043081216 /nfs/dbraw/zinc/08/12/16/1043081216.db2.gz VCZIARZZSGIXME-WHLNPGIBSA-N -1 0 337.448 4.075 50 0 EIAARM CCC(CC)(CC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000055150058 214279429 /nfs/dbraw/zinc/27/94/29/214279429.db2.gz GARBMXAQWZAYCU-ZDUSSCGKSA-N -1 0 331.412 4.200 50 0 EIAARM Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(/C=C\C(=O)[O-])c1 ZINC000004557914 210220984 /nfs/dbraw/zinc/22/09/84/210220984.db2.gz QVKIOAOYTMVPNK-HJWRWDBZSA-N -1 0 327.380 4.236 50 0 EIAARM CCc1ccc(-n2c([S-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071604 219090247 /nfs/dbraw/zinc/09/02/47/219090247.db2.gz SDKKCGFCTABYJZ-UHFFFAOYSA-N -1 0 347.443 4.232 50 0 EIAARM [S-]c1c(Br)cc(Br)cc1Br ZINC000004403784 210187637 /nfs/dbraw/zinc/18/76/37/210187637.db2.gz CSGWTASASRPRAX-UHFFFAOYSA-N -1 0 346.869 4.263 50 0 EIAARM O=C([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000004137107 210128788 /nfs/dbraw/zinc/12/87/88/210128788.db2.gz LUYKTVOYAOILTH-UHFFFAOYSA-N -1 0 338.310 4.318 50 0 EIAARM Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)s1 ZINC000004116987 210123397 /nfs/dbraw/zinc/12/33/97/210123397.db2.gz LFDJDTGCEOIHHG-UHFFFAOYSA-N -1 0 331.422 4.325 50 0 EIAARM O=C([O-])c1ccccc1-c1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000004002418 210098766 /nfs/dbraw/zinc/09/87/66/210098766.db2.gz JWBLJMVYNVVTGM-UHFFFAOYSA-N -1 0 340.688 4.372 50 0 EIAARM Cc1cc(C)cc(C[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000003902925 210088737 /nfs/dbraw/zinc/08/87/37/210088737.db2.gz YPRCUPKLIUBNEQ-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM CCCCc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635576 210068328 /nfs/dbraw/zinc/06/83/28/210068328.db2.gz FVVJRNWEQYRKJG-UHFFFAOYSA-N -1 0 340.448 4.378 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc21 ZINC000003440454 210040825 /nfs/dbraw/zinc/04/08/25/210040825.db2.gz VOURJZUOTXNCLL-UHFFFAOYSA-N -1 0 339.420 4.047 50 0 EIAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccccc1Cl ZINC000003398209 210026341 /nfs/dbraw/zinc/02/63/41/210026341.db2.gz CZLALBZKKXVKRE-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccccc2F)C1 ZINC000102740908 219226353 /nfs/dbraw/zinc/22/63/53/219226353.db2.gz JFSATGIQNCVJJM-CQSZACIVSA-N -1 0 328.347 4.080 50 0 EIAARM O=C([O-])c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000001566109 209760138 /nfs/dbraw/zinc/76/01/38/209760138.db2.gz RTKVIEICPQFBFD-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM Cc1sc2[n-]c(=S)n(C/C=C/c3ccccc3)c(=O)c2c1C ZINC000000567572 209667670 /nfs/dbraw/zinc/66/76/70/209667670.db2.gz SHLLEJQFEXBUHQ-RMKNXTFCSA-N -1 0 328.462 4.451 50 0 EIAARM O=C([O-])C/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000032642050 212820688 /nfs/dbraw/zinc/82/06/88/212820688.db2.gz AOTVRDZAFREXAH-GHXNOFRVSA-N -1 0 339.372 4.040 50 0 EIAARM O=C([O-])Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 ZINC000000395718 209566896 /nfs/dbraw/zinc/56/68/96/209566896.db2.gz JSAPPUHGWVDQMV-UHFFFAOYSA-N -1 0 349.169 4.394 50 0 EIAARM Cc1ccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1 ZINC000000070688 209401463 /nfs/dbraw/zinc/40/14/63/209401463.db2.gz KBTQCSAMDKNHOT-UHFFFAOYSA-N -1 0 326.377 4.266 50 0 EIAARM CCOc1ccc(C(=O)C[C@H](SC2CCCCC2)C(=O)[O-])cc1 ZINC000000044550 209387324 /nfs/dbraw/zinc/38/73/24/209387324.db2.gz INHUZLKXQZRMLW-KRWDZBQOSA-N -1 0 336.453 4.177 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2cccc(Br)c21 ZINC000020006148 212093151 /nfs/dbraw/zinc/09/31/51/212093151.db2.gz NQQATLYCQLWJQH-UHFFFAOYSA-N -1 0 328.165 4.363 50 0 EIAARM O=C([O-])c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1F ZINC000012397980 211368055 /nfs/dbraw/zinc/36/80/55/211368055.db2.gz MHVJPRUXXAACMH-UHFFFAOYSA-N -1 0 337.354 4.013 50 0 EIAARM C[C@H](Oc1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1)C(=O)[O-] ZINC000091695608 218050567 /nfs/dbraw/zinc/05/05/67/218050567.db2.gz YFPQWXOCSBAHLC-QMMMGPOBSA-N -1 0 345.704 4.273 50 0 EIAARM CCCCc1nc2sc3c([n-]c(SC)nc3=O)c2c2c1CCC2 ZINC000008837948 211009723 /nfs/dbraw/zinc/00/97/23/211009723.db2.gz AUJILXOJZUWFLD-UHFFFAOYSA-N -1 0 345.493 4.498 50 0 EIAARM Cc1cc2nc(S/C(=C\c3ccc(O)cc3)C(=O)[O-])[nH]c2cc1C ZINC000005500707 210476394 /nfs/dbraw/zinc/47/63/94/210476394.db2.gz XWGISTOWMYMXEB-SXGWCWSVSA-N -1 0 340.404 4.103 50 0 EIAARM CCCC(CCC)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004823253 210288128 /nfs/dbraw/zinc/28/81/28/210288128.db2.gz GZZWXKKHJGOUKJ-UHFFFAOYSA-N -1 0 342.233 4.302 50 0 EIAARM O=C([O-])c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000004776748 210275438 /nfs/dbraw/zinc/27/54/38/210275438.db2.gz MQKSQWKLLSIFQL-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)o1 ZINC000065003788 258062295 /nfs/dbraw/zinc/06/22/95/258062295.db2.gz JQKSEDWGIRYDHR-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000002726640 564152287 /nfs/dbraw/zinc/15/22/87/564152287.db2.gz LPDVNLVHTKBAPW-UHFFFAOYSA-N -1 0 341.763 4.221 50 0 EIAARM Cc1ccc(C(=O)[C@@H](C)c2c([O-])c3ccccc3oc2=O)c(Cl)c1 ZINC000000070293 563215146 /nfs/dbraw/zinc/21/51/46/563215146.db2.gz WCEQQGXSOZUVPP-NSHDSACASA-N -1 0 342.778 4.447 50 0 EIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000000087128 563220780 /nfs/dbraw/zinc/22/07/80/563220780.db2.gz GLJDZZQQPFAEPQ-AOLKXXINSA-N -1 0 330.268 4.193 50 0 EIAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000000468410 563329621 /nfs/dbraw/zinc/32/96/21/563329621.db2.gz OXQPIZCVNMABDR-ZDUSSCGKSA-N -1 0 341.407 4.224 50 0 EIAARM CC1(C)S[C@@H](c2cccc(Oc3ccccc3)c2)N[C@H]1C(=O)[O-] ZINC000005304296 563526012 /nfs/dbraw/zinc/52/60/12/563526012.db2.gz BBJUNDLJULMHLT-HOTGVXAUSA-N -1 0 329.421 4.046 50 0 EIAARM COc1ccc(Cl)cc1/C=C/C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000008187034 563623243 /nfs/dbraw/zinc/62/32/43/563623243.db2.gz QIMRPCIMPWFZMV-VMPITWQZSA-N -1 0 345.782 4.007 50 0 EIAARM CSc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)[O-] ZINC000012983534 563681909 /nfs/dbraw/zinc/68/19/09/563681909.db2.gz CEMIGTYBAGKRDF-NSHDSACASA-N -1 0 347.461 4.226 50 0 EIAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(Cl)sc1Cl ZINC000014250210 563755537 /nfs/dbraw/zinc/75/55/37/563755537.db2.gz NQIISRKHXSVQFF-UHFFFAOYSA-N -1 0 344.191 4.134 50 0 EIAARM COc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000015017333 563772995 /nfs/dbraw/zinc/77/29/95/563772995.db2.gz OCCRAOGGTJCSKO-SNRMKQJTSA-N -1 0 339.391 4.028 50 0 EIAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000016650492 563818923 /nfs/dbraw/zinc/81/89/23/563818923.db2.gz WTBKWOCEGLBNTO-UHFFFAOYSA-N -1 0 337.416 4.032 50 0 EIAARM CC(=O)C(Cc1ccc(Br)cc1)=C([O-])c1ccccc1 ZINC000025247241 563882536 /nfs/dbraw/zinc/88/25/36/563882536.db2.gz VMPAGJVEGROIQD-INIZCTEOSA-N -1 0 331.209 4.080 50 0 EIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(=O)c1C ZINC000005090960 563919191 /nfs/dbraw/zinc/91/91/91/563919191.db2.gz KCTJXIXQTQGIAE-ZETCQYMHSA-N -1 0 340.235 4.476 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1OCc1csc(Br)c1 ZINC000042340531 563924712 /nfs/dbraw/zinc/92/47/12/563924712.db2.gz QJFLFJMXQSAROL-UHFFFAOYSA-N -1 0 327.199 4.096 50 0 EIAARM Cc1nc(-c2cccc(C(=O)[O-])c2)sc1C(=O)Nc1ccccc1 ZINC000058356657 563943508 /nfs/dbraw/zinc/94/35/08/563943508.db2.gz WSMPTUCRSJQIEA-UHFFFAOYSA-N -1 0 338.388 4.069 50 0 EIAARM Cc1cc(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)ccc1F ZINC000000070745 563974146 /nfs/dbraw/zinc/97/41/46/563974146.db2.gz LKZZDHKJFDTYCH-UHFFFAOYSA-N -1 0 344.367 4.405 50 0 in-vivo EIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1 ZINC000000118181 563986733 /nfs/dbraw/zinc/98/67/33/563986733.db2.gz AYRWCDNBMWRZPK-KRWDZBQOSA-N -1 0 343.398 4.069 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc3ccccc3c2)CC[C@]1(C)C(=O)[O-] ZINC000000190244 563988113 /nfs/dbraw/zinc/98/81/13/563988113.db2.gz CLINVXMMKYZOKG-OXQOHEQNSA-N -1 0 325.408 4.305 50 0 EIAARM COc1ccc([C@H](C2CC2)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000073123961 563994889 /nfs/dbraw/zinc/99/48/89/563994889.db2.gz UDDBFCIRONZBFT-KRWDZBQOSA-N -1 0 338.432 4.067 50 0 EIAARM O=c1c2cc(Br)ccc2[n-]c(=S)n1C1CCCCC1 ZINC000000424974 563998489 /nfs/dbraw/zinc/99/84/89/563998489.db2.gz NWJWTZKEKCGPSM-UHFFFAOYSA-N -1 0 339.258 4.327 50 0 EIAARM CCOc1cc2[n-]c(=S)n(C3CCCCC3)c(=O)c2cc1OCC ZINC000000425111 563998583 /nfs/dbraw/zinc/99/85/83/563998583.db2.gz GYUVXDVTHNIULC-UHFFFAOYSA-N -1 0 348.468 4.362 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000335966 564012461 /nfs/dbraw/zinc/01/24/61/564012461.db2.gz KLHJWYMUYRHVIZ-UWVGGRQHSA-N -1 0 349.736 4.188 50 0 EIAARM O=C([O-])c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1Cl ZINC000018195669 564018674 /nfs/dbraw/zinc/01/86/74/564018674.db2.gz NICRPTZJCNKIGC-UHFFFAOYSA-N -1 0 343.810 4.489 50 0 EIAARM O=c1c(Oc2ccccc2Br)coc2cc([O-])ccc12 ZINC000005731326 564024621 /nfs/dbraw/zinc/02/46/21/564024621.db2.gz CAUVAHLBBURONH-UHFFFAOYSA-N -1 0 333.137 4.053 50 0 biogenic EIAARM Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])o1 ZINC000001014164 564054098 /nfs/dbraw/zinc/05/40/98/564054098.db2.gz DURNDDVSUPYHOT-UHFFFAOYSA-N -1 0 327.361 4.267 50 0 EIAARM COc1cc(/C=C\C(=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000005906736 564056936 /nfs/dbraw/zinc/05/69/36/564056936.db2.gz BLDYEJVKHIADTA-DAXSKMNVSA-N -1 0 336.746 4.165 50 0 EIAARM CC(C)[C@@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cccs1 ZINC000012916957 564078074 /nfs/dbraw/zinc/07/80/74/564078074.db2.gz XTDRUFBEWSOALI-MRXNPFEDSA-N -1 0 349.477 4.052 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)c1 ZINC000006317010 564084564 /nfs/dbraw/zinc/08/45/64/564084564.db2.gz HRADNIAZZZYUEY-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM CCc1c(C)sc2[n-]c(=S)n(Cc3ccccc3OC)c(=O)c21 ZINC000006621400 564094546 /nfs/dbraw/zinc/09/45/46/564094546.db2.gz NKFHJQWWNJBXBX-UHFFFAOYSA-N -1 0 346.477 4.048 50 0 EIAARM CCC[C@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000002376318 564133909 /nfs/dbraw/zinc/13/39/09/564133909.db2.gz YCUHFIHBHFPYSH-CYBMUJFWSA-N -1 0 332.425 4.030 50 0 EIAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 ZINC000002469574 564149694 /nfs/dbraw/zinc/14/96/94/564149694.db2.gz KYOBVVVMSRWFIV-ZDUSSCGKSA-N -1 0 325.408 4.232 50 0 EIAARM O=C([O-])Cc1sc(Nc2ccc(F)cc2)nc1-c1cccs1 ZINC000003243334 564156494 /nfs/dbraw/zinc/15/64/94/564156494.db2.gz ZDEZJQADCAKSPF-UHFFFAOYSA-N -1 0 334.397 4.381 50 0 EIAARM Cc1nn(Cc2cccc3ccccc32)c(Cl)c1/C=C/C(=O)[O-] ZINC000006509245 564177628 /nfs/dbraw/zinc/17/76/28/564177628.db2.gz RYVDQLQIKIQIIX-MDZDMXLPSA-N -1 0 326.783 4.144 50 0 EIAARM CC(C)c1ccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262831469 1030245397 /nfs/dbraw/zinc/24/53/97/1030245397.db2.gz RAAZHNCOXCBPRR-UHFFFAOYSA-N -1 0 325.408 4.104 50 0 EIAARM O=C([O-])c1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000005899789 1035451734 /nfs/dbraw/zinc/45/17/34/1035451734.db2.gz LHPCPBWJBFHEEL-LJQANCHMSA-N -1 0 344.370 4.156 50 0 EIAARM CC(C)Oc1ccccc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000255518840 1037836920 /nfs/dbraw/zinc/83/69/20/1037836920.db2.gz KJUAIELMFLIWPM-KTKRTIGZSA-N -1 0 326.396 4.256 50 0 EIAARM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000004743421 210267684 /nfs/dbraw/zinc/26/76/84/210267684.db2.gz GCKPWUAZSXJRCC-LLVKDONJSA-N -1 0 344.219 4.001 50 0 EIAARM Cc1sc2ncnc(SCc3ccc(C(=O)[O-])cc3)c2c1C ZINC000004537172 210216807 /nfs/dbraw/zinc/21/68/07/210216807.db2.gz FTYUPUISGBEENW-UHFFFAOYSA-N -1 0 330.434 4.299 50 0 EIAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccccc1 ZINC000100756801 219105525 /nfs/dbraw/zinc/10/55/25/219105525.db2.gz DWBQJSBHIORAJO-UHFFFAOYSA-N -1 0 329.403 4.310 50 0 EIAARM C[C@H]1CCc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2C1 ZINC000004137814 210129980 /nfs/dbraw/zinc/12/99/80/210129980.db2.gz KWEXMWNVGDQOCC-QMMMGPOBSA-N -1 0 345.449 4.350 50 0 EIAARM COc1cccc2sc([N-]c3nnc(-c4ccc(F)cc4)o3)nc21 ZINC000004137645 210129746 /nfs/dbraw/zinc/12/97/46/210129746.db2.gz TUNSTYGNRZSNSX-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM Cc1cc(C)cc(C[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000003902927 210089099 /nfs/dbraw/zinc/08/90/99/210089099.db2.gz YPRCUPKLIUBNEQ-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000003884664 210084186 /nfs/dbraw/zinc/08/41/86/210084186.db2.gz SONSOTYJHQIJQV-RAXLEYEMSA-N -1 0 325.389 4.320 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cccs1 ZINC000044903365 213668398 /nfs/dbraw/zinc/66/83/98/213668398.db2.gz KKABXTJFQCYAQB-GFCCVEGCSA-N -1 0 338.388 4.361 50 0 EIAARM CC1=C(C)C[C@@H](C(=O)c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000002304899 209838228 /nfs/dbraw/zinc/83/82/28/209838228.db2.gz WKBLOZSJOWBALR-ZIAGYGMSSA-N -1 0 337.213 4.079 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1/C[C@@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000069347524 215381126 /nfs/dbraw/zinc/38/11/26/215381126.db2.gz VKBDKCLJSLBMPP-UXEDPAHQSA-N -1 0 347.418 4.396 50 0 EIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C ZINC000072414467 216205435 /nfs/dbraw/zinc/20/54/35/216205435.db2.gz UHDLKUAZQWBTCQ-UHFFFAOYSA-N -1 0 332.450 4.022 50 0 EIAARM O=C([O-])c1ccc2[nH]c(-c3c[nH]nc3-c3cc4ccccc4o3)nc2c1 ZINC000072473139 216250550 /nfs/dbraw/zinc/25/05/50/216250550.db2.gz ARTIRCRVNHSQMZ-UHFFFAOYSA-N -1 0 344.330 4.064 50 0 EIAARM Cc1ccc(-c2nn(-c3ccc(Br)cc3)cc2[O-])cc1 ZINC000215849968 241151480 /nfs/dbraw/zinc/15/14/80/241151480.db2.gz DQDPDQUYIGQMPG-UHFFFAOYSA-N -1 0 329.197 4.316 50 0 EIAARM O=C([O-])[C@H](NCc1ccco1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000020739145 212167918 /nfs/dbraw/zinc/16/79/18/212167918.db2.gz QFOPLAWJPQIGOL-HXUWFJFHSA-N -1 0 346.386 4.343 50 0 EIAARM CCc1cc(C(F)(F)F)c2c(C)nn(-c3ccc(C(=O)[O-])cc3)c2n1 ZINC000020615510 212155736 /nfs/dbraw/zinc/15/57/36/212155736.db2.gz SMJKLOWVGBPTGX-UHFFFAOYSA-N -1 0 349.312 4.008 50 0 EIAARM COc1ccc(-c2c[n-]n3c2nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000253523933 244006721 /nfs/dbraw/zinc/00/67/21/244006721.db2.gz BWTHDCIONDSPAC-UHFFFAOYSA-N -1 0 345.402 4.010 50 0 EIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c12 ZINC000020349782 212121191 /nfs/dbraw/zinc/12/11/91/212121191.db2.gz ILHLPAXDUPHCQK-UHFFFAOYSA-N -1 0 345.349 4.046 50 0 EIAARM Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2Nc1ccc(O)cc1 ZINC000019794109 212069277 /nfs/dbraw/zinc/06/92/77/212069277.db2.gz QSXDWNXHVGDTLT-UHFFFAOYSA-N -1 0 328.755 4.344 50 0 EIAARM O=C([O-])CSc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000018195150 211989301 /nfs/dbraw/zinc/98/93/01/211989301.db2.gz CSOUYWYVTLNKSN-UHFFFAOYSA-N -1 0 337.400 4.269 50 0 EIAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)Nc1cccnc1Cl ZINC000095943947 218455701 /nfs/dbraw/zinc/45/57/01/218455701.db2.gz BHSDVTPMJIVICV-UHFFFAOYSA-N -1 0 332.574 4.391 50 0 EIAARM O=C([O-])CS/C(=C/c1ccc(O)cc1)c1nc2ccccc2s1 ZINC000096891471 218896278 /nfs/dbraw/zinc/89/62/78/218896278.db2.gz LUGKIQWYELXYNV-OQLLNIDSSA-N -1 0 343.429 4.318 50 0 EIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)o1 ZINC000065003855 258062447 /nfs/dbraw/zinc/06/24/47/258062447.db2.gz PXHNPZTWMWRAKR-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)[O-])ccc4[C@H]3CC[C@]12C ZINC000261494740 534779850 /nfs/dbraw/zinc/77/98/50/534779850.db2.gz BQUPETXJTSLVRT-FKAKKMJLSA-N -1 0 342.435 4.173 50 0 EIAARM CC1(C)Cc2ccccc2C(CSc2ccccc2C(=O)[O-])=N1 ZINC000000104133 563226960 /nfs/dbraw/zinc/22/69/60/563226960.db2.gz FHOXRVCLHWCBCV-UHFFFAOYSA-N -1 0 325.433 4.301 50 0 EIAARM CSc1cccc(-n2c(CCc3ccc(O)cc3)n[n-]c2=S)c1 ZINC000000150164 563246008 /nfs/dbraw/zinc/24/60/08/563246008.db2.gz WFSOIHYEZBJSRL-UHFFFAOYSA-N -1 0 343.477 4.143 50 0 EIAARM O=C([O-])c1cc2ccccc2cc1OC(=O)c1cccc(Cl)c1 ZINC000000164901 563249184 /nfs/dbraw/zinc/24/91/84/563249184.db2.gz ADUPKHUJDTXYHE-UHFFFAOYSA-N -1 0 326.735 4.411 50 0 EIAARM O=C([O-])CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000259884 563268058 /nfs/dbraw/zinc/26/80/58/563268058.db2.gz WEWWRLNNZRBQTR-UHFFFAOYSA-N -1 0 340.404 4.157 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1C ZINC000000310527 563280590 /nfs/dbraw/zinc/28/05/90/563280590.db2.gz LFIZPKVCNRWBDM-UHFFFAOYSA-N -1 0 333.453 4.318 50 0 EIAARM Cc1cccc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000000312677 563281667 /nfs/dbraw/zinc/28/16/67/563281667.db2.gz JLZBOCIMTSZANA-UHFFFAOYSA-N -1 0 326.179 4.025 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000467029 563328766 /nfs/dbraw/zinc/32/87/66/563328766.db2.gz JGJOCGGZCJCKRX-UHFFFAOYSA-N -1 0 333.343 4.429 50 0 EIAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(Cl)c1Cl ZINC000000470843 563331353 /nfs/dbraw/zinc/33/13/53/563331353.db2.gz JIRNDIIFDXGQMP-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=C([O-])CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000006741703 563584358 /nfs/dbraw/zinc/58/43/58/563584358.db2.gz CBWMJWGSUPREGW-UHFFFAOYSA-N -1 0 335.812 4.295 50 0 EIAARM CCCCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)[O-] ZINC000008578296 563633016 /nfs/dbraw/zinc/63/30/16/563633016.db2.gz RPDHNUUAKBIXNV-UHFFFAOYSA-N -1 0 333.453 4.461 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCCCC3)n2)c1[O-] ZINC000013127737 563689923 /nfs/dbraw/zinc/68/99/23/563689923.db2.gz YISDUNRGVWSYLP-UHFFFAOYSA-N -1 0 335.407 4.001 50 0 EIAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000017072597 563836427 /nfs/dbraw/zinc/83/64/27/563836427.db2.gz NTCWGWCJGDFRML-CYBMUJFWSA-N -1 0 349.452 4.018 50 0 EIAARM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc([O-])c(Cl)c1 ZINC000024208735 563869648 /nfs/dbraw/zinc/86/96/48/563869648.db2.gz JZSGBCGUDUBUBM-CYBMUJFWSA-N -1 0 337.803 4.152 50 0 EIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccc(F)c(Cl)c1 ZINC000025762599 563888044 /nfs/dbraw/zinc/88/80/44/563888044.db2.gz NGROGPYVHHADEP-UHFFFAOYSA-N -1 0 334.709 4.169 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000045951722 563929508 /nfs/dbraw/zinc/92/95/08/563929508.db2.gz OVQQRBIJPQXUHW-SFHVURJKSA-N -1 0 335.403 4.218 50 0 EIAARM COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[C@H]1C(=O)[O-] ZINC000071770516 563965613 /nfs/dbraw/zinc/96/56/13/563965613.db2.gz BDDGXPYZRHXXQH-MRXNPFEDSA-N -1 0 335.403 4.203 50 0 EIAARM Cc1c(=O)[nH]c(SCc2nccn2C(C)C)nc1-c1ccccc1 ZINC000097141231 563968293 /nfs/dbraw/zinc/96/82/93/563968293.db2.gz AFPWBLFBQZDBRX-UHFFFAOYSA-N -1 0 340.452 4.227 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@@H](CCCc2ccccc2)[C@H]1C(=O)[O-] ZINC000072233785 563986082 /nfs/dbraw/zinc/98/60/82/563986082.db2.gz MCODWISZPDFBOP-SJORKVTESA-N -1 0 347.455 4.110 50 0 EIAARM CCc1cc2nc(-c3ccc(-c4ccccc4Cl)o3)cc(=O)n2[n-]1 ZINC000023542844 563987471 /nfs/dbraw/zinc/98/74/71/563987471.db2.gz SLUAVUPADXLEPV-UHFFFAOYSA-N -1 0 339.782 4.165 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@H](CCCc2ccccc2)[C@H]1C(=O)[O-] ZINC000221038807 563989648 /nfs/dbraw/zinc/98/96/48/563989648.db2.gz MCODWISZPDFBOP-IRXDYDNUSA-N -1 0 347.455 4.110 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000000316452 563991021 /nfs/dbraw/zinc/99/10/21/563991021.db2.gz APCNZIHYKUFRNY-HZPDHXFCSA-N -1 0 335.359 4.192 50 0 EIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccco1 ZINC000061719007 564000406 /nfs/dbraw/zinc/00/04/06/564000406.db2.gz MFLINBFISKNCJW-NSHDSACASA-N -1 0 339.372 4.180 50 0 EIAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000005602489 564006315 /nfs/dbraw/zinc/00/63/15/564006315.db2.gz OIEXPNBZCUUJIR-UHFFFAOYSA-N -1 0 343.807 4.069 50 0 EIAARM Cc1cc(C(=O)N=c2[n-]nc(C(C)C)s2)sc1-c1ccccc1 ZINC000526052416 564007199 /nfs/dbraw/zinc/00/71/99/564007199.db2.gz LZONTSCZINSBAG-UHFFFAOYSA-N -1 0 343.477 4.373 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000045923042 564028893 /nfs/dbraw/zinc/02/88/93/564028893.db2.gz MVWDOWWQLGTDQC-SJORKVTESA-N -1 0 343.810 4.114 50 0 EIAARM CCOc1cccc2cc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)oc21 ZINC000096248562 564049733 /nfs/dbraw/zinc/04/97/33/564049733.db2.gz USMZLHBQXJPZMX-FLIBITNWSA-N -1 0 336.343 4.426 50 0 EIAARM CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000040449488 564084912 /nfs/dbraw/zinc/08/49/12/564084912.db2.gz AKRCDCFVEFQHFY-UHFFFAOYSA-N -1 0 327.380 4.077 50 0 EIAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000006343444 564085147 /nfs/dbraw/zinc/08/51/47/564085147.db2.gz CAHVHGACQVRTMO-NSHDSACASA-N -1 0 325.380 4.279 50 0 EIAARM O=C(c1ccccc1)c1ccc(NC=C2SC(=S)NC2=O)cc1 ZINC000016477004 564087848 /nfs/dbraw/zinc/08/78/48/564087848.db2.gz QLNOLXORADBDRZ-GXDHUFHOSA-N -1 0 340.429 4.159 50 0 EIAARM COc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000016650083 564091420 /nfs/dbraw/zinc/09/14/20/564091420.db2.gz OCCRAOGGTJCSKO-IPELMVKDSA-N -1 0 339.391 4.028 50 0 EIAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1O ZINC000006529662 564091462 /nfs/dbraw/zinc/09/14/62/564091462.db2.gz BCHPEZOKXDFGRK-VQHVLOKHSA-N -1 0 335.359 4.208 50 0 EIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820465 564096582 /nfs/dbraw/zinc/09/65/82/564096582.db2.gz FSAFWYNTJXULFA-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1-c1ccno1 ZINC000064845070 564096868 /nfs/dbraw/zinc/09/68/68/564096868.db2.gz YYDGHGVBISAEFL-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)on1 ZINC000006887767 564100731 /nfs/dbraw/zinc/10/07/31/564100731.db2.gz DPYVNIOTWPMXPJ-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1 ZINC000007057297 564103970 /nfs/dbraw/zinc/10/39/70/564103970.db2.gz NHADPNJLVYWXHQ-CYBMUJFWSA-N -1 0 349.452 4.018 50 0 EIAARM Cc1nc2cc(NC(=O)[C@@](C)(CC(=O)[O-])C3CCCCC3)ccc2o1 ZINC000169975500 564104110 /nfs/dbraw/zinc/10/41/10/564104110.db2.gz GHDTUEZZVHRHCY-IBGZPJMESA-N -1 0 344.411 4.136 50 0 EIAARM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000089610689 564112722 /nfs/dbraw/zinc/11/27/22/564112722.db2.gz QAAJVTMMTKVWQT-CQSZACIVSA-N -1 0 333.815 4.391 50 0 EIAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000007709452 564122151 /nfs/dbraw/zinc/12/21/51/564122151.db2.gz NXRBGUFQZKPFHU-UHFFFAOYSA-N -1 0 326.421 4.159 50 0 EIAARM O=C([O-])c1cccnc1SCc1csc(-c2ccccc2)n1 ZINC000003235889 564156420 /nfs/dbraw/zinc/15/64/20/564156420.db2.gz ACUKUTWVVAUKQT-UHFFFAOYSA-N -1 0 328.418 4.196 50 0 EIAARM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008735798 564167145 /nfs/dbraw/zinc/16/71/45/564167145.db2.gz RKBHKCZCGQVVDJ-KGLIPLIRSA-N -1 0 335.831 4.070 50 0 EIAARM C[C@H](C(=O)[O-])N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000186089 1020132620 /nfs/dbraw/zinc/13/26/20/1020132620.db2.gz WZZRJCUYSKKFHO-SNVBAGLBSA-N -1 0 338.190 4.113 50 0 EIAARM CC(C)Oc1ccccc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000170631377 1036727126 /nfs/dbraw/zinc/72/71/26/1036727126.db2.gz KJUAIELMFLIWPM-MDZDMXLPSA-N -1 0 326.396 4.256 50 0 EIAARM COc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1OC ZINC000058342844 214554121 /nfs/dbraw/zinc/55/41/21/214554121.db2.gz WKOBRNUXFIDBTL-UHFFFAOYSA-N -1 0 341.388 4.193 50 0 EIAARM CC(C)N(C[C@H](C(=O)[O-])c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000098213663 219088068 /nfs/dbraw/zinc/08/80/68/219088068.db2.gz GQWRBNJRKSPGTF-AWEZNQCLSA-N -1 0 341.835 4.154 50 0 EIAARM COc1ccc(-c2nnc([N-]c3nc4ccc(F)cc4s3)o2)cc1 ZINC000004137794 210129800 /nfs/dbraw/zinc/12/98/00/210129800.db2.gz NUBIJBKIQIWHFX-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM CCCCCc1c(C)c2ccc(O[C@H](CC)C(=O)[O-])cc2oc1=O ZINC000004109585 210121832 /nfs/dbraw/zinc/12/18/32/210121832.db2.gz ANOQLUYMPCZOPM-MRXNPFEDSA-N -1 0 332.396 4.076 50 0 EIAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000004046789 210108095 /nfs/dbraw/zinc/10/80/95/210108095.db2.gz LTNQBFQMHGWUED-UHFFFAOYSA-N -1 0 340.375 4.052 50 0 biogenic EIAARM CC(C)CCCCCCOc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000004024672 210102158 /nfs/dbraw/zinc/10/21/58/210102158.db2.gz ZCGJBJLIAOLTAB-QGZVFWFLSA-N -1 0 349.471 4.106 50 0 biogenic EIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cccc(F)c1 ZINC000003403651 210030360 /nfs/dbraw/zinc/03/03/60/210030360.db2.gz DLMVROIMTGRMOI-UHFFFAOYSA-N -1 0 327.380 4.294 50 0 EIAARM O=C([O-])C[C@@H](NC(=O)CCC1CCCCC1)c1ccccc1Cl ZINC000003399348 210028946 /nfs/dbraw/zinc/02/89/46/210028946.db2.gz WSFFMRPPFDIXIY-MRXNPFEDSA-N -1 0 337.847 4.333 50 0 EIAARM Cc1cccc(C[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)[O-])c1 ZINC000035141764 213008898 /nfs/dbraw/zinc/00/88/98/213008898.db2.gz DDKGFWOFCUDATO-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM Cc1cccc(C[C@@H](CC(=O)[O-])C(=O)Nc2cccc(Cl)c2C)c1 ZINC000000049601 209390087 /nfs/dbraw/zinc/39/00/87/209390087.db2.gz SUOYQYMDKFKTDK-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000216769973 241210160 /nfs/dbraw/zinc/21/01/60/241210160.db2.gz DRSCJNKNMHGMOI-ZZXKWVIFSA-N -1 0 327.561 4.460 50 0 EIAARM O=c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)[n-]c2ccsc21 ZINC000253535066 244007706 /nfs/dbraw/zinc/00/77/06/244007706.db2.gz CIRSXJYEJGVAJR-SNVBAGLBSA-N -1 0 328.290 4.475 50 0 EIAARM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](CC(=O)[O-])CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000253617098 244039630 /nfs/dbraw/zinc/03/96/30/244039630.db2.gz DGNCIMCPMIGWCU-QSYBLCTMSA-N -1 0 334.500 4.481 50 0 EIAARM COc1ccc(Nc2ncnc3sc(C(=O)[O-])c(C)c32)cc1Cl ZINC000020328308 212119726 /nfs/dbraw/zinc/11/97/26/212119726.db2.gz UWVHFEOCRJQSLP-UHFFFAOYSA-N -1 0 349.799 4.104 50 0 EIAARM CC(C)c1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000012397976 211368329 /nfs/dbraw/zinc/36/83/29/211368329.db2.gz UQVQXFVZYOEUBW-UHFFFAOYSA-N -1 0 339.370 4.259 50 0 EIAARM CC(C)CCOc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000009783942 211123704 /nfs/dbraw/zinc/12/37/04/211123704.db2.gz LJJAXZWYBHQZBY-UHFFFAOYSA-N -1 0 327.380 4.062 50 0 EIAARM O=c1[n-]c(=S)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000009445590 211083852 /nfs/dbraw/zinc/08/38/52/211083852.db2.gz ULNNRTAGGHESOC-UHFFFAOYSA-N -1 0 347.399 4.217 50 0 EIAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1O ZINC000005063530 210380108 /nfs/dbraw/zinc/38/01/08/210380108.db2.gz UJFUHPPYGMCREV-UHFFFAOYSA-N -1 0 330.340 4.097 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004844822 210297173 /nfs/dbraw/zinc/29/71/73/210297173.db2.gz FODAYZOULDVYKJ-VHSXEESVSA-N -1 0 348.613 4.165 50 0 EIAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1F ZINC000096765779 527621223 /nfs/dbraw/zinc/62/12/23/527621223.db2.gz AUUVPANGEYYLIL-CLTKARDFSA-N -1 0 334.343 4.038 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccccc1Br ZINC000013745448 564111981 /nfs/dbraw/zinc/11/19/81/564111981.db2.gz IHALCHYOZOBJKZ-UHFFFAOYSA-N -1 0 349.184 4.100 50 0 EIAARM Cc1ccc2cc(NC(=O)C[C@H](CC(=O)[O-])c3ccccc3)ccc2n1 ZINC000000152799 563246690 /nfs/dbraw/zinc/24/66/90/563246690.db2.gz WGTQIQRGBMTRIH-QGZVFWFLSA-N -1 0 348.402 4.130 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 ZINC000000170191 563250935 /nfs/dbraw/zinc/25/09/35/563250935.db2.gz YRDLEJGMSHDJOR-UHFFFAOYSA-N -1 0 341.763 4.221 50 0 EIAARM CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000367873 563296752 /nfs/dbraw/zinc/29/67/52/563296752.db2.gz XQJRBTUDZBLIFE-UHFFFAOYSA-N -1 0 341.407 4.090 50 0 EIAARM O=C([O-])C1CCN(c2nc(-c3cccc4ccccc43)cs2)CC1 ZINC000001058427 563371535 /nfs/dbraw/zinc/37/15/35/563371535.db2.gz FFOAIRAKFXHEIM-UHFFFAOYSA-N -1 0 338.432 4.264 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCC[C@H](C)C3)n2)c1[O-] ZINC000002225776 563427405 /nfs/dbraw/zinc/42/74/05/563427405.db2.gz QZGLKAPEKDFRMX-AWEZNQCLSA-N -1 0 349.434 4.247 50 0 EIAARM CC1(C)S[C@H](c2cccc(Oc3ccccc3)c2)N[C@H]1C(=O)[O-] ZINC000002571056 563442492 /nfs/dbraw/zinc/44/24/92/563442492.db2.gz BBJUNDLJULMHLT-JKSUJKDBSA-N -1 0 329.421 4.046 50 0 EIAARM O=C([O-])/C=C/c1cnc(/C=C\c2cccc(Br)c2)s1 ZINC000096035417 563650390 /nfs/dbraw/zinc/65/03/90/563650390.db2.gz MOVPUKNRCQOHNI-XGXWUAJZSA-N -1 0 336.210 4.174 50 0 EIAARM Cc1ccc(CN[C@@H](c2ccc3ccccc3c2)[P@@](=O)([O-])O)cc1 ZINC000013004729 563685337 /nfs/dbraw/zinc/68/53/37/563685337.db2.gz VEPCSRHGYDLCKV-LJQANCHMSA-N -1 0 341.347 4.114 50 0 EIAARM CCCCOc1cc(Br)c(/C=C/C(=O)[O-])cc1OCC ZINC000013747614 563720759 /nfs/dbraw/zinc/72/07/59/563720759.db2.gz QBGQVAGGIUFQPS-VOTSOKGWSA-N -1 0 343.217 4.125 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000016101278 563803640 /nfs/dbraw/zinc/80/36/40/563803640.db2.gz MJSNKYZKSNCGBI-UHFFFAOYSA-N -1 0 349.761 4.468 50 0 EIAARM O=c1[n-]c(SCc2ccc(Cl)cc2)nnc1Cc1ccccc1 ZINC000016777159 563822913 /nfs/dbraw/zinc/82/29/13/563822913.db2.gz PUNASDPUXPIFDE-UHFFFAOYSA-N -1 0 343.839 4.114 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1c[nH]c2ccccc21 ZINC000000110179 563986636 /nfs/dbraw/zinc/98/66/36/563986636.db2.gz QKRSVVUEVGLGGY-AWEZNQCLSA-N -1 0 327.767 4.263 50 0 EIAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000000425322 563998947 /nfs/dbraw/zinc/99/89/47/563998947.db2.gz MAXZXHDQTCDIJW-UHFFFAOYSA-N -1 0 337.231 4.414 50 0 EIAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000000425274 563998967 /nfs/dbraw/zinc/99/89/67/563998967.db2.gz MKWDMEAKWLDZQR-UHFFFAOYSA-N -1 0 337.231 4.414 50 0 EIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](C(C)C)CC(=O)N3)cc1 ZINC000061718887 564000409 /nfs/dbraw/zinc/00/04/09/564000409.db2.gz FSLCBZHHGYAZPA-GFCCVEGCSA-N -1 0 345.420 4.204 50 0 EIAARM Cc1cc(-c2ccccc2)nc(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000005256977 564001548 /nfs/dbraw/zinc/00/15/48/564001548.db2.gz UFEIWPLHGOHKFM-KRWDZBQOSA-N -1 0 336.416 4.370 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013253632 564019650 /nfs/dbraw/zinc/01/96/50/564019650.db2.gz IOKMYVLRPTUSGT-YUMQZZPRSA-N -1 0 348.613 4.252 50 0 EIAARM O=c1oc2ccccc2c([O-])c1SC(F)(F)[C@H](F)C(F)(F)F ZINC000005731629 564024624 /nfs/dbraw/zinc/02/46/24/564024624.db2.gz CYVJSJILZQKBIU-SNVBAGLBSA-N -1 0 344.232 4.084 50 0 EIAARM CCCCN(CC)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053483 564029376 /nfs/dbraw/zinc/02/93/76/564029376.db2.gz NSTYGKJJPRWGRP-UHFFFAOYSA-N -1 0 340.423 4.264 50 0 EIAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000005885533 564056829 /nfs/dbraw/zinc/05/68/29/564056829.db2.gz VNAONBQLMDHGDP-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000002504149 564073570 /nfs/dbraw/zinc/07/35/70/564073570.db2.gz UKVFTXVEVBQQOE-UHFFFAOYSA-N -1 0 339.482 4.345 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809278 564077240 /nfs/dbraw/zinc/07/72/40/564077240.db2.gz LHTCFBFWOUATLQ-UHFFFAOYSA-N -1 0 345.811 4.212 50 0 EIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1-c1ccno1 ZINC000064845259 564096879 /nfs/dbraw/zinc/09/68/79/564096879.db2.gz GKFXLNPWDDKGGY-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000006887773 564100709 /nfs/dbraw/zinc/10/07/09/564100709.db2.gz ISMVZVLKQRRTBO-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM O=C([O-])c1sc2ccc(Br)cc2c1C(F)(F)F ZINC000090549859 564120105 /nfs/dbraw/zinc/12/01/05/564120105.db2.gz SGKJYBHVYICJTJ-UHFFFAOYSA-N -1 0 325.105 4.381 50 0 EIAARM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)o1 ZINC000170651475 564120469 /nfs/dbraw/zinc/12/04/69/564120469.db2.gz PUDSOADDYNRFPC-IINYFYTJSA-N -1 0 347.361 4.192 50 0 EIAARM O=C([O-])c1cnc(/C=C\c2ccc(OCc3cscn3)cc2)s1 ZINC000096402114 564147100 /nfs/dbraw/zinc/14/71/00/564147100.db2.gz XECBMQFFPLPTQY-UTCJRWHESA-N -1 0 344.417 4.047 50 0 EIAARM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581905 564164948 /nfs/dbraw/zinc/16/49/48/564164948.db2.gz XUHWDNIXGOQNIN-FZKQIMNGSA-N -1 0 345.826 4.000 50 0 EIAARM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008735802 564167138 /nfs/dbraw/zinc/16/71/38/564167138.db2.gz RKBHKCZCGQVVDJ-ZIAGYGMSSA-N -1 0 335.831 4.070 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccccc4)c(C)c3n2)cc1 ZINC000106299886 1025622605 /nfs/dbraw/zinc/62/26/05/1025622605.db2.gz LLKXGKSITMBVHT-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM Cc1nc2sccn2c1/C=C\c1cc(C(=O)[O-])c2cc(C)ccc2n1 ZINC000096891411 1039712600 /nfs/dbraw/zinc/71/26/00/1039712600.db2.gz YEGGQTZROFNEKF-XQRVVYSFSA-N -1 0 349.415 4.429 50 0 EIAARM CC(C)(C)C1CCC(CC(=O)[O-])(N2Cc3ccccc3C2=O)CC1 ZINC000950756013 1049662811 /nfs/dbraw/zinc/66/28/11/1049662811.db2.gz ALQBLXZNJYFJDD-UHFFFAOYSA-N -1 0 329.440 4.092 50 0 EIAARM O=C([O-])c1ccccc1Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000055104253 214272820 /nfs/dbraw/zinc/27/28/20/214272820.db2.gz BZADWVUDTXHOJI-UHFFFAOYSA-N -1 0 346.386 4.058 50 0 EIAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000004592070 210229391 /nfs/dbraw/zinc/22/93/91/210229391.db2.gz YCFPMUGWEZOBGH-BLLLJJGKSA-N -1 0 331.799 4.173 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000004593158 210229393 /nfs/dbraw/zinc/22/93/93/210229393.db2.gz DKFMYTUWVPWBLF-CYBMUJFWSA-N -1 0 338.190 4.132 50 0 EIAARM CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)[O-] ZINC000004543698 210219517 /nfs/dbraw/zinc/21/95/17/210219517.db2.gz VNYSSYRCGWBHLG-KQQZWENBSA-N -1 0 336.472 4.158 50 0 EIAARM CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)[O-] ZINC000004543697 210219240 /nfs/dbraw/zinc/21/92/40/210219240.db2.gz VNYSSYRCGWBHLG-WERGIWLVSA-N -1 0 336.472 4.158 50 0 EIAARM Cc1cc2sc([N-]S(=O)(=O)/C=C/c3ccccc3)nc2c(C)c1 ZINC000004529284 210214744 /nfs/dbraw/zinc/21/47/44/210214744.db2.gz WAXVBIVKIMADOH-CMDGGOBGSA-N -1 0 344.461 4.326 50 0 EIAARM CC1(C)CC(=O)C(C(=S)Nc2cccc(C(F)(F)F)c2)=C([O-])C1 ZINC000100684085 219104155 /nfs/dbraw/zinc/10/41/55/219104155.db2.gz LMZKMXXVZLXKOW-UHFFFAOYSA-N -1 0 343.370 4.019 50 0 EIAARM O=c1c2c(-c3cccs3)csc2[n-]c(=S)n1Cc1ccco1 ZINC000003887598 210085270 /nfs/dbraw/zinc/08/52/70/210085270.db2.gz VLQMXRCYEQTCRO-UHFFFAOYSA-N -1 0 346.458 4.117 50 0 EIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc3c(c1)OCO3)CC2 ZINC000003885038 210083934 /nfs/dbraw/zinc/08/39/34/210083934.db2.gz FQUAQJOMDCUQHG-UKTHLTGXSA-N -1 0 345.354 4.149 50 0 EIAARM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000003628940 210068620 /nfs/dbraw/zinc/06/86/20/210068620.db2.gz VCSLAJAFVDYRDD-DLBZAZTESA-N -1 0 345.826 4.166 50 0 EIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1 ZINC000003355966 210016249 /nfs/dbraw/zinc/01/62/49/210016249.db2.gz FIFNKYABEMUIAF-RMKNXTFCSA-N -1 0 330.796 4.352 50 0 EIAARM Cc1ccc(C(=O)CCCCCCC(=O)[O-])cc1Br ZINC000002518013 209862600 /nfs/dbraw/zinc/86/26/00/209862600.db2.gz RWXOREFLKCAEEY-UHFFFAOYSA-N -1 0 327.218 4.365 50 0 EIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000068741212 215330139 /nfs/dbraw/zinc/33/01/39/215330139.db2.gz RJWYQBSZGNHSPC-UHFFFAOYSA-N -1 0 347.770 4.087 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000467693 209620066 /nfs/dbraw/zinc/62/00/66/209620066.db2.gz OFONRPXSRGADHE-UHFFFAOYSA-N -1 0 341.407 4.008 50 0 EIAARM O=C([O-])CCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000036108768 213068664 /nfs/dbraw/zinc/06/86/64/213068664.db2.gz LJBWRIWNTJQHLZ-UHFFFAOYSA-N -1 0 334.397 4.064 50 0 EIAARM CCOc1cc(C(=O)[O-])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000034927121 213001223 /nfs/dbraw/zinc/00/12/23/213001223.db2.gz RUNPSBFTTFYTKX-UHFFFAOYSA-N -1 0 340.297 4.381 50 0 EIAARM CC(C)c1nc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2s1 ZINC000071834544 215865960 /nfs/dbraw/zinc/86/59/60/215865960.db2.gz OKESRGYXHJEDSO-UHFFFAOYSA-N -1 0 334.441 4.249 50 0 EIAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(Cl)cc21 ZINC000000209303 209485361 /nfs/dbraw/zinc/48/53/61/209485361.db2.gz PYHHWEGRVRNGQT-RFAUZJTJSA-N -1 0 327.767 4.247 50 0 EIAARM [O-]c1cn(-c2ccc(Br)cc2)nc1-c1ccc(F)cc1 ZINC000215850850 241149390 /nfs/dbraw/zinc/14/93/90/241149390.db2.gz OMDUTAARRVPMSP-UHFFFAOYSA-N -1 0 333.160 4.147 50 0 EIAARM O=C([O-])C/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2o1 ZINC000021759666 212247316 /nfs/dbraw/zinc/24/73/16/212247316.db2.gz ONNLBKXOEJACCE-XFXZXTDPSA-N -1 0 345.301 4.445 50 0 EIAARM CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000021206587 212216118 /nfs/dbraw/zinc/21/61/18/212216118.db2.gz LKFFPCKDONFZHB-UHFFFAOYSA-N -1 0 346.814 4.283 50 0 EIAARM COc1cc2ccccc2cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012992814 211503397 /nfs/dbraw/zinc/50/33/97/211503397.db2.gz BENVJMVQNDEYKB-DHZHZOJOSA-N -1 0 347.370 4.199 50 0 EIAARM Cc1nn(Cc2ccccc2Cl)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012394559 211368123 /nfs/dbraw/zinc/36/81/23/211368123.db2.gz WKZGJAAFAZDAAK-UHFFFAOYSA-N -1 0 341.798 4.017 50 0 EIAARM COc1ccc(Oc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)cc1 ZINC000011952416 211274817 /nfs/dbraw/zinc/27/48/17/211274817.db2.gz JPRJNZDLACTVRR-UHFFFAOYSA-N -1 0 341.388 4.238 50 0 EIAARM O=C([O-])/C=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000011949706 211273647 /nfs/dbraw/zinc/27/36/47/211273647.db2.gz WXXQCNGAXBAMTE-VQHVLOKHSA-N -1 0 333.181 4.126 50 0 EIAARM O=C([O-])c1ccc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1 ZINC000096920076 218899154 /nfs/dbraw/zinc/89/91/54/218899154.db2.gz GDNAICYNBZEMBH-KPKJPENVSA-N -1 0 332.768 4.233 50 0 EIAARM COc1cccc(/C=C\c2nc3ccc(C)cc3cc2C(=O)[O-])c1OC ZINC000096930825 218901203 /nfs/dbraw/zinc/90/12/03/218901203.db2.gz IZAJAPQBFALGGF-NTMALXAHSA-N -1 0 349.386 4.429 50 0 EIAARM O=C([O-])c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCCC2 ZINC000000038139 208555148 /nfs/dbraw/zinc/55/51/48/208555148.db2.gz NQRZFNKDQYAGGG-UHFFFAOYSA-N -1 0 341.388 4.324 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004844824 210298006 /nfs/dbraw/zinc/29/80/06/210298006.db2.gz FODAYZOULDVYKJ-NXEZZACHSA-N -1 0 348.613 4.165 50 0 EIAARM CCc1c(C)nc2c(Br)cccc2c1SCC(=O)[O-] ZINC000004805317 210281699 /nfs/dbraw/zinc/28/16/99/210281699.db2.gz LBXQSISQLVHKRT-UHFFFAOYSA-N -1 0 340.242 4.045 50 0 EIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)o1 ZINC000065003843 258062314 /nfs/dbraw/zinc/06/23/14/258062314.db2.gz DOJYIGFUZNTGCD-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)cc1 ZINC000102802378 258069732 /nfs/dbraw/zinc/06/97/32/258069732.db2.gz XZFVODUQIBULSZ-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM Cc1ccc(-c2ccncc2)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000169974918 534190453 /nfs/dbraw/zinc/19/04/53/534190453.db2.gz NROLCOMMMPQJAG-UHFFFAOYSA-N -1 0 338.407 4.031 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1C ZINC000000074696 563216514 /nfs/dbraw/zinc/21/65/14/563216514.db2.gz SLVHCDMUZNIWFS-UHFFFAOYSA-N -1 0 329.343 4.123 50 0 EIAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)[O-] ZINC000002650206 563445169 /nfs/dbraw/zinc/44/51/69/563445169.db2.gz SMZNZWYZBWBWLZ-SNAWJCMRSA-N -1 0 345.613 4.298 50 0 EIAARM C[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000002550728 563440929 /nfs/dbraw/zinc/44/09/29/563440929.db2.gz KKHPGCJBGAERNW-NSHDSACASA-N -1 0 347.461 4.420 50 0 EIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000005235537 563523733 /nfs/dbraw/zinc/52/37/33/563523733.db2.gz IZOOUGOSLDMECH-UHFFFAOYSA-N -1 0 328.364 4.081 50 0 EIAARM Cc1csc(-c2c(=O)c3ccc([O-])c(C)c3oc2C(F)(F)F)n1 ZINC000005730835 563547623 /nfs/dbraw/zinc/54/76/23/563547623.db2.gz YLLMZPLRYVVBSC-UHFFFAOYSA-N -1 0 341.310 4.258 50 0 EIAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1Cc1ccco1 ZINC000006537824 563571651 /nfs/dbraw/zinc/57/16/51/563571651.db2.gz VVFPZZBDIPCYBA-UHFFFAOYSA-N -1 0 340.429 4.429 50 0 EIAARM O=C([O-])c1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000006721549 563582691 /nfs/dbraw/zinc/58/26/91/563582691.db2.gz CDKVZTVSOWIXSH-UHFFFAOYSA-N -1 0 330.181 4.150 50 0 EIAARM O=C([O-])c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000007603917 563607068 /nfs/dbraw/zinc/60/70/68/563607068.db2.gz JDRIFSXDZSYVIT-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM CSc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)[O-] ZINC000012983532 563681896 /nfs/dbraw/zinc/68/18/96/563681896.db2.gz CEMIGTYBAGKRDF-LLVKDONJSA-N -1 0 347.461 4.226 50 0 EIAARM O=C([O-])CCCCCNC(=O)/C=C/c1ccccc1-c1ccccc1 ZINC000003101456 563912288 /nfs/dbraw/zinc/91/22/88/563912288.db2.gz YMICAAKSZUWZSQ-CCEZHUSRSA-N -1 0 337.419 4.128 50 0 EIAARM O=C([O-])c1nn(-c2ccccc2)c(-c2ccccc2)c1Br ZINC000044242612 563926304 /nfs/dbraw/zinc/92/63/04/563926304.db2.gz ZNGRVVPIMHFYFT-UHFFFAOYSA-N -1 0 343.180 4.000 50 0 EIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000000034760 563967818 /nfs/dbraw/zinc/96/78/18/563967818.db2.gz YVZXXBUYNATFEK-NEPJUHHUSA-N -1 0 342.222 4.379 50 0 EIAARM O=C([O-])c1c(-c2cccc(Br)c2)coc1C(F)(F)F ZINC000725245209 563975910 /nfs/dbraw/zinc/97/59/10/563975910.db2.gz BIHLGLQPIDVZCQ-UHFFFAOYSA-N -1 0 335.075 4.426 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000393493 563996175 /nfs/dbraw/zinc/99/61/75/563996175.db2.gz ORHVEVGCWUVFNC-MSOLQXFVSA-N -1 0 335.488 4.371 50 0 EIAARM Cc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)[O-])cc1 ZINC000003149236 564004116 /nfs/dbraw/zinc/00/41/16/564004116.db2.gz BACUCHAMDGULTK-UHFFFAOYSA-N -1 0 327.361 4.267 50 0 EIAARM COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1OC ZINC000008320924 564006977 /nfs/dbraw/zinc/00/69/77/564006977.db2.gz LDUKKSFKYWMVII-VQHVLOKHSA-N -1 0 335.359 4.121 50 0 EIAARM O=C([O-])c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000000467098 564012701 /nfs/dbraw/zinc/01/27/01/564012701.db2.gz CGOKFXLGXPLHTI-UHFFFAOYSA-N -1 0 333.343 4.429 50 0 EIAARM C[C@@H]1CCc2sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c3c2C1 ZINC000000496325 564018061 /nfs/dbraw/zinc/01/80/61/564018061.db2.gz VXWLXALUCVCXRD-LLVKDONJSA-N -1 0 342.489 4.294 50 0 EIAARM O=C([O-])c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc21 ZINC000005937366 564057154 /nfs/dbraw/zinc/05/71/54/564057154.db2.gz NWEIHINIEXBTSD-UHFFFAOYSA-N -1 0 345.449 4.108 50 0 EIAARM O=C([O-])c1cccnc1SCCOc1c(Cl)cccc1Cl ZINC000012750871 564066982 /nfs/dbraw/zinc/06/69/82/564066982.db2.gz JNIFOEPJNMCDGM-UHFFFAOYSA-N -1 0 344.219 4.258 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2C)c(C(=O)[O-])c1 ZINC000064588824 564092540 /nfs/dbraw/zinc/09/25/40/564092540.db2.gz ORROYOWDAVPQJM-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM O=c1nn[n-]c2c1sc1nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000006742788 564096827 /nfs/dbraw/zinc/09/68/27/564096827.db2.gz SDZUQQFMUWXABX-UHFFFAOYSA-N -1 0 346.371 4.267 50 0 EIAARM CN(CCCC(=O)[O-])c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013139236 564103678 /nfs/dbraw/zinc/10/36/78/564103678.db2.gz FLSBHQJVJRJLRN-UHFFFAOYSA-N -1 0 342.355 4.311 50 0 EIAARM O=C([O-])Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000089813872 564113987 /nfs/dbraw/zinc/11/39/87/564113987.db2.gz USBQKFBJUWBACZ-UHFFFAOYSA-N -1 0 342.153 4.012 50 0 EIAARM CCn1c2ccccc2nc1-c1cc(C(=O)c2cc(F)ccc2[O-])c[nH]1 ZINC000007719365 564122228 /nfs/dbraw/zinc/12/22/28/564122228.db2.gz KEDCASAKVQJENY-UHFFFAOYSA-N -1 0 349.365 4.127 50 0 EIAARM Cn1c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc2ccccc21 ZINC000095981378 564143709 /nfs/dbraw/zinc/14/37/09/564143709.db2.gz DZKOBYMKYJNZHB-UHFFFAOYSA-N -1 0 335.190 4.443 50 0 EIAARM O=C([O-])c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000030781334 564157729 /nfs/dbraw/zinc/15/77/29/564157729.db2.gz UQRBGHZHWYCNEX-QGTPRVQTSA-N -1 0 327.355 4.158 50 0 EIAARM COc1cccc(-c2nc(-c3ccc(C)cc3)c(CC(=O)[O-])s2)c1 ZINC000003534328 564158828 /nfs/dbraw/zinc/15/88/28/564158828.db2.gz CAAIYMUKQZGARG-UHFFFAOYSA-N -1 0 339.416 4.421 50 0 EIAARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000101832919 568423352 /nfs/dbraw/zinc/42/33/52/568423352.db2.gz UFPMJQOFADETFW-RKVPGOIHSA-N -1 0 336.347 4.120 50 0 EIAARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2Br)cc1 ZINC000095418366 1025770066 /nfs/dbraw/zinc/77/00/66/1025770066.db2.gz NYLHFGXCLNYXET-FPYGCLRLSA-N -1 0 349.155 4.183 50 0 EIAARM CC(=O)Nc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000033530905 1047416252 /nfs/dbraw/zinc/41/62/52/1047416252.db2.gz RVMSZIPIOKOXOI-FLIBITNWSA-N -1 0 332.359 4.062 50 0 EIAARM O=C([O-])[C@@H]1C/C(=C\C=C\c2ccc(F)cc2F)C(=O)c2ccccc21 ZINC000390832823 1049516441 /nfs/dbraw/zinc/51/64/41/1049516441.db2.gz NBFGIBZPMNODRF-BCTJVLIOSA-N -1 0 340.325 4.359 50 0 EIAARM O=C([O-])c1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000013166219 1054799951 /nfs/dbraw/zinc/79/99/51/1054799951.db2.gz OIZABUHSAGQGSA-UHFFFAOYSA-N -1 0 347.370 4.107 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004602004 210230208 /nfs/dbraw/zinc/23/02/08/210230208.db2.gz FODKJRWMOYCYGI-UHFFFAOYSA-N -1 0 327.380 4.308 50 0 EIAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000004592074 210228897 /nfs/dbraw/zinc/22/88/97/210228897.db2.gz YCFPMUGWEZOBGH-LRDDRELGSA-N -1 0 331.799 4.173 50 0 EIAARM CCOC(=O)c1sc([N-]c2nc3c(cccc3F)s2)nc1C ZINC000004137675 210129320 /nfs/dbraw/zinc/12/93/20/210129320.db2.gz XUZBIBJAAXZBQM-UHFFFAOYSA-N -1 0 337.401 4.121 50 0 EIAARM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Cl)cc1Cl ZINC000004105198 210120817 /nfs/dbraw/zinc/12/08/17/210120817.db2.gz MFWDRSPGQCRPQM-UHFFFAOYSA-N -1 0 330.192 4.314 50 0 EIAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000004045840 210108091 /nfs/dbraw/zinc/10/80/91/210108091.db2.gz PCSLCDUQXLWXQG-UHFFFAOYSA-N -1 0 342.391 4.471 50 0 biogenic EIAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000003883070 210083634 /nfs/dbraw/zinc/08/36/34/210083634.db2.gz LSTHDERFUSCPKL-CQSZACIVSA-N -1 0 346.423 4.385 50 0 biogenic EIAARM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1cccs1 ZINC000003672232 210073114 /nfs/dbraw/zinc/07/31/14/210073114.db2.gz WCFZKEPYTJJKDL-UHFFFAOYSA-N -1 0 329.402 4.448 50 0 EIAARM Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)[O-] ZINC000043120334 213561425 /nfs/dbraw/zinc/56/14/25/213561425.db2.gz FATGTHLOZSXOBC-UHFFFAOYSA-N -1 0 348.377 4.312 50 0 investigational EIAARM O=C([O-])c1cnn2c1nc(-c1cccc3ccccc31)cc2C(F)F ZINC000002771058 209907776 /nfs/dbraw/zinc/90/77/76/209907776.db2.gz ZFHCCZQQITZBBQ-UHFFFAOYSA-N -1 0 339.301 4.185 50 0 EIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000002585840 209871833 /nfs/dbraw/zinc/87/18/33/209871833.db2.gz KGXWCCCBQSYUKL-SNVBAGLBSA-N -1 0 334.199 4.034 50 0 EIAARM O=C([O-])Cc1nc(-c2cccnc2)sc1-c1ccc(Cl)cc1 ZINC000002215019 209830037 /nfs/dbraw/zinc/83/00/37/209830037.db2.gz OSXJJHORNWFWKS-UHFFFAOYSA-N -1 0 330.796 4.153 50 0 EIAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000040059898 213256507 /nfs/dbraw/zinc/25/65/07/213256507.db2.gz PZWKDLMXLBANII-VIFPVBQESA-N -1 0 341.741 4.138 50 0 EIAARM CC(C)Oc1ccc(COc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000000395684 209567012 /nfs/dbraw/zinc/56/70/12/209567012.db2.gz KCKNOHLGRVUISD-UHFFFAOYSA-N -1 0 334.799 4.333 50 0 EIAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)cc(Cl)c1OC ZINC000000360208 209551515 /nfs/dbraw/zinc/55/15/15/209551515.db2.gz YZNUUNXKCUJSHX-UHFFFAOYSA-N -1 0 335.787 4.058 50 0 EIAARM O=C([O-])c1ccc(Oc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000000127945 209439586 /nfs/dbraw/zinc/43/95/86/209439586.db2.gz SLKKGDVEEULMJB-UHFFFAOYSA-N -1 0 326.377 4.061 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000072370 209402122 /nfs/dbraw/zinc/40/21/22/209402122.db2.gz JNCSQROSIMRUQO-ZWKOTPCHSA-N -1 0 339.391 4.308 50 0 EIAARM O=C([O-])[C@@H](NCc1ccco1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000020739142 212168775 /nfs/dbraw/zinc/16/87/75/212168775.db2.gz QFOPLAWJPQIGOL-FQEVSTJZSA-N -1 0 346.386 4.343 50 0 EIAARM O=c1nc(-c2ccncn2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000253535203 244010691 /nfs/dbraw/zinc/01/06/91/244010691.db2.gz YTSPMKJDWXFVCL-UHFFFAOYSA-N -1 0 340.795 4.174 50 0 EIAARM COc1ccccc1Nc1c(C(=O)[O-])cnc2c(C)c(Cl)ccc21 ZINC000019793885 212069097 /nfs/dbraw/zinc/06/90/97/212069097.db2.gz YRPBMVTYPQTRDJ-UHFFFAOYSA-N -1 0 342.782 4.069 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000012397080 211368245 /nfs/dbraw/zinc/36/82/45/211368245.db2.gz HYKIYIOACGCPHB-UHFFFAOYSA-N -1 0 334.306 4.394 50 0 EIAARM COc1cccc(C(=O)[O-])c1OCc1c(Cl)cccc1Cl ZINC000011828300 211254004 /nfs/dbraw/zinc/25/40/04/211254004.db2.gz QVXBLRFCUQDIKU-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C)cc1C(C)C ZINC000004970558 210343836 /nfs/dbraw/zinc/34/38/36/210343836.db2.gz CUBRWSIZNNTHOU-UHFFFAOYSA-N -1 0 348.468 4.021 50 0 EIAARM CCCCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000011565904 258054323 /nfs/dbraw/zinc/05/43/23/258054323.db2.gz UIJQSKYABFTLSS-UHFFFAOYSA-N -1 0 348.468 4.185 50 0 EIAARM Oc1ccc(-c2n[n-]c(=S)n2-c2ccc(Br)cc2)cc1 ZINC000005427856 563532214 /nfs/dbraw/zinc/53/22/14/563532214.db2.gz DLUHGSMMCFOLJV-UHFFFAOYSA-N -1 0 348.225 4.065 50 0 EIAARM Cc1ccc(C(=O)[C@H](C)c2c([O-])c3ccccc3oc2=O)c(Cl)c1 ZINC000000070297 563215112 /nfs/dbraw/zinc/21/51/12/563215112.db2.gz WCEQQGXSOZUVPP-LLVKDONJSA-N -1 0 342.778 4.447 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000000109877 563229245 /nfs/dbraw/zinc/22/92/45/563229245.db2.gz OHMNZXDXOKJCME-WOJBJXKFSA-N -1 0 349.430 4.385 50 0 EIAARM CNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)[O-])c21 ZINC000000133929 563239884 /nfs/dbraw/zinc/23/98/84/563239884.db2.gz APJXRVHDQFCGQM-UHFFFAOYSA-N -1 0 337.400 4.049 50 0 EIAARM O=C([O-])c1cc2ccc1CCc1ccc(cc1Br)CC2 ZINC000000343193 563287311 /nfs/dbraw/zinc/28/73/11/563287311.db2.gz ABUOWVUOGSYHMG-UHFFFAOYSA-N -1 0 331.209 4.031 50 0 EIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)cc1OC ZINC000001009120 563368313 /nfs/dbraw/zinc/36/83/13/563368313.db2.gz XYBFJRVNNBSHLQ-UHFFFAOYSA-N -1 0 337.375 4.234 50 0 EIAARM Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1C(=O)[O-] ZINC000001115754 563375125 /nfs/dbraw/zinc/37/51/25/563375125.db2.gz PWMZLUGLQXCXKX-UHFFFAOYSA-N -1 0 345.398 4.464 50 0 EIAARM Cc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3[O-])cn2)cc1 ZINC000001395040 563386417 /nfs/dbraw/zinc/38/64/17/563386417.db2.gz VOUFSVWPQYVGIH-UHFFFAOYSA-N -1 0 328.371 4.271 50 0 aggregator EIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3C(C)(C)C ZINC000005235538 563523691 /nfs/dbraw/zinc/52/36/91/563523691.db2.gz RSZGOILSNWBLCB-UHFFFAOYSA-N -1 0 328.364 4.162 50 0 EIAARM O=C([O-])c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000007603933 563607152 /nfs/dbraw/zinc/60/71/52/563607152.db2.gz CEDFYEVUKURFJC-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2)C1 ZINC000007751518 563613169 /nfs/dbraw/zinc/61/31/69/563613169.db2.gz OPWPMIRAYATWNQ-FOWTUZBSSA-N -1 0 344.414 4.309 50 0 EIAARM C[C@H](SCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000008215033 563623519 /nfs/dbraw/zinc/62/35/19/563623519.db2.gz ZJTIWRULFBVAOI-NSHDSACASA-N -1 0 349.839 4.299 50 0 EIAARM O=C(Nc1ccon1)c1ccc(COc2cccc3ccccc32)o1 ZINC000032611328 563665429 /nfs/dbraw/zinc/66/54/29/563665429.db2.gz PGHZQTSFSKXTMS-UHFFFAOYSA-N -1 0 334.331 4.252 50 0 EIAARM CCN(CC)C(=O)[N-]P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000015636633 563789162 /nfs/dbraw/zinc/78/91/62/563789162.db2.gz JMBCUOGHDIDVRP-UHFFFAOYSA-N -1 0 348.339 4.304 50 0 EIAARM O=C([O-])c1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000004635875 563951202 /nfs/dbraw/zinc/95/12/02/563951202.db2.gz GINIPFAEYBMZGQ-QILLFSRXSA-N -1 0 336.347 4.120 50 0 EIAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1C[C@H]1CCCO1 ZINC000065394498 563959521 /nfs/dbraw/zinc/95/95/21/563959521.db2.gz XGTJFANUFSFSNO-MRXNPFEDSA-N -1 0 348.402 4.094 50 0 EIAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(F)c2Cl)cc1 ZINC000097018971 563966777 /nfs/dbraw/zinc/96/67/77/563966777.db2.gz SOSGZKCHJBDLDP-UHFFFAOYSA-N -1 0 335.762 4.094 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000000316453 563991041 /nfs/dbraw/zinc/99/10/41/563991041.db2.gz APCNZIHYKUFRNY-HOTGVXAUSA-N -1 0 335.359 4.192 50 0 EIAARM O=C([O-])c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000000227470 564012242 /nfs/dbraw/zinc/01/22/42/564012242.db2.gz ZIBNVGXCZYAFJE-UHFFFAOYSA-N -1 0 335.812 4.231 50 0 EIAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCCCCC1 ZINC000046053405 564029374 /nfs/dbraw/zinc/02/93/74/564029374.db2.gz DSURJBIYNJOOHJ-UHFFFAOYSA-N -1 0 344.436 4.079 50 0 EIAARM CCCCC(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000046053368 564029375 /nfs/dbraw/zinc/02/93/75/564029375.db2.gz FNADSORKFPVFOK-UHFFFAOYSA-N -1 0 340.423 4.150 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1Nc1ccccc1 ZINC000003204922 564058440 /nfs/dbraw/zinc/05/84/40/564058440.db2.gz KZHFROICPFWBIN-UHFFFAOYSA-N -1 0 332.359 4.381 50 0 EIAARM COc1ccc2ccccc2c1Cn1c(=O)c2ccccc2[n-]c1=S ZINC000074253740 564073364 /nfs/dbraw/zinc/07/33/64/564073364.db2.gz MYHLTOIQHARWSI-UHFFFAOYSA-N -1 0 348.427 4.269 50 0 EIAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1C ZINC000007053037 564103899 /nfs/dbraw/zinc/10/38/99/564103899.db2.gz YOOHJCMTNDSIFX-UHFFFAOYSA-N -1 0 329.343 4.123 50 0 EIAARM Cc1c(Cl)cccc1NC[C@H](CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000016991405 564115962 /nfs/dbraw/zinc/11/59/62/564115962.db2.gz PYFNWWZLPZEEOU-LBPRGKRZSA-N -1 0 343.814 4.195 50 0 EIAARM COc1cccc(/C=C\c2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000096402179 564147146 /nfs/dbraw/zinc/14/71/46/564147146.db2.gz IWYDYYFIZVUUIY-WAYWQWQTSA-N -1 0 327.361 4.280 50 0 EIAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000097014490 564149165 /nfs/dbraw/zinc/14/91/65/564149165.db2.gz IDNJRRVBTIZIIU-UHFFFAOYSA-N -1 0 335.762 4.094 50 0 EIAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc2ccccc2c1 ZINC000003269150 564156805 /nfs/dbraw/zinc/15/68/05/564156805.db2.gz RIAVOAJYIKQFDN-UHFFFAOYSA-N -1 0 349.358 4.242 50 0 EIAARM CC(=NNc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC000254833232 1024996071 /nfs/dbraw/zinc/99/60/71/1024996071.db2.gz CNQHJJNZXQJVAF-UHFFFAOYSA-N -1 0 340.166 4.443 50 0 EIAARM Cc1ccc(-c2cccc(CN=c3[n-]nc(-c4ccncc4)o3)c2)cc1 ZINC000462389772 1045218874 /nfs/dbraw/zinc/21/88/74/1045218874.db2.gz WLQGSHSPMHUDFU-UHFFFAOYSA-N -1 0 342.402 4.141 50 0 EIAARM O=C([O-])CC/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 ZINC000033670722 1047727981 /nfs/dbraw/zinc/72/79/81/1047727981.db2.gz QVUIHLRLVUWZMV-RAXLEYEMSA-N -1 0 325.389 4.407 50 0 EIAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc(Cl)cc2)c1 ZINC000004719262 210257446 /nfs/dbraw/zinc/25/74/46/210257446.db2.gz XDFDNENYSVBQMZ-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])C1(CC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCC1 ZINC000063897954 214775157 /nfs/dbraw/zinc/77/51/57/214775157.db2.gz FZWKWJURVOLEPF-UHFFFAOYSA-N -1 0 344.436 4.147 50 0 EIAARM CCCCC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)CCCC(=O)[O-] ZINC000003869368 210080539 /nfs/dbraw/zinc/08/05/39/210080539.db2.gz VNYSSYRCGWBHLG-FPDMURTPSA-N -1 0 336.472 4.158 50 0 in-vitro EIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)c1 ZINC000003756370 210074192 /nfs/dbraw/zinc/07/41/92/210074192.db2.gz GNHPJDFMEXUAOP-UHFFFAOYSA-N -1 0 337.375 4.234 50 0 EIAARM O=C([O-])CSc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000003646854 210069934 /nfs/dbraw/zinc/06/99/34/210069934.db2.gz JJPOVMZLCXNDCU-UHFFFAOYSA-N -1 0 336.372 4.220 50 0 EIAARM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000003628941 210068509 /nfs/dbraw/zinc/06/85/09/210068509.db2.gz VCSLAJAFVDYRDD-IAGOWNOFSA-N -1 0 345.826 4.166 50 0 EIAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccc(F)c2)C1 ZINC000102738233 219226766 /nfs/dbraw/zinc/22/67/66/219226766.db2.gz YEEHQSQTNNNUQT-AWEZNQCLSA-N -1 0 328.347 4.080 50 0 EIAARM CCOc1ccc(C(=O)C[C@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000003107787 209964843 /nfs/dbraw/zinc/96/48/43/209964843.db2.gz UXQQZCARNHZPPL-INIZCTEOSA-N -1 0 337.375 4.008 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1/C[C@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000069347523 215380688 /nfs/dbraw/zinc/38/06/88/215380688.db2.gz VKBDKCLJSLBMPP-HKLRHMNMSA-N -1 0 347.418 4.396 50 0 EIAARM Cc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Cl)cc2)cc1C ZINC000000550315 209660661 /nfs/dbraw/zinc/66/06/61/209660661.db2.gz DQVAAYDQDWPFNI-HNNXBMFYSA-N -1 0 345.826 4.229 50 0 EIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000000295249 209521019 /nfs/dbraw/zinc/52/10/19/209521019.db2.gz SDWHHCLFKOGDNN-UHFFFAOYSA-N -1 0 335.734 4.160 50 0 EIAARM COc1cccc(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)c1 ZINC000019793884 212069212 /nfs/dbraw/zinc/06/92/12/212069212.db2.gz SLGHVSUHCOQKEA-UHFFFAOYSA-N -1 0 342.782 4.069 50 0 EIAARM Cc1cc(C)c(-c2c([O-])c3cnn(-c4ccccc4)c3[nH]c2=O)c(C)c1 ZINC000013111814 211522927 /nfs/dbraw/zinc/52/29/27/211522927.db2.gz KYTHUVIHKIGLHQ-UHFFFAOYSA-N -1 0 345.402 4.012 50 0 EIAARM CCc1cccc(N[C@@H](c2ccc(Cl)cc2)[P@@](=O)([O-])O)c1 ZINC000012526554 211399538 /nfs/dbraw/zinc/39/95/38/211399538.db2.gz LRKPZJRJIZPTKJ-OAHLLOKOSA-N -1 0 325.732 4.191 50 0 EIAARM Cc1ccc(COc2ccc(/C=C/C(=O)[O-])cc2Br)cc1 ZINC000011958663 211276141 /nfs/dbraw/zinc/27/61/41/211276141.db2.gz PMTSIATZCIJGHZ-VQHVLOKHSA-N -1 0 347.208 4.434 50 0 EIAARM O=c1cc([O-])c2sc3nc(-c4ccccc4Cl)ccc3c2[nH]1 ZINC000008783606 211006017 /nfs/dbraw/zinc/00/60/17/211006017.db2.gz KWAVHVCINHEPIJ-UHFFFAOYSA-N -1 0 328.780 4.164 50 0 EIAARM CCOc1ccc(-n2c(CCc3ccccc3)n[n-]c2=S)cc1 ZINC000005823161 210543949 /nfs/dbraw/zinc/54/39/49/210543949.db2.gz IOXFEAUVOCCBMC-UHFFFAOYSA-N -1 0 325.437 4.114 50 0 EIAARM O=C([O-])C/C(=C\c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000004948466 210337799 /nfs/dbraw/zinc/33/77/99/210337799.db2.gz AOTVRDZAFREXAH-KPKJPENVSA-N -1 0 339.372 4.040 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004949535 210337704 /nfs/dbraw/zinc/33/77/04/210337704.db2.gz QKBPDVBZTVJMLY-VHSXEESVSA-N -1 0 348.613 4.165 50 0 EIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000004893672 210315176 /nfs/dbraw/zinc/31/51/76/210315176.db2.gz VDBPMDLICMFYOB-KGLIPLIRSA-N -1 0 342.222 4.379 50 0 EIAARM Cc1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)o2)no1 ZINC000004858095 210303188 /nfs/dbraw/zinc/30/31/88/210303188.db2.gz AZUQQSMZJLIBHS-UHFFFAOYSA-N -1 0 328.393 4.429 50 0 EIAARM O=C([O-])c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc21 ZINC000004812480 210283893 /nfs/dbraw/zinc/28/38/93/210283893.db2.gz UGYLWYNSKRKEBR-UHFFFAOYSA-N -1 0 344.164 4.068 50 0 EIAARM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000029010785 525077981 /nfs/dbraw/zinc/07/79/81/525077981.db2.gz AJVMMXVRCJQDOH-CQSZACIVSA-N -1 0 343.423 4.425 50 0 EIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526075 563439321 /nfs/dbraw/zinc/43/93/21/563439321.db2.gz MLGPTQXMWWXLTH-UHFFFAOYSA-N -1 0 343.766 4.271 50 0 EIAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccccc2O)n1 ZINC000017748508 563845468 /nfs/dbraw/zinc/84/54/68/563845468.db2.gz UHLXCPWNMJJHHB-UHFFFAOYSA-N -1 0 329.359 4.452 50 0 EIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000032919342 563914516 /nfs/dbraw/zinc/91/45/16/563914516.db2.gz IHDWVHDNOMJBOO-VOTSOKGWSA-N -1 0 348.446 4.438 50 0 EIAARM CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(C(=O)[O-])cc1 ZINC000254678069 563950467 /nfs/dbraw/zinc/95/04/67/563950467.db2.gz MKOWFEMGYHWEKT-UHFFFAOYSA-N -1 0 338.432 4.476 50 0 EIAARM Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2[O-])cc1 ZINC000000024114 563963224 /nfs/dbraw/zinc/96/32/24/563963224.db2.gz WJELDEPSUYKBHS-UHFFFAOYSA-N -1 0 340.604 4.369 50 0 EIAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o/c1=N\[O-] ZINC000004675540 563963684 /nfs/dbraw/zinc/96/36/84/563963684.db2.gz IHUDOIZQWIRRCA-SILNSSARSA-N -1 0 349.173 4.282 50 0 EIAARM COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[C@@H]1C(=O)[O-] ZINC000071770515 563965630 /nfs/dbraw/zinc/96/56/30/563965630.db2.gz BDDGXPYZRHXXQH-INIZCTEOSA-N -1 0 335.403 4.203 50 0 EIAARM O=C([O-])Cc1ccc(OCc2csc(-c3ccccc3)n2)cc1 ZINC000097125295 563968098 /nfs/dbraw/zinc/96/80/98/563968098.db2.gz PMOSTFANXOPOFJ-UHFFFAOYSA-N -1 0 325.389 4.016 50 0 EIAARM O=C([O-])c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000000172996 563987602 /nfs/dbraw/zinc/98/76/02/563987602.db2.gz OGHNJJDPWLOSQM-UHFFFAOYSA-N -1 0 333.384 4.107 50 0 EIAARM O=c1c2ccccc2nc(-c2ccccc2O)n1-c1ccccc1Cl ZINC000005685460 564006041 /nfs/dbraw/zinc/00/60/41/564006041.db2.gz HKSYWNMIENNDNV-UHFFFAOYSA-N -1 0 348.789 4.412 50 0 EIAARM O=C(CSc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000621098 564012903 /nfs/dbraw/zinc/01/29/03/564012903.db2.gz HCXFEAUWBOJGNG-UHFFFAOYSA-N -1 0 328.220 4.430 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013253634 564019673 /nfs/dbraw/zinc/01/96/73/564019673.db2.gz IOKMYVLRPTUSGT-HTQZYQBOSA-N -1 0 348.613 4.252 50 0 EIAARM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2c(c1)CCCC2 ZINC000013468406 564020022 /nfs/dbraw/zinc/02/00/22/564020022.db2.gz HJUIRAIUVPPWPU-HNNXBMFYSA-N -1 0 343.467 4.168 50 0 EIAARM Cc1sc2[n-]c(=S)n(CCc3ccc(F)cc3)c(=O)c2c1C ZINC000017070492 564024818 /nfs/dbraw/zinc/02/48/18/564024818.db2.gz XEUFJDIXMAWGEU-UHFFFAOYSA-N -1 0 334.441 4.119 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000045923049 564028897 /nfs/dbraw/zinc/02/88/97/564028897.db2.gz MVWDOWWQLGTDQC-IRXDYDNUSA-N -1 0 343.810 4.114 50 0 EIAARM COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000222354274 564036808 /nfs/dbraw/zinc/03/68/08/564036808.db2.gz OCCRAOGGTJCSKO-KFKAGJAMSA-N -1 0 339.391 4.028 50 0 EIAARM O=c1nc(-c2nc3ccccc3o2)[n-]c2scc(-c3ccccc3)c21 ZINC000225517529 564047456 /nfs/dbraw/zinc/04/74/56/564047456.db2.gz UXAYLXLHHMSZHR-UHFFFAOYSA-N -1 0 345.383 4.460 50 0 EIAARM CC(C)(C)OC(=O)NCc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000040449482 564047491 /nfs/dbraw/zinc/04/74/91/564047491.db2.gz MLRRJAYCCCXQNY-UHFFFAOYSA-N -1 0 327.380 4.077 50 0 EIAARM O=C(Oc1cccc(C=C2SC(=S)NC2=O)c1)c1ccccc1 ZINC000001001027 564053952 /nfs/dbraw/zinc/05/39/52/564053952.db2.gz NVCYPDIMHXGUSQ-GXDHUFHOSA-N -1 0 341.413 4.235 50 0 EIAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1CC=CCC1 ZINC000012600642 564060390 /nfs/dbraw/zinc/06/03/90/564060390.db2.gz FKADHCRCZAZLOX-CYBMUJFWSA-N -1 0 327.405 4.408 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000190872974 564084378 /nfs/dbraw/zinc/08/43/78/564084378.db2.gz ZUBKBWIULBPMRD-UHFFFAOYSA-N -1 0 345.345 4.032 50 0 EIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820379 564096581 /nfs/dbraw/zinc/09/65/81/564096581.db2.gz AEUXROLBONZHDK-UHFFFAOYSA-N -1 0 344.386 4.013 50 0 EIAARM Cc1n[nH]c(C)c1/C=C1\C[C@@H](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000096256111 564146168 /nfs/dbraw/zinc/14/61/68/564146168.db2.gz VKBDKCLJSLBMPP-ZTMOJVSCSA-N -1 0 347.418 4.396 50 0 EIAARM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581906 564164945 /nfs/dbraw/zinc/16/49/45/564164945.db2.gz XUHWDNIXGOQNIN-SCLBCKFNSA-N -1 0 345.826 4.000 50 0 EIAARM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)[O-])ccc4[C@H]3CC[C@@]12C ZINC000261494739 568419353 /nfs/dbraw/zinc/41/93/53/568419353.db2.gz BQUPETXJTSLVRT-DRJBRKBZSA-N -1 0 342.435 4.173 50 0 EIAARM O=C([O-])CCP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000090694853 568420560 /nfs/dbraw/zinc/42/05/60/568420560.db2.gz WCSXCHGBVSQCMB-UHFFFAOYSA-N -1 0 334.308 4.088 50 0 EIAARM CCCCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000031903964 1020888377 /nfs/dbraw/zinc/88/83/77/1020888377.db2.gz WBAODYRROXIURH-UHFFFAOYSA-N -1 0 348.468 4.068 50 0 EIAARM Cc1nc2sccn2c1/C=C/c1cc(C(=O)[O-])c2cc(C)ccc2n1 ZINC000032743587 1045940001 /nfs/dbraw/zinc/94/00/01/1045940001.db2.gz YEGGQTZROFNEKF-GQCTYLIASA-N -1 0 349.415 4.429 50 0 EIAARM O=C([O-])[C@H]1C/C(=C\C=C/c2ccc(F)cc2F)C(=O)c2ccccc21 ZINC000390832822 1049517083 /nfs/dbraw/zinc/51/70/83/1049517083.db2.gz NBFGIBZPMNODRF-ADPDMPCTSA-N -1 0 340.325 4.359 50 0 EIAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccs1)CCCC3 ZINC000004735754 210263586 /nfs/dbraw/zinc/26/35/86/210263586.db2.gz QRPFLYNLZCKEPH-UHFFFAOYSA-N -1 0 347.461 4.482 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 ZINC000049467020 214010255 /nfs/dbraw/zinc/01/02/55/214010255.db2.gz DERCLBUIRKNIEZ-IBGZPJMESA-N -1 0 349.430 4.214 50 0 EIAARM O=C(C(C(=O)c1ccccc1)=C([O-])c1ccccc1)c1ccccc1 ZINC000100495199 219100473 /nfs/dbraw/zinc/10/04/73/219100473.db2.gz CTUQBZGKHZPYJF-UHFFFAOYSA-N -1 0 328.367 4.251 50 0 biogenic EIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1 ZINC000101448580 219127157 /nfs/dbraw/zinc/12/71/57/219127157.db2.gz ZKQNIPQCXUBUJG-UHFFFAOYSA-N -1 0 338.798 4.007 50 0 EIAARM [O-]C(c1cc(Cl)cc(Cl)c1O)(C(F)(F)F)C(F)(F)F ZINC000004141920 210131464 /nfs/dbraw/zinc/13/14/64/210131464.db2.gz RYPFYYQTHNPAEL-UHFFFAOYSA-N -1 0 329.023 4.011 50 0 EIAARM COc1ccccc1-c1nnc([N-]c2nc3ccc(F)cc3s2)o1 ZINC000004137792 210129790 /nfs/dbraw/zinc/12/97/90/210129790.db2.gz NMTKKMKEJNGSOP-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM C[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccs4)cc3c2C1 ZINC000003893936 210085125 /nfs/dbraw/zinc/08/51/25/210085125.db2.gz KKHPGCJBGAERNW-LLVKDONJSA-N -1 0 347.461 4.420 50 0 EIAARM Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)[O-])cc1C ZINC000003407337 210030214 /nfs/dbraw/zinc/03/02/14/210030214.db2.gz LNCGEFSSDWFMHK-ZHACJKMWSA-N -1 0 332.403 4.313 50 0 EIAARM CCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000102717997 219224871 /nfs/dbraw/zinc/22/48/71/219224871.db2.gz NIXADOIPVGYLCU-UHFFFAOYSA-N -1 0 329.403 4.255 50 0 EIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1OC ZINC000003120155 209966706 /nfs/dbraw/zinc/96/67/06/209966706.db2.gz JHEHNXNTFNLQKP-UHFFFAOYSA-N -1 0 343.766 4.271 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000002942790 209943601 /nfs/dbraw/zinc/94/36/01/209943601.db2.gz LYWUAZCAWKLZHC-UONOGXRCSA-N -1 0 341.329 4.091 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000002942794 209943424 /nfs/dbraw/zinc/94/34/24/209943424.db2.gz LYWUAZCAWKLZHC-KBPBESRZSA-N -1 0 341.329 4.091 50 0 EIAARM C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000035142218 213009761 /nfs/dbraw/zinc/00/97/61/213009761.db2.gz QJSLJLSQEYRTPS-WBMJQRKESA-N -1 0 331.799 4.173 50 0 EIAARM C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000035142216 213009812 /nfs/dbraw/zinc/00/98/12/213009812.db2.gz QJSLJLSQEYRTPS-LRDDRELGSA-N -1 0 331.799 4.173 50 0 EIAARM Cc1c2ccccc2sc1C(=O)CSc1ncccc1C(=O)[O-] ZINC000000081217 209407558 /nfs/dbraw/zinc/40/75/58/209407558.db2.gz OBEOAQSBKMLKAH-UHFFFAOYSA-N -1 0 343.429 4.278 50 0 EIAARM Cc1ccc(-n2cc([O-])c(-c3ccc(Br)cc3)n2)cc1 ZINC000215850452 241149929 /nfs/dbraw/zinc/14/99/29/241149929.db2.gz SDCGNIXPYMRMLV-UHFFFAOYSA-N -1 0 329.197 4.316 50 0 EIAARM CCOC(=O)C=C([O-])c1sc2ccc(C(F)(F)F)cc2c1C ZINC000216699186 241204887 /nfs/dbraw/zinc/20/48/87/241204887.db2.gz NQLYTLLZAYQIGG-UHFFFAOYSA-N -1 0 330.327 4.364 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn21 ZINC000020615706 212155716 /nfs/dbraw/zinc/15/57/16/212155716.db2.gz ZIAFBPYDSVQTJJ-UHFFFAOYSA-N -1 0 349.777 4.415 50 0 EIAARM O=C([O-])c1ccc(N2CCN=C2SCc2ccc(Cl)cc2)cc1 ZINC000020366006 212122322 /nfs/dbraw/zinc/12/23/22/212122322.db2.gz SIGPCEVMMBMMEN-UHFFFAOYSA-N -1 0 346.839 4.148 50 0 EIAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000019891666 212079758 /nfs/dbraw/zinc/07/97/58/212079758.db2.gz FNMPDKZNVANULR-UHFFFAOYSA-N -1 0 346.308 4.426 50 0 EIAARM O=C([O-])[C@@H](Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000263623371 245465990 /nfs/dbraw/zinc/46/59/90/245465990.db2.gz GVJHGORMXVVRNX-NSHDSACASA-N -1 0 329.705 4.165 50 0 EIAARM O=C([O-])[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC000011798207 211247441 /nfs/dbraw/zinc/24/74/41/211247441.db2.gz PYQBGHZZGUTMSS-ZDUSSCGKSA-N -1 0 341.588 4.307 50 0 EIAARM O=C([O-])c1cccc(CSc2nnc(Nc3ccccc3)s2)c1 ZINC000013062075 211518768 /nfs/dbraw/zinc/51/87/68/211518768.db2.gz FARBATNXUAUBGF-UHFFFAOYSA-N -1 0 343.433 4.272 50 0 EIAARM O=C([O-])Cc1csc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000011951240 211274283 /nfs/dbraw/zinc/27/42/83/211274283.db2.gz GCGSUBBXXDPLAA-UHFFFAOYSA-N -1 0 329.352 4.369 50 0 EIAARM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccccc1C ZINC000011861853 211258776 /nfs/dbraw/zinc/25/87/76/211258776.db2.gz WWBOOQAIZGGXMZ-BQYQJAHWSA-N -1 0 332.783 4.334 50 0 EIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000009059991 211035859 /nfs/dbraw/zinc/03/58/59/211035859.db2.gz RFRRZJZPNNCMMJ-UHFFFAOYSA-N -1 0 346.434 4.065 50 0 EIAARM CCc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000008914821 211017313 /nfs/dbraw/zinc/01/73/13/211017313.db2.gz LTCCRWLMNDRBTM-UHFFFAOYSA-N -1 0 340.814 4.127 50 0 EIAARM CCc1c(C)nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n2c1=O ZINC000008914851 211016901 /nfs/dbraw/zinc/01/69/01/211016901.db2.gz DCEZXJJBVYKJNC-UHFFFAOYSA-N -1 0 343.430 4.151 50 0 EIAARM Cc1ccc(C(=O)[O-])c(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000005032292 210369229 /nfs/dbraw/zinc/36/92/29/210369229.db2.gz XAIGKWOZNKOQDO-UHFFFAOYSA-N -1 0 339.322 4.345 50 0 EIAARM O=C([O-])Cc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 ZINC000097139604 218969575 /nfs/dbraw/zinc/96/95/75/218969575.db2.gz CIFFXVSLEGBYFO-UHFFFAOYSA-N -1 0 343.766 4.201 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@H](CC(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000004977234 210347192 /nfs/dbraw/zinc/34/71/92/210347192.db2.gz BEZCBONOOWRFHY-DOTOQJQBSA-N -1 0 325.408 4.137 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004949537 210337725 /nfs/dbraw/zinc/33/77/25/210337725.db2.gz QKBPDVBZTVJMLY-NXEZZACHSA-N -1 0 348.613 4.165 50 0 EIAARM C[P@@](=O)([O-])O[C@@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F ZINC000004951976 210337336 /nfs/dbraw/zinc/33/73/36/210337336.db2.gz WNWCGGALCJSDCW-QMMMGPOBSA-N -1 0 337.061 4.296 50 0 EIAARM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](CC(=O)[O-])CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000245238984 258073014 /nfs/dbraw/zinc/07/30/14/258073014.db2.gz DGNCIMCPMIGWCU-OAGDKFAKSA-N -1 0 334.500 4.481 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000000070041 563214813 /nfs/dbraw/zinc/21/48/13/563214813.db2.gz HOSRWXXLRWQPPH-GOSISDBHSA-N -1 0 341.451 4.346 50 0 EIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000000384616 563301327 /nfs/dbraw/zinc/30/13/27/563301327.db2.gz VBZCKONYGSQXHT-UHFFFAOYSA-N -1 0 347.823 4.303 50 0 EIAARM Cc1cc(C)nc([N-]c2nc3ccccc3c(-c3ccccc3)n2)n1 ZINC000001260251 563381973 /nfs/dbraw/zinc/38/19/73/563381973.db2.gz HDZPHZHWGYLABI-UHFFFAOYSA-N -1 0 327.391 4.447 50 0 EIAARM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001777597 563411181 /nfs/dbraw/zinc/41/11/81/563411181.db2.gz GBSCPORHNYJXSE-UHFFFAOYSA-N -1 0 339.844 4.320 50 0 EIAARM COc1ccc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000002552470 563440977 /nfs/dbraw/zinc/44/09/77/563440977.db2.gz CFYDXNBMIJXILG-UHFFFAOYSA-N -1 0 326.377 4.261 50 0 EIAARM Cc1nc(C)c(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)s1 ZINC000002862431 563457020 /nfs/dbraw/zinc/45/70/20/563457020.db2.gz VXUMRZLQTNIODP-UHFFFAOYSA-N -1 0 347.421 4.031 50 0 EIAARM CCOc1ccc2c(c1)[C@@H](SCC(=O)[O-])CC1(CCCCC1)O2 ZINC000002944860 563464279 /nfs/dbraw/zinc/46/42/79/563464279.db2.gz KDGKBABKPKPYHD-INIZCTEOSA-N -1 0 336.453 4.430 50 0 EIAARM CCOc1ccc(-n2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000006473259 563568879 /nfs/dbraw/zinc/56/88/79/563568879.db2.gz FAOXVHFRMDHEQA-UHFFFAOYSA-N -1 0 327.409 4.004 50 0 EIAARM O=c1c(Oc2ccc(Br)cc2)coc2cc([O-])ccc12 ZINC000006557402 563572450 /nfs/dbraw/zinc/57/24/50/563572450.db2.gz QJJSOHSKNGDMSV-UHFFFAOYSA-N -1 0 333.137 4.053 50 0 biogenic EIAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007603919 563607075 /nfs/dbraw/zinc/60/70/75/563607075.db2.gz UZAIZRXLNZTLLD-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM O=C([O-])c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 ZINC000014075243 563737748 /nfs/dbraw/zinc/73/77/48/563737748.db2.gz IZMCAKSUCDCNIB-UHFFFAOYSA-N -1 0 349.173 4.214 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000014255041 563755976 /nfs/dbraw/zinc/75/59/76/563755976.db2.gz FCOIQLYMZTZDDX-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000015799719 563792615 /nfs/dbraw/zinc/79/26/15/563792615.db2.gz OYNKFXBZEGBQQM-QPEQYQDCSA-N -1 0 345.401 4.282 50 0 EIAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000032601931 563914099 /nfs/dbraw/zinc/91/40/99/563914099.db2.gz XKAKDNWFIJSOOV-UHFFFAOYSA-N -1 0 339.844 4.075 50 0 EIAARM CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000237082 563917145 /nfs/dbraw/zinc/91/71/45/563917145.db2.gz YCUGYQJADWATHB-NHYWBVRUSA-N -1 0 341.436 4.270 50 0 EIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(=O)c1C ZINC000102572671 563919521 /nfs/dbraw/zinc/91/95/21/563919521.db2.gz KCTJXIXQTQGIAE-SSDOTTSWSA-N -1 0 340.235 4.476 50 0 EIAARM Cc1cc(Br)ccc1C(=O)CCCCCCC(=O)[O-] ZINC000043214136 563925443 /nfs/dbraw/zinc/92/54/43/563925443.db2.gz OERWYQHMQHMGNV-UHFFFAOYSA-N -1 0 327.218 4.365 50 0 EIAARM O=C([O-])c1ccc(F)c(F)c1Nc1ccc(Br)cc1F ZINC000044126715 563926254 /nfs/dbraw/zinc/92/62/54/563926254.db2.gz LYWJUDIKFYOXSP-UHFFFAOYSA-N -1 0 346.102 4.308 50 0 EIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cc1 ZINC000044672160 563926496 /nfs/dbraw/zinc/92/64/96/563926496.db2.gz SKVGIQTXPXWRLN-UHFFFAOYSA-N -1 0 330.746 4.089 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 ZINC000045951719 563929514 /nfs/dbraw/zinc/92/95/14/563929514.db2.gz OVQQRBIJPQXUHW-GOSISDBHSA-N -1 0 335.403 4.218 50 0 EIAARM O=C([O-])c1cnc(/C=C/c2csc(-c3ccc(F)cc3)n2)s1 ZINC000058382128 563944456 /nfs/dbraw/zinc/94/44/56/563944456.db2.gz GPWZOLTYRDWDKZ-AATRIKPKSA-N -1 0 332.381 4.274 50 0 EIAARM CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000058424294 563945944 /nfs/dbraw/zinc/94/59/44/563945944.db2.gz PZTNKADJDHGHSA-GFCCVEGCSA-N -1 0 345.468 4.040 50 0 EIAARM CCCCOc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000065504703 563961679 /nfs/dbraw/zinc/96/16/79/563961679.db2.gz PHDKHNKTYMCBIO-KRWDZBQOSA-N -1 0 339.391 4.038 50 0 EIAARM O=C([O-])/C=C\c1ccccc1OCc1cccc(Br)c1 ZINC000095911110 563977753 /nfs/dbraw/zinc/97/77/53/563977753.db2.gz VRMAVMYHDUTYGJ-HJWRWDBZSA-N -1 0 333.181 4.126 50 0 EIAARM O=C([O-])c1ccc2nc(-c3ccccc3Br)sc2c1 ZINC000073740374 563991752 /nfs/dbraw/zinc/99/17/52/563991752.db2.gz SMLSCIVEJHKZKL-UHFFFAOYSA-N -1 0 334.194 4.424 50 0 EIAARM O=C([O-])c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000000434535 563999490 /nfs/dbraw/zinc/99/94/90/563999490.db2.gz NIRKPXQVSGHWCH-UHFFFAOYSA-N -1 0 329.440 4.492 50 0 EIAARM COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(OC)c1 ZINC000006084114 564006265 /nfs/dbraw/zinc/00/62/65/564006265.db2.gz VIGYNOHYAADXQO-VQHVLOKHSA-N -1 0 335.359 4.121 50 0 EIAARM CCOc1ccccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000001059720 564012974 /nfs/dbraw/zinc/01/29/74/564012974.db2.gz QQQCZOXYNCUMSF-UHFFFAOYSA-N -1 0 326.179 4.350 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000001196796 564012997 /nfs/dbraw/zinc/01/29/97/564012997.db2.gz CHESMAWXYAHBBH-UHFFFAOYSA-N -1 0 343.180 4.000 50 0 EIAARM Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000018045842 564017841 /nfs/dbraw/zinc/01/78/41/564017841.db2.gz JWDXZUWHZITSRD-UHFFFAOYSA-N -1 0 349.821 4.242 50 0 EIAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccc(O)cc2)n1 ZINC000018128769 564018340 /nfs/dbraw/zinc/01/83/40/564018340.db2.gz ZTLMXFXXPNJARJ-UHFFFAOYSA-N -1 0 329.359 4.452 50 0 EIAARM COc1ccc(-c2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005729800 564024359 /nfs/dbraw/zinc/02/43/59/564024359.db2.gz ZUXJYWAFEHIOHI-UHFFFAOYSA-N -1 0 336.265 4.193 50 0 biogenic EIAARM CCCCN(C)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053306 564029382 /nfs/dbraw/zinc/02/93/82/564029382.db2.gz VLLPFYLBDNZIBX-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000000971727 564053776 /nfs/dbraw/zinc/05/37/76/564053776.db2.gz AVZFIBYJGWVKIB-UHFFFAOYSA-N -1 0 346.814 4.283 50 0 EIAARM O=c1oc2cc([O-])ccc2cc1-c1ncc(C(F)(F)F)cc1Cl ZINC000263640003 564056542 /nfs/dbraw/zinc/05/65/42/564056542.db2.gz SHHZXZKLGHJRDC-UHFFFAOYSA-N -1 0 341.672 4.233 50 0 EIAARM Oc1ccc(-c2csc3nc(-c4ccc(Cl)cc4)nn23)c(O)c1 ZINC000000075372 564082395 /nfs/dbraw/zinc/08/23/95/564082395.db2.gz FNKSHBWLYBAZPP-UHFFFAOYSA-N -1 0 343.795 4.189 50 0 EIAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000006556413 564092003 /nfs/dbraw/zinc/09/20/03/564092003.db2.gz XXHWHHKTAAYCHI-UHFFFAOYSA-N -1 0 331.165 4.237 50 0 biogenic EIAARM O=C(/C=C\c1cccs1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000016696295 564093021 /nfs/dbraw/zinc/09/30/21/564093021.db2.gz RSEDHKBDOFWBFB-HJWRWDBZSA-N -1 0 347.461 4.429 50 0 EIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)s2)c1C ZINC000065031387 564099801 /nfs/dbraw/zinc/09/98/01/564099801.db2.gz ZFQVRZOYNHEKIA-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000007056450 564103965 /nfs/dbraw/zinc/10/39/65/564103965.db2.gz MNJQJRJMYTZPDW-CYBMUJFWSA-N -1 0 349.452 4.018 50 0 EIAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)cs1 ZINC000007109242 564104935 /nfs/dbraw/zinc/10/49/35/564104935.db2.gz GTENWEDAUNLTSI-UHFFFAOYSA-N -1 0 348.424 4.058 50 0 EIAARM CCCc1ccc(-c2nc(NC(=O)CCCC(=O)[O-])sc2C)cc1 ZINC000002765111 564152523 /nfs/dbraw/zinc/15/25/23/564152523.db2.gz FJCILFIXUVVJAG-UHFFFAOYSA-N -1 0 346.452 4.264 50 0 EIAARM O=c1nc[n-]c2c1sc1nc(C(F)F)cc(-c3ccccc3)c12 ZINC000008436368 564165310 /nfs/dbraw/zinc/16/53/10/564165310.db2.gz JXDSLAZEZBXBQH-UHFFFAOYSA-N -1 0 329.331 4.137 50 0 EIAARM COc1ccc2nc(-c3ccccc3)cc(SCCC(=O)[O-])c2c1 ZINC000041105095 564173245 /nfs/dbraw/zinc/17/32/45/564173245.db2.gz SPIPHTMCWNYPLE-UHFFFAOYSA-N -1 0 339.416 4.477 50 0 EIAARM CCc1cc2c(-c3ccccc3)cc(=O)oc2c(-c2ccn(C)n2)c1[O-] ZINC000823508217 1044281385 /nfs/dbraw/zinc/28/13/85/1044281385.db2.gz PMYRIWVBKZLRBO-UHFFFAOYSA-N -1 0 346.386 4.129 50 0 EIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(F)c2)cc1 ZINC000004689639 210249634 /nfs/dbraw/zinc/24/96/34/210249634.db2.gz KUDVRPHLPDRQDZ-KRWDZBQOSA-N -1 0 343.398 4.069 50 0 EIAARM Cc1cc(C)cc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000004593178 210228976 /nfs/dbraw/zinc/22/89/76/210228976.db2.gz HBHAUFPMBOKSEX-UHFFFAOYSA-N -1 0 327.380 4.289 50 0 EIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)s2)c1C ZINC000065031288 214823564 /nfs/dbraw/zinc/82/35/64/214823564.db2.gz OYRGBPXUDQPUEL-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM Cc1nc(S[C@@H](C(=O)[O-])c2ccccc2)cc(-c2ccccc2)n1 ZINC000004279263 210159197 /nfs/dbraw/zinc/15/91/97/210159197.db2.gz OMWZPDYSDWZBQJ-GOSISDBHSA-N -1 0 336.416 4.370 50 0 EIAARM Fc1ccc(-c2nnc([N-]c3nc4c(cccc4F)s3)o2)cc1 ZINC000004137693 210129514 /nfs/dbraw/zinc/12/95/14/210129514.db2.gz ZYRLKJPOWSRFFP-UHFFFAOYSA-N -1 0 330.319 4.368 50 0 EIAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1CCC(C)C ZINC000101781892 219164423 /nfs/dbraw/zinc/16/44/23/219164423.db2.gz PPMTZXLSKDQYIJ-UHFFFAOYSA-N -1 0 342.468 4.019 50 0 EIAARM CC(C)CCCCCCOc1ccc([C@@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000004024669 210101309 /nfs/dbraw/zinc/10/13/09/210101309.db2.gz ZCGJBJLIAOLTAB-KRWDZBQOSA-N -1 0 349.471 4.106 50 0 biogenic EIAARM COc1ccccc1-n1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2 ZINC000003905369 210089969 /nfs/dbraw/zinc/08/99/69/210089969.db2.gz PJZHALFMPKAXHT-UHFFFAOYSA-N -1 0 341.480 4.406 50 0 EIAARM CCc1cc(=O)n2[n-]c(COc3ccccc3)c(-c3ccccc3)c2n1 ZINC000102594789 219213017 /nfs/dbraw/zinc/21/30/17/219213017.db2.gz ISRSQJPZCPQCOX-UHFFFAOYSA-N -1 0 345.402 4.243 50 0 EIAARM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000102646525 219218736 /nfs/dbraw/zinc/21/87/36/219218736.db2.gz VKUIKJBKCOPIOP-UHFFFAOYSA-N -1 0 327.796 4.091 50 0 EIAARM O=C(c1cccc(Br)c1)c1c[n-]c2ccc(F)cc2c1=O ZINC000067340943 215134904 /nfs/dbraw/zinc/13/49/04/215134904.db2.gz XYOHXFXRZIMHBZ-UHFFFAOYSA-N -1 0 346.155 4.073 50 0 EIAARM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)s1 ZINC000001075474 209708929 /nfs/dbraw/zinc/70/89/29/209708929.db2.gz JWPIKESEUIITKK-UHFFFAOYSA-N -1 0 335.372 4.185 50 0 EIAARM O=C([O-])c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000535962 209654247 /nfs/dbraw/zinc/65/42/47/209654247.db2.gz JCMNSAAYXTXFKN-UHFFFAOYSA-N -1 0 332.355 4.122 50 0 EIAARM Cc1cccc2cc(C(=O)N3CC[C@@H](c4ccccc4C(=O)[O-])C3)oc21 ZINC000072168263 216059685 /nfs/dbraw/zinc/05/96/85/216059685.db2.gz LKYSBSGXNPHXPK-OAHLLOKOSA-N -1 0 349.386 4.069 50 0 EIAARM C[C@H](c1cccnc1)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000073337650 216379540 /nfs/dbraw/zinc/37/95/40/216379540.db2.gz SEBIHXFDGZNNRP-LLVKDONJSA-N -1 0 339.420 4.251 50 0 EIAARM Cc1nc(-c2cccc(OCc3ccccc3F)c2)c(Cl)c(=O)[n-]1 ZINC000216139671 241167577 /nfs/dbraw/zinc/16/75/77/241167577.db2.gz PYEMEECZKNMQBU-UHFFFAOYSA-N -1 0 344.773 4.117 50 0 EIAARM O=C([O-])/C=C/c1ccccc1OCc1cccc(Br)c1 ZINC000020526591 212143531 /nfs/dbraw/zinc/14/35/31/212143531.db2.gz VRMAVMYHDUTYGJ-CMDGGOBGSA-N -1 0 333.181 4.126 50 0 EIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1 ZINC000012401074 211368428 /nfs/dbraw/zinc/36/84/28/211368428.db2.gz UHVLEDPNVXMXSC-KRWDZBQOSA-N -1 0 331.456 4.196 50 0 EIAARM CCCCc1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1CCC2 ZINC000009046175 211032775 /nfs/dbraw/zinc/03/27/75/211032775.db2.gz ADRDKNOUXVJAKZ-UHFFFAOYSA-N -1 0 331.466 4.439 50 0 EIAARM O=C([O-])c1ccc(-c2ccc(F)cc2OCc2ccccc2)c(O)c1 ZINC000095495522 218412708 /nfs/dbraw/zinc/41/27/08/218412708.db2.gz VWIZTVSPLFTPRO-UHFFFAOYSA-N -1 0 338.334 4.476 50 0 EIAARM O=C([O-])c1cc(Br)ccc1OCc1ccccc1Cl ZINC000007604016 210819249 /nfs/dbraw/zinc/81/92/49/210819249.db2.gz PXGMUUNXLCEOBW-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM O=C([O-])c1ccccc1CCC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000097039169 218925750 /nfs/dbraw/zinc/92/57/50/218925750.db2.gz FYWLKDIMTAVZET-KRWDZBQOSA-N -1 0 341.407 4.054 50 0 EIAARM Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1C ZINC000005077497 210385251 /nfs/dbraw/zinc/38/52/51/210385251.db2.gz XWEUJDWAPCWCQJ-UHFFFAOYSA-N -1 0 348.196 4.016 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000000035496 208553454 /nfs/dbraw/zinc/55/34/54/208553454.db2.gz SFQODLJFJVFFPZ-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000000035843 208554024 /nfs/dbraw/zinc/55/40/24/208554024.db2.gz KBIDGMKRLPPRNG-UHFFFAOYSA-N -1 0 328.165 4.363 50 0 in-vitro EIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000002585839 564084065 /nfs/dbraw/zinc/08/40/65/564084065.db2.gz FYFDBWTUQWRLDK-LLVKDONJSA-N -1 0 334.199 4.034 50 0 EIAARM O=C(/C=C/c1cccs1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000000087332 563220788 /nfs/dbraw/zinc/22/07/88/563220788.db2.gz RSEDHKBDOFWBFB-CMDGGOBGSA-N -1 0 347.461 4.429 50 0 EIAARM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=S)OCC ZINC000000160156 563249026 /nfs/dbraw/zinc/24/90/26/563249026.db2.gz ZRXPZLZGBDKDHL-UHFFFAOYSA-N -1 0 335.450 4.325 50 0 EIAARM O=C([O-])CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000000383023 563300613 /nfs/dbraw/zinc/30/06/13/563300613.db2.gz VXTCEUDVOCLEJG-UHFFFAOYSA-N -1 0 345.358 4.053 50 0 in-vivo EIAARM Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)cc1C ZINC000000466773 563328769 /nfs/dbraw/zinc/32/87/69/563328769.db2.gz HADJTRBTOJKUJE-UHFFFAOYSA-N -1 0 327.380 4.289 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000005277190 563525270 /nfs/dbraw/zinc/52/52/70/563525270.db2.gz CBSPWPMVKJUHTL-WBVHZDCISA-N -1 0 325.408 4.137 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])n3nc(-c4ccccc4)cc3n2)cc1 ZINC000013645603 563706438 /nfs/dbraw/zinc/70/64/38/563706438.db2.gz AFVOFRJCPPTKAY-UHFFFAOYSA-N -1 0 329.359 4.070 50 0 EIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccc(F)cc1F ZINC000013948785 563732845 /nfs/dbraw/zinc/73/28/45/563732845.db2.gz OEKUGYLOZFEOKR-UHFFFAOYSA-N -1 0 345.370 4.433 50 0 EIAARM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014256382 563756508 /nfs/dbraw/zinc/75/65/08/563756508.db2.gz MTUNGYAXGJRUQI-UHFFFAOYSA-N -1 0 325.380 4.063 50 0 EIAARM CCc1c(C)sc2[n-]c(=S)n(Cc3ccc(C)cc3)c(=O)c12 ZINC000017067870 563832006 /nfs/dbraw/zinc/83/20/06/563832006.db2.gz IFJUUGLGESCROE-UHFFFAOYSA-N -1 0 330.478 4.348 50 0 EIAARM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c(C)c1 ZINC000030836365 563910876 /nfs/dbraw/zinc/91/08/76/563910876.db2.gz KZQHWUNXRDUBTM-UHFFFAOYSA-N -1 0 340.448 4.269 50 0 EIAARM CCOc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Cl)c1OC ZINC000058391510 563944491 /nfs/dbraw/zinc/94/44/91/563944491.db2.gz IQWAASIXXAJTCP-SNAWJCMRSA-N -1 0 339.800 4.072 50 0 EIAARM COc1cccc(/C=C/c2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000058412962 563945318 /nfs/dbraw/zinc/94/53/18/563945318.db2.gz IWYDYYFIZVUUIY-AATRIKPKSA-N -1 0 327.361 4.280 50 0 EIAARM O=C([O-])c1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)c1 ZINC000097036819 563971273 /nfs/dbraw/zinc/97/12/73/563971273.db2.gz CZHPZQBRBLRLTN-UHFFFAOYSA-N -1 0 337.297 4.132 50 0 EIAARM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000423511 563998359 /nfs/dbraw/zinc/99/83/59/563998359.db2.gz JZWJHSVJOZLHOW-UHFFFAOYSA-N -1 0 340.448 4.160 50 0 EIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2C(F)(F)F ZINC000061720429 564000491 /nfs/dbraw/zinc/00/04/91/564000491.db2.gz QYSNQFPCVJBNHI-MRVPVSSYSA-N -1 0 341.310 4.101 50 0 EIAARM O=C([O-])c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000000397448 564012469 /nfs/dbraw/zinc/01/24/69/564012469.db2.gz NAYPZJCZFQLJIL-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000614021 564012875 /nfs/dbraw/zinc/01/28/75/564012875.db2.gz QZAVAFPVCBJVFV-UHFFFAOYSA-N -1 0 346.597 4.370 50 0 EIAARM CCCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583651592 564018345 /nfs/dbraw/zinc/01/83/45/564018345.db2.gz OWXJISVTDDSOSX-UHFFFAOYSA-N -1 0 340.423 4.264 50 0 EIAARM O=C([O-])COc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000096032385 564045884 /nfs/dbraw/zinc/04/58/84/564045884.db2.gz TZBWWUMSAGFCKT-RAXLEYEMSA-N -1 0 332.355 4.199 50 0 EIAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1F ZINC000006510001 564091262 /nfs/dbraw/zinc/09/12/62/564091262.db2.gz UTDGKLUTQLMAPW-UHFFFAOYSA-N -1 0 338.162 4.072 50 0 EIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820607 564096566 /nfs/dbraw/zinc/09/65/66/564096566.db2.gz IAFIAVLDPCGLLV-UHFFFAOYSA-N -1 0 340.423 4.264 50 0 EIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887796 564100744 /nfs/dbraw/zinc/10/07/44/564100744.db2.gz LDYSXZAJUQJZHE-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM CC(C)N1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000002265291 564125396 /nfs/dbraw/zinc/12/53/96/564125396.db2.gz AXUVZEYWXFGBJO-YHYXMXQVSA-N -1 0 332.208 4.144 50 0 EIAARM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc([O-])c(Cl)c1 ZINC000031071387 564158654 /nfs/dbraw/zinc/15/86/54/564158654.db2.gz FSXWOKDEGPDJCF-UHFFFAOYSA-N -1 0 343.732 4.337 50 0 EIAARM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581904 564164935 /nfs/dbraw/zinc/16/49/35/564164935.db2.gz XUHWDNIXGOQNIN-ACJLOTCBSA-N -1 0 345.826 4.000 50 0 EIAARM O=C([O-])c1cccc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000008429434 564165277 /nfs/dbraw/zinc/16/52/77/564165277.db2.gz GPLHLWVPTUBJCY-UHFFFAOYSA-N -1 0 345.354 4.261 50 0 EIAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000004694322 210249323 /nfs/dbraw/zinc/24/93/23/210249323.db2.gz HDBHZBALIAQTCR-KRWDZBQOSA-N -1 0 340.423 4.322 50 0 EIAARM COc1ccc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)cc1 ZINC000100139184 219092484 /nfs/dbraw/zinc/09/24/84/219092484.db2.gz COIYWIOOQXQYID-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM O=c1c(Cc2ccccc2)c([O-])c2cccc3c4c(n1c32)CCCC4 ZINC000100296240 219096166 /nfs/dbraw/zinc/09/61/66/219096166.db2.gz ZYDLDXGCTFGYOD-UHFFFAOYSA-N -1 0 329.399 4.066 50 0 EIAARM COc1ccc(-c2nnc([N-]c3nc4c(cccc4F)s3)o2)cc1 ZINC000004265903 210155243 /nfs/dbraw/zinc/15/52/43/210155243.db2.gz MJTZAHHYEVPIDG-UHFFFAOYSA-N -1 0 342.355 4.238 50 0 EIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccccc1 ZINC000004043840 210107204 /nfs/dbraw/zinc/10/72/04/210107204.db2.gz IQWQGQREZKOSCN-UHFFFAOYSA-N -1 0 334.327 4.142 50 0 biogenic EIAARM O=C([O-])CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003126299 209967772 /nfs/dbraw/zinc/96/77/72/209967772.db2.gz GKJHKTABFYRMPR-MRXNPFEDSA-N -1 0 334.824 4.472 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000002810833 209920493 /nfs/dbraw/zinc/92/04/93/209920493.db2.gz BEZCBONOOWRFHY-RDJZCZTQSA-N -1 0 325.408 4.137 50 0 EIAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@@H]32)cc1 ZINC000103544482 219313212 /nfs/dbraw/zinc/31/32/12/219313212.db2.gz VUIVNIRTYXJXCX-XOKHGSTOSA-N -1 0 329.783 4.283 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2cc(C3CC3)nn21 ZINC000036615755 213102508 /nfs/dbraw/zinc/10/25/08/213102508.db2.gz VLKOVBIZHILHOR-UHFFFAOYSA-N -1 0 348.189 4.279 50 0 EIAARM CSc1ccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)cc1 ZINC000035592670 213040337 /nfs/dbraw/zinc/04/03/37/213040337.db2.gz NYAUMUHLFWCHIU-UHFFFAOYSA-N -1 0 349.415 4.275 50 0 EIAARM Cc1cccc2cc(C(=O)N3CC[C@H](c4ccccc4C(=O)[O-])C3)oc21 ZINC000072168262 216059707 /nfs/dbraw/zinc/05/97/07/216059707.db2.gz LKYSBSGXNPHXPK-HNNXBMFYSA-N -1 0 349.386 4.069 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000049608 209390401 /nfs/dbraw/zinc/39/04/01/209390401.db2.gz FKGMRMZWDUIXMG-SWLSCSKDSA-N -1 0 345.826 4.482 50 0 EIAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000043118 209386997 /nfs/dbraw/zinc/38/69/97/209386997.db2.gz ZEARPYKPHPYVAK-INIZCTEOSA-N -1 0 334.824 4.467 50 0 EIAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000023954668 212399945 /nfs/dbraw/zinc/39/99/45/212399945.db2.gz NJWBZAQJIRGULL-LBPRGKRZSA-N -1 0 329.827 4.415 50 0 EIAARM [O-]c1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)cc1 ZINC000215850644 241151011 /nfs/dbraw/zinc/15/10/11/241151011.db2.gz DGIFZUIWUVRIGZ-UHFFFAOYSA-N -1 0 333.160 4.147 50 0 EIAARM COc1ccc(-c2nc(C(=O)[O-])cc3c4ccccc4[nH]c32)cc1OC ZINC000020610301 212154699 /nfs/dbraw/zinc/15/46/99/212154699.db2.gz FQHASHOKOFFTDM-UHFFFAOYSA-N -1 0 348.358 4.099 50 0 biogenic EIAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(F)c(Cl)c3)c12 ZINC000020328197 212119730 /nfs/dbraw/zinc/11/97/30/212119730.db2.gz MAWNJZQKVGZSCZ-UHFFFAOYSA-N -1 0 337.763 4.234 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000013250331 211537570 /nfs/dbraw/zinc/53/75/70/211537570.db2.gz ADNPUEHRVNJMKI-GOSISDBHSA-N -1 0 331.799 4.020 50 0 EIAARM CCc1cc(=O)oc2c(C)c([O-])c(-c3ccn(-c4ccccc4)n3)cc12 ZINC000011866509 211261570 /nfs/dbraw/zinc/26/15/70/211261570.db2.gz AJENKFDCDQRTTA-UHFFFAOYSA-N -1 0 346.386 4.222 50 0 EIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(C)C ZINC000011565998 211223332 /nfs/dbraw/zinc/22/33/32/211223332.db2.gz ZFLYLQJSDCEFKL-UHFFFAOYSA-N -1 0 348.468 4.185 50 0 EIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)on1 ZINC000009228232 211054746 /nfs/dbraw/zinc/05/47/46/211054746.db2.gz IWLYTUWBLMNZNB-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CCc1cccc(CC)c1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000008987295 211026410 /nfs/dbraw/zinc/02/64/10/211026410.db2.gz LIUDDXZXUFURRG-OAQYLSRUSA-N -1 0 339.435 4.183 50 0 EIAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000006502388 210641358 /nfs/dbraw/zinc/64/13/58/210641358.db2.gz REJVCPOFOFQMRI-UHFFFAOYSA-N -1 0 341.763 4.221 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005547277 210486110 /nfs/dbraw/zinc/48/61/10/210486110.db2.gz OCMAWWJNVYIIML-UHFFFAOYSA-N -1 0 345.398 4.464 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004949536 210337327 /nfs/dbraw/zinc/33/73/27/210337327.db2.gz QKBPDVBZTVJMLY-UWVGGRQHSA-N -1 0 348.613 4.165 50 0 EIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000004809490 210282421 /nfs/dbraw/zinc/28/24/21/210282421.db2.gz RVYZLUJGXKGNSW-UHFFFAOYSA-N -1 0 339.844 4.020 50 0 EIAARM O=C([O-])c1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000004776733 210275920 /nfs/dbraw/zinc/27/59/20/210275920.db2.gz FNKLQJJPARKCQQ-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000000452436 258048096 /nfs/dbraw/zinc/04/80/96/258048096.db2.gz GUCSVCAAZUJRLD-UHFFFAOYSA-N -1 0 347.823 4.303 50 0 EIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)o1 ZINC000065003861 258062133 /nfs/dbraw/zinc/06/21/33/258062133.db2.gz LDJYMXMUUVINSL-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C)o2)s1 ZINC000065003792 258062428 /nfs/dbraw/zinc/06/24/28/258062428.db2.gz VOUJYTSIKQJWNE-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM CCc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003893 258062523 /nfs/dbraw/zinc/06/25/23/258062523.db2.gz JGODASNDXUBOBJ-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM O=C([O-])CC1(CC(=O)Oc2ccccc2N2CCCCC2)CCCC1 ZINC000000152266 135645599 /nfs/dbraw/zinc/64/55/99/135645599.db2.gz YJLACAQVHUXBIW-UHFFFAOYSA-N -1 0 345.439 4.008 50 0 EIAARM CC(C)c1nc(/C=C/c2cnc(C(C)(C)C)s2)ncc1C(=O)[O-] ZINC000169992396 528258413 /nfs/dbraw/zinc/25/84/13/528258413.db2.gz MCNNEPQWKHADIR-VOTSOKGWSA-N -1 0 331.441 4.223 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 ZINC000000129818 564012094 /nfs/dbraw/zinc/01/20/94/564012094.db2.gz QIAZRXXEOWCIJS-UHFFFAOYSA-N -1 0 327.783 4.233 50 0 EIAARM O=C([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000000168031 563249955 /nfs/dbraw/zinc/24/99/55/563249955.db2.gz FHMDTYSXDYQHMO-BJMVGYQFSA-N -1 0 333.181 4.126 50 0 EIAARM O=C([O-])c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000000031385 563211701 /nfs/dbraw/zinc/21/17/01/563211701.db2.gz LVEZEKXRACCOLZ-UHFFFAOYSA-N -1 0 331.371 4.155 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000000109871 563229229 /nfs/dbraw/zinc/22/92/29/563229229.db2.gz OHMNZXDXOKJCME-VQTJNVASSA-N -1 0 349.430 4.385 50 0 EIAARM C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000000308770 563279195 /nfs/dbraw/zinc/27/91/95/563279195.db2.gz UPIRTMMOQRPBKD-HUUCEWRRSA-N -1 0 333.435 4.485 50 0 EIAARM CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000367874 563296773 /nfs/dbraw/zinc/29/67/73/563296773.db2.gz DGFXEXFBTDKGCO-UHFFFAOYSA-N -1 0 341.407 4.090 50 0 EIAARM CCOC(=O)c1ccc(NC(=S)[N-]c2ccccc2SC)cc1 ZINC000000610673 563353692 /nfs/dbraw/zinc/35/36/92/563353692.db2.gz KPOPCIMNFLJXAU-UHFFFAOYSA-N -1 0 346.477 4.394 50 0 EIAARM Cc1cc(Br)c2nc3c(c(C(=O)[O-])c2c1)CCCCC3 ZINC000000617006 563358782 /nfs/dbraw/zinc/35/87/82/563358782.db2.gz SMLFVHZWGKWRSD-UHFFFAOYSA-N -1 0 334.213 4.273 50 0 EIAARM O=C([O-])c1ccccc1Sc1ncnc2sc3c(c21)CCC3 ZINC000003299730 563479283 /nfs/dbraw/zinc/47/92/83/563479283.db2.gz QFTBUYQYYPLHDV-UHFFFAOYSA-N -1 0 328.418 4.029 50 0 EIAARM S=c1[n-]nc(CCSCc2ccccc2)n1-c1ccccc1 ZINC000006457319 563568445 /nfs/dbraw/zinc/56/84/45/563568445.db2.gz XJTAQHQRWZHOPW-UHFFFAOYSA-N -1 0 327.478 4.406 50 0 EIAARM O=C([O-])c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000007604019 563607514 /nfs/dbraw/zinc/60/75/14/563607514.db2.gz SIMGFUMIXQOEPZ-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM O=C([O-])Cc1csc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000008024924 563619654 /nfs/dbraw/zinc/61/96/54/563619654.db2.gz WBAYETGQAPPDOC-UHFFFAOYSA-N -1 0 326.377 4.306 50 0 EIAARM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C)cc1Cl ZINC000008697866 563635719 /nfs/dbraw/zinc/63/57/19/563635719.db2.gz REXKNJBFLYAUGA-UHFFFAOYSA-N -1 0 346.839 4.306 50 0 EIAARM O=C([O-])/C=C\c1cnc(/C=C/c2cccc(Br)c2)s1 ZINC000096035416 563650316 /nfs/dbraw/zinc/65/03/16/563650316.db2.gz MOVPUKNRCQOHNI-GUBXDBFYSA-N -1 0 336.210 4.174 50 0 EIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000032717129 563699548 /nfs/dbraw/zinc/69/95/48/563699548.db2.gz JGFCHQYYPJKSJO-UHFFFAOYSA-N -1 0 341.457 4.429 50 0 EIAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@H]32)cc1 ZINC000015017250 563772986 /nfs/dbraw/zinc/77/29/86/563772986.db2.gz VUIVNIRTYXJXCX-JQFCIGGWSA-N -1 0 329.783 4.283 50 0 EIAARM CCCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000018240867 563851328 /nfs/dbraw/zinc/85/13/28/563851328.db2.gz GLPMELFJUZZADZ-UHFFFAOYSA-N -1 0 329.831 4.302 50 0 EIAARM Cc1nc(/C=C/c2c[nH]c3ccccc23)nc(-c2ccccc2[O-])n1 ZINC000030781671 563910675 /nfs/dbraw/zinc/91/06/75/563910675.db2.gz AALKBLANLNPFBS-ZHACJKMWSA-N -1 0 328.375 4.204 50 0 EIAARM COc1ccc(-n2c(Cc3c[nH]c4ccccc34)n[n-]c2=S)cc1 ZINC000033808202 563916580 /nfs/dbraw/zinc/91/65/80/563916580.db2.gz PMVVWOXBPQMCRK-UHFFFAOYSA-N -1 0 336.420 4.011 50 0 EIAARM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cnc(C(C)(C)C)s1)CC2 ZINC000078162263 563929956 /nfs/dbraw/zinc/92/99/56/563929956.db2.gz ZBSXWKVOVSUMSK-YFHOEESVSA-N -1 0 345.420 4.253 50 0 EIAARM S=c1[n-]c2c(cc(Br)cc2Br)s1 ZINC000074934305 563967088 /nfs/dbraw/zinc/96/70/88/563967088.db2.gz RIBNBUOCHKVMAZ-UHFFFAOYSA-N -1 0 325.050 4.110 50 0 EIAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2ccc(Cl)cc21 ZINC000000209299 563988464 /nfs/dbraw/zinc/98/84/64/563988464.db2.gz PYHHWEGRVRNGQT-PSLIRLAXSA-N -1 0 327.767 4.247 50 0 biogenic EIAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)c1cccs1 ZINC000000348383 563991485 /nfs/dbraw/zinc/99/14/85/563991485.db2.gz KVEUOJBTEBYFHK-UHFFFAOYSA-N -1 0 337.400 4.293 50 0 EIAARM C[C@@H](c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)C(F)(F)F ZINC000583651421 564018299 /nfs/dbraw/zinc/01/82/99/564018299.db2.gz LEQQEUPFNCPMDR-JTQLQIEISA-N -1 0 337.297 4.303 50 0 EIAARM O=c1c2c(C(F)(F)F)cc(C(F)(F)F)[n-]c-2nn1-c1ccccc1 ZINC000005731545 564024608 /nfs/dbraw/zinc/02/46/08/564024608.db2.gz QTOJRPNGXLCXCB-UHFFFAOYSA-N -1 0 347.218 4.164 50 0 EIAARM CSc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000005885683 564056841 /nfs/dbraw/zinc/05/68/41/564056841.db2.gz VHWFOGSMIKIMBM-UHFFFAOYSA-N -1 0 347.383 4.228 50 0 EIAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCCCCC1 ZINC000046053406 564065203 /nfs/dbraw/zinc/06/52/03/564065203.db2.gz CBVXBDAQLANUJC-UHFFFAOYSA-N -1 0 338.407 4.018 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2cccc3c(O)cccc23)CCCCC1 ZINC000012772188 564068959 /nfs/dbraw/zinc/06/89/59/564068959.db2.gz DJGARGZUUSPTKP-UHFFFAOYSA-N -1 0 341.407 4.299 50 0 EIAARM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000084609868 564069074 /nfs/dbraw/zinc/06/90/74/564069074.db2.gz MQVAWDFDZMMCSH-CYBMUJFWSA-N -1 0 337.206 4.071 50 0 EIAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000012909337 564077925 /nfs/dbraw/zinc/07/79/25/564077925.db2.gz XTBZBFFRKFVRKZ-UHFFFAOYSA-N -1 0 337.725 4.188 50 0 EIAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000002505693 564084077 /nfs/dbraw/zinc/08/40/77/564084077.db2.gz FYFDBWTUQWRLDK-NSHDSACASA-N -1 0 334.199 4.034 50 0 EIAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccno2)sc1C ZINC000075436378 564084720 /nfs/dbraw/zinc/08/47/20/564084720.db2.gz AYKLFPNORIBBJA-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)s2)c1C ZINC000065031378 564099791 /nfs/dbraw/zinc/09/97/91/564099791.db2.gz WYCSSCALMOAIRQ-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C(C)C ZINC000006706795 564117453 /nfs/dbraw/zinc/11/74/53/564117453.db2.gz HPWSOABFECFCKZ-UHFFFAOYSA-N -1 0 348.468 4.021 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000013261461 564117683 /nfs/dbraw/zinc/11/76/83/564117683.db2.gz SECKWVXVFOVUIC-UHFFFAOYSA-N -1 0 341.310 4.249 50 0 EIAARM O=C([O-])c1ccc(NC(=O)c2ncoc2-c2cccs2)cc1Cl ZINC000225457248 564134947 /nfs/dbraw/zinc/13/49/47/564134947.db2.gz OQPIKAZXIYUXTN-UHFFFAOYSA-N -1 0 348.767 4.007 50 0 EIAARM C[C@H](Oc1ccccc1NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000263427591 564161652 /nfs/dbraw/zinc/16/16/52/564161652.db2.gz RBKQHIGNIIKWLE-UNXYVOJBSA-N -1 0 331.334 4.072 50 0 EIAARM COc1ccc(C(C)(C)C)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008389310 564164851 /nfs/dbraw/zinc/16/48/51/564164851.db2.gz CGTKTQNXZWLCQO-UHFFFAOYSA-N -1 0 347.455 4.356 50 0 EIAARM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008735804 564167152 /nfs/dbraw/zinc/16/71/52/564167152.db2.gz RKBHKCZCGQVVDJ-UONOGXRCSA-N -1 0 335.831 4.070 50 0 EIAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000013339192 1022753576 /nfs/dbraw/zinc/75/35/76/1022753576.db2.gz SONSOTYJHQIJQV-JLHYYAGUSA-N -1 0 325.389 4.320 50 0 EIAARM O=C([O-])Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000005042015 1025239635 /nfs/dbraw/zinc/23/96/35/1025239635.db2.gz KHIARYLFTIPIKF-UHFFFAOYSA-N -1 0 339.178 4.265 50 0 EIAARM Cc1nc2sccn2c1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000032665178 1045867777 /nfs/dbraw/zinc/86/77/77/1045867777.db2.gz IPGBTVKGAVAKMS-VOTSOKGWSA-N -1 0 335.388 4.121 50 0 EIAARM CCCCOC(=O)N=c1[n-]nc(COc2ccc(C)cc2C)s1 ZINC000004695011 210251026 /nfs/dbraw/zinc/25/10/26/210251026.db2.gz ZUOQDRUEAIUJDM-UHFFFAOYSA-N -1 0 335.429 4.083 50 0 EIAARM O=C([O-])c1ccccc1CN(Cc1nccs1)Cc1ccccc1 ZINC000055393175 214316521 /nfs/dbraw/zinc/31/65/21/214316521.db2.gz MJHJUFVXOQITES-UHFFFAOYSA-N -1 0 338.432 4.044 50 0 EIAARM COc1ccccc1-c1nc(-c2ccc(C)cc2)c(CC(=O)[O-])s1 ZINC000004616468 210232226 /nfs/dbraw/zinc/23/22/26/210232226.db2.gz DBLFSOANWZXFBO-UHFFFAOYSA-N -1 0 339.416 4.421 50 0 EIAARM CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000003464540 210046734 /nfs/dbraw/zinc/04/67/34/210046734.db2.gz BMOSZJPAEIZPFD-UHFFFAOYSA-N -1 0 333.771 4.079 50 0 EIAARM CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)[O-])c1=S ZINC000003445956 210041517 /nfs/dbraw/zinc/04/15/17/210041517.db2.gz OVLBOIPEWYCAOH-UHFFFAOYSA-N -1 0 339.848 4.009 50 0 EIAARM CCCCC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)[O-] ZINC000002158359 209825175 /nfs/dbraw/zinc/82/51/75/209825175.db2.gz HRJGAHMZYHEKBI-UHFFFAOYSA-N -1 0 333.409 4.251 50 0 EIAARM Cc1ccc(-c2csc3ncnc(SCCC(=O)[O-])c23)cc1 ZINC000001465628 209751945 /nfs/dbraw/zinc/75/19/45/209751945.db2.gz RAOULLCLLOGTDA-UHFFFAOYSA-N -1 0 330.434 4.234 50 0 in-vitro EIAARM O=C([O-])c1ccc(OCc2cccc(Br)c2)c(Cl)c1 ZINC000070139867 215677568 /nfs/dbraw/zinc/67/75/68/215677568.db2.gz GYPAJNDQPKEBOX-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000035142175 213009902 /nfs/dbraw/zinc/00/99/02/213009902.db2.gz ZZMZJZDPUQHIJM-WFASDCNBSA-N -1 0 345.826 4.482 50 0 EIAARM Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000133533 209441730 /nfs/dbraw/zinc/44/17/30/209441730.db2.gz YLVWPINLMKSMQG-UHFFFAOYSA-N -1 0 341.407 4.008 50 0 EIAARM CCc1ccc(-n2[n-]c3c(c2=O)Cc2cc(Cl)ccc2O3)cc1 ZINC000021774775 212247585 /nfs/dbraw/zinc/24/75/85/212247585.db2.gz QCEYJCUXXYABBW-UHFFFAOYSA-N -1 0 326.783 4.078 50 0 EIAARM COc1ccc(Cl)cc1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000020328565 212119335 /nfs/dbraw/zinc/11/93/35/212119335.db2.gz IQJHRDCMMQNHNY-UHFFFAOYSA-N -1 0 349.799 4.104 50 0 EIAARM O=C([O-])C1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000013250253 211538167 /nfs/dbraw/zinc/53/81/67/211538167.db2.gz WLWLYSJCWFSILF-UHFFFAOYSA-N -1 0 329.318 4.069 50 0 EIAARM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000013255883 211538004 /nfs/dbraw/zinc/53/80/04/211538004.db2.gz ZEPOSZBVVLRDHG-UHFFFAOYSA-N -1 0 349.736 4.332 50 0 EIAARM Cc1nn(Cc2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012394544 211367994 /nfs/dbraw/zinc/36/79/94/211367994.db2.gz UBIZVECNPADQIV-UHFFFAOYSA-N -1 0 341.798 4.017 50 0 EIAARM Cc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(F)cc1 ZINC000009477179 211088960 /nfs/dbraw/zinc/08/89/60/211088960.db2.gz WFEXBQPYVYXWBK-UHFFFAOYSA-N -1 0 347.393 4.036 50 0 EIAARM CC(C)(C)c1ccc(C(=O)Nc2c([O-])c3ccccc3oc2=O)cc1 ZINC000006825671 210723648 /nfs/dbraw/zinc/72/36/48/210723648.db2.gz PEBMWNSJAJRSDM-UHFFFAOYSA-N -1 0 337.375 4.048 50 0 EIAARM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000005123757 210393992 /nfs/dbraw/zinc/39/39/92/210393992.db2.gz PZTHSMGDNLMKFV-SNVBAGLBSA-N -1 0 335.812 4.158 50 0 EIAARM C[P@@](=O)([O-])O[C@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F ZINC000004951985 210338277 /nfs/dbraw/zinc/33/82/77/210338277.db2.gz WNWCGGALCJSDCW-MRVPVSSYSA-N -1 0 337.061 4.296 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000004776731 210275198 /nfs/dbraw/zinc/27/51/98/210275198.db2.gz KIONZGHZKBBTFJ-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM Cc1ccc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)cc1 ZINC000524729276 257843305 /nfs/dbraw/zinc/84/33/05/257843305.db2.gz MBHFVROMFZTPMS-UHFFFAOYSA-N -1 0 334.327 4.142 50 0 EIAARM Cc1ccc2cc(NC(=O)C[C@@H](CC(=O)[O-])c3ccccc3)ccc2n1 ZINC000000152793 563246709 /nfs/dbraw/zinc/24/67/09/563246709.db2.gz WGTQIQRGBMTRIH-KRWDZBQOSA-N -1 0 348.402 4.130 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(F)c(Cl)c3)n2)cc1 ZINC000000732373 563363049 /nfs/dbraw/zinc/36/30/49/563363049.db2.gz RRFLWZIATTXXTA-UHFFFAOYSA-N -1 0 330.746 4.338 50 0 EIAARM Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)s1 ZINC000002861720 563457053 /nfs/dbraw/zinc/45/70/53/563457053.db2.gz LSEVKLHSSNTPJX-UHFFFAOYSA-N -1 0 347.421 4.031 50 0 EIAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000002872421 563459076 /nfs/dbraw/zinc/45/90/76/563459076.db2.gz PTLLWUWTPIJEON-UHFFFAOYSA-N -1 0 347.383 4.228 50 0 EIAARM O=c1c2c(-c3ccccc3)csc2[n-]c(=S)n1Cc1ccco1 ZINC000006424092 563568031 /nfs/dbraw/zinc/56/80/31/563568031.db2.gz DGEMAWXFIMKMRL-UHFFFAOYSA-N -1 0 340.429 4.429 50 0 EIAARM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013250355 563693105 /nfs/dbraw/zinc/69/31/05/563693105.db2.gz LZNSOEVYCMQQFY-GFCCVEGCSA-N -1 0 338.190 4.190 50 0 EIAARM O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013250520 563693119 /nfs/dbraw/zinc/69/31/19/563693119.db2.gz PCNTZOXPXKUZNP-AWEZNQCLSA-N -1 0 338.190 4.190 50 0 EIAARM CCc1c(C)sc2[n-]c(=S)n(CCc3ccccc3)c(=O)c12 ZINC000017067874 563832044 /nfs/dbraw/zinc/83/20/44/563832044.db2.gz YNHAFCKOVSIQNU-UHFFFAOYSA-N -1 0 330.478 4.234 50 0 EIAARM Cc1ccc(-c2nnc(SCc3ccccc3Cl)[n-]c2=O)cc1 ZINC000024747962 563874851 /nfs/dbraw/zinc/87/48/51/563874851.db2.gz XUFXGFVDWXHAEH-UHFFFAOYSA-N -1 0 343.839 4.498 50 0 EIAARM CC[C@@H](C)[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000237086 563917129 /nfs/dbraw/zinc/91/71/29/563917129.db2.gz YCUGYQJADWATHB-IAQYHMDHSA-N -1 0 341.436 4.270 50 0 EIAARM CC[C@H](C)[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)C(=O)[O-] ZINC000000237091 563917160 /nfs/dbraw/zinc/91/71/60/563917160.db2.gz YCUGYQJADWATHB-XHDPSFHLSA-N -1 0 341.436 4.270 50 0 EIAARM Cc1cc(C)cc(Nc2nccc(Nc3cccc(C(=O)[O-])c3)n2)c1 ZINC000096693881 563962219 /nfs/dbraw/zinc/96/22/19/563962219.db2.gz ADADTYJFJYNQAQ-UHFFFAOYSA-N -1 0 334.379 4.279 50 0 EIAARM Cc1c(=O)[nH]c(SCc2nccn2C(F)F)nc1-c1ccccc1 ZINC000097141243 563968299 /nfs/dbraw/zinc/96/82/99/563968299.db2.gz GASXHFNSWZXAHS-UHFFFAOYSA-N -1 0 348.378 4.042 50 0 EIAARM Clc1cccc(Cl)c1-c1nc2c(ncnc2Br)[nH]1 ZINC000095829762 563977690 /nfs/dbraw/zinc/97/76/90/563977690.db2.gz CPHQYGWOXFTDEY-UHFFFAOYSA-N -1 0 343.999 4.089 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@@H](CC2CCCCC2)[C@H]1C(=O)[O-] ZINC000221031494 563989613 /nfs/dbraw/zinc/98/96/13/563989613.db2.gz VRVLZGWUBIRQEC-GJZGRUSLSA-N -1 0 325.449 4.057 50 0 EIAARM CC(C)C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000005218852 564001145 /nfs/dbraw/zinc/00/11/45/564001145.db2.gz UKNQCZIYPBCZLB-KRWDZBQOSA-N -1 0 342.395 4.100 50 0 EIAARM O=C([O-])c1ccccc1SCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005520135 564004938 /nfs/dbraw/zinc/00/49/38/564004938.db2.gz OSDNDSJWYFQYNK-UHFFFAOYSA-N -1 0 330.449 4.262 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000335960 564012459 /nfs/dbraw/zinc/01/24/59/564012459.db2.gz KLHJWYMUYRHVIZ-VHSXEESVSA-N -1 0 349.736 4.188 50 0 EIAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000230515194 564051107 /nfs/dbraw/zinc/05/11/07/564051107.db2.gz IXIZGNIBMVWAHO-UHFFFAOYSA-N -1 0 349.452 4.024 50 0 EIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000012557285 564059358 /nfs/dbraw/zinc/05/93/58/564059358.db2.gz KQQXJVURSOJHBS-UHFFFAOYSA-N -1 0 336.265 4.473 50 0 EIAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@H]1CC=CCC1 ZINC000012600641 564060405 /nfs/dbraw/zinc/06/04/05/564060405.db2.gz FKADHCRCZAZLOX-ZDUSSCGKSA-N -1 0 327.405 4.408 50 0 EIAARM O=c1c2ccc(Cl)cc2nc(-c2ccc(Cl)c(Cl)c2)n1[O-] ZINC000001401800 564065037 /nfs/dbraw/zinc/06/50/37/564065037.db2.gz XTILEYKJFADBTD-UHFFFAOYSA-N -1 0 341.581 4.261 50 0 EIAARM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000084633016 564069194 /nfs/dbraw/zinc/06/91/94/564069194.db2.gz WGWRCVSYZNZMPH-UHFFFAOYSA-N -1 0 347.484 4.313 50 0 EIAARM S=C1N=NC(COc2ccc3ccccc3c2)N1c1ccccc1 ZINC000006534211 564091692 /nfs/dbraw/zinc/09/16/92/564091692.db2.gz CQPKEKMNCFNRKZ-UHFFFAOYSA-N -1 0 333.416 4.288 50 0 EIAARM CCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000064820272 564096594 /nfs/dbraw/zinc/09/65/94/564096594.db2.gz LVGUPDCPYVPGJG-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1CCCn1ccc2ccccc21 ZINC000007046268 564103607 /nfs/dbraw/zinc/10/36/07/564103607.db2.gz NLADFTJOGZXQPV-UHFFFAOYSA-N -1 0 335.432 4.104 50 0 EIAARM CCC[C@@H](CCC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000002376317 564133922 /nfs/dbraw/zinc/13/39/22/564133922.db2.gz YCUHFIHBHFPYSH-ZDUSSCGKSA-N -1 0 332.425 4.030 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccccc1-c1ccccc1 ZINC000095948150 564142300 /nfs/dbraw/zinc/14/23/00/564142300.db2.gz KUQHIKCLHAMVLT-UHFFFAOYSA-N -1 0 344.823 4.203 50 0 EIAARM Cc1nc(C)c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)o1 ZINC000095979657 564143668 /nfs/dbraw/zinc/14/36/68/564143668.db2.gz NYOZCYGHDJTCEB-UHFFFAOYSA-N -1 0 335.574 4.210 50 0 EIAARM CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1 ZINC000002778196 564152588 /nfs/dbraw/zinc/15/25/88/564152588.db2.gz VWZMDQDLDZLAKP-UHFFFAOYSA-N -1 0 349.312 4.237 50 0 EIAARM CCCCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000002976518 564153963 /nfs/dbraw/zinc/15/39/63/564153963.db2.gz QEGIVXSGDYRTAG-UHFFFAOYSA-N -1 0 336.457 4.047 50 0 EIAARM O=C([O-])c1cc(-c2cccc(F)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000015677211 564156693 /nfs/dbraw/zinc/15/66/93/564156693.db2.gz LWJUHZGGXQERRI-UHFFFAOYSA-N -1 0 333.322 4.129 50 0 EIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(F)c2)cc1 ZINC000004689638 210249707 /nfs/dbraw/zinc/24/97/07/210249707.db2.gz KUDVRPHLPDRQDZ-QGZVFWFLSA-N -1 0 343.398 4.069 50 0 EIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1 ZINC000065031139 214823750 /nfs/dbraw/zinc/82/37/50/214823750.db2.gz OXQJOBHVBWQFFP-UHFFFAOYSA-N -1 0 348.449 4.327 50 0 EIAARM O=C([O-])C[C@H](c1cccc2ccccc21)N1Cc2ccccc2C1=O ZINC000004014627 210100050 /nfs/dbraw/zinc/10/00/50/210100050.db2.gz RBFUKUAUBFQAIK-LJQANCHMSA-N -1 0 331.371 4.012 50 0 EIAARM COc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1OC ZINC000002526073 209863224 /nfs/dbraw/zinc/86/32/24/209863224.db2.gz HMCBEZZOEOXKJK-UHFFFAOYSA-N -1 0 343.766 4.271 50 0 EIAARM CCCCc1c(C)nc2c(OC)cccc2c1SCCC(=O)[O-] ZINC000001833606 209798080 /nfs/dbraw/zinc/79/80/80/209798080.db2.gz GPKRRCPYXLBTHM-UHFFFAOYSA-N -1 0 333.453 4.461 50 0 EIAARM COC(=O)N=c1[n-]nc(COc2ccc(C3CCCCC3)cc2)s1 ZINC000000620388 209683148 /nfs/dbraw/zinc/68/31/48/209683148.db2.gz LRMVWMNTROYRPX-UHFFFAOYSA-N -1 0 347.440 4.343 50 0 EIAARM C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(=O)[O-])C1 ZINC000000091501 209415287 /nfs/dbraw/zinc/41/52/87/209415287.db2.gz NTEUUFPJLRNUGN-STUBTGCMSA-N -1 0 347.461 4.285 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000000049610 209390454 /nfs/dbraw/zinc/39/04/54/209390454.db2.gz FKGMRMZWDUIXMG-IUODEOHRSA-N -1 0 345.826 4.482 50 0 EIAARM CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000027641234 212570307 /nfs/dbraw/zinc/57/03/07/212570307.db2.gz YRFLKMLJQWGIIZ-LVJWDHJUSA-N -1 0 338.488 4.072 50 0 in-vitro EIAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000027640133 212569977 /nfs/dbraw/zinc/56/99/77/212569977.db2.gz CTHZICXYLKQMKI-FOSBLDSVSA-N -1 0 336.472 4.280 50 0 in-vitro EIAARM Cc1ccc2sc(/C=C/c3ccc(OCC(=O)[O-])cc3)nc2c1 ZINC000021334314 212220585 /nfs/dbraw/zinc/22/05/85/212220585.db2.gz ZZAWFJYKAUFKJZ-WEVVVXLNSA-N -1 0 325.389 4.239 50 0 EIAARM O=C([O-])c1ccccc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000020714538 212162529 /nfs/dbraw/zinc/16/25/29/212162529.db2.gz JSCAVJDPYRXOGY-UHFFFAOYSA-N -1 0 346.795 4.381 50 0 EIAARM Cc1ccc(-c2cc(NC(=O)C(C)(C)C)cc(C(=O)[O-])c2)c(F)c1 ZINC000077024681 216834957 /nfs/dbraw/zinc/83/49/57/216834957.db2.gz AVHCJYFSACDEGD-UHFFFAOYSA-N -1 0 329.371 4.484 50 0 EIAARM O=S(=O)([N-]c1ccccc1-c1cccs1)c1cccc(F)c1 ZINC000010512194 211178670 /nfs/dbraw/zinc/17/86/70/211178670.db2.gz SIJVZITYGFADCS-UHFFFAOYSA-N -1 0 333.409 4.355 50 0 EIAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1Cl ZINC000009190762 211049755 /nfs/dbraw/zinc/04/97/55/211049755.db2.gz ZZZHHAILVNIWDS-UHFFFAOYSA-N -1 0 338.798 4.007 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@@H](CC(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000004977239 210346855 /nfs/dbraw/zinc/34/68/55/210346855.db2.gz BEZCBONOOWRFHY-WBVHZDCISA-N -1 0 325.408 4.137 50 0 EIAARM Cc1cccc(-c2ccc(C(=O)[O-])c(N(C)Cc3ccccc3)n2)c1 ZINC000299777025 258087168 /nfs/dbraw/zinc/08/71/68/258087168.db2.gz HTJKXFMVVDWTEF-UHFFFAOYSA-N -1 0 332.403 4.392 50 0 EIAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000000079599 563218313 /nfs/dbraw/zinc/21/83/13/563218313.db2.gz AXTSTYDSFNQYDT-NSHDSACASA-N -1 0 342.489 4.294 50 0 EIAARM CC(C)(C)c1cc(C(=O)[O-])n(Cc2ccc(Cl)cc2Cl)n1 ZINC000000128351 563237589 /nfs/dbraw/zinc/23/75/89/563237589.db2.gz VQNZMDMWUNBVGO-UHFFFAOYSA-N -1 0 327.211 4.234 50 0 EIAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1Cl ZINC000000137070 563240769 /nfs/dbraw/zinc/24/07/69/563240769.db2.gz DDXHUKKFOWCFKU-PBHICJAKSA-N -1 0 335.831 4.037 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000153461 563247092 /nfs/dbraw/zinc/24/70/92/563247092.db2.gz BDWDJDAQUSMMIO-KBPBESRZSA-N -1 0 337.158 4.073 50 0 EIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000000310337 563280311 /nfs/dbraw/zinc/28/03/11/563280311.db2.gz YIXBIIOVOSPJEN-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000000353647 563290502 /nfs/dbraw/zinc/29/05/02/563290502.db2.gz DQLHOGMKHODOSV-UHFFFAOYSA-N -1 0 339.844 4.144 50 0 EIAARM Cc1sc(C(=O)Nc2ccc3ccccc3c2)cc1CC(=O)[O-] ZINC000000403668 563306389 /nfs/dbraw/zinc/30/63/89/563306389.db2.gz VYXMAWNVLKCEAC-UHFFFAOYSA-N -1 0 325.389 4.089 50 0 EIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)CCCCC3 ZINC000001248416 563381369 /nfs/dbraw/zinc/38/13/69/563381369.db2.gz HBAIXEBNGLFMGN-UHFFFAOYSA-N -1 0 342.489 4.438 50 0 EIAARM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000003066130 563470535 /nfs/dbraw/zinc/47/05/35/563470535.db2.gz JTZMRWDUZKEHPQ-UHFFFAOYSA-N -1 0 341.432 4.428 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(Cl)c(Cl)c1 ZINC000017070829 563833466 /nfs/dbraw/zinc/83/34/66/563833466.db2.gz HLBYRFMXYIEOGQ-UHFFFAOYSA-N -1 0 337.231 4.040 50 0 EIAARM CCc1c(C)sc2[n-]c(=S)n(Cc3ccc(OC)cc3)c(=O)c21 ZINC000017072159 563835652 /nfs/dbraw/zinc/83/56/52/563835652.db2.gz PELWEVAIBSPGDG-UHFFFAOYSA-N -1 0 346.477 4.048 50 0 EIAARM O=c1nc(CSc2ccc(F)c(Cl)c2)[n-]c2ccsc21 ZINC000024848865 563876925 /nfs/dbraw/zinc/87/69/25/563876925.db2.gz OUYZBTMTROGPKE-UHFFFAOYSA-N -1 0 326.805 4.069 50 0 EIAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000028248293 563901833 /nfs/dbraw/zinc/90/18/33/563901833.db2.gz BOISCZATHVRPPQ-UHFFFAOYSA-N -1 0 338.841 4.059 50 0 EIAARM Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)[O-])o2)n1 ZINC000002885384 563918687 /nfs/dbraw/zinc/91/86/87/563918687.db2.gz BGDDHMHJHBCPSA-UHFFFAOYSA-N -1 0 326.377 4.036 50 0 EIAARM O=C([O-])/C=C/c1cnc(/C=C/c2cccc(Br)c2)s1 ZINC000072312326 563929265 /nfs/dbraw/zinc/92/92/65/563929265.db2.gz MOVPUKNRCQOHNI-YDFGWWAZSA-N -1 0 336.210 4.174 50 0 EIAARM Cc1[nH]c2ccccc2c1CCn1ccnc1-c1ccccc1C(=O)[O-] ZINC000071439633 563964411 /nfs/dbraw/zinc/96/44/11/563964411.db2.gz UQJYVBCAAKMPES-UHFFFAOYSA-N -1 0 345.402 4.281 50 0 EIAARM [O-]c1c(Br)cccc1-c1csc(-c2cccnc2)n1 ZINC000096171238 563980049 /nfs/dbraw/zinc/98/00/49/563980049.db2.gz SFOABOKCEWEEHX-UHFFFAOYSA-N -1 0 333.210 4.340 50 0 EIAARM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000000109671 563986547 /nfs/dbraw/zinc/98/65/47/563986547.db2.gz FZVBTNKDPWXQCI-SFHVURJKSA-N -1 0 339.435 4.238 50 0 EIAARM O=C([O-])CCOc1cccc(/C=C/c2nc3ccccc3s2)c1 ZINC000034214567 564004071 /nfs/dbraw/zinc/00/40/71/564004071.db2.gz VARBPQGONSYEIA-CMDGGOBGSA-N -1 0 325.389 4.320 50 0 EIAARM CCOc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)n2)cc1C(C)C ZINC000006706898 564014939 /nfs/dbraw/zinc/01/49/39/564014939.db2.gz MUNQETFEWZPPFK-UHFFFAOYSA-N -1 0 348.468 4.021 50 0 EIAARM C[C@H](c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1)C(F)(F)F ZINC000583651422 564018306 /nfs/dbraw/zinc/01/83/06/564018306.db2.gz LEQQEUPFNCPMDR-SNVBAGLBSA-N -1 0 337.297 4.303 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053308 564029380 /nfs/dbraw/zinc/02/93/80/564029380.db2.gz HBSSXVGFHHDIEL-UHFFFAOYSA-N -1 0 344.386 4.013 50 0 EIAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000230514747 564051105 /nfs/dbraw/zinc/05/11/05/564051105.db2.gz LQUUNKTXHCYDQN-UHFFFAOYSA-N -1 0 349.452 4.024 50 0 EIAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)cc1OC ZINC000001459174 564072974 /nfs/dbraw/zinc/07/29/74/564072974.db2.gz HYUGUHNJRYQLAY-UHFFFAOYSA-N -1 0 337.375 4.234 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2cccc(C)c2)c(C(=O)[O-])c1 ZINC000064588855 564092529 /nfs/dbraw/zinc/09/25/29/564092529.db2.gz CHRIWFPMXRWZED-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031130 564099803 /nfs/dbraw/zinc/09/98/03/564099803.db2.gz SULJKTQRTPNMAM-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM Cc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)cc1 ZINC000065323306 564105265 /nfs/dbraw/zinc/10/52/65/564105265.db2.gz GCMPCRIXYWSEHJ-UHFFFAOYSA-N -1 0 344.374 4.147 50 0 EIAARM CCC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2sc1=O ZINC000005485689 564111747 /nfs/dbraw/zinc/11/17/47/564111747.db2.gz NSPGHQXOPUYSBM-INIZCTEOSA-N -1 0 338.428 4.468 50 0 EIAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(Cl)ccc1O ZINC000252474290 564118908 /nfs/dbraw/zinc/11/89/08/564118908.db2.gz AJHUVGVFFBFUDD-UHFFFAOYSA-N -1 0 339.178 4.233 50 0 EIAARM COc1ccc2nc(-c3ccccc3)cc(S[C@@H](C)C(=O)[O-])c2c1 ZINC000057312190 564153553 /nfs/dbraw/zinc/15/35/53/564153553.db2.gz KERCCIFRSLBUIE-LBPRGKRZSA-N -1 0 339.416 4.476 50 0 EIAARM O=C([O-])c1cc2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2[nH]1 ZINC000044126950 564177693 /nfs/dbraw/zinc/17/76/93/564177693.db2.gz FSFCPHYWSUCKBO-UHFFFAOYSA-N -1 0 347.733 4.303 50 0 EIAARM Cc1cc(=O)n(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)[n-]1 ZINC000006556537 1026139219 /nfs/dbraw/zinc/13/92/19/1026139219.db2.gz MTKMURLUJHAMEV-UHFFFAOYSA-N -1 0 328.375 4.010 50 0 EIAARM CSC(=S)[N-]P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000006182738 1028309182 /nfs/dbraw/zinc/30/91/82/1028309182.db2.gz YNPFSJVJGMGTHO-UHFFFAOYSA-N -1 0 339.378 4.490 50 0 EIAARM O=C([O-])C1CCC(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CC1 ZINC000630294623 1048866996 /nfs/dbraw/zinc/86/69/96/1048866996.db2.gz LLONWVROPYSGEG-TVPLGVNVSA-N -1 0 349.430 4.056 50 0 EIAARM O=C([O-])/C(=C\c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1 ZINC000012580226 1055822131 /nfs/dbraw/zinc/82/21/31/1055822131.db2.gz ZZBHTBXYGCYFJQ-XNTDXEJSSA-N -1 0 347.823 4.137 50 0 EIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)c(OC)c1 ZINC000004652001 210238278 /nfs/dbraw/zinc/23/82/78/210238278.db2.gz DRWDTCILDCOKDT-UHFFFAOYSA-N -1 0 337.375 4.234 50 0 EIAARM COc1ccccc1-n1[n-]c(C)c(Cc2ccccc2Cl)c1=O ZINC000100139209 219092078 /nfs/dbraw/zinc/09/20/78/219092078.db2.gz DGUMREMJGBSUDH-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM COc1ccc2sc([N-]c3nnc(-c4cccs4)o3)nc2c1 ZINC000004359837 210179952 /nfs/dbraw/zinc/17/99/52/210179952.db2.gz YWRZOLWSMZEWMF-UHFFFAOYSA-N -1 0 330.394 4.160 50 0 EIAARM O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(F)c(F)c2)S1 ZINC000004050229 210107976 /nfs/dbraw/zinc/10/79/76/210107976.db2.gz PSOBQTLPAISQGD-VGOFMYFVSA-N -1 0 333.315 4.081 50 0 EIAARM O=C([O-])C[C@@H](c1cccc2ccccc21)N1Cc2ccccc2C1=O ZINC000004014628 210099953 /nfs/dbraw/zinc/09/99/53/210099953.db2.gz RBFUKUAUBFQAIK-IBGZPJMESA-N -1 0 331.371 4.012 50 0 EIAARM O=C([O-])c1ccc(-c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC000002633425 209878575 /nfs/dbraw/zinc/87/85/75/209878575.db2.gz YSLVSHXCUREOBY-UHFFFAOYSA-N -1 0 348.383 4.017 50 0 EIAARM O=C([O-])/C=C/c1cc(Br)c(-c2ccc(Cl)cc2)o1 ZINC000040544673 213345724 /nfs/dbraw/zinc/34/57/24/213345724.db2.gz KYPUHEFGJOFWLU-AATRIKPKSA-N -1 0 327.561 4.460 50 0 EIAARM O=c1cc([O-])c2sc3nc4c(c(-c5ccccc5)c3c2[nH]1)CCCC4 ZINC000039932547 213243490 /nfs/dbraw/zinc/24/34/90/213243490.db2.gz VTDNPWKZDWSDGD-UHFFFAOYSA-N -1 0 348.427 4.389 50 0 EIAARM COc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360464 213022733 /nfs/dbraw/zinc/02/27/33/213022733.db2.gz OCCRAOGGTJCSKO-ZYSHUDEJSA-N -1 0 339.391 4.028 50 0 EIAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 ZINC000071765534 215822123 /nfs/dbraw/zinc/82/21/23/215822123.db2.gz DPRQSYSJINPNGY-QFIPXVFZSA-N -1 0 346.430 4.149 50 0 EIAARM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000071911635 215957053 /nfs/dbraw/zinc/95/70/53/215957053.db2.gz GFJYBDAOPRKCCK-UHFFFAOYSA-N -1 0 341.392 4.010 50 0 EIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1OCC ZINC000000205276 209483356 /nfs/dbraw/zinc/48/33/56/209483356.db2.gz SJLCOXCDYDYDPF-UHFFFAOYSA-N -1 0 337.375 4.397 50 0 EIAARM Cc1ccc(C(=O)[O-])cc1Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000000151333 209454801 /nfs/dbraw/zinc/45/48/01/209454801.db2.gz DBZCYDMLYUHIAT-UHFFFAOYSA-N -1 0 347.296 4.399 50 0 EIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](C(C)C)SC(C)=N2 ZINC000072402927 216195243 /nfs/dbraw/zinc/19/52/43/216195243.db2.gz NNNIRAMHFXEIFD-OAHLLOKOSA-N -1 0 329.425 4.373 50 0 EIAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000000070038 209399107 /nfs/dbraw/zinc/39/91/07/209399107.db2.gz HOSRWXXLRWQPPH-SFHVURJKSA-N -1 0 341.451 4.346 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000000049609 209390896 /nfs/dbraw/zinc/39/08/96/209390896.db2.gz FKGMRMZWDUIXMG-DOMZBBRYSA-N -1 0 345.826 4.482 50 0 EIAARM CCOc1ccc(C(=O)C[C@H](Sc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000044800 209387863 /nfs/dbraw/zinc/38/78/63/209387863.db2.gz OUFNCLQTZLIOIN-SFHVURJKSA-N -1 0 344.432 4.212 50 0 EIAARM O=C([O-])CCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000025761644 212496305 /nfs/dbraw/zinc/49/63/05/212496305.db2.gz VMLJRLMYIOMLFC-UHFFFAOYSA-N -1 0 326.783 4.210 50 0 EIAARM C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(CC(=O)[O-])=CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000245240793 243100708 /nfs/dbraw/zinc/10/07/08/243100708.db2.gz SVLVKYHISIXPST-FIFVOOHXSA-N -1 0 332.484 4.401 50 0 EIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000014632596 211749383 /nfs/dbraw/zinc/74/93/83/211749383.db2.gz ZWLSFMKIYINIHZ-QGZVFWFLSA-N -1 0 341.407 4.394 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])c3cnn(-c4ccccc4F)c3n2)cc1 ZINC000012396011 211368266 /nfs/dbraw/zinc/36/82/66/211368266.db2.gz XPPIMQCYNPKSOD-UHFFFAOYSA-N -1 0 347.349 4.233 50 0 EIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1 ZINC000012401073 211367572 /nfs/dbraw/zinc/36/75/72/211367572.db2.gz UHVLEDPNVXMXSC-QGZVFWFLSA-N -1 0 331.456 4.196 50 0 EIAARM O=C([O-])[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000011864239 211259115 /nfs/dbraw/zinc/25/91/15/211259115.db2.gz HWJSUJJXYKYGKB-ZDUSSCGKSA-N -1 0 341.588 4.307 50 0 EIAARM COc1cc(C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000011860110 211258885 /nfs/dbraw/zinc/25/88/85/211258885.db2.gz BHUPXSQDWPTCQD-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1F ZINC000009496976 211091438 /nfs/dbraw/zinc/09/14/38/211091438.db2.gz KOTLTEPXZQGFOR-XYOKQWHBSA-N -1 0 343.379 4.459 50 0 EIAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1 ZINC000005127090 210395000 /nfs/dbraw/zinc/39/50/00/210395000.db2.gz XGIGWNJGNLCHCI-UHFFFAOYSA-N -1 0 341.379 4.212 50 0 EIAARM Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)[O-])c1 ZINC000005024787 210365274 /nfs/dbraw/zinc/36/52/74/210365274.db2.gz OGHQNPAFVHRSDJ-UHFFFAOYSA-N -1 0 345.398 4.464 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000004893678 210314694 /nfs/dbraw/zinc/31/46/94/210314694.db2.gz VDBPMDLICMFYOB-UONOGXRCSA-N -1 0 342.222 4.379 50 0 EIAARM O=c1nc[n-]c2c3c4c(c(C5CCCCC5)nc3sc21)CCC4 ZINC000031813832 258058392 /nfs/dbraw/zinc/05/83/92/258058392.db2.gz JIOQWBOAGNWGGR-UHFFFAOYSA-N -1 0 325.437 4.069 50 0 EIAARM C[C@@H]1C[C@H](C)CN(c2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000013647919 135701957 /nfs/dbraw/zinc/70/19/57/135701957.db2.gz UPIRTMMOQRPBKD-GASCZTMLSA-N -1 0 333.435 4.485 50 0 EIAARM COc1ccccc1-c1cc(=O)n2[n-]c(C)c(-c3ccc(F)cc3)c2n1 ZINC000226851876 536970445 /nfs/dbraw/zinc/97/04/45/536970445.db2.gz KJRHZHRXCGHLFG-UHFFFAOYSA-N -1 0 349.365 4.225 50 0 EIAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007056190 564103949 /nfs/dbraw/zinc/10/39/49/564103949.db2.gz ZFOCMFFNUGYQNI-UHFFFAOYSA-N -1 0 327.808 4.403 50 0 EIAARM CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000000469938 563330657 /nfs/dbraw/zinc/33/06/57/563330657.db2.gz ADKSPVCEFKPQNP-CYBMUJFWSA-N -1 0 341.407 4.224 50 0 EIAARM CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 ZINC000000529351 563342115 /nfs/dbraw/zinc/34/21/15/563342115.db2.gz GBIIQBKRPLJQKS-UHFFFAOYSA-N -1 0 339.844 4.020 50 0 EIAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1cccs1 ZINC000000798308 563363697 /nfs/dbraw/zinc/36/36/97/563363697.db2.gz DLBBXJQPKIEORI-UHFFFAOYSA-N -1 0 329.402 4.427 50 0 EIAARM CC(C)CC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002306238 563429012 /nfs/dbraw/zinc/42/90/12/563429012.db2.gz MRYJNXLXQXZWQO-OLZOCXBDSA-N -1 0 325.836 4.442 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000003055146 563631218 /nfs/dbraw/zinc/63/12/18/563631218.db2.gz INHJENBPAUBZII-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000013042019 563686318 /nfs/dbraw/zinc/68/63/18/563686318.db2.gz VATZLINWOJIQNN-UHFFFAOYSA-N -1 0 329.343 4.028 50 0 EIAARM O=C([O-])c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 ZINC000013166506 563691657 /nfs/dbraw/zinc/69/16/57/563691657.db2.gz HGXLSGGYSLEOIK-UHFFFAOYSA-N -1 0 345.354 4.261 50 0 EIAARM O=C([O-])CSc1ccc(Br)c2cccc(Cl)c12 ZINC000000292546 563839928 /nfs/dbraw/zinc/83/99/28/563839928.db2.gz OIRJMYHBXQNNLA-UHFFFAOYSA-N -1 0 331.618 4.432 50 0 EIAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN(c2ccc3ccccc3n2)C1 ZINC000071765533 563965537 /nfs/dbraw/zinc/96/55/37/563965537.db2.gz DPRQSYSJINPNGY-JOCHJYFZSA-N -1 0 346.430 4.149 50 0 EIAARM CCOc1cc(CNc2cc(C(=O)[O-])ccc2C)ccc1OC(C)C ZINC000076275740 563967843 /nfs/dbraw/zinc/96/78/43/563967843.db2.gz XAFTVTIJODFBCX-UHFFFAOYSA-N -1 0 343.423 4.491 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000393492 563996161 /nfs/dbraw/zinc/99/61/61/563996161.db2.gz ORHVEVGCWUVFNC-ROUUACIJSA-N -1 0 335.488 4.371 50 0 EIAARM Cc1cc(-c2ccccc2)nc(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000005256978 564001551 /nfs/dbraw/zinc/00/15/51/564001551.db2.gz UFEIWPLHGOHKFM-QGZVFWFLSA-N -1 0 336.416 4.370 50 0 EIAARM CCCc1nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c(=O)c1Cl ZINC000018240683 564018916 /nfs/dbraw/zinc/01/89/16/564018916.db2.gz KAOVCGUMTSUALW-UHFFFAOYSA-N -1 0 331.803 4.025 50 0 EIAARM CCc1cc2c(nc(C(C)C)nc2Nc2cccc(C(=O)[O-])c2)s1 ZINC000014904513 564033122 /nfs/dbraw/zinc/03/31/22/564033122.db2.gz JQSNRBBHZMNTEX-UHFFFAOYSA-N -1 0 341.436 4.241 50 0 EIAARM CCOc1ccccc1[C@@H](Nc1cccc(Cl)c1)[P@@](=O)([O-])O ZINC000024769607 564033688 /nfs/dbraw/zinc/03/36/88/564033688.db2.gz SUSIDICMJPCVMH-HNNXBMFYSA-N -1 0 341.731 4.027 50 0 EIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000007056451 564034061 /nfs/dbraw/zinc/03/40/61/564034061.db2.gz MNJQJRJMYTZPDW-ZDUSSCGKSA-N -1 0 349.452 4.018 50 0 EIAARM COc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000222354222 564036803 /nfs/dbraw/zinc/03/68/03/564036803.db2.gz OCCRAOGGTJCSKO-ATZDWAIDSA-N -1 0 339.391 4.028 50 0 EIAARM COc1ccc(-c2ccc(OC[C@@H]3C[C@H]3C(=O)[O-])cc2)c2cccnc12 ZINC000534638588 564061370 /nfs/dbraw/zinc/06/13/70/564061370.db2.gz JVSLYDPKHMNILW-KBXCAEBGSA-N -1 0 349.386 4.010 50 0 EIAARM O=c1oc2cc([O-])ccc2cc1-c1nc2c(s1)CCc1ccccc1-2 ZINC000000379072 564075890 /nfs/dbraw/zinc/07/58/90/564075890.db2.gz XQPOWFAQGLPBMX-UHFFFAOYSA-N -1 0 347.395 4.388 50 0 aggregator EIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC000075351853 564082031 /nfs/dbraw/zinc/08/20/31/564082031.db2.gz GCVJZVQQBYAIQS-UHFFFAOYSA-N -1 0 347.465 4.062 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000521394048 564090894 /nfs/dbraw/zinc/09/08/94/564090894.db2.gz MRMUMGALEMXGBE-UHFFFAOYSA-N -1 0 337.297 4.132 50 0 EIAARM Cc1nn(-c2cccc(C)c2)c2nc(-c3cccs3)cc(C(=O)[O-])c12 ZINC000006860669 564099778 /nfs/dbraw/zinc/09/97/78/564099778.db2.gz PBZXIZFRCFFCPV-UHFFFAOYSA-N -1 0 349.415 4.464 50 0 EIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccsc3)no2)cc1C ZINC000065153428 564102057 /nfs/dbraw/zinc/10/20/57/564102057.db2.gz LODLQTCMWPCLGL-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CC(C)c1ncc(C(=O)Nc2nc(-c3ccsc3)ns2)s1 ZINC000095430953 564140364 /nfs/dbraw/zinc/14/03/64/564140364.db2.gz PZYSTQIABTZBEU-UHFFFAOYSA-N -1 0 336.467 4.099 50 0 EIAARM O=C([O-])c1cnc(/C=C\c2csc(-c3ccc(F)cc3)n2)s1 ZINC000096402160 564147135 /nfs/dbraw/zinc/14/71/35/564147135.db2.gz GPWZOLTYRDWDKZ-WAYWQWQTSA-N -1 0 332.381 4.274 50 0 EIAARM O=C([O-])c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1 ZINC000002501571 564150050 /nfs/dbraw/zinc/15/00/50/564150050.db2.gz YBUUIBNBZXTVJK-UHFFFAOYSA-N -1 0 331.324 4.098 50 0 EIAARM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc2[nH]1 ZINC000031721851 564159709 /nfs/dbraw/zinc/15/97/09/564159709.db2.gz SJWLYWZFXRKITA-UHFFFAOYSA-N -1 0 334.828 4.239 50 0 EIAARM CCCC[C@@H]1C(=O)CC[C@@H]2[C@@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]21 ZINC000008716760 564166680 /nfs/dbraw/zinc/16/66/80/564166680.db2.gz CGCZPIJMGKLVTQ-RKUQIFMASA-N -1 0 334.456 4.178 50 0 in-man EIAARM CC(=O)Nc1ccc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc1 ZINC000095972659 1031123551 /nfs/dbraw/zinc/12/35/51/1031123551.db2.gz SLJIWBBCNFAACO-RUDMXATFSA-N -1 0 332.359 4.062 50 0 EIAARM O=C([O-])c1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1Cl ZINC000585091909 1033550396 /nfs/dbraw/zinc/55/03/96/1033550396.db2.gz FOMONZDAKCSXEA-GFCCVEGCSA-N -1 0 332.783 4.121 50 0 EIAARM O=C([O-])/C=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000951723433 1049671272 /nfs/dbraw/zinc/67/12/72/1049671272.db2.gz DRSCJNKNMHGMOI-UTCJRWHESA-N -1 0 327.561 4.460 50 0 EIAARM O=C([O-])c1ccccc1Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000055104258 214273762 /nfs/dbraw/zinc/27/37/62/214273762.db2.gz POMWYOUFACGJBB-UHFFFAOYSA-N -1 0 338.407 4.191 50 0 EIAARM CCN(CC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000058065162 214476038 /nfs/dbraw/zinc/47/60/38/214476038.db2.gz NUALUFQFYVNSQX-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000004554166 210220442 /nfs/dbraw/zinc/22/04/42/210220442.db2.gz ROXPXIRBZRKPJV-AWEZNQCLSA-N -1 0 338.190 4.132 50 0 EIAARM COc1ccc(-n2[n-]c(C)c(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000100139181 219092739 /nfs/dbraw/zinc/09/27/39/219092739.db2.gz JAFMAHQZRNRAOE-UHFFFAOYSA-N -1 0 328.799 4.139 50 0 EIAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1C[C@@H]1CCCO1 ZINC000065394497 214886294 /nfs/dbraw/zinc/88/62/94/214886294.db2.gz XGTJFANUFSFSNO-INIZCTEOSA-N -1 0 348.402 4.094 50 0 EIAARM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000004042981 210107436 /nfs/dbraw/zinc/10/74/36/210107436.db2.gz BXUDTPJQXZXHND-UHFFFAOYSA-N -1 0 348.354 4.450 50 0 biogenic EIAARM CC(C)c1nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2s1 ZINC000066873821 215087978 /nfs/dbraw/zinc/08/79/78/215087978.db2.gz IYDOZQULOOTLAB-CHWSQXEVSA-N -1 0 344.436 4.025 50 0 EIAARM CC(C)c1nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2s1 ZINC000066873816 215088947 /nfs/dbraw/zinc/08/89/47/215088947.db2.gz IYDOZQULOOTLAB-OLZOCXBDSA-N -1 0 344.436 4.025 50 0 EIAARM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000003329505 210009959 /nfs/dbraw/zinc/00/99/59/210009959.db2.gz QWKIZJOJDFZZLR-UHFFFAOYSA-N -1 0 339.844 4.144 50 0 EIAARM CCCCOC(=O)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000002912526 209940637 /nfs/dbraw/zinc/94/06/37/209940637.db2.gz GJDNHSKMTWUSHC-UHFFFAOYSA-N -1 0 325.821 4.131 50 0 EIAARM O=C([O-])c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000040443188 213305599 /nfs/dbraw/zinc/30/55/99/213305599.db2.gz LZOJLNTZKLHBJS-UHFFFAOYSA-N -1 0 343.688 4.309 50 0 EIAARM Cc1c(NC(=O)CSCc2ccccc2Cl)cccc1C(=O)[O-] ZINC000001124909 209711151 /nfs/dbraw/zinc/71/11/51/209711151.db2.gz ZJLXTMMSEXZXHE-UHFFFAOYSA-N -1 0 349.839 4.219 50 0 EIAARM COc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000000554471 209661261 /nfs/dbraw/zinc/66/12/61/209661261.db2.gz YGYVVBIUHRODRB-UHFFFAOYSA-N -1 0 347.370 4.313 50 0 EIAARM O=C([O-])CC1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 ZINC000000532814 209652745 /nfs/dbraw/zinc/65/27/45/209652745.db2.gz QTMYKILJKZLUQH-UHFFFAOYSA-N -1 0 329.318 4.069 50 0 EIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cccc(O)c1 ZINC000000226974 209496288 /nfs/dbraw/zinc/49/62/88/209496288.db2.gz IFANMHNUPMDDBO-UHFFFAOYSA-N -1 0 333.343 4.010 50 0 biogenic EIAARM CC1(C)[C@H](C(=O)Nc2ccc3ccccc3c2)CC[C@@]1(C)C(=O)[O-] ZINC000000190250 209474127 /nfs/dbraw/zinc/47/41/27/209474127.db2.gz CLINVXMMKYZOKG-JXFKEZNVSA-N -1 0 325.408 4.305 50 0 EIAARM O=C([O-])[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl ZINC000000137068 209442810 /nfs/dbraw/zinc/44/28/10/209442810.db2.gz DDXHUKKFOWCFKU-WMLDXEAASA-N -1 0 335.831 4.037 50 0 EIAARM COc1ccc(-c2nn(-c3ccc(Br)cc3)cc2[O-])cc1 ZINC000215851117 241150530 /nfs/dbraw/zinc/15/05/30/241150530.db2.gz HSWFBPLEAQDMQZ-UHFFFAOYSA-N -1 0 345.196 4.016 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cnn21 ZINC000020605629 212153586 /nfs/dbraw/zinc/15/35/86/212153586.db2.gz IXSFFWVOPBBETG-UHFFFAOYSA-N -1 0 342.569 4.055 50 0 EIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000012527472 211398470 /nfs/dbraw/zinc/39/84/70/211398470.db2.gz OVBSAYPHQAZYBL-UHFFFAOYSA-N -1 0 346.839 4.306 50 0 EIAARM Cc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000008844007 211010993 /nfs/dbraw/zinc/01/09/93/211010993.db2.gz VIIFUCABUBHGHQ-UHFFFAOYSA-N -1 0 327.693 4.083 50 0 EIAARM CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000006502328 210642084 /nfs/dbraw/zinc/64/20/84/210642084.db2.gz QBDFSLJIFSOPSE-LBPRGKRZSA-N -1 0 347.436 4.008 50 0 EIAARM O=C([O-])c1cc2cc(NC(=O)c3ccc4ncccc4c3)ccc2s1 ZINC000097035857 218924093 /nfs/dbraw/zinc/92/40/93/218924093.db2.gz AOUGLMUBMWVDCK-UHFFFAOYSA-N -1 0 348.383 4.400 50 0 EIAARM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000029010825 524921927 /nfs/dbraw/zinc/92/19/27/524921927.db2.gz WKESLHLKYOXSTN-AWEZNQCLSA-N -1 0 343.423 4.425 50 0 EIAARM O=C([O-])CSc1ccc(C(=O)/C=C\c2ccccc2F)cc1F ZINC000096765784 527621095 /nfs/dbraw/zinc/62/10/95/527621095.db2.gz VWBZQPBBOIAZRH-ALCCZGGFSA-N -1 0 334.343 4.038 50 0 EIAARM CC(C)(C)c1ccc(C(=O)Oc2ccccc2CCC(=O)[O-])cc1 ZINC000000101919 563226319 /nfs/dbraw/zinc/22/63/19/563226319.db2.gz LKKIKBIQZUMHCU-UHFFFAOYSA-N -1 0 326.392 4.221 50 0 EIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000137583 563241268 /nfs/dbraw/zinc/24/12/68/563241268.db2.gz CHHBTJHFUNNYKN-UHFFFAOYSA-N -1 0 335.334 4.443 50 0 EIAARM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(F)(F)F ZINC000000141071 563241893 /nfs/dbraw/zinc/24/18/93/563241893.db2.gz BMWCXZNJDGHYMO-UHFFFAOYSA-N -1 0 343.326 4.093 50 0 EIAARM CC(C)Oc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1 ZINC000000392252 563304448 /nfs/dbraw/zinc/30/44/48/563304448.db2.gz OHGZSCXLSSWMKH-UHFFFAOYSA-N -1 0 334.799 4.333 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCCCCC3)n2)c1[O-] ZINC000000553688 563345076 /nfs/dbraw/zinc/34/50/76/563345076.db2.gz RMINXPCOLAAMTH-UHFFFAOYSA-N -1 0 349.434 4.391 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000001004286 563368039 /nfs/dbraw/zinc/36/80/39/563368039.db2.gz PPBAFFAAGXPVNW-UHFFFAOYSA-N -1 0 328.165 4.363 50 0 EIAARM CCCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000002109221 563422593 /nfs/dbraw/zinc/42/25/93/563422593.db2.gz HTBUQHQMFMYKKY-MSOLQXFVSA-N -1 0 329.440 4.415 50 0 EIAARM CCCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000002109215 563422726 /nfs/dbraw/zinc/42/27/26/563422726.db2.gz HTBUQHQMFMYKKY-ZWKOTPCHSA-N -1 0 329.440 4.415 50 0 EIAARM O=C([O-])c1cccc(COc2ccc(Br)cc2Cl)c1 ZINC000002521428 563438555 /nfs/dbraw/zinc/43/85/55/563438555.db2.gz UXDCDGQGXBIOAT-UHFFFAOYSA-N -1 0 341.588 4.380 50 0 EIAARM Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C(C)C ZINC000002562024 563441820 /nfs/dbraw/zinc/44/18/20/563441820.db2.gz BRJIFGOUURVKSU-UHFFFAOYSA-N -1 0 340.448 4.467 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)C(=O)[O-] ZINC000002821200 563452913 /nfs/dbraw/zinc/45/29/13/563452913.db2.gz VCVVCJOWADKOTC-HWPZZCPQSA-N -1 0 344.238 4.459 50 0 EIAARM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000006707011 563581251 /nfs/dbraw/zinc/58/12/51/563581251.db2.gz ZKZPCIDTRKBEBT-UHFFFAOYSA-N -1 0 330.453 4.239 50 0 EIAARM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002737957 563607861 /nfs/dbraw/zinc/60/78/61/563607861.db2.gz UWQDOJRTUYLCNE-UHFFFAOYSA-N -1 0 346.452 4.435 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000002801649 563615613 /nfs/dbraw/zinc/61/56/13/563615613.db2.gz CAXMIUKDTMCXDN-NWDGAFQWSA-N -1 0 342.222 4.379 50 0 EIAARM O=C([O-])c1sccc1Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000012959534 563678892 /nfs/dbraw/zinc/67/88/92/563678892.db2.gz CVPWHIRATLFDHN-UHFFFAOYSA-N -1 0 339.372 4.491 50 0 EIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCCCSc1ccccc1 ZINC000025560887 563886106 /nfs/dbraw/zinc/88/61/06/563886106.db2.gz QRAMQSQYSGXIQB-PKNBQFBNSA-N -1 0 344.432 4.354 50 0 EIAARM Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071721669 563964830 /nfs/dbraw/zinc/96/48/30/563964830.db2.gz KONBRAGMXSRMIT-QGZVFWFLSA-N -1 0 341.426 4.325 50 0 EIAARM COc1ccc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000000246714 563989424 /nfs/dbraw/zinc/98/94/24/563989424.db2.gz CUIAGSJVJLOHAN-UHFFFAOYSA-N -1 0 326.377 4.261 50 0 biogenic EIAARM O=C([O-])c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000292764 564012326 /nfs/dbraw/zinc/01/23/26/564012326.db2.gz NVRSHPQVYMJOAW-UHFFFAOYSA-N -1 0 345.398 4.227 50 0 EIAARM O=C(NC1CCCCC1)c1cc(Br)c2ccccc2c1[O-] ZINC000003154505 564015430 /nfs/dbraw/zinc/01/54/30/564015430.db2.gz XFHASMWINRDXBG-UHFFFAOYSA-N -1 0 348.240 4.370 50 0 EIAARM O=c1oc2ccccc2c([O-])c1SC(F)(F)[C@@H](F)C(F)(F)F ZINC000005731630 564024595 /nfs/dbraw/zinc/02/45/95/564024595.db2.gz CYVJSJILZQKBIU-JTQLQIEISA-N -1 0 344.232 4.084 50 0 EIAARM Cc1ccc(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCC4)cc1 ZINC000017071596 564024879 /nfs/dbraw/zinc/02/48/79/564024879.db2.gz SJWWJEYLJXBVBM-UHFFFAOYSA-N -1 0 342.489 4.356 50 0 EIAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000225443623 564046817 /nfs/dbraw/zinc/04/68/17/564046817.db2.gz KQSAQAHORKCNHT-UHFFFAOYSA-N -1 0 349.239 4.080 50 0 EIAARM COc1ccc(OC)c(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC000058356668 564050305 /nfs/dbraw/zinc/05/03/05/564050305.db2.gz CSAWBHWBMHYPCD-UHFFFAOYSA-N -1 0 341.388 4.193 50 0 EIAARM CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005978183 564057406 /nfs/dbraw/zinc/05/74/06/564057406.db2.gz HYBPXYQCXNOTFK-JLNUFZAQSA-N -1 0 340.504 4.296 50 0 in-vitro EIAARM CSc1nc(Nc2ccc(C(=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000007996585 564077701 /nfs/dbraw/zinc/07/77/01/564077701.db2.gz TYFZSRYEMMZMMS-UHFFFAOYSA-N -1 0 337.404 4.307 50 0 EIAARM CCc1cc2c(cc1[O-])occ(Oc1cnn(-c3ccccc3)c1)c2=O ZINC000000390214 564082604 /nfs/dbraw/zinc/08/26/04/564082604.db2.gz HTOABPKVNVIXQE-UHFFFAOYSA-N -1 0 348.358 4.039 50 0 EIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006510489 564091282 /nfs/dbraw/zinc/09/12/82/564091282.db2.gz PTKWIVKBDWUOTQ-UHFFFAOYSA-N -1 0 334.199 4.242 50 0 EIAARM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c2cccnc21 ZINC000065242207 564103389 /nfs/dbraw/zinc/10/33/89/564103389.db2.gz DYNHRPQEQHOSRC-UHFFFAOYSA-N -1 0 349.843 4.071 50 0 EIAARM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000170044208 564105033 /nfs/dbraw/zinc/10/50/33/564105033.db2.gz XZZFVAOCBYNECK-MRXNPFEDSA-N -1 0 343.448 4.051 50 0 EIAARM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(F)c(F)c2F)S1 ZINC000071289117 564110976 /nfs/dbraw/zinc/11/09/76/564110976.db2.gz HUVRICCYRQHCNM-CYBMUJFWSA-N -1 0 341.358 4.473 50 0 EIAARM C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(=O)[O-])c1 ZINC000254746718 564111648 /nfs/dbraw/zinc/11/16/48/564111648.db2.gz ZYKBTLRGDYIPLM-UHFFFAOYSA-N -1 0 336.416 4.333 50 0 EIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000011863645 564135028 /nfs/dbraw/zinc/13/50/28/564135028.db2.gz VHOMFNLTIBPPQF-SOFGYWHQSA-N -1 0 336.746 4.165 50 0 EIAARM O=C([O-])/C=C\c1cnc(/C=C\C2=Cc3cc(Cl)ccc3OC2)s1 ZINC000096035418 564145104 /nfs/dbraw/zinc/14/51/04/564145104.db2.gz LCUSHPYATCOFJI-KANDRLCVSA-N -1 0 345.807 4.384 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000005800113 1054098172 /nfs/dbraw/zinc/09/81/72/1054098172.db2.gz QNLYWGYEWJQRBR-HZPDHXFCSA-N -1 0 336.391 4.036 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000004724372 210260375 /nfs/dbraw/zinc/26/03/75/210260375.db2.gz IGZCDZIYCVPQKN-LSDHHAIUSA-N -1 0 329.783 4.012 50 0 EIAARM C[C@@H](c1ccccc1Cl)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000053235357 214171711 /nfs/dbraw/zinc/17/17/11/214171711.db2.gz YKQYVMMXDZUZTN-JTQLQIEISA-N -1 0 333.844 4.243 50 0 EIAARM CCCCOC(=O)N=c1[n-]nc(CSCc2ccccc2)s1 ZINC000004695015 210250608 /nfs/dbraw/zinc/25/06/08/210250608.db2.gz SKQGFSQKSNTCGX-UHFFFAOYSA-N -1 0 337.470 4.320 50 0 EIAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2F)cc1 ZINC000004689761 210249416 /nfs/dbraw/zinc/24/94/16/210249416.db2.gz WQVKUGIYCFULAW-QGZVFWFLSA-N -1 0 343.398 4.069 50 0 EIAARM O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000004668822 210241927 /nfs/dbraw/zinc/24/19/27/210241927.db2.gz XBICEJGHKYSLPS-UHFFFAOYSA-N -1 0 344.819 4.150 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049793374 214032750 /nfs/dbraw/zinc/03/27/50/214032750.db2.gz PIWYMPXOKMFVER-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 in-vivo EIAARM CCc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)[O-])cc1 ZINC000004204727 210145364 /nfs/dbraw/zinc/14/53/64/210145364.db2.gz QIFRYXOWETUXID-OUKQBFOZSA-N -1 0 332.403 4.259 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000045923068 213766295 /nfs/dbraw/zinc/76/62/95/213766295.db2.gz WJPUZSWLMNWOFO-IAGOWNOFSA-N -1 0 343.810 4.114 50 0 EIAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2cc(C)cc(C)c2)c1F ZINC000003651456 210071981 /nfs/dbraw/zinc/07/19/81/210071981.db2.gz GRGCIXBVOBPHDV-UHFFFAOYSA-N -1 0 325.286 4.171 50 0 EIAARM CC(C)c1nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2s1 ZINC000066873818 215088486 /nfs/dbraw/zinc/08/84/86/215088486.db2.gz IYDOZQULOOTLAB-STQMWFEESA-N -1 0 344.436 4.025 50 0 EIAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)[O-])cc12 ZINC000003222783 209981416 /nfs/dbraw/zinc/98/14/16/209981416.db2.gz ZUGVILCKSWTFMF-UHFFFAOYSA-N -1 0 326.299 4.112 50 0 EIAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1C1CCCCC1 ZINC000067803732 215216811 /nfs/dbraw/zinc/21/68/11/215216811.db2.gz QHWSHMXHIMCIFD-CYBMUJFWSA-N -1 0 345.468 4.112 50 0 EIAARM O=C([O-])c1cccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)c1 ZINC000002732146 209897947 /nfs/dbraw/zinc/89/79/47/209897947.db2.gz MANOHLGPDCCJJV-UHFFFAOYSA-N -1 0 336.672 4.158 50 0 EIAARM FC(F)(F)Oc1cc2sc(=S)[n-]c2c(Br)c1 ZINC000040456707 213305361 /nfs/dbraw/zinc/30/53/61/213305361.db2.gz JQMOBYLYYWNJBN-UHFFFAOYSA-N -1 0 330.150 4.246 50 0 EIAARM O=C([O-])COc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000001064537 209707717 /nfs/dbraw/zinc/70/77/17/209707717.db2.gz FXBHHXVSQXHCRO-UHFFFAOYSA-N -1 0 347.370 4.069 50 0 EIAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000000277193 209516097 /nfs/dbraw/zinc/51/60/97/209516097.db2.gz BOTDQOONYQTNCT-UHFFFAOYSA-N -1 0 333.771 4.326 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000000207907 209484098 /nfs/dbraw/zinc/48/40/98/209484098.db2.gz LFBDRDBSOCWZDH-CVEARBPZSA-N -1 0 338.407 4.260 50 0 EIAARM C[C@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)[O-])cc4)c32)C1 ZINC000000144687 209447759 /nfs/dbraw/zinc/44/77/59/209447759.db2.gz WLHCLBCOEGXXQF-JTQLQIEISA-N -1 0 339.420 4.258 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C ZINC000000101828 209421252 /nfs/dbraw/zinc/42/12/52/209421252.db2.gz FSPSKLYZFDEPDK-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM CCc1cc2c(cc1[O-])oc(CC)c(-c1nc3ccccc3n1C)c2=O ZINC000000045101 209388321 /nfs/dbraw/zinc/38/83/21/209388321.db2.gz NBFMAPDGEYTKPX-UHFFFAOYSA-N -1 0 348.402 4.177 50 0 EIAARM CC(C)c1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000000045189 209388386 /nfs/dbraw/zinc/38/83/86/209388386.db2.gz LJKNDIQVTNIZLP-UHFFFAOYSA-N -1 0 334.375 4.176 50 0 biogenic EIAARM C[Si](C)(C)c1c(Cl)c(C(=O)[O-])cc(C(F)(F)F)c1Cl ZINC000196024661 241035811 /nfs/dbraw/zinc/03/58/11/241035811.db2.gz QDXJIXVQZJTIIO-UHFFFAOYSA-N -1 0 331.193 4.256 50 0 EIAARM Cc1cccc(N[C@H](c2cccc(C(F)(F)F)c2)[P@@](=O)([O-])O)c1 ZINC000012527129 211399325 /nfs/dbraw/zinc/39/93/25/211399325.db2.gz DNTJBZFGZNLBKA-AWEZNQCLSA-N -1 0 345.257 4.302 50 0 EIAARM Cc1ccc(CSCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000012349357 211354090 /nfs/dbraw/zinc/35/40/90/211354090.db2.gz OGLNDJUHKREVRM-UHFFFAOYSA-N -1 0 349.839 4.219 50 0 EIAARM O=C([O-])[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 ZINC000011798209 211248781 /nfs/dbraw/zinc/24/87/81/211248781.db2.gz PYQBGHZZGUTMSS-CYBMUJFWSA-N -1 0 341.588 4.307 50 0 EIAARM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000095348872 218282788 /nfs/dbraw/zinc/28/27/88/218282788.db2.gz FGYNTPAICQZOCP-UHFFFAOYSA-N -1 0 343.404 4.027 50 0 EIAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000008906795 211017196 /nfs/dbraw/zinc/01/71/96/211017196.db2.gz IMRDLYFNSFXCTK-UHFFFAOYSA-N -1 0 325.408 4.254 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000032603670 563914106 /nfs/dbraw/zinc/91/41/06/563914106.db2.gz LJLZQLHCPYFWFP-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000211106 563260733 /nfs/dbraw/zinc/26/07/33/563260733.db2.gz LKWTXEFJOXUXRU-UHFFFAOYSA-N -1 0 346.235 4.193 50 0 EIAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000000270134 563269550 /nfs/dbraw/zinc/26/95/50/563269550.db2.gz KWGYSERKSFUIDY-UHFFFAOYSA-N -1 0 346.477 4.296 50 0 EIAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000000367685 563296864 /nfs/dbraw/zinc/29/68/64/563296864.db2.gz VTNVBDZQFCXGDC-CQSZACIVSA-N -1 0 341.407 4.224 50 0 EIAARM O=C(c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1ccccc1[O-] ZINC000000481663 563336461 /nfs/dbraw/zinc/33/64/61/563336461.db2.gz GULSQPXAXMNOQB-UHFFFAOYSA-N -1 0 337.762 4.231 50 0 EIAARM Cc1cc2oc(=O)c(CC(=O)[O-])c(C)c2c2occ(-c3ccccc3)c21 ZINC000002114723 563423035 /nfs/dbraw/zinc/42/30/35/563423035.db2.gz WJQHNEWGCZKROX-UHFFFAOYSA-N -1 0 348.354 4.450 50 0 biogenic EIAARM C[C@@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)[O-] ZINC000002243719 563427666 /nfs/dbraw/zinc/42/76/66/563427666.db2.gz MPPOHAUSNPTFAJ-SECBINFHSA-N -1 0 333.727 4.125 50 0 EIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)c2ccc(Br)cc2)C1 ZINC000002304901 563429005 /nfs/dbraw/zinc/42/90/05/563429005.db2.gz WKBLOZSJOWBALR-KGLIPLIRSA-N -1 0 337.213 4.079 50 0 EIAARM O=C([O-])c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)cc1 ZINC000002549572 563440512 /nfs/dbraw/zinc/44/05/12/563440512.db2.gz NSGLLSIOBKKSHI-UHFFFAOYSA-N -1 0 336.672 4.158 50 0 EIAARM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)sc2c1 ZINC000002831873 563453636 /nfs/dbraw/zinc/45/36/36/563453636.db2.gz XWTIRWJYUBBKCU-UHFFFAOYSA-N -1 0 346.477 4.331 50 0 EIAARM O=C([O-])c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(Cl)ccc21 ZINC000005514173 563525309 /nfs/dbraw/zinc/52/53/09/563525309.db2.gz VVIITUWVGKUWRP-NSCUHMNNSA-N -1 0 344.710 4.258 50 0 EIAARM CCc1sc2[n-]c(=S)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000005695775 563545764 /nfs/dbraw/zinc/54/57/64/563545764.db2.gz VUDSKPQAGDOTMZ-UHFFFAOYSA-N -1 0 330.478 4.348 50 0 EIAARM O=C([O-])CCC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000006333023 563565204 /nfs/dbraw/zinc/56/52/04/563565204.db2.gz DFVOYHWUCJVJHC-UHFFFAOYSA-N -1 0 335.812 4.295 50 0 EIAARM CC1=C(C)C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000002801650 563615608 /nfs/dbraw/zinc/61/56/08/563615608.db2.gz CAXMIUKDTMCXDN-VXGBXAGGSA-N -1 0 342.222 4.379 50 0 EIAARM O=C([O-])/C=C\c1cnc(/C=C\c2cccc(Br)c2)s1 ZINC000096035415 563650360 /nfs/dbraw/zinc/65/03/60/563650360.db2.gz MOVPUKNRCQOHNI-PEPZGXQESA-N -1 0 336.210 4.174 50 0 EIAARM O=C(Nc1ccon1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000032611342 563665397 /nfs/dbraw/zinc/66/53/97/563665397.db2.gz CJWGZTSOOZNEBV-UHFFFAOYSA-N -1 0 334.331 4.252 50 0 EIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000013061569 563686876 /nfs/dbraw/zinc/68/68/76/563686876.db2.gz UUBJWRHLNPEZKL-UHFFFAOYSA-N -1 0 349.761 4.468 50 0 EIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cc(F)ccc1F ZINC000017071979 563835309 /nfs/dbraw/zinc/83/53/09/563835309.db2.gz IGKSUBYGAMVZNZ-UHFFFAOYSA-N -1 0 345.370 4.433 50 0 EIAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1OC ZINC000017072598 563836492 /nfs/dbraw/zinc/83/64/92/563836492.db2.gz NTCWGWCJGDFRML-ZDUSSCGKSA-N -1 0 349.452 4.018 50 0 EIAARM Cc1ccc(-c2nc(S[C@@H](CC(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC000005730547 563863824 /nfs/dbraw/zinc/86/38/24/563863824.db2.gz ZMIRBLYNPOSRPX-HNNXBMFYSA-N -1 0 339.420 4.088 50 0 EIAARM CCCCC/C=C\C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)[O-] ZINC000025722203 563887720 /nfs/dbraw/zinc/88/77/20/563887720.db2.gz UVZBUUTTYHTDRR-WAQVJNLQSA-N -1 0 336.472 4.158 50 0 in-vitro,metabolite EIAARM O=C([O-])CCc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000097166008 563968562 /nfs/dbraw/zinc/96/85/62/563968562.db2.gz PVFVFUZBNDQCHN-UHFFFAOYSA-N -1 0 341.338 4.077 50 0 EIAARM O=c1nc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)[n-]1 ZINC000008637124 564017561 /nfs/dbraw/zinc/01/75/61/564017561.db2.gz ZCZYOBKFMGLCEE-UHFFFAOYSA-N -1 0 329.812 4.190 50 0 EIAARM C[C@H]1CCc2sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c3c2C1 ZINC000000496324 564018050 /nfs/dbraw/zinc/01/80/50/564018050.db2.gz VXWLXALUCVCXRD-NSHDSACASA-N -1 0 342.489 4.294 50 0 EIAARM O=C([O-])c1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000017071068 564024873 /nfs/dbraw/zinc/02/48/73/564024873.db2.gz HJTGTNADPJXBAM-UHFFFAOYSA-N -1 0 339.178 4.013 50 0 EIAARM COc1ccc2nc(-c3ccccc3)cc(SCC(=O)[O-])c2c1 ZINC000044903489 564027644 /nfs/dbraw/zinc/02/76/44/564027644.db2.gz HTBPPFSKVNJHTM-UHFFFAOYSA-N -1 0 325.389 4.087 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000045923071 564028898 /nfs/dbraw/zinc/02/88/98/564028898.db2.gz WJPUZSWLMNWOFO-SJORKVTESA-N -1 0 343.810 4.114 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053310 564029361 /nfs/dbraw/zinc/02/93/61/564029361.db2.gz MAKDARZOTOZTNE-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM O=C([O-])c1cccc(Nc2nc(-c3cccnc3)nc3ccccc32)c1 ZINC000000892014 564052645 /nfs/dbraw/zinc/05/26/45/564052645.db2.gz SCDKFKBFCFAWMO-UHFFFAOYSA-N -1 0 342.358 4.134 50 0 EIAARM CCOc1ccc(-c2n[n-]c(=S)n2-c2ccc(OCC)cc2)cc1 ZINC000001254644 564062761 /nfs/dbraw/zinc/06/27/61/564062761.db2.gz OXPRXLNBUJNSMK-UHFFFAOYSA-N -1 0 341.436 4.394 50 0 EIAARM CCc1ccc(Cl)c(CC)c1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000012756592 564067338 /nfs/dbraw/zinc/06/73/38/564067338.db2.gz DNIKDGOLIXFYRS-UHFFFAOYSA-N -1 0 337.847 4.438 50 0 EIAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 ZINC000299779814 564075073 /nfs/dbraw/zinc/07/50/73/564075073.db2.gz RDBDABFPYFBWBY-CYBMUJFWSA-N -1 0 339.420 4.187 50 0 EIAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccccc1 ZINC000001008338 564079962 /nfs/dbraw/zinc/07/99/62/564079962.db2.gz NSQSLUMQTFSUPG-UHFFFAOYSA-N -1 0 325.389 4.280 50 0 EIAARM Cc1cccc([C@@H](Nc2ccc(C)c(Cl)c2)[P@@](=O)([O-])O)c1 ZINC000012950419 564080153 /nfs/dbraw/zinc/08/01/53/564080153.db2.gz FRUOVBNOHOPBKA-HNNXBMFYSA-N -1 0 325.732 4.245 50 0 EIAARM Cc1cc(SCc2nc(=O)c3sccc3[n-]2)nc2ccccc12 ZINC000006315048 564084504 /nfs/dbraw/zinc/08/45/04/564084504.db2.gz CJDKHUYAFHAQLY-UHFFFAOYSA-N -1 0 339.445 4.134 50 0 EIAARM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(F)c([O-])c(F)c2)C2CC2)o1 ZINC000170651473 564120484 /nfs/dbraw/zinc/12/04/84/564120484.db2.gz PUDSOADDYNRFPC-QMTHXVAHSA-N -1 0 347.361 4.192 50 0 EIAARM Cc1c(O)ccc2c(CSc3cc(F)ccc3F)cc(=O)oc12 ZINC000007755316 564122694 /nfs/dbraw/zinc/12/26/94/564122694.db2.gz APADQJGPBJKZRR-UHFFFAOYSA-N -1 0 334.343 4.378 50 0 EIAARM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000095939644 564141964 /nfs/dbraw/zinc/14/19/64/564141964.db2.gz ACNFNJIGRVGVPF-UHFFFAOYSA-N -1 0 342.420 4.068 50 0 EIAARM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(-c2ccccc2)on1 ZINC000077893029 564176854 /nfs/dbraw/zinc/17/68/54/564176854.db2.gz ANRUELNEUZTXMT-UHFFFAOYSA-N -1 0 348.387 4.112 50 0 EIAARM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)[O-])ccc4[C@@H]3CC[C@]12C ZINC000261494742 568419333 /nfs/dbraw/zinc/41/93/33/568419333.db2.gz BQUPETXJTSLVRT-MERXZDIISA-N -1 0 342.435 4.173 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccc2c(c1)CCCC2)c1c[nH]c2ccccc21 ZINC000004488158 1024225267 /nfs/dbraw/zinc/22/52/67/1024225267.db2.gz BDBNNQMGNNSGQB-GOSISDBHSA-N -1 0 347.414 4.488 50 0 EIAARM O=C([O-])c1ccc(CN=Nc2nc(Cl)c(Cl)cc2Cl)cc1 ZINC000254302778 1037369096 /nfs/dbraw/zinc/36/90/96/1037369096.db2.gz DKSOZZHKZXGXKL-UHFFFAOYSA-N -1 0 344.585 4.186 50 0 EIAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)s1 ZINC000263574308 1050034983 /nfs/dbraw/zinc/03/49/83/1050034983.db2.gz NLJVNKWFSNSWGX-HNNXBMFYSA-N -1 0 343.448 4.074 50 0 EIAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000004724373 210259994 /nfs/dbraw/zinc/25/99/94/210259994.db2.gz IGZCDZIYCVPQKN-GJZGRUSLSA-N -1 0 329.783 4.012 50 0 EIAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000004705240 210254332 /nfs/dbraw/zinc/25/43/32/210254332.db2.gz OORGUAJITMSEPR-UXBLZVDNSA-N -1 0 332.783 4.416 50 0 EIAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000004592072 210229106 /nfs/dbraw/zinc/22/91/06/210229106.db2.gz YCFPMUGWEZOBGH-MLGOLLRUSA-N -1 0 331.799 4.173 50 0 EIAARM CCCc1cc(=O)[nH]c(SCc2cc(Cl)ccc2Cl)n1 ZINC000004368083 210180331 /nfs/dbraw/zinc/18/03/31/210180331.db2.gz WOCJHYCMNRAGBJ-UHFFFAOYSA-N -1 0 329.252 4.322 50 0 EIAARM Cc1nc2ccccc2c(C(=O)[O-])c1C(=O)Nc1ccccc1Cl ZINC000003865732 210080298 /nfs/dbraw/zinc/08/02/98/210080298.db2.gz HNQIHLWBNQDYQL-UHFFFAOYSA-N -1 0 340.766 4.147 50 0 EIAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000102724548 219225098 /nfs/dbraw/zinc/22/50/98/219225098.db2.gz HTMMHVPGSIHEFI-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)[O-])cc12 ZINC000003319025 210006048 /nfs/dbraw/zinc/00/60/48/210006048.db2.gz GJBQMJHARZRPFZ-UHFFFAOYSA-N -1 0 341.219 4.460 50 0 EIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000002801652 209917641 /nfs/dbraw/zinc/91/76/41/209917641.db2.gz CAXMIUKDTMCXDN-NEPJUHHUSA-N -1 0 342.222 4.379 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000040312635 213291414 /nfs/dbraw/zinc/29/14/14/213291414.db2.gz SQFHJDMBVMHIEG-OAHLLOKOSA-N -1 0 348.358 4.005 50 0 biogenic EIAARM COc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1Cl ZINC000039212395 213231890 /nfs/dbraw/zinc/23/18/90/213231890.db2.gz RPNSUIRLAUJMRP-UHFFFAOYSA-N -1 0 341.190 4.208 50 0 EIAARM C[C@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c(Cl)cccc21 ZINC000000488290 209631147 /nfs/dbraw/zinc/63/11/47/209631147.db2.gz RGOIRMSFDXYJFH-LKFCYVNXSA-N -1 0 327.767 4.247 50 0 biogenic EIAARM O=C([O-])c1ccccc1-n1ncc2c1/C(=C/c1ccccc1)CCC2 ZINC000033693504 212960270 /nfs/dbraw/zinc/96/02/70/212960270.db2.gz MUPDBAZZABXTPL-DTQAZKPQSA-N -1 0 330.387 4.447 50 0 EIAARM CC(=O)c1sc(C(C)(C)C)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000082611 209407984 /nfs/dbraw/zinc/40/79/84/209407984.db2.gz FQRPHLJLYPTTQW-UHFFFAOYSA-N -1 0 345.420 4.199 50 0 EIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000021657766 212237720 /nfs/dbraw/zinc/23/77/20/212237720.db2.gz KJBJUAQSSCOMRT-UHFFFAOYSA-N -1 0 330.746 4.199 50 0 EIAARM COc1ccc(Nc2cc(C(=O)[O-])nc3c(Cl)cccc23)cc1 ZINC000021657728 212237792 /nfs/dbraw/zinc/23/77/92/212237792.db2.gz UTFSXELAKFJJCI-UHFFFAOYSA-N -1 0 328.755 4.339 50 0 EIAARM Cc1c(C)c2cc(-c3ccn(-c4ccccc4)n3)c([O-])c(C)c2oc1=O ZINC000011866511 211261108 /nfs/dbraw/zinc/26/11/08/211261108.db2.gz LTWMIILGUYWHJZ-UHFFFAOYSA-N -1 0 346.386 4.277 50 0 EIAARM O=c1cc(-c2ccccc2Cl)[n-]n1-c1nc2ccccc2s1 ZINC000009227011 211055487 /nfs/dbraw/zinc/05/54/87/211055487.db2.gz KHQCJENFDCYFLD-UHFFFAOYSA-N -1 0 327.796 4.096 50 0 EIAARM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008735801 210994778 /nfs/dbraw/zinc/99/47/78/210994778.db2.gz RKBHKCZCGQVVDJ-KBPBESRZSA-N -1 0 335.831 4.070 50 0 EIAARM CCCOc1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)cc1 ZINC000095454313 218398726 /nfs/dbraw/zinc/39/87/26/218398726.db2.gz AOZMEDHRRFAFFF-UHFFFAOYSA-N -1 0 327.424 4.001 50 0 EIAARM O=C([O-])CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000006242454 210605280 /nfs/dbraw/zinc/60/52/80/210605280.db2.gz NIPJWORBQJXTGL-UHFFFAOYSA-N -1 0 330.796 4.127 50 0 EIAARM C[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccs3)c2C(=O)[O-])C1 ZINC000006008065 210575747 /nfs/dbraw/zinc/57/57/47/210575747.db2.gz NTEUUFPJLRNUGN-BXKUYDPTSA-N -1 0 347.461 4.285 50 0 EIAARM O=C([O-])C/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2o1 ZINC000005798235 210538131 /nfs/dbraw/zinc/53/81/31/210538131.db2.gz ICRKLNWOZCCQDT-FMIVXFBMSA-N -1 0 345.301 4.445 50 0 EIAARM O=C([O-])c1cc(NC(=O)Cc2cccc3ccccc32)ccc1Cl ZINC000005013136 210360221 /nfs/dbraw/zinc/36/02/21/210360221.db2.gz XOMARELZTDDOLA-UHFFFAOYSA-N -1 0 339.778 4.373 50 0 EIAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@]1(C)C(=O)[O-] ZINC000004990521 210352545 /nfs/dbraw/zinc/35/25/45/210352545.db2.gz VCVVCJOWADKOTC-QFYYESIMSA-N -1 0 344.238 4.459 50 0 EIAARM COc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(=O)[O-] ZINC000012537386 258055134 /nfs/dbraw/zinc/05/51/34/258055134.db2.gz OVXOBDFGANISGF-QPJJXVBHSA-N -1 0 349.386 4.186 50 0 EIAARM COc1ccccc1-c1c(C)[n-]n2c1nc(Cc1ccccc1)cc2=O ZINC000102803108 258069722 /nfs/dbraw/zinc/06/97/22/258069722.db2.gz WVXBEBQMOZLHAA-UHFFFAOYSA-N -1 0 345.402 4.010 50 0 EIAARM O=C([O-])CSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000000131670 563238765 /nfs/dbraw/zinc/23/87/65/563238765.db2.gz QTQZOJPPPGQTDL-UHFFFAOYSA-N -1 0 336.825 4.188 50 0 EIAARM CCOC(=O)C=C([O-])c1cc(-c2ccccc2)nc2ccc(OC)cc21 ZINC000000400018 563305852 /nfs/dbraw/zinc/30/58/52/563305852.db2.gz BBORHOIJQPSMIW-UHFFFAOYSA-N -1 0 349.386 4.046 50 0 EIAARM CCC(CC)C(=O)Nc1cc(NC(=O)C(CC)CC)cc(C(=O)[O-])c1 ZINC000000618712 563360704 /nfs/dbraw/zinc/36/07/04/563360704.db2.gz IZKCLCHVCWOZTF-UHFFFAOYSA-N -1 0 348.443 4.134 50 0 EIAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1ccc(Br)cc1 ZINC000000732362 563362995 /nfs/dbraw/zinc/36/29/95/563362995.db2.gz SKTSJINMYBCNEB-UHFFFAOYSA-N -1 0 343.180 4.000 50 0 EIAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc2ccccc2c1 ZINC000001137799 563375989 /nfs/dbraw/zinc/37/59/89/563375989.db2.gz MAZMYJGUAOTQGL-UHFFFAOYSA-N -1 0 334.400 4.189 50 0 EIAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)[O-])c(C)c4cc32)cc1 ZINC000002120735 563423148 /nfs/dbraw/zinc/42/31/48/563423148.db2.gz DKDQZTRRMYSVQA-UHFFFAOYSA-N -1 0 348.354 4.450 50 0 biogenic EIAARM O=C([O-])c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000002855863 563456408 /nfs/dbraw/zinc/45/64/08/563456408.db2.gz XHQMTGOYUPVLHP-UHFFFAOYSA-N -1 0 340.326 4.213 50 0 EIAARM CCCCc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1 ZINC000006165337 563559898 /nfs/dbraw/zinc/55/98/98/563559898.db2.gz NPBRMNOSEVJPSY-UHFFFAOYSA-N -1 0 340.448 4.378 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000006668227 563577505 /nfs/dbraw/zinc/57/75/05/563577505.db2.gz IAOHTVXMLUTPEE-HUUCEWRRSA-N -1 0 341.407 4.141 50 0 EIAARM COc1cccc(C(=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000008495409 563631126 /nfs/dbraw/zinc/63/11/26/563631126.db2.gz JLKDMNKYHBKWCV-UHFFFAOYSA-N -1 0 327.163 4.279 50 0 EIAARM O=C([O-])c1sccc1Oc1ccccc1NC(=O)c1ccccc1 ZINC000012959538 563679000 /nfs/dbraw/zinc/67/90/00/563679000.db2.gz KHPISZCCUOBIDU-UHFFFAOYSA-N -1 0 339.372 4.491 50 0 EIAARM CCOc1ccc(OCCCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000014084017 563738617 /nfs/dbraw/zinc/73/86/17/563738617.db2.gz UYKVELJJCIGMAQ-UHFFFAOYSA-N -1 0 330.380 4.022 50 0 EIAARM CCc1cc2c([n-]c(=S)n(Cc3ccc(Cl)cc3)c2=O)s1 ZINC000017070818 563833503 /nfs/dbraw/zinc/83/35/03/563833503.db2.gz ZPBGVKNZYOPKDN-UHFFFAOYSA-N -1 0 336.869 4.385 50 0 EIAARM Cc1ccc(C(=O)[O-])c(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000005698121 563863509 /nfs/dbraw/zinc/86/35/09/563863509.db2.gz KNGFYOOBBMUDKF-UHFFFAOYSA-N -1 0 348.196 4.016 50 0 EIAARM Cc1ccc(-c2nc(S[C@H](CC(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC000005730548 563864069 /nfs/dbraw/zinc/86/40/69/563864069.db2.gz ZMIRBLYNPOSRPX-OAHLLOKOSA-N -1 0 339.420 4.088 50 0 EIAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000023954667 563867926 /nfs/dbraw/zinc/86/79/26/563867926.db2.gz NJWBZAQJIRGULL-GFCCVEGCSA-N -1 0 329.827 4.415 50 0 EIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000000309807 563917319 /nfs/dbraw/zinc/91/73/19/563917319.db2.gz SQLRNIOERKXGOP-UHFFFAOYSA-N -1 0 339.416 4.163 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@H](CC2CCCCC2)[C@H]1C(=O)[O-] ZINC000221031445 563920110 /nfs/dbraw/zinc/92/01/10/563920110.db2.gz VRVLZGWUBIRQEC-CABCVRRESA-N -1 0 325.449 4.057 50 0 EIAARM Cc1cc(C)cc(Nc2nccc(Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000096693796 563962196 /nfs/dbraw/zinc/96/21/96/563962196.db2.gz AUTPNIOBVYNBJF-UHFFFAOYSA-N -1 0 334.379 4.279 50 0 EIAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000013948464 563966478 /nfs/dbraw/zinc/96/64/78/563966478.db2.gz BPRXGVDNKDABIV-UHFFFAOYSA-N -1 0 349.239 4.080 50 0 EIAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000000034759 563967841 /nfs/dbraw/zinc/96/78/41/563967841.db2.gz YVZXXBUYNATFEK-RYUDHWBXSA-N -1 0 342.222 4.379 50 0 EIAARM Cc1cc(N2CC[C@H](c3ccc(C(=O)[O-])cc3)C2)nc2ccccc12 ZINC000077485329 563969934 /nfs/dbraw/zinc/96/99/34/563969934.db2.gz WKCGOELSPCCLPD-KRWDZBQOSA-N -1 0 332.403 4.235 50 0 EIAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1c[nH]c2ccccc21 ZINC000000110177 563986626 /nfs/dbraw/zinc/98/66/26/563986626.db2.gz QKRSVVUEVGLGGY-CQSZACIVSA-N -1 0 327.767 4.263 50 0 EIAARM CC(C)(C)OC(=O)N1CCC[C@@H](CCCc2ccccc2)[C@@H]1C(=O)[O-] ZINC000221038755 563989650 /nfs/dbraw/zinc/98/96/50/563989650.db2.gz MCODWISZPDFBOP-IAGOWNOFSA-N -1 0 347.455 4.110 50 0 EIAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000005602503 564006308 /nfs/dbraw/zinc/00/63/08/564006308.db2.gz CNZKUTJCBMNWCJ-UHFFFAOYSA-N -1 0 339.416 4.163 50 0 EIAARM O=C([O-])c1ccc(Cl)c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000013167884 564019593 /nfs/dbraw/zinc/01/95/93/564019593.db2.gz IBSDUQFTGWNQJP-UHFFFAOYSA-N -1 0 343.810 4.489 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000013253636 564019660 /nfs/dbraw/zinc/01/96/60/564019660.db2.gz IOKMYVLRPTUSGT-SFYZADRCSA-N -1 0 348.613 4.252 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1ccsc1 ZINC000044916368 564027709 /nfs/dbraw/zinc/02/77/09/564027709.db2.gz QKUWSMNFBNTJEY-CYBMUJFWSA-N -1 0 338.388 4.361 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000072349 564042152 /nfs/dbraw/zinc/04/21/52/564042152.db2.gz BVXBOSFRFPTSOV-QZTJIDSGSA-N -1 0 338.407 4.260 50 0 EIAARM FC(F)(F)c1nnc(Sc2ncc(C(F)(F)F)cc2Cl)[n-]1 ZINC000261494932 564056183 /nfs/dbraw/zinc/05/61/83/564056183.db2.gz VCKXYXQDNUBCCE-UHFFFAOYSA-N -1 0 348.659 4.042 50 0 EIAARM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CCCCC1 ZINC000012851960 564075408 /nfs/dbraw/zinc/07/54/08/564075408.db2.gz DKTXMWJIEJCVED-UHFFFAOYSA-N -1 0 347.411 4.072 50 0 EIAARM O=C([O-])CSc1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000006243898 564083238 /nfs/dbraw/zinc/08/32/38/564083238.db2.gz HKPJFHFBOTZRBB-UHFFFAOYSA-N -1 0 330.796 4.127 50 0 EIAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000075436454 564084713 /nfs/dbraw/zinc/08/47/13/564084713.db2.gz YHTGNSFISKVQOQ-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(F)cc1 ZINC000006416364 564085638 /nfs/dbraw/zinc/08/56/38/564085638.db2.gz DSRWIRKCAHLNBS-UHFFFAOYSA-N -1 0 339.391 4.198 50 0 EIAARM O=C([O-])c1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000252601234 564090713 /nfs/dbraw/zinc/09/07/13/564090713.db2.gz DYGQDZMALUROMH-VQYMDGFVSA-N -1 0 346.180 4.449 50 0 EIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820598 564096574 /nfs/dbraw/zinc/09/65/74/564096574.db2.gz AKSJMWYEDDQKPB-UHFFFAOYSA-N -1 0 340.423 4.264 50 0 EIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 ZINC000006887774 564100712 /nfs/dbraw/zinc/10/07/12/564100712.db2.gz FIBNNKDXJGVTHL-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000065586897 564107764 /nfs/dbraw/zinc/10/77/64/564107764.db2.gz XHASZWFSZUMSOZ-UHFFFAOYSA-N -1 0 345.445 4.230 50 0 EIAARM CCc1cc2c(=O)c(-c3ccc(Br)cc3)coc2cc1[O-] ZINC000005686753 564111782 /nfs/dbraw/zinc/11/17/82/564111782.db2.gz ZSFFDHXRWQJTLQ-UHFFFAOYSA-N -1 0 345.192 4.491 50 0 EIAARM Nc1cc(CC(=O)[O-])ccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000675067571 564112493 /nfs/dbraw/zinc/11/24/93/564112493.db2.gz JFBDNMWIBUYKFJ-UHFFFAOYSA-N -1 0 346.430 4.103 50 0 EIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000007709451 564122135 /nfs/dbraw/zinc/12/21/35/564122135.db2.gz BSJFXNVCTIKKIH-UHFFFAOYSA-N -1 0 340.448 4.333 50 0 EIAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1Cl ZINC000057315500 564153518 /nfs/dbraw/zinc/15/35/18/564153518.db2.gz NFOHIPJNAWZYCJ-UHFFFAOYSA-N -1 0 347.871 4.463 50 0 EIAARM CCCC[C@H]1C(=O)CC[C@@H]2[C@@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]21 ZINC000008716759 564166635 /nfs/dbraw/zinc/16/66/35/564166635.db2.gz CGCZPIJMGKLVTQ-KYKMUFIXSA-N -1 0 334.456 4.178 50 0 in-man EIAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000071279091 564174833 /nfs/dbraw/zinc/17/48/33/564174833.db2.gz JRSCTHFGVUTRIU-ZETCQYMHSA-N -1 0 343.191 4.272 50 0 EIAARM CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(C(=O)[O-])ccc4[C@@H]3CC[C@@]12C ZINC000261494741 568419355 /nfs/dbraw/zinc/41/93/55/568419355.db2.gz BQUPETXJTSLVRT-HMPZBHLVSA-N -1 0 342.435 4.173 50 0 EIAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccc(C)cc4)cc3n2)cc1 ZINC000106299893 1025625048 /nfs/dbraw/zinc/62/50/48/1025625048.db2.gz DTDODCSDUNUMPR-UHFFFAOYSA-N -1 0 331.375 4.086 50 0 EIAARM O=C([O-])C1CCC(C(=O)NC2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000194442820 1026881504 /nfs/dbraw/zinc/88/15/04/1026881504.db2.gz OLBRCIUOINDUGT-UHFFFAOYSA-N -1 0 349.858 4.117 50 0 EIAARM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)o2)c1 ZINC000191042206 1030463877 /nfs/dbraw/zinc/46/38/77/1030463877.db2.gz QFRJZZXHYCACJZ-HXUWFJFHSA-N -1 0 341.407 4.007 50 0 EIAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCCc2ccccc2)s1 ZINC000263574309 1030990484 /nfs/dbraw/zinc/99/04/84/1030990484.db2.gz NLJVNKWFSNSWGX-OAHLLOKOSA-N -1 0 343.448 4.074 50 0 EIAARM COc1cccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c1OC ZINC000096791961 1039368381 /nfs/dbraw/zinc/36/83/81/1039368381.db2.gz JXICXLWPVLMZTA-KHPPLWFESA-N -1 0 335.359 4.121 50 0 EIAARM O=C([O-])c1ccc(/C=C/C(=O)c2cc(Br)ccc2F)cc1 ZINC000084383671 1041152843 /nfs/dbraw/zinc/15/28/43/1041152843.db2.gz DRHJGZXJHPKJAY-FPYGCLRLSA-N -1 0 349.155 4.183 50 0 EIAARM Cc1nn(C)c(C)c1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000033530963 1047415221 /nfs/dbraw/zinc/41/52/21/1047415221.db2.gz JYINUYUEIRDBQS-RAXLEYEMSA-N -1 0 341.436 4.052 50 0 EIAARM O=C([O-])c1cc(Nc2nc(-c3ccc(F)cc3)cs2)ccc1O ZINC000004733240 210263736 /nfs/dbraw/zinc/26/37/36/210263736.db2.gz AOUJSSRJMHQMOA-UHFFFAOYSA-N -1 0 330.340 4.097 50 0 EIAARM O=C([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000004723973 210260400 /nfs/dbraw/zinc/26/04/00/210260400.db2.gz MQDAIDCUEBTDPQ-UHFFFAOYSA-N -1 0 346.795 4.381 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000004724374 210260235 /nfs/dbraw/zinc/26/02/35/210260235.db2.gz IGZCDZIYCVPQKN-HUUCEWRRSA-N -1 0 329.783 4.012 50 0 EIAARM O=C([O-])c1ccccc1CN(Cc1ccsc1)Cc1ccco1 ZINC000055309694 214305324 /nfs/dbraw/zinc/30/53/24/214305324.db2.gz JHXINBDYTISKEL-UHFFFAOYSA-N -1 0 327.405 4.242 50 0 EIAARM Cc1[n-]n2c(nc(-c3ccccc3)c(Cl)c2=O)c1-c1ccccc1 ZINC000101311686 219121603 /nfs/dbraw/zinc/12/16/03/219121603.db2.gz RDFMGIUOQOIHAA-UHFFFAOYSA-N -1 0 335.794 4.318 50 0 EIAARM COc1ccc2nc([N-]c3nnc(-c4cccs4)o3)sc2c1 ZINC000004137758 210129606 /nfs/dbraw/zinc/12/96/06/210129606.db2.gz JXXRJORAGVNWLF-UHFFFAOYSA-N -1 0 330.394 4.160 50 0 EIAARM CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000004098363 210118610 /nfs/dbraw/zinc/11/86/10/210118610.db2.gz YHWNASRGLKJRJJ-KRWDZBQOSA-N -1 0 340.375 4.019 50 0 endogenous,in-man EIAARM CC(C)CCCCCCOc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000004023313 210101391 /nfs/dbraw/zinc/10/13/91/210101391.db2.gz DAOJKNZFERHKLS-UHFFFAOYSA-N -1 0 349.471 4.267 50 0 biogenic EIAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000003883069 210083500 /nfs/dbraw/zinc/08/35/00/210083500.db2.gz LSTHDERFUSCPKL-AWEZNQCLSA-N -1 0 346.423 4.385 50 0 biogenic EIAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000003757144 210074151 /nfs/dbraw/zinc/07/41/51/210074151.db2.gz RFILYPZXNIYKKZ-UHFFFAOYSA-N -1 0 343.766 4.271 50 0 EIAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccc(F)c2)C1 ZINC000102738237 219226634 /nfs/dbraw/zinc/22/66/34/219226634.db2.gz YEEHQSQTNNNUQT-CQSZACIVSA-N -1 0 328.347 4.080 50 0 EIAARM Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)[O-])n2)cc1 ZINC000002896610 209938956 /nfs/dbraw/zinc/93/89/56/209938956.db2.gz GAEKXMRFUJRVJV-UHFFFAOYSA-N -1 0 338.388 4.069 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccccc1 ZINC000040286815 213289194 /nfs/dbraw/zinc/28/91/94/213289194.db2.gz YHWZJDGHWFIVDF-HNNXBMFYSA-N -1 0 332.359 4.299 50 0 EIAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000040059899 213256916 /nfs/dbraw/zinc/25/69/16/213256916.db2.gz PZWKDLMXLBANII-SECBINFHSA-N -1 0 341.741 4.138 50 0 EIAARM CCCCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])o3)ccc12 ZINC000036370056 213092162 /nfs/dbraw/zinc/09/21/62/213092162.db2.gz DPVAVAAUHVKPBJ-UHFFFAOYSA-N -1 0 342.347 4.006 50 0 biogenic EIAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCC[C@@H]32)cc1 ZINC000035360521 213023164 /nfs/dbraw/zinc/02/31/64/213023164.db2.gz VUIVNIRTYXJXCX-COXVUDFISA-N -1 0 329.783 4.283 50 0 EIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000000354343 209547157 /nfs/dbraw/zinc/54/71/57/209547157.db2.gz KIQLUMVBJRWUED-UHFFFAOYSA-N -1 0 336.627 4.448 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1F ZINC000025762660 212495917 /nfs/dbraw/zinc/49/59/17/212495917.db2.gz AYYRWKOMLDNYQG-UHFFFAOYSA-N -1 0 334.709 4.169 50 0 EIAARM O=C([O-])c1cc(Nc2ccc3c(c2)OCO3)c2cccc(Cl)c2n1 ZINC000021657730 212237098 /nfs/dbraw/zinc/23/70/98/212237098.db2.gz ZWAZZALPIDAZOT-UHFFFAOYSA-N -1 0 342.738 4.059 50 0 EIAARM CC(C)c1n[n-]c(=NC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000018100203 211981551 /nfs/dbraw/zinc/98/15/51/211981551.db2.gz DVNDONFSHJUTMV-UHFFFAOYSA-N -1 0 331.228 4.034 50 0 EIAARM Cc1ccc(CSCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000018195811 211989224 /nfs/dbraw/zinc/98/92/24/211989224.db2.gz PFFZDXQYYPHCKW-UHFFFAOYSA-N -1 0 349.839 4.219 50 0 EIAARM O=C(NCc1ccccn1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000078995422 217168810 /nfs/dbraw/zinc/16/88/10/217168810.db2.gz AHZZHOOAEPFLGQ-UHFFFAOYSA-N -1 0 338.794 4.038 50 0 EIAARM Cc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)c(C)c1 ZINC000009669153 211114086 /nfs/dbraw/zinc/11/40/86/211114086.db2.gz OFHRANYWYPDSTE-UHFFFAOYSA-N -1 0 340.814 4.182 50 0 EIAARM O=c1nc(-c2ccccc2)nc(SCc2c(F)cccc2Cl)[n-]1 ZINC000008637127 210976816 /nfs/dbraw/zinc/97/68/16/210976816.db2.gz VTEUDRNNYIBAFJ-UHFFFAOYSA-N -1 0 347.802 4.329 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000005277192 210431439 /nfs/dbraw/zinc/43/14/39/210431439.db2.gz CBSPWPMVKJUHTL-NVXWUHKLSA-N -1 0 325.408 4.137 50 0 EIAARM Cc1ccc(C)c(NC(=O)[C@H](CC(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000004977243 210346308 /nfs/dbraw/zinc/34/63/08/210346308.db2.gz BEZCBONOOWRFHY-NVXWUHKLSA-N -1 0 325.408 4.137 50 0 EIAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000004949538 210337145 /nfs/dbraw/zinc/33/71/45/210337145.db2.gz QKBPDVBZTVJMLY-ZJUUUORDSA-N -1 0 348.613 4.165 50 0 EIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000004809519 210281634 /nfs/dbraw/zinc/28/16/34/210281634.db2.gz BFGYGCYNPOEQFE-UHFFFAOYSA-N -1 0 333.453 4.236 50 0 EIAARM O=S(=O)([N-]c1ccccc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004202 258062263 /nfs/dbraw/zinc/06/22/63/258062263.db2.gz OJYVXJDBBXWPCK-UHFFFAOYSA-N -1 0 346.433 4.081 50 0 EIAARM Cc1csc(-c2cccc(NC(=O)CC3(C(=O)[O-])CCCC3)c2)n1 ZINC000169975544 534762499 /nfs/dbraw/zinc/76/24/99/534762499.db2.gz TYVXGHSSMHUIBO-UHFFFAOYSA-N -1 0 344.436 4.092 50 0 EIAARM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000029010789 524922919 /nfs/dbraw/zinc/92/29/19/524922919.db2.gz AJVMMXVRCJQDOH-AWEZNQCLSA-N -1 0 343.423 4.425 50 0 EIAARM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000029010821 525075915 /nfs/dbraw/zinc/07/59/15/525075915.db2.gz WKESLHLKYOXSTN-CQSZACIVSA-N -1 0 343.423 4.425 50 0 EIAARM O=c1[nH]c(=S)[n-]c2scc(-c3ccc(Br)cc3)c21 ZINC000018183439 564084080 /nfs/dbraw/zinc/08/40/80/564084080.db2.gz NTAJPZDBKREMIK-UHFFFAOYSA-N -1 0 339.239 4.077 50 0 EIAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000000035846 563211968 /nfs/dbraw/zinc/21/19/68/563211968.db2.gz JEUYPXDMAWIMOG-UHFFFAOYSA-N -1 0 328.165 4.363 50 0 EIAARM O=C([O-])c1cc(-c2cccc(O)c2)nc2ccc(Br)cc21 ZINC000000205040 563259845 /nfs/dbraw/zinc/25/98/45/563259845.db2.gz QYJSYSNGXIKVGZ-UHFFFAOYSA-N -1 0 344.164 4.068 50 0 EIAARM C[C@H]1C[C@H](C)CN(c2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000000308772 563279168 /nfs/dbraw/zinc/27/91/68/563279168.db2.gz UPIRTMMOQRPBKD-GJZGRUSLSA-N -1 0 333.435 4.485 50 0 EIAARM COc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000000454693 563323323 /nfs/dbraw/zinc/32/33/23/563323323.db2.gz CIBMUAHWEUGSLV-UHFFFAOYSA-N -1 0 347.370 4.313 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000000470496 563330771 /nfs/dbraw/zinc/33/07/71/563330771.db2.gz DSYJHDUQZKKPPX-UHFFFAOYSA-N -1 0 333.453 4.085 50 0 EIAARM CCCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000002109217 563422605 /nfs/dbraw/zinc/42/26/05/563422605.db2.gz HTBUQHQMFMYKKY-QZTJIDSGSA-N -1 0 329.440 4.415 50 0 EIAARM O=c1c2c3c(sc2[n-]c(=S)n1CCc1ccccc1)CCCC3 ZINC000006493963 563570402 /nfs/dbraw/zinc/57/04/02/563570402.db2.gz KQPHWEGXEURWBX-UHFFFAOYSA-N -1 0 342.489 4.242 50 0 EIAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000006697757 563578696 /nfs/dbraw/zinc/57/86/96/563578696.db2.gz OQLNERMRFGAOSZ-UHFFFAOYSA-N -1 0 348.468 4.021 50 0 EIAARM CCCCCCSc1nc([O-])c(CC)c(=O)n1-c1ccccc1 ZINC000016513558 563814055 /nfs/dbraw/zinc/81/40/55/563814055.db2.gz AGTDNBWXYAZSRX-UHFFFAOYSA-N -1 0 332.469 4.173 50 0 EIAARM CCCc1c(C)nc2[n-]c(SCc3ccccc3Cl)nn2c1=O ZINC000018240911 563851318 /nfs/dbraw/zinc/85/13/18/563851318.db2.gz AZKLFRXPRFILDR-UHFFFAOYSA-N -1 0 348.859 4.037 50 0 EIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000025365321 563884078 /nfs/dbraw/zinc/88/40/78/563884078.db2.gz OEFCYYXHMSGJJD-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM O=C([O-])Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000044224480 563926301 /nfs/dbraw/zinc/92/63/01/563926301.db2.gz KVAFNOAGIQWNSJ-UHFFFAOYSA-N -1 0 348.398 4.472 50 0 EIAARM COc1c(O)c(Br)c2ccccc2c1Br ZINC000071788983 563965816 /nfs/dbraw/zinc/96/58/16/563965816.db2.gz JSEYBJXZSRIZSK-UHFFFAOYSA-N -1 0 331.991 4.079 50 0 EIAARM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)cc1 ZINC000126795834 563970877 /nfs/dbraw/zinc/97/08/77/563970877.db2.gz HYCRABLQBQYQSA-UHFFFAOYSA-N -1 0 348.468 4.349 50 0 EIAARM O=c1nc(CN2CCCCC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000024164257 563996353 /nfs/dbraw/zinc/99/63/53/563996353.db2.gz YGXXKGOMCDHWJS-UHFFFAOYSA-N -1 0 343.427 4.189 50 0 EIAARM O=c1nc(CSc2cccc(C(F)(F)F)c2)[n-]c2ccsc21 ZINC000005174295 563999966 /nfs/dbraw/zinc/99/99/66/563999966.db2.gz VWPJWPCWNWLFNR-UHFFFAOYSA-N -1 0 342.367 4.296 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053309 564029360 /nfs/dbraw/zinc/02/93/60/564029360.db2.gz PZWDBRYEERCVST-UHFFFAOYSA-N -1 0 344.386 4.013 50 0 EIAARM CCOc1ccccc1[C@H](Nc1cccc(Cl)c1)[P@@](=O)([O-])O ZINC000024769624 564033706 /nfs/dbraw/zinc/03/37/06/564033706.db2.gz SUSIDICMJPCVMH-OAHLLOKOSA-N -1 0 341.731 4.027 50 0 EIAARM COc1ccc(-c2csc(-c3ccsc3)n2)c2occ([O-])c21 ZINC000225519869 564047516 /nfs/dbraw/zinc/04/75/16/564047516.db2.gz GUPITPCFCIZJIU-UHFFFAOYSA-N -1 0 329.402 4.122 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000012538934 564058483 /nfs/dbraw/zinc/05/84/83/564058483.db2.gz MRRLFRUHBSEITB-NXEZZACHSA-N -1 0 328.359 4.353 50 0 EIAARM CCOc1ccc(N[C@H](c2cccc(Cl)c2)[P@@](=O)([O-])O)cc1 ZINC000012540636 564058681 /nfs/dbraw/zinc/05/86/81/564058681.db2.gz JBNCAGCDLSOCGZ-HNNXBMFYSA-N -1 0 341.731 4.027 50 0 EIAARM O=C(Nc1cccc(Cl)c1[O-])c1c(F)cccc1Br ZINC000088375591 564079025 /nfs/dbraw/zinc/07/90/25/564079025.db2.gz OPRIWEDGUDFHIK-UHFFFAOYSA-N -1 0 344.567 4.200 50 0 EIAARM CC(C)[C@H](NC(=O)CSc1ccccc1C(=O)[O-])c1cccs1 ZINC000012916962 564078076 /nfs/dbraw/zinc/07/80/76/564078076.db2.gz XTDRUFBEWSOALI-INIZCTEOSA-N -1 0 349.477 4.052 50 0 EIAARM CC(C)(C)c1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000000146703 564082522 /nfs/dbraw/zinc/08/25/22/564082522.db2.gz HZPJKKKHOGSPIN-UHFFFAOYSA-N -1 0 335.329 4.418 50 0 EIAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3)c(C)s2)c1C ZINC000075435387 564084700 /nfs/dbraw/zinc/08/47/00/564084700.db2.gz GFNRZBINUHPYNN-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)on1 ZINC000075435340 564084718 /nfs/dbraw/zinc/08/47/18/564084718.db2.gz XPVVRBLXDKKDDF-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM CCOc1ccc2ccccc2c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000252477452 564090175 /nfs/dbraw/zinc/09/01/75/564090175.db2.gz OEKAIFKDVLQKKZ-UHFFFAOYSA-N -1 0 334.375 4.383 50 0 EIAARM Cc1ccc(-c2[nH]nc3nc(-c4cccc(F)c4)cc(C(=O)[O-])c32)cc1 ZINC000006748980 564097075 /nfs/dbraw/zinc/09/70/75/564097075.db2.gz LDNRXPLOZYWYCT-UHFFFAOYSA-N -1 0 347.349 4.438 50 0 EIAARM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(F)c(F)c2F)S1 ZINC000071289116 564110944 /nfs/dbraw/zinc/11/09/44/564110944.db2.gz HUVRICCYRQHCNM-ZDUSSCGKSA-N -1 0 341.358 4.473 50 0 EIAARM O=C([O-])/C=C\c1cnc(/C=C/C2=Cc3cc(Cl)ccc3OC2)s1 ZINC000096035419 564145105 /nfs/dbraw/zinc/14/51/05/564145105.db2.gz LCUSHPYATCOFJI-DHURKKFYSA-N -1 0 345.807 4.384 50 0 EIAARM CC(C)CCn1c(=O)c2c([n-]c1=S)c(-c1ccccc1)cn2C ZINC000057519869 564154693 /nfs/dbraw/zinc/15/46/93/564154693.db2.gz RQYHNMMGFYUVGK-UHFFFAOYSA-N -1 0 327.453 4.111 50 0 EIAARM Cc1c(Cl)ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1Cl ZINC000041095276 564173106 /nfs/dbraw/zinc/17/31/06/564173106.db2.gz UITJMFZGQSNVTB-CABZTGNLSA-N -1 0 336.284 4.159 50 0 EIAARM CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000254865857 1024997892 /nfs/dbraw/zinc/99/78/92/1024997892.db2.gz WOGXGFBMNAZTMU-UHFFFAOYSA-N -1 0 340.166 4.443 50 0 EIAARM COc1ccccc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000033643378 1047685774 /nfs/dbraw/zinc/68/57/74/1047685774.db2.gz MZMAWAFRVUUPQG-RAXLEYEMSA-N -1 0 325.389 4.320 50 0 EIAARM Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc(Cl)cc2)c1 ZINC000004719263 210257638 /nfs/dbraw/zinc/25/76/38/210257638.db2.gz XDFDNENYSVBQMZ-OAHLLOKOSA-N -1 0 345.826 4.229 50 0 EIAARM Cc1c(F)cccc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000004686996 210247921 /nfs/dbraw/zinc/24/79/21/210247921.db2.gz ROMPHKHVGVIUMC-UHFFFAOYSA-N -1 0 342.153 4.391 50 0 EIAARM CC(C)N(C[C@@H](C(=O)[O-])c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000098213664 219088517 /nfs/dbraw/zinc/08/85/17/219088517.db2.gz GQWRBNJRKSPGTF-CQSZACIVSA-N -1 0 341.835 4.154 50 0 EIAARM O=c1c(Cc2ccccc2)c([O-])c2ccccc2n1Cc1ccccc1 ZINC000100218314 219094849 /nfs/dbraw/zinc/09/48/49/219094849.db2.gz ZIWVYRMHGBBTTH-UHFFFAOYSA-N -1 0 341.410 4.346 50 0 biogenic,in-vitro EIAARM O=C([O-])c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000003466236 210048202 /nfs/dbraw/zinc/04/82/02/210048202.db2.gz NDZQPXFPOCTXEF-UHFFFAOYSA-N -1 0 331.371 4.155 50 0 in-vivo EIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003358030 210016120 /nfs/dbraw/zinc/01/61/20/210016120.db2.gz NQRLSBNBDKQFNC-UHFFFAOYSA-N -1 0 343.370 4.377 50 0 EIAARM CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000000619681 209683684 /nfs/dbraw/zinc/68/36/84/209683684.db2.gz CHTCDJSNOVPGOL-UHFFFAOYSA-N -1 0 336.391 4.272 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc(Br)s1 ZINC000038002143 213186778 /nfs/dbraw/zinc/18/67/78/213186778.db2.gz MNRMKPDNHAAEBS-UHFFFAOYSA-N -1 0 349.209 4.062 50 0 EIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000023371148 212372664 /nfs/dbraw/zinc/37/26/64/212372664.db2.gz CNILYBSVNLTYMU-UHFFFAOYSA-N -1 0 348.427 4.497 50 0 EIAARM CC[Si](CC)(CC)CC[P@@](=O)([O-])CN1CCCCCC1=O ZINC000195885734 241035964 /nfs/dbraw/zinc/03/59/64/241035964.db2.gz GLBCBCXUUMTWEA-UHFFFAOYSA-N -1 0 333.485 4.125 50 0 EIAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000022014701 212269781 /nfs/dbraw/zinc/26/97/81/212269781.db2.gz NMXNAYGOUOQUPC-LLVKDONJSA-N -1 0 334.199 4.034 50 0 EIAARM O=C([O-])c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000020285157 212117060 /nfs/dbraw/zinc/11/70/60/212117060.db2.gz VRCGWTBGVXSANI-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000014255816 211724345 /nfs/dbraw/zinc/72/43/45/211724345.db2.gz SWGOBHHTJRRWBH-NSHDSACASA-N -1 0 325.380 4.279 50 0 EIAARM CCc1cccc(N[C@H](c2ccc(Cl)cc2)[P@@](=O)([O-])O)c1 ZINC000012526555 211399246 /nfs/dbraw/zinc/39/92/46/211399246.db2.gz LRKPZJRJIZPTKJ-HNNXBMFYSA-N -1 0 325.732 4.191 50 0 EIAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000012421724 211376515 /nfs/dbraw/zinc/37/65/15/211376515.db2.gz PXKZSZOETXKDIU-UHFFFAOYSA-N -1 0 335.794 4.318 50 0 EIAARM CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012396127 211367624 /nfs/dbraw/zinc/36/76/24/211367624.db2.gz ABERBUFWYGONOA-UHFFFAOYSA-N -1 0 339.370 4.259 50 0 EIAARM O=C([O-])c1ccc2cc(Br)c(Br)cc2c1 ZINC000091297168 217990599 /nfs/dbraw/zinc/99/05/99/217990599.db2.gz QZUXMZSECRBNNF-UHFFFAOYSA-N -1 0 329.975 4.063 50 0 EIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(C)C ZINC000011565999 211223277 /nfs/dbraw/zinc/22/32/77/211223277.db2.gz BMIDVIKRIBQHSX-UHFFFAOYSA-N -1 0 348.468 4.185 50 0 EIAARM COc1ccc(/C=C\c2cc(C(=O)[O-])c3cc(C)ccc3n2)c(OC)c1 ZINC000096891409 218896552 /nfs/dbraw/zinc/89/65/52/218896552.db2.gz VOTDEFXCJIVRCI-ALCCZGGFSA-N -1 0 349.386 4.429 50 0 EIAARM O=C(C=C([O-])c1ccccc1)c1ccc(OCc2ccccc2)cc1O ZINC000299803887 258105869 /nfs/dbraw/zinc/10/58/69/258105869.db2.gz JMVGBEDHTPDYLD-UHFFFAOYSA-N -1 0 346.382 4.427 50 0 EIAARM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](CC(=O)[O-])CC[C@]34C)[C@H]1CC[C@@H]2O ZINC000245238985 258073039 /nfs/dbraw/zinc/07/30/39/258073039.db2.gz DGNCIMCPMIGWCU-QYQWGMGISA-N -1 0 334.500 4.481 50 0 EIAARM Cc1nc2cc(NC(=O)[C@](C)(CC(=O)[O-])C3CCCCC3)ccc2o1 ZINC000169975501 226594197 /nfs/dbraw/zinc/59/41/97/226594197.db2.gz GHDTUEZZVHRHCY-LJQANCHMSA-N -1 0 344.411 4.136 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000072390 563215865 /nfs/dbraw/zinc/21/58/65/563215865.db2.gz JNCSQROSIMRUQO-MSOLQXFVSA-N -1 0 339.391 4.308 50 0 EIAARM C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(=O)[O-])C1 ZINC000000091509 563222501 /nfs/dbraw/zinc/22/25/01/563222501.db2.gz NTEUUFPJLRNUGN-BREXMAIKSA-N -1 0 347.461 4.285 50 0 EIAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000000101849 563226240 /nfs/dbraw/zinc/22/62/40/563226240.db2.gz HICPXMFCCURGLK-UHFFFAOYSA-N -1 0 330.236 4.411 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1 ZINC000000207895 563260136 /nfs/dbraw/zinc/26/01/36/563260136.db2.gz LFBDRDBSOCWZDH-JKSUJKDBSA-N -1 0 338.407 4.260 50 0 EIAARM Cc1cc(CC(=O)[O-])ccc1OCc1ccc(OCC(C)C)cc1 ZINC000000395683 563304428 /nfs/dbraw/zinc/30/44/28/563304428.db2.gz WLHXJACYQHGBLE-UHFFFAOYSA-N -1 0 328.408 4.236 50 0 EIAARM CCOc1ccc(C(=O)C[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000002543421 563440229 /nfs/dbraw/zinc/44/02/29/563440229.db2.gz UXQQZCARNHZPPL-MRXNPFEDSA-N -1 0 337.375 4.008 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000003191754 563475877 /nfs/dbraw/zinc/47/58/77/563475877.db2.gz CBSPWPMVKJUHTL-RDJZCZTQSA-N -1 0 325.408 4.137 50 0 EIAARM O=C([O-])CC/C(=C\c1cccc(O)c1)c1nc2ccccc2s1 ZINC000007141208 563595952 /nfs/dbraw/zinc/59/59/52/563595952.db2.gz QVUIHLRLVUWZMV-JLHYYAGUSA-N -1 0 325.389 4.407 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(N3CCC(C)CC3)n2)c1[O-] ZINC000013127740 563689934 /nfs/dbraw/zinc/68/99/34/563689934.db2.gz CWCLFUMESZMVLC-UHFFFAOYSA-N -1 0 349.434 4.247 50 0 EIAARM Cc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c(=O)[n-]2)c(C)c1 ZINC000016777302 563822984 /nfs/dbraw/zinc/82/29/84/563822984.db2.gz CTKFCPCEQPDQHG-UHFFFAOYSA-N -1 0 326.787 4.258 50 0 EIAARM Cc1cccc(-c2n[n-]/c(=N/C(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000018100066 563848760 /nfs/dbraw/zinc/84/87/60/563848760.db2.gz UQAWCXGZCJVEKU-UHFFFAOYSA-N -1 0 338.436 4.196 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1CCOc1ccc2ccccc2c1 ZINC000028961507 563904701 /nfs/dbraw/zinc/90/47/01/563904701.db2.gz YLWLCQMOHOUSCA-UHFFFAOYSA-N -1 0 348.427 4.291 50 0 EIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC000032603671 563914096 /nfs/dbraw/zinc/91/40/96/563914096.db2.gz GPUCTHDWKAOTIN-UHFFFAOYSA-N -1 0 349.452 4.018 50 0 EIAARM COc1cc(OC)c(C(=O)CCC(=O)[O-])cc1CCC1CCCCC1 ZINC000071770721 563965651 /nfs/dbraw/zinc/96/56/51/563965651.db2.gz GGNVQFQQMUWADI-UHFFFAOYSA-N -1 0 348.439 4.264 50 0 EIAARM Cc1cc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)ccc1F ZINC000000070749 563974156 /nfs/dbraw/zinc/97/41/56/563974156.db2.gz DWAINWKRTMYUJP-UHFFFAOYSA-N -1 0 344.367 4.405 50 0 EIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(C)c1 ZINC000000194584 564007079 /nfs/dbraw/zinc/00/70/79/564007079.db2.gz QJQDSFCSQRJGDC-UHFFFAOYSA-N -1 0 340.448 4.269 50 0 EIAARM O=C([O-])c1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)o1 ZINC000180134980 564012282 /nfs/dbraw/zinc/01/22/82/564012282.db2.gz YVIDAVCYSXOLAM-UHFFFAOYSA-N -1 0 331.393 4.265 50 0 EIAARM CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C(=O)[O-])cc1 ZINC000005668032 564015096 /nfs/dbraw/zinc/01/50/96/564015096.db2.gz MKOWFEMGYHWEKT-VXPUYCOJSA-N -1 0 338.432 4.476 50 0 EIAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000045923039 564028904 /nfs/dbraw/zinc/02/89/04/564028904.db2.gz MVWDOWWQLGTDQC-IAGOWNOFSA-N -1 0 343.810 4.114 50 0 EIAARM CCCCN(CC)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053482 564029381 /nfs/dbraw/zinc/02/93/81/564029381.db2.gz RKPUQUXJPBLNRJ-UHFFFAOYSA-N -1 0 346.452 4.325 50 0 EIAARM CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000040449494 564047478 /nfs/dbraw/zinc/04/74/78/564047478.db2.gz IMVUKKPHMYWXMN-UHFFFAOYSA-N -1 0 327.380 4.077 50 0 EIAARM O=C([O-])c1ccccc1SCc1csc(-c2ccccn2)n1 ZINC000012750809 564066962 /nfs/dbraw/zinc/06/69/62/564066962.db2.gz DKTKDWCHGSEPIS-UHFFFAOYSA-N -1 0 328.418 4.196 50 0 EIAARM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H]1c1ccccn1 ZINC000084609865 564069050 /nfs/dbraw/zinc/06/90/50/564069050.db2.gz MQVAWDFDZMMCSH-ZDUSSCGKSA-N -1 0 337.206 4.071 50 0 EIAARM COCc1ccsc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000190897905 564084373 /nfs/dbraw/zinc/08/43/73/564084373.db2.gz GAVXYULDENFGMB-UHFFFAOYSA-N -1 0 347.417 4.060 50 0 EIAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000006343443 564085144 /nfs/dbraw/zinc/08/51/44/564085144.db2.gz CAHVHGACQVRTMO-LLVKDONJSA-N -1 0 325.380 4.279 50 0 EIAARM CSCc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000006411724 564085620 /nfs/dbraw/zinc/08/56/20/564085620.db2.gz AHUHLDLWUJKTJW-UHFFFAOYSA-N -1 0 347.292 4.232 50 0 EIAARM O=C([O-])c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000005847030 564087223 /nfs/dbraw/zinc/08/72/23/564087223.db2.gz MURGITYSBWUQTI-UHFFFAOYSA-N -1 0 334.327 4.082 50 0 in-vivo EIAARM O=C([O-])c1ccccc1NN=Cc1ccccc1OCc1ccccc1 ZINC000252477312 564090159 /nfs/dbraw/zinc/09/01/59/564090159.db2.gz LUBOSQIBAGDMFD-UHFFFAOYSA-N -1 0 346.386 4.410 50 0 EIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000298880 564090485 /nfs/dbraw/zinc/09/04/85/564090485.db2.gz JJDSUPROAPQFLB-MSOLQXFVSA-N -1 0 337.375 4.084 50 0 EIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820509 564096567 /nfs/dbraw/zinc/09/65/67/564096567.db2.gz KJJYLWUGPWBQNL-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000006748943 564097048 /nfs/dbraw/zinc/09/70/48/564097048.db2.gz YESGXCLGUWXRRC-UHFFFAOYSA-N -1 0 329.359 4.299 50 0 EIAARM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c2cccnc21 ZINC000065242208 564103417 /nfs/dbraw/zinc/10/34/17/564103417.db2.gz VOLGXSFGSOPBNA-UHFFFAOYSA-N -1 0 349.843 4.071 50 0 EIAARM O=C([O-])c1ccccc1CN=Nc1nc(Cl)c(Cl)cc1Cl ZINC000252452828 564118545 /nfs/dbraw/zinc/11/85/45/564118545.db2.gz HCFWBXFKBBUBDM-UHFFFAOYSA-N -1 0 344.585 4.186 50 0 EIAARM Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2Nc1cccc(O)c1 ZINC000002889532 564152935 /nfs/dbraw/zinc/15/29/35/564152935.db2.gz ZXRQZQZRKPWJNW-UHFFFAOYSA-N -1 0 328.755 4.344 50 0 EIAARM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000008381273 564164813 /nfs/dbraw/zinc/16/48/13/564164813.db2.gz KTQCYOABVYGDNK-RMKNXTFCSA-N -1 0 333.181 4.126 50 0 EIAARM Cc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000033578979 957187263 /nfs/dbraw/zinc/18/72/63/957187263.db2.gz XEDJAYLDKKGKAW-KPKJPENVSA-N -1 0 346.795 4.140 50 0 EIAARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccccc2Cl)c1[O-] ZINC000254797691 1024980071 /nfs/dbraw/zinc/98/00/71/1024980071.db2.gz KKUJTFPRQJTKHJ-UHFFFAOYSA-N -1 0 326.139 4.053 50 0 EIAARM O=C([O-])c1ccccc1SCCSc1nc2ccccc2o1 ZINC000002952362 1027309933 /nfs/dbraw/zinc/30/99/33/1027309933.db2.gz GUHOWGXJSXQZBU-UHFFFAOYSA-N -1 0 331.418 4.410 50 0 EIAARM O=C([O-])c1cccc(-c2ccccc2OC[C@H]2CCOC2)c1Cl ZINC000585091910 1049509229 /nfs/dbraw/zinc/50/92/29/1049509229.db2.gz FOMONZDAKCSXEA-LBPRGKRZSA-N -1 0 332.783 4.121 50 0 EIAARM COc1ccc(C(C(=O)[O-])(c2ccccc2)c2ccccc2)cc1OC ZINC000004342561 210175673 /nfs/dbraw/zinc/17/56/73/210175673.db2.gz MASNQQWEUQCPGQ-UHFFFAOYSA-N -1 0 348.398 4.123 50 0 EIAARM Cc1csc(C(=O)[O-])c1NC(=O)c1c(Cl)cccc1Cl ZINC000004105324 210120271 /nfs/dbraw/zinc/12/02/71/210120271.db2.gz FHFOOAWVOZGCQT-UHFFFAOYSA-N -1 0 330.192 4.314 50 0 EIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000000393490 209567253 /nfs/dbraw/zinc/56/72/53/209567253.db2.gz ORHVEVGCWUVFNC-ZWKOTPCHSA-N -1 0 335.488 4.371 50 0 EIAARM Cc1c2cc(O)ccc2oc(=O)c1-c1ccc(Br)cc1 ZINC000000057826 209393384 /nfs/dbraw/zinc/39/33/84/209393384.db2.gz CIQXJKOAFAITMB-UHFFFAOYSA-N -1 0 331.165 4.237 50 0 EIAARM Cc1c(Cl)cccc1NC(=O)[C@@H](CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000049607 209390862 /nfs/dbraw/zinc/39/08/62/209390862.db2.gz FKGMRMZWDUIXMG-WFASDCNBSA-N -1 0 345.826 4.482 50 0 EIAARM O=C([O-])CCOc1cccc(/C=C\c2nc3ccccc3s2)c1 ZINC000201278140 241039906 /nfs/dbraw/zinc/03/99/06/241039906.db2.gz VARBPQGONSYEIA-HJWRWDBZSA-N -1 0 325.389 4.320 50 0 EIAARM Cc1nn(-c2cc(C)cc(C)c2)c2ncc(C(=O)[O-])c(C(F)(F)F)c12 ZINC000012506028 211394756 /nfs/dbraw/zinc/39/47/56/211394756.db2.gz LPUVHRPRBMDVAU-UHFFFAOYSA-N -1 0 349.312 4.063 50 0 EIAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1cccs1 ZINC000009451133 211085435 /nfs/dbraw/zinc/08/54/35/211085435.db2.gz QRCZTJOADJRKFX-UHFFFAOYSA-N -1 0 329.402 4.427 50 0 EIAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008986848 211027258 /nfs/dbraw/zinc/02/72/58/211027258.db2.gz XHEYPBCCEGVDPS-NSHDSACASA-N -1 0 338.190 4.190 50 0 EIAARM CSc1ccc(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000096765677 218889509 /nfs/dbraw/zinc/88/95/09/218889509.db2.gz YWACBFOKTMQTMZ-QWGHSUKYSA-N -1 0 342.416 4.157 50 0 EIAARM Cc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC000005059656 210378772 /nfs/dbraw/zinc/37/87/72/210378772.db2.gz CFIHGFAAWAKLBO-UHFFFAOYSA-N -1 0 347.370 4.318 50 0 EIAARM COc1cccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)c1 ZINC000004999101 210355040 /nfs/dbraw/zinc/35/50/40/210355040.db2.gz CAEDHLPHRQAEBI-UHFFFAOYSA-N -1 0 341.480 4.406 50 0 EIAARM O=C([O-])c1ccccc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000004776627 210275427 /nfs/dbraw/zinc/27/54/27/210275427.db2.gz FYWIUIOERVHMLG-UHFFFAOYSA-N -1 0 325.151 4.336 50 0 EIAARM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1 ZINC000065003794 258062457 /nfs/dbraw/zinc/06/24/57/258062457.db2.gz GXQKKJNBWXRNKM-UHFFFAOYSA-N -1 0 348.449 4.075 50 0 EIAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1 ZINC000000079606 563218342 /nfs/dbraw/zinc/21/83/42/563218342.db2.gz AXTSTYDSFNQYDT-LLVKDONJSA-N -1 0 342.489 4.294 50 0 EIAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1cccc2cccnc21 ZINC000000251159 563266784 /nfs/dbraw/zinc/26/67/84/563266784.db2.gz OXBCZZJKBQWHRB-UHFFFAOYSA-N -1 0 334.400 4.189 50 0 EIAARM O=C([O-])c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21 ZINC000000266001 563268827 /nfs/dbraw/zinc/26/88/27/563268827.db2.gz FOPDVSATCFBKCH-UHFFFAOYSA-N -1 0 347.326 4.071 50 0 EIAARM Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1C(=O)[O-] ZINC000000616063 563358471 /nfs/dbraw/zinc/35/84/71/563358471.db2.gz PGVDWUCFYFCTDZ-UHFFFAOYSA-N -1 0 341.407 4.008 50 0 EIAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)cc1Cl ZINC000001070543 563373204 /nfs/dbraw/zinc/37/32/04/563373204.db2.gz JNCWVERHMMETMH-UHFFFAOYSA-N -1 0 346.235 4.111 50 0 EIAARM CC1=C(C)C[C@H](C(=O)c2ccc(Br)cc2)[C@@H](C(=O)[O-])C1 ZINC000002304900 563429071 /nfs/dbraw/zinc/42/90/71/563429071.db2.gz WKBLOZSJOWBALR-KBPBESRZSA-N -1 0 337.213 4.079 50 0 EIAARM Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000005277191 563525286 /nfs/dbraw/zinc/52/52/86/563525286.db2.gz CBSPWPMVKJUHTL-DOTOQJQBSA-N -1 0 325.408 4.137 50 0 EIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000006796986 563586794 /nfs/dbraw/zinc/58/67/94/563586794.db2.gz QXXKSLWXZHUHAM-UHFFFAOYSA-N -1 0 330.453 4.239 50 0 EIAARM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc(C)c1Cl ZINC000002761524 563610098 /nfs/dbraw/zinc/61/00/98/563610098.db2.gz RAPHCBHSLCBXRK-LBPRGKRZSA-N -1 0 347.798 4.061 50 0 EIAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013250353 563693116 /nfs/dbraw/zinc/69/31/16/563693116.db2.gz LZNSOEVYCMQQFY-LBPRGKRZSA-N -1 0 338.190 4.190 50 0 EIAARM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000013389065 563697388 /nfs/dbraw/zinc/69/73/88/563697388.db2.gz PULNQTATFAHHRP-SNVBAGLBSA-N -1 0 344.219 4.001 50 0 EIAARM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc([O-])c(Cl)c1 ZINC000024208741 563869658 /nfs/dbraw/zinc/86/96/58/563869658.db2.gz JZSGBCGUDUBUBM-ZDUSSCGKSA-N -1 0 337.803 4.152 50 0 EIAARM O=C([N-]OCc1ccccc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000025284705 563882985 /nfs/dbraw/zinc/88/29/85/563882985.db2.gz MLPHJYXUVMDBNG-UHFFFAOYSA-N -1 0 329.827 4.400 50 0 EIAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@]1(C)C(=O)[O-] ZINC000022779944 563918642 /nfs/dbraw/zinc/91/86/42/563918642.db2.gz ILDYKPGXKROROM-MGPLVRAMSA-N -1 0 344.238 4.459 50 0 EIAARM CC1(C)[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC[C@]1(C)C(=O)[O-] ZINC000022779937 563918695 /nfs/dbraw/zinc/91/86/95/563918695.db2.gz ILDYKPGXKROROM-QLJPJBMISA-N -1 0 344.238 4.459 50 0 EIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000298876 564012322 /nfs/dbraw/zinc/01/23/22/564012322.db2.gz JJDSUPROAPQFLB-QZTJIDSGSA-N -1 0 337.375 4.084 50 0 EIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)Cc1ccc2ccccc2c1 ZINC000008187808 564016078 /nfs/dbraw/zinc/01/60/78/564016078.db2.gz OIXVYDASPWNCQC-UHFFFAOYSA-N -1 0 339.778 4.373 50 0 EIAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2c2c(Cl)cccc21 ZINC000000488289 564017354 /nfs/dbraw/zinc/01/73/54/564017354.db2.gz RGOIRMSFDXYJFH-OTYXRUKQSA-N -1 0 327.767 4.247 50 0 biogenic EIAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccc(Cl)cc1)CCC3 ZINC000017072480 564024902 /nfs/dbraw/zinc/02/49/02/564024902.db2.gz ATCMLEZLXPDJGU-UHFFFAOYSA-N -1 0 348.880 4.311 50 0 EIAARM CCCN(CCC)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053377 564029362 /nfs/dbraw/zinc/02/93/62/564029362.db2.gz VAAVXBJOJWSUBB-UHFFFAOYSA-N -1 0 346.452 4.325 50 0 EIAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000008274431 564035088 /nfs/dbraw/zinc/03/50/88/564035088.db2.gz MUOAYJMNGJCZMM-UHFFFAOYSA-N -1 0 335.812 4.231 50 0 EIAARM O=c1c2ccccc2[n-]c(=S)n1[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000012538937 564058455 /nfs/dbraw/zinc/05/84/55/564058455.db2.gz MRRLFRUHBSEITB-VHSXEESVSA-N -1 0 328.359 4.353 50 0 EIAARM CCCCN(C)c1ccc(NC(=O)c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000064588705 564092554 /nfs/dbraw/zinc/09/25/54/564092554.db2.gz MYHDAJSOSWVHLN-UHFFFAOYSA-N -1 0 340.423 4.182 50 0 EIAARM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)s1 ZINC000238048776 564094622 /nfs/dbraw/zinc/09/46/22/564094622.db2.gz QVBHXCHXBICTMP-UHFFFAOYSA-N -1 0 331.393 4.020 50 0 EIAARM CCN(CC)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820355 564096589 /nfs/dbraw/zinc/09/65/89/564096589.db2.gz OMVFURCQGXSOQK-UHFFFAOYSA-N -1 0 346.814 4.137 50 0 EIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1-c1ccno1 ZINC000064845241 564096866 /nfs/dbraw/zinc/09/68/66/564096866.db2.gz DYUFGRKWOGIVQL-UHFFFAOYSA-N -1 0 348.449 4.129 50 0 EIAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000006748951 564097064 /nfs/dbraw/zinc/09/70/64/564097064.db2.gz QNQQBVKRMPIQDA-UHFFFAOYSA-N -1 0 347.349 4.438 50 0 EIAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)o1 ZINC000006846655 564099572 /nfs/dbraw/zinc/09/95/72/564099572.db2.gz ZEBKBKAAUYQXTE-UHFFFAOYSA-N -1 0 332.153 4.264 50 0 EIAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000007053015 564103868 /nfs/dbraw/zinc/10/38/68/564103868.db2.gz AUFURVQPMKTRCP-UHFFFAOYSA-N -1 0 333.453 4.038 50 0 EIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C ZINC000014256064 564112381 /nfs/dbraw/zinc/11/23/81/564112381.db2.gz GMUJUQOUKFIJQA-UHFFFAOYSA-N -1 0 329.343 4.123 50 0 EIAARM Cc1c(C)n(-c2cccc(Cl)c2)c2nc(C(=O)[O-])nc(Cl)c12 ZINC000075874135 564113072 /nfs/dbraw/zinc/11/30/72/564113072.db2.gz JRAYYOPMNKTIQI-UHFFFAOYSA-N -1 0 336.178 4.042 50 0 EIAARM O=C([O-])c1cc2c(Br)sc(Br)c2s1 ZINC000091301385 564118260 /nfs/dbraw/zinc/11/82/60/564118260.db2.gz LZZZIBXZKLAXSO-UHFFFAOYSA-N -1 0 342.033 4.186 50 0 EIAARM O=C([N-]OCc1ccccc1)C1c2ccccc2Oc2ccccc21 ZINC000007791482 564123405 /nfs/dbraw/zinc/12/34/05/564123405.db2.gz IGLXOBKDXFCRDV-UHFFFAOYSA-N -1 0 331.371 4.172 50 0 EIAARM CC(C)c1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2O)cc1 ZINC000002705825 564152175 /nfs/dbraw/zinc/15/21/75/564152175.db2.gz RUNSPMUJQBRGGE-UHFFFAOYSA-N -1 0 345.395 4.036 50 0 EIAARM Cc1ccc2[n-]cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)c2c1 ZINC000057354763 564153658 /nfs/dbraw/zinc/15/36/58/564153658.db2.gz JYPJOVZCWYAONG-UHFFFAOYSA-N -1 0 337.766 4.207 50 0 EIAARM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581907 564164953 /nfs/dbraw/zinc/16/49/53/564164953.db2.gz XUHWDNIXGOQNIN-UGSOOPFHSA-N -1 0 345.826 4.000 50 0 EIAARM COc1ccc(CCCc2n[n-]c(=S)n2-c2ccccc2)cc1C ZINC000004735926 210264321 /nfs/dbraw/zinc/26/43/21/210264321.db2.gz DTHHFJAWBZETEM-UHFFFAOYSA-N -1 0 339.464 4.422 50 0 EIAARM CCOc1c(Cl)cc(/C=C/c2ncc(C(=O)[O-])s2)cc1OC ZINC000058406996 214576681 /nfs/dbraw/zinc/57/66/81/214576681.db2.gz BZCKDFNXXAOPNE-SNAWJCMRSA-N -1 0 339.800 4.072 50 0 EIAARM Oc1ccc(-c2n[n-]c(=S)n2-c2cccc3ccccc32)c(O)c1 ZINC000004575495 210225252 /nfs/dbraw/zinc/22/52/52/210225252.db2.gz ISNBTODJGDBLAZ-UHFFFAOYSA-N -1 0 335.388 4.161 50 0 EIAARM O=C([O-])CCCCCNc1ncnc2scc(-c3ccccc3)c21 ZINC000004476217 210197112 /nfs/dbraw/zinc/19/71/12/210197112.db2.gz CZCFHYFSLLIVMT-UHFFFAOYSA-N -1 0 341.436 4.415 50 0 EIAARM Cc1[n-]n2c(nc(C)c(CCC(C)C)c2=O)c1-c1ccc(F)cc1 ZINC000102080779 219184995 /nfs/dbraw/zinc/18/49/95/219184995.db2.gz MUXFIRBFDVYTEO-UHFFFAOYSA-N -1 0 327.403 4.446 50 0 EIAARM CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000002483604 209856939 /nfs/dbraw/zinc/85/69/39/209856939.db2.gz GOYXMRWLLJEHAV-UHFFFAOYSA-N -1 0 343.448 4.485 50 0 EIAARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000040312598 213291482 /nfs/dbraw/zinc/29/14/82/213291482.db2.gz AYATVPRLCRTHPB-OAHLLOKOSA-N -1 0 348.358 4.005 50 0 biogenic EIAARM CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000000134437 209441400 /nfs/dbraw/zinc/44/14/00/209441400.db2.gz PSVAWTCLEAVBHQ-UHFFFAOYSA-N -1 0 338.359 4.023 50 0 biogenic EIAARM O=C([O-])C[C@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000000069519 209399271 /nfs/dbraw/zinc/39/92/71/209399271.db2.gz JIQUCSVRHVPBKE-KRWDZBQOSA-N -1 0 337.419 4.153 50 0 EIAARM Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000043117 209386684 /nfs/dbraw/zinc/38/66/84/209386684.db2.gz CYRWMDIDRVATIQ-MRXNPFEDSA-N -1 0 334.824 4.467 50 0 EIAARM COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccccc2C)cc3=O)cc1 ZINC000253496409 244006860 /nfs/dbraw/zinc/00/68/60/244006860.db2.gz DFENKCDOMVMGLL-UHFFFAOYSA-N -1 0 345.402 4.394 50 0 EIAARM Cc1cccc2c1ncc(C(=O)[O-])c2Nc1cccc(C(F)(F)F)c1 ZINC000019795519 212069354 /nfs/dbraw/zinc/06/93/54/212069354.db2.gz FMSSDOXVDIITJJ-UHFFFAOYSA-N -1 0 346.308 4.426 50 0 EIAARM Cc1c2cc3c(cc2nc(-c2ccc(Cl)cc2)c1C(=O)[O-])OCO3 ZINC000018196852 211988481 /nfs/dbraw/zinc/98/84/81/211988481.db2.gz HNZGYRLIJZGBIX-UHFFFAOYSA-N -1 0 341.750 4.291 50 0 EIAARM Cc1ccc(-c2n[n-]c(Nc3ccc(Cl)c(Cl)c3)nc2=O)cc1 ZINC000016777324 211934576 /nfs/dbraw/zinc/93/45/76/211934576.db2.gz RPQBPDXHPFJFGM-UHFFFAOYSA-N -1 0 347.205 4.191 50 0 EIAARM Cc1cccc(N[C@H](c2ccc3ccccc3c2)[P@@](=O)([O-])O)c1 ZINC000012523577 211398105 /nfs/dbraw/zinc/39/81/05/211398105.db2.gz KXCAYIGWYCCKRL-SFHVURJKSA-N -1 0 327.320 4.437 50 0 EIAARM Cc1nc2c(-c3ccc(Cl)cc3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000009041391 211032641 /nfs/dbraw/zinc/03/26/41/211032641.db2.gz JALASGSZXXYNAM-UHFFFAOYSA-N -1 0 349.821 4.242 50 0 EIAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000008904633 211016609 /nfs/dbraw/zinc/01/66/09/211016609.db2.gz NBLUHAVWSGZTDV-UHFFFAOYSA-N -1 0 347.370 4.216 50 0 EIAARM O=C([O-])CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000008829937 211008798 /nfs/dbraw/zinc/00/87/98/211008798.db2.gz FQTRIPHZPZEULK-UHFFFAOYSA-N -1 0 345.807 4.438 50 0 EIAARM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000005123756 210395478 /nfs/dbraw/zinc/39/54/78/210395478.db2.gz PZTHSMGDNLMKFV-JTQLQIEISA-N -1 0 335.812 4.158 50 0 EIAARM Cc1ccccc1CN(CC(C)C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000097295325 219010110 /nfs/dbraw/zinc/01/01/10/219010110.db2.gz OPSPLMCDKDJODI-UHFFFAOYSA-N -1 0 331.437 4.053 50 0 EIAARM COc1ccc(Oc2ccc(-c3noc(C)c3C(=O)[O-])cc2)cc1 ZINC000328579062 258017627 /nfs/dbraw/zinc/01/76/27/258017627.db2.gz METKAUJZYKZCHF-UHFFFAOYSA-N -1 0 325.320 4.149 50 0 EIAARM Cc1cccc(-c2nc(-c3cc(Br)cs3)no2)c1O ZINC000071306188 563916447 /nfs/dbraw/zinc/91/64/47/563916447.db2.gz WMQVCEBKGZDZDI-UHFFFAOYSA-N -1 0 337.198 4.242 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000072383 563215854 /nfs/dbraw/zinc/21/58/54/563215854.db2.gz JNCSQROSIMRUQO-ROUUACIJSA-N -1 0 339.391 4.308 50 0 EIAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000000109867 563229306 /nfs/dbraw/zinc/22/93/06/563229306.db2.gz OHMNZXDXOKJCME-PMACEKPBSA-N -1 0 349.430 4.385 50 0 EIAARM CNC(=O)c1ccccc1Sc1cccc2cccc(C(=O)[O-])c21 ZINC000000133931 563239876 /nfs/dbraw/zinc/23/98/76/563239876.db2.gz VJDDYENQXYSZIF-UHFFFAOYSA-N -1 0 337.400 4.049 50 0 EIAARM O=C([O-])[C@@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1Cl ZINC000000137073 563240739 /nfs/dbraw/zinc/24/07/39/563240739.db2.gz DDXHUKKFOWCFKU-RHSMWYFYSA-N -1 0 335.831 4.037 50 0 EIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1 ZINC000000341520 563286596 /nfs/dbraw/zinc/28/65/96/563286596.db2.gz KFVGZZOPPLKTMG-UHFFFAOYSA-N -1 0 345.398 4.024 50 0 EIAARM Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)no1 ZINC000000815121 563364111 /nfs/dbraw/zinc/36/41/11/563364111.db2.gz DVWXMLDTVQAQOR-UHFFFAOYSA-N -1 0 338.150 4.197 50 0 EIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)[O-] ZINC000002644006 563444893 /nfs/dbraw/zinc/44/48/93/563444893.db2.gz NVEBATPMKXCMFC-AATRIKPKSA-N -1 0 345.613 4.298 50 0 EIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000002888504 563462024 /nfs/dbraw/zinc/46/20/24/563462024.db2.gz YGTICRVPMWKKIE-UHFFFAOYSA-N -1 0 333.453 4.038 50 0 EIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000006668225 563577525 /nfs/dbraw/zinc/57/75/25/563577525.db2.gz IAOHTVXMLUTPEE-CABCVRRESA-N -1 0 341.407 4.141 50 0 EIAARM Cc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)c(C)c1 ZINC000016777064 563822860 /nfs/dbraw/zinc/82/28/60/563822860.db2.gz GPNNOJYTALLMFI-UHFFFAOYSA-N -1 0 340.814 4.182 50 0 EIAARM CCc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000016777329 563823386 /nfs/dbraw/zinc/82/33/86/563823386.db2.gz LLCPXVDEMQQDIM-UHFFFAOYSA-N -1 0 340.814 4.127 50 0 EIAARM CCc1c(C)sc2[n-]c(=S)n(Cc3ccc(F)cc3)c(=O)c12 ZINC000017070491 563832707 /nfs/dbraw/zinc/83/27/07/563832707.db2.gz ORUMAANHPGYMTA-UHFFFAOYSA-N -1 0 334.441 4.179 50 0 EIAARM O=C(NCCCSc1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000024729516 563874663 /nfs/dbraw/zinc/87/46/63/563874663.db2.gz INKTXTMXQKRWDP-UHFFFAOYSA-N -1 0 339.819 4.097 50 0 EIAARM COc1cccc(-c2nc3ccccc3c(NC3CCCC3)n2)c1[O-] ZINC000096901699 563968572 /nfs/dbraw/zinc/96/85/72/563968572.db2.gz GJRFSBHLTQGPQZ-UHFFFAOYSA-N -1 0 335.407 4.366 50 0 EIAARM C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)[O-])cc4)c32)C1 ZINC000000144688 563987177 /nfs/dbraw/zinc/98/71/77/563987177.db2.gz WLHCLBCOEGXXQF-SNVBAGLBSA-N -1 0 339.420 4.258 50 0 EIAARM O=c1oc2cc([O-])ccc2cc1-c1csc(Nc2ccccc2)n1 ZINC000000273812 563990115 /nfs/dbraw/zinc/99/01/15/563990115.db2.gz SMJAIKLLIPKQPL-UHFFFAOYSA-N -1 0 336.372 4.366 50 0 EIAARM O=C([O-])CCCNc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000005158479 563995272 /nfs/dbraw/zinc/99/52/72/563995272.db2.gz XVVQJTCYOQAOIA-UHFFFAOYSA-N -1 0 347.374 4.320 50 0 EIAARM O=c1nc[n-]c2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 ZINC000005218732 564001149 /nfs/dbraw/zinc/00/11/49/564001149.db2.gz PMAZJNLQPMCFRD-UHFFFAOYSA-N -1 0 333.416 4.079 50 0 EIAARM Cc1ccc(-c2cc(C(F)F)nc3sc4c([n-]cnc4=O)c32)cc1 ZINC000018162315 564018498 /nfs/dbraw/zinc/01/84/98/564018498.db2.gz CVYOXKFJIJOEPI-UHFFFAOYSA-N -1 0 343.358 4.446 50 0 EIAARM CC(C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000005690020 564018914 /nfs/dbraw/zinc/01/89/14/564018914.db2.gz AXUVZEYWXFGBJO-BJMVGYQFSA-N -1 0 332.208 4.144 50 0 EIAARM COc1ccccc1-c1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000005729881 564024416 /nfs/dbraw/zinc/02/44/16/564024416.db2.gz TYNKRRODOIVTEL-UHFFFAOYSA-N -1 0 336.265 4.193 50 0 biogenic EIAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000045923075 564028890 /nfs/dbraw/zinc/02/88/90/564028890.db2.gz WJPUZSWLMNWOFO-DLBZAZTESA-N -1 0 343.810 4.114 50 0 EIAARM CCOc1ccc(N[C@@H](c2cccc(Cl)c2)[P@@](=O)([O-])O)cc1 ZINC000012540633 564058668 /nfs/dbraw/zinc/05/86/68/564058668.db2.gz JBNCAGCDLSOCGZ-OAHLLOKOSA-N -1 0 341.731 4.027 50 0 EIAARM Cc1cccc([C@H](Nc2ccc(C)c(Cl)c2)[P@@](=O)([O-])O)c1 ZINC000012950425 564080171 /nfs/dbraw/zinc/08/01/71/564080171.db2.gz FRUOVBNOHOPBKA-OAHLLOKOSA-N -1 0 325.732 4.245 50 0 EIAARM O=C([O-])c1cccc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000006414450 564085627 /nfs/dbraw/zinc/08/56/27/564085627.db2.gz FNGDQHMRRSQVLN-UHFFFAOYSA-N -1 0 345.811 4.116 50 0 EIAARM O=C([O-])[C@@H](CC(=O)c1ccc(F)cc1)Sc1ccc(Cl)cc1 ZINC000006882977 564100628 /nfs/dbraw/zinc/10/06/28/564100628.db2.gz YOSTYLCSFOUGCX-OAHLLOKOSA-N -1 0 338.787 4.297 50 0 EIAARM Cc1c(Cl)cccc1NC[C@@H](CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000016991400 564115951 /nfs/dbraw/zinc/11/59/51/564115951.db2.gz PYFNWWZLPZEEOU-GFCCVEGCSA-N -1 0 343.814 4.195 50 0 EIAARM O=C([O-])c1c(NC(=O)c2cccs2)scc1-c1cccs1 ZINC000002293505 564131731 /nfs/dbraw/zinc/13/17/31/564131731.db2.gz AHBCTZJURANERV-UHFFFAOYSA-N -1 0 335.431 4.489 50 0 EIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000002616453 564151138 /nfs/dbraw/zinc/15/11/38/564151138.db2.gz IYXBRGJJBQEPRQ-UHFFFAOYSA-N -1 0 339.844 4.273 50 0 EIAARM Cc1ccc2[n-]cc(-c3nc(-c4cccc(Cl)c4)no3)c(=O)c2c1 ZINC000057354761 564153651 /nfs/dbraw/zinc/15/36/51/564153651.db2.gz YAUXSAZDTSZMAC-UHFFFAOYSA-N -1 0 337.766 4.207 50 0 EIAARM Cc1cc2sc(NC(=O)c3ncoc3[C@H]3CCCO3)nc2c(C)c1 ZINC000070014349 564173317 /nfs/dbraw/zinc/17/33/17/564173317.db2.gz GPWRFHNWUOVICB-LLVKDONJSA-N -1 0 343.408 4.005 50 0 EIAARM