smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([C@@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)sc1C ZINC000408409631 1092677176 /nfs/dbraw/zinc/67/71/76/1092677176.db2.gz AQJZNWAOXRIYQC-LLVKDONJSA-N -1 0 368.861 4.278 10 0 FIAERM CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000003223073 204083789 /nfs/dbraw/zinc/08/37/89/204083789.db2.gz GZPWQYNLYYAAGZ-SQWLQELKSA-N -1 0 350.480 4.481 10 0 FIAERM C[C@H](Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000002541766 204044065 /nfs/dbraw/zinc/04/40/65/204044065.db2.gz QMGQLXRSCVKJRG-VIFPVBQESA-N -1 0 354.189 4.098 10 0 FIAERM C[C@](CC(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)[O-] ZINC000005723626 204222114 /nfs/dbraw/zinc/22/21/14/204222114.db2.gz OPWFJWILIVQESD-INIZCTEOSA-N -1 0 373.257 4.369 10 0 FIAERM CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000009694234 204378905 /nfs/dbraw/zinc/37/89/05/204378905.db2.gz UFBWEZQXCXNNAW-UHFFFAOYSA-N -1 0 354.406 4.012 10 0 FIAERM Cc1ccc(OCC(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000020334030 204720265 /nfs/dbraw/zinc/72/02/65/204720265.db2.gz LLLYEAYDSGDCBX-UHFFFAOYSA-N -1 0 367.426 4.439 10 0 FIAERM O=C([O-])CCCCC(F)(F)c1ccc(I)cc1 ZINC000035324638 204989061 /nfs/dbraw/zinc/98/90/61/204989061.db2.gz NFWBLWALHAWCBZ-UHFFFAOYSA-N -1 0 354.134 4.028 10 0 FIAERM CCc1c(C)nc(N(c2ccccc2)c2ccccc2)nc1OCC(=O)[O-] ZINC000073698891 205033439 /nfs/dbraw/zinc/03/34/39/205033439.db2.gz OLAJSRXCEYIHRJ-UHFFFAOYSA-N -1 0 363.417 4.281 10 0 FIAERM O=C([O-])c1ccc(Nc2cc(-c3cccnc3)nc(-c3cccnc3)n2)cc1 ZINC000073683266 205033637 /nfs/dbraw/zinc/03/36/37/205033637.db2.gz XGMBIJAEOXDDHK-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])CCCn1nc(-c2ccccc2)c2cc(Br)ccc21 ZINC000049453309 205171320 /nfs/dbraw/zinc/17/13/20/205171320.db2.gz OWOWDBAPJOWQOK-UHFFFAOYSA-N -1 0 359.223 4.331 10 0 FIAERM O=C([O-])Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000049454045 205171593 /nfs/dbraw/zinc/17/15/93/205171593.db2.gz JLFMOFGLFRDKIW-UHFFFAOYSA-N -1 0 363.804 4.368 10 0 FIAERM O=C([O-])c1cc2ncccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000141116998 206135899 /nfs/dbraw/zinc/13/58/99/206135899.db2.gz ASPGNCDILNOTCI-UHFFFAOYSA-N -1 0 359.794 4.153 10 0 FIAERM O=C([O-])Cc1cn(Cc2ccc(Br)s2)c2ccccc12 ZINC000020074419 206328347 /nfs/dbraw/zinc/32/83/47/206328347.db2.gz GTMQTAPNSNFIQB-UHFFFAOYSA-N -1 0 350.237 4.141 10 0 FIAERM O=c1c(Cc2ccccc2)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000103605132 132237651 /nfs/dbraw/zinc/23/76/51/132237651.db2.gz LSSPOECIMGNPPD-UHFFFAOYSA-N -1 0 370.408 4.045 10 0 FIAERM CC(C)c1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073679575 535369613 /nfs/dbraw/zinc/36/96/13/535369613.db2.gz OJFVOHQQWUQGOW-INIZCTEOSA-N -1 0 359.857 4.364 10 0 FIAERM CCc1cc(Nc2cccc(C(=O)[O-])c2)nc(N2CCc3ccccc3C2)n1 ZINC000045947666 536153419 /nfs/dbraw/zinc/15/34/19/536153419.db2.gz RLLUTVCJYCNQNR-UHFFFAOYSA-N -1 0 374.444 4.044 10 0 FIAERM CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000012312223 570735944 /nfs/dbraw/zinc/73/59/44/570735944.db2.gz GZPWQYNLYYAAGZ-DZKIICNBSA-N -1 0 350.480 4.481 10 0 FIAERM O=c1c2cc(F)ccc2[n-]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015828786 571129912 /nfs/dbraw/zinc/12/99/12/571129912.db2.gz OXGYZMAYPQMGPL-UHFFFAOYSA-N -1 0 372.204 4.219 10 0 FIAERM O=C([O-])CC[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000134394875 571276389 /nfs/dbraw/zinc/27/63/89/571276389.db2.gz AHXAXVGBIUAVOD-HNNXBMFYSA-N -1 0 365.429 4.122 10 0 FIAERM Cc1nc([C@H]2CCCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)sc1C ZINC000408416179 1092730070 /nfs/dbraw/zinc/73/00/70/1092730070.db2.gz SBMKMDJYWNJEJI-NSHDSACASA-N -1 0 368.861 4.278 10 0 FIAERM Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])no1 ZINC000408416438 1092733022 /nfs/dbraw/zinc/73/30/22/1092733022.db2.gz SZCVDDPBELSRHN-GFCCVEGCSA-N -1 0 370.236 4.148 10 0 FIAERM CC(=O)c1cc(Cl)cc(Cc2cc(Cl)cc(C(C)=O)c2O)c1[O-] ZINC000001509106 204011349 /nfs/dbraw/zinc/01/13/49/204011349.db2.gz RKQBHMHLZHAOLR-UHFFFAOYSA-N -1 0 353.201 4.401 10 0 FIAERM COC(=O)c1ccc2nc([N-]c3nc4cc(OC)ccc4s3)sc2c1 ZINC000005122844 204192461 /nfs/dbraw/zinc/19/24/61/204192461.db2.gz VHURFGJTQIOIPM-UHFFFAOYSA-N -1 0 371.443 4.445 10 0 FIAERM Cc1ccc(C[C@H](C(=O)Nc2cccc(Cl)c2C)[C@H](C)C(=O)[O-])cc1 ZINC000005175326 204195581 /nfs/dbraw/zinc/19/55/81/204195581.db2.gz IUAVLCIULDMQHK-BBRMVZONSA-N -1 0 359.853 4.475 10 0 FIAERM O=C([O-])c1csc(-n2nc(/C=C\c3ccccc3)cc2C(F)(F)F)n1 ZINC000005242842 204199161 /nfs/dbraw/zinc/19/91/61/204199161.db2.gz LFPUQHWQRPZNJK-SREVYHEPSA-N -1 0 365.336 4.216 10 0 FIAERM O=C([O-])c1c2ccccc2nc(-c2ccccc2)c1-n1nnc2ccccc21 ZINC000005775425 204224405 /nfs/dbraw/zinc/22/44/05/204224405.db2.gz KIXRWVKIWNLXBA-UHFFFAOYSA-N -1 0 366.380 4.334 10 0 FIAERM O=C([O-])c1cnc(C(F)(F)C(F)(F)F)nc1-c1ccccc1Cl ZINC000008699919 204338423 /nfs/dbraw/zinc/33/84/23/204338423.db2.gz ZRUBOJKUHRNUKR-UHFFFAOYSA-N -1 0 352.646 4.149 10 0 FIAERM O=C([O-])c1c(NC(=O)CCOc2ccccc2)sc2c1CCCCC2 ZINC000020334885 204720467 /nfs/dbraw/zinc/72/04/67/204720467.db2.gz WVXNHPZXFKXCEN-UHFFFAOYSA-N -1 0 359.447 4.123 10 0 FIAERM CN(CC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-])c1ccccc1 ZINC000020342572 204721655 /nfs/dbraw/zinc/72/16/55/204721655.db2.gz VHZBSAMAGAXWOT-UHFFFAOYSA-N -1 0 366.442 4.188 10 0 FIAERM Cc1sc(NC(=O)c2ccccc2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000036627561 205018849 /nfs/dbraw/zinc/01/88/49/205018849.db2.gz XUVMQFSOTLWBLA-UHFFFAOYSA-N -1 0 356.378 4.208 10 0 FIAERM Cc1ccc2c(n1)nc(C)cc2Nc1ccc(Br)cc1C(=O)[O-] ZINC000047162381 205143063 /nfs/dbraw/zinc/14/30/63/205143063.db2.gz ADBSSACUCRBWOB-UHFFFAOYSA-N -1 0 372.222 4.451 10 0 FIAERM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000013166207 206300918 /nfs/dbraw/zinc/30/09/18/206300918.db2.gz XFBPJIDPKAGOMV-SOFGYWHQSA-N -1 0 350.201 4.021 10 0 FIAERM O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000073679147 132376701 /nfs/dbraw/zinc/37/67/01/132376701.db2.gz DURHNXIAFHSJNF-IBGZPJMESA-N -1 0 359.429 4.254 10 0 FIAERM Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000073680139 132376871 /nfs/dbraw/zinc/37/68/71/132376871.db2.gz AJFJMSRCZUAKQP-IBGZPJMESA-N -1 0 373.456 4.420 10 0 FIAERM Cc1nc2ccnn2c(N)c1-c1ccc(C2CCC(CC(=O)[O-])CC2)cc1 ZINC000087493409 527183411 /nfs/dbraw/zinc/18/34/11/527183411.db2.gz LYPMYBNOVALMTR-UHFFFAOYSA-N -1 0 364.449 4.035 10 0 FIAERM CCCC[C@H]1CN(c2ccccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000039952672 535071898 /nfs/dbraw/zinc/07/18/98/535071898.db2.gz DWTLBPLBXYRQMV-HNNXBMFYSA-N -1 0 362.470 4.001 10 0 FIAERM CC(C)(C)[C@@H]1CCc2c(sc(I)c2C(=O)[O-])C1 ZINC000725245658 570447567 /nfs/dbraw/zinc/44/75/67/570447567.db2.gz DTEBQJMBCHOOKD-SSDOTTSWSA-N -1 0 364.248 4.202 10 0 FIAERM O=C([O-])/C=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000219622989 570624955 /nfs/dbraw/zinc/62/49/55/570624955.db2.gz BKOBFLVYTXYFQZ-OWOJBTEDSA-N -1 0 358.078 4.028 10 0 FIAERM O=c1c(-c2nc(-c3ccccc3Br)no2)c[n-]c2ccccc21 ZINC000096324550 571068463 /nfs/dbraw/zinc/06/84/63/571068463.db2.gz NLSWNFHUKRKTLV-UHFFFAOYSA-N -1 0 368.190 4.008 10 0 FIAERM O=C([O-])CCN(CC1CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000717171258 571108546 /nfs/dbraw/zinc/10/85/46/571108546.db2.gz GWMKUAARSZNUTO-UHFFFAOYSA-N -1 0 365.429 4.122 10 0 FIAERM C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1CCC1 ZINC000306303271 571111368 /nfs/dbraw/zinc/11/13/68/571111368.db2.gz HLQRMGAZRYUSQB-JOCHJYFZSA-N -1 0 365.429 4.169 10 0 FIAERM COC(C)(C)c1cc2c(cc3occ(-c4ccc(O)cc4)c(=O)c3c2[O-])o1 ZINC000261492521 571164727 /nfs/dbraw/zinc/16/47/27/571164727.db2.gz ZOHYOAYYYIFCIL-UHFFFAOYSA-N -1 0 366.369 4.499 10 0 FIAERM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000408408672 1092566388 /nfs/dbraw/zinc/56/63/88/1092566388.db2.gz PXQPBYXRWLTPNQ-DWZYQQQCSA-N -1 0 372.292 4.101 10 0 FIAERM C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000408412357 1092718787 /nfs/dbraw/zinc/71/87/87/1092718787.db2.gz AHJFLYMKZKKDLH-WRSAYESZSA-N -1 0 372.292 4.245 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000114630521 1102546239 /nfs/dbraw/zinc/54/62/39/1102546239.db2.gz CYCNGEVEDRNHOA-SECBINFHSA-N -1 0 357.262 4.175 10 0 FIAERM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000175223068 1119341941 /nfs/dbraw/zinc/34/19/41/1119341941.db2.gz GFPRMUZIPGYVOT-CYBMUJFWSA-N -1 0 368.264 4.027 10 0 FIAERM COc1cccc2sc([N-]c3nc4cc5c(cc4s3)OCCO5)nc21 ZINC000004265948 204129723 /nfs/dbraw/zinc/12/97/23/204129723.db2.gz IAAOAKGSBFUJCY-UHFFFAOYSA-N -1 0 371.443 4.429 10 0 FIAERM CC(C)c1ccc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)cc1 ZINC000005592263 204216959 /nfs/dbraw/zinc/21/69/59/204216959.db2.gz FVSPDAFLSPVYIJ-UHFFFAOYSA-N -1 0 354.358 4.172 10 0 FIAERM O=C([O-])c1cc(O)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000005750446 204222948 /nfs/dbraw/zinc/22/29/48/204222948.db2.gz OEOODCCPQQLXBQ-UHFFFAOYSA-N -1 0 369.417 4.156 10 0 FIAERM C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)c1nc(C(=O)[O-])cs1 ZINC000008028405 204315615 /nfs/dbraw/zinc/31/56/15/204315615.db2.gz QFFYYEMYKWBHMY-LBPRGKRZSA-N -1 0 368.414 4.376 10 0 FIAERM O=C([O-])COc1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073662164 205032108 /nfs/dbraw/zinc/03/21/08/205032108.db2.gz UKJWEPZGEQHZHB-UHFFFAOYSA-N -1 0 374.318 4.293 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3ccncc3)nc(-c3ccncc3)n2)c1 ZINC000073683659 205033137 /nfs/dbraw/zinc/03/31/37/205033137.db2.gz JXUBHWILYCHPPY-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 ZINC000073682651 205033445 /nfs/dbraw/zinc/03/34/45/205033445.db2.gz IEKSAVUGJNECQM-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM C[C@H](CC(=O)[O-])CC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000061835395 205287856 /nfs/dbraw/zinc/28/78/56/205287856.db2.gz RQZIVMMZKZNFMS-LURJTMIESA-N -1 0 369.042 4.195 10 0 FIAERM Cc1cccc(-c2c(C(=O)[O-])nnn2Cc2cccc(C(F)(F)F)c2)c1 ZINC000070457166 205420117 /nfs/dbraw/zinc/42/01/17/205420117.db2.gz VADOWGMFMUNBMO-UHFFFAOYSA-N -1 0 361.323 4.019 10 0 FIAERM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000014784184 206312653 /nfs/dbraw/zinc/31/26/53/206312653.db2.gz UNYCZWCOKHZBGL-IRXDYDNUSA-N -1 0 353.418 4.095 10 0 FIAERM O=C([O-])[C@@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1 ZINC000095743876 132215862 /nfs/dbraw/zinc/21/58/62/132215862.db2.gz ONZOOSLJHMJVCM-HNNXBMFYSA-N -1 0 366.642 4.291 10 0 FIAERM COC(=O)c1ccc2c(c1)[n-]c(=S)n([C@@H](C)CCc1ccccc1)c2=O ZINC000073660826 522184559 /nfs/dbraw/zinc/18/45/59/522184559.db2.gz FGKFAJMGGJWGHW-ZDUSSCGKSA-N -1 0 368.458 4.039 10 0 FIAERM Cc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(OCC(=O)[O-])c1C ZINC000073700046 527004796 /nfs/dbraw/zinc/00/47/96/527004796.db2.gz YEROPIAVPYNAPU-UHFFFAOYSA-N -1 0 365.389 4.093 10 0 FIAERM O=C([O-])CSc1cc(-c2cccnc2)nc(-c2cccc(Cl)c2)n1 ZINC000073695693 527621525 /nfs/dbraw/zinc/62/15/25/527621525.db2.gz OULTVHZJTONKJD-UHFFFAOYSA-N -1 0 357.822 4.036 10 0 FIAERM CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2cccc(Cl)c2)n1 ZINC000073680573 535397434 /nfs/dbraw/zinc/39/74/34/535397434.db2.gz UOMRXJQDJJAHIK-AWEZNQCLSA-N -1 0 359.857 4.051 10 0 FIAERM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000006751748 570653615 /nfs/dbraw/zinc/65/36/15/570653615.db2.gz OGZZVAOWYBNUKV-CQSZACIVSA-N -1 0 360.797 4.248 10 0 FIAERM O=C([O-])c1ccc(-c2nc(C(F)(F)F)c(Br)s2)cc1 ZINC000616579718 571145425 /nfs/dbraw/zinc/14/54/25/571145425.db2.gz VGWGGVPFTWERFS-UHFFFAOYSA-N -1 0 352.131 4.290 10 0 FIAERM CC[C@H]1CC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240590 571233351 /nfs/dbraw/zinc/23/33/51/571233351.db2.gz PJMAWAHJCXIWLD-VBKZILBWSA-N -1 0 365.429 4.263 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000179772817 1088760209 /nfs/dbraw/zinc/76/02/09/1088760209.db2.gz LJTRKSQLTKYMSK-GWCFXTLKSA-N -1 0 356.249 4.063 10 0 FIAERM CC(C)(C)c1ccccc1Oc1coc2cc(OCC(=O)[O-])ccc2c1=O ZINC000005592269 204216694 /nfs/dbraw/zinc/21/66/94/204216694.db2.gz KLDWTBJZJFRRBX-UHFFFAOYSA-N -1 0 368.385 4.346 10 0 FIAERM COc1cccc(OCc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)c1 ZINC000005592513 204216886 /nfs/dbraw/zinc/21/68/86/204216886.db2.gz DTJOKFQDOMOING-UHFFFAOYSA-N -1 0 355.415 4.404 10 0 FIAERM C[C@@](CC(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)[O-] ZINC000005722461 204222211 /nfs/dbraw/zinc/22/22/11/204222211.db2.gz OPWFJWILIVQESD-MRXNPFEDSA-N -1 0 373.257 4.369 10 0 FIAERM Cc1ccc(-n2c(SCCC(=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000005812789 204225523 /nfs/dbraw/zinc/22/55/23/204225523.db2.gz KBHZXFFTJFERRD-UHFFFAOYSA-N -1 0 373.865 4.463 10 0 FIAERM Cc1ccc(SCc2c(C(=O)[O-])nnn2-c2ccc(Cl)cc2)cc1 ZINC000011730649 204413139 /nfs/dbraw/zinc/41/31/39/204413139.db2.gz NVILWLRYGPMMJU-UHFFFAOYSA-N -1 0 359.838 4.220 10 0 FIAERM Cc1ccc(-c2nc(-c3ccccc3)cc(-n3ccc(C(=O)[O-])n3)n2)cc1 ZINC000073681340 205033747 /nfs/dbraw/zinc/03/37/47/205033747.db2.gz YCMSGEFQRLOYQL-UHFFFAOYSA-N -1 0 356.385 4.003 10 0 FIAERM CCc1cccc(Nc2nc(OCC(=O)[O-])cc(-c3ccc(C)cc3)n2)c1 ZINC000073697703 205033766 /nfs/dbraw/zinc/03/37/66/205033766.db2.gz GFLPADUIYSSTNO-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM Cc1ccc(C)n1-c1nn(Cc2ccc(C(=O)[O-])cc2)c2nc(C)cc(C)c12 ZINC000049454651 205171435 /nfs/dbraw/zinc/17/14/35/205171435.db2.gz YIVCJVRXOGLEDX-UHFFFAOYSA-N -1 0 374.444 4.202 10 0 FIAERM CC(C)[C@@H](Nc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3)C(=O)[O-] ZINC000082687515 205648154 /nfs/dbraw/zinc/64/81/54/205648154.db2.gz WXKSLFBOPAKGMX-IAQYHMDHSA-N -1 0 361.511 4.363 10 0 FIAERM O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cc1 ZINC000013531882 206302444 /nfs/dbraw/zinc/30/24/44/206302444.db2.gz FCZJGSJJCCOPTN-UHFFFAOYSA-N -1 0 369.602 4.445 10 0 FIAERM CCCC[C@H](CC)Cn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000073659273 521180455 /nfs/dbraw/zinc/18/04/55/521180455.db2.gz HYYVAVDGNJKIGH-LBPRGKRZSA-N -1 0 350.484 4.293 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3)n2)c1 ZINC000073702378 524107405 /nfs/dbraw/zinc/10/74/05/524107405.db2.gz VOSICZZXILPXGG-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM C[C@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000223661151 570537982 /nfs/dbraw/zinc/53/79/82/570537982.db2.gz SCXSWEHOLKBPGJ-CQSZACIVSA-N -1 0 365.429 4.263 10 0 FIAERM O=C([O-])c1csc(-n2nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)n1 ZINC000033413644 571065148 /nfs/dbraw/zinc/06/51/48/571065148.db2.gz MCQOZQWICARRLB-UHFFFAOYSA-N -1 0 373.743 4.366 10 0 FIAERM O=C([O-])CC1CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725242822 571238424 /nfs/dbraw/zinc/23/84/24/571238424.db2.gz ZIJDSCBLSRFOIN-UHFFFAOYSA-N -1 0 365.429 4.026 10 0 FIAERM O=C([O-])c1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000003120621 204079375 /nfs/dbraw/zinc/07/93/75/204079375.db2.gz GWCOJZCMEYWBAX-FGZHOGPDSA-N -1 0 374.392 4.287 10 0 FIAERM COc1ccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)cc1 ZINC000005592471 204216987 /nfs/dbraw/zinc/21/69/87/204216987.db2.gz VBCIDQOMPAZUBN-UHFFFAOYSA-N -1 0 355.415 4.025 10 0 FIAERM CC(C)c1ccccc1Oc1coc2cc(OCC(=O)[O-])ccc2c1=O ZINC000005592265 204217718 /nfs/dbraw/zinc/21/77/18/204217718.db2.gz JSEAMOKAURDIPG-UHFFFAOYSA-N -1 0 354.358 4.172 10 0 FIAERM O=C(c1cccc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000006628941 204257180 /nfs/dbraw/zinc/25/71/80/204257180.db2.gz XVXGRQQLZBGXPQ-UHFFFAOYSA-N -1 0 360.438 4.248 10 0 FIAERM Cc1nc([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000008028608 204315411 /nfs/dbraw/zinc/31/54/11/204315411.db2.gz WFDFWPOTSJWAQO-ZCFIWIBFSA-N -1 0 359.234 4.199 10 0 FIAERM CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000012312224 204450286 /nfs/dbraw/zinc/45/02/86/204450286.db2.gz GZPWQYNLYYAAGZ-LZWOXQAQSA-N -1 0 350.480 4.481 10 0 FIAERM O=C([O-])c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)[C@H]1CCCO1 ZINC000020335788 204721405 /nfs/dbraw/zinc/72/14/05/204721405.db2.gz VCVYWRSEAZADRW-MRXNPFEDSA-N -1 0 371.458 4.110 10 0 FIAERM COc1ccc([C@H](Nc2ccccc2C)C(=O)[O-])cc1Br ZINC000038052406 204789900 /nfs/dbraw/zinc/78/99/00/204789900.db2.gz YVCBLCLGXHDUCU-HNNXBMFYSA-N -1 0 350.212 4.004 10 0 FIAERM C[C@H]1CCCC[C@@H]1N1Cc2c(ccc(OCCCC(=O)[O-])c2Cl)C1=O ZINC000038423433 205040020 /nfs/dbraw/zinc/04/00/20/205040020.db2.gz WOHKBFBEPCKQLI-WFASDCNBSA-N -1 0 365.857 4.118 10 0 FIAERM Cc1cc(C)c(Nc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)c(C)c1 ZINC000073697497 205032798 /nfs/dbraw/zinc/03/27/98/205032798.db2.gz DJNHMLQJVMBRET-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM COCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2cccc(Cl)c2)n1 ZINC000073682750 205032968 /nfs/dbraw/zinc/03/29/68/205032968.db2.gz QQKOYOUKGQVQAB-UHFFFAOYSA-N -1 0 370.792 4.434 10 0 FIAERM CCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccc(OC)cc2)n1 ZINC000073682517 205033087 /nfs/dbraw/zinc/03/30/87/205033087.db2.gz MFTPWGSXMSMALY-UHFFFAOYSA-N -1 0 350.374 4.205 10 0 FIAERM Cc1c(Cl)cccc1Nc1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073704140 205033343 /nfs/dbraw/zinc/03/33/43/205033343.db2.gz RKAGIFJBQMUOGR-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(-c3ccc(Cl)cc3)n2)c1 ZINC000073696714 205033559 /nfs/dbraw/zinc/03/35/59/205033559.db2.gz MBQSVBKBOAGGEP-UHFFFAOYSA-N -1 0 354.793 4.236 10 0 FIAERM Cc1c(Cl)cccc1Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1N ZINC000040701672 205077501 /nfs/dbraw/zinc/07/75/01/205077501.db2.gz CWZOZXOLPWCUCP-UHFFFAOYSA-N -1 0 369.812 4.206 10 0 FIAERM Cc1ccc(Nc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2N)cc1Cl ZINC000040703902 205077604 /nfs/dbraw/zinc/07/76/04/205077604.db2.gz CBBRTRYCPPZEQT-UHFFFAOYSA-N -1 0 369.812 4.206 10 0 FIAERM CCOC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000065354957 205338549 /nfs/dbraw/zinc/33/85/49/205338549.db2.gz BJOCHCJFNWMFAX-UHFFFAOYSA-N -1 0 356.271 4.386 10 0 FIAERM Cc1ccc(-c2csc3ncnc(N[C@H](C(=O)[O-])C(C)C)c23)cc1C ZINC000082584393 205648367 /nfs/dbraw/zinc/64/83/67/205648367.db2.gz WESJTYOMIUWSHU-INIZCTEOSA-N -1 0 355.463 4.496 10 0 FIAERM Cc1cc(C(=O)[O-])c(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000020332988 206329863 /nfs/dbraw/zinc/32/98/63/206329863.db2.gz GRNLZKXLPIHOED-UHFFFAOYSA-N -1 0 360.218 4.079 10 0 FIAERM CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000073680819 132376900 /nfs/dbraw/zinc/37/69/00/132376900.db2.gz TZBOFXPJPYMQDX-CQSZACIVSA-N -1 0 359.857 4.051 10 0 FIAERM Cc1ccc(-c2c(C(=O)[O-])nnn2-c2ccc(Br)c(C)c2)cc1 ZINC000228999368 525709502 /nfs/dbraw/zinc/70/95/02/525709502.db2.gz YIQGNEYRODNSAP-UHFFFAOYSA-N -1 0 372.222 4.012 10 0 FIAERM O=C([O-])c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000020457328 526360710 /nfs/dbraw/zinc/36/07/10/526360710.db2.gz GTSBLULVMJNYDP-ZROIWOOFSA-N -1 0 359.790 4.279 10 0 FIAERM O=C([O-])CCOc1cc(-c2ccccc2)nc(-c2cccc(Cl)c2)n1 ZINC000073662570 527592824 /nfs/dbraw/zinc/59/28/24/527592824.db2.gz GRPZRAPYNRKBES-UHFFFAOYSA-N -1 0 354.793 4.318 10 0 FIAERM O=C([O-])Cn1cccc1-c1nc(-c2ccc(Br)s2)cs1 ZINC000228998230 527641761 /nfs/dbraw/zinc/64/17/61/527641761.db2.gz GJHWOMXGUKNSTO-UHFFFAOYSA-N -1 0 369.265 4.187 10 0 FIAERM C=C[C@@]1(C)[C@H](C(C)(C)C(=O)[O-])CC[C@@]2(C)OC3=C(C[C@H]21)C(=O)C[C@@H](C)O3 ZINC000252516888 560040747 /nfs/dbraw/zinc/04/07/47/560040747.db2.gz XOOCXRSGLCQNKY-UAQKQZTHSA-N -1 0 362.466 4.084 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185810737 567866076 /nfs/dbraw/zinc/86/60/76/567866076.db2.gz HAQDWAVMFPPLHX-VIFPVBQESA-N -1 0 362.212 4.420 10 0 FIAERM O=C([O-])C[C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000307064222 571114113 /nfs/dbraw/zinc/11/41/13/571114113.db2.gz HTDIEBAPWFRHFZ-LSDHHAIUSA-N -1 0 365.429 4.169 10 0 FIAERM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000134903627 571276505 /nfs/dbraw/zinc/27/65/05/571276505.db2.gz GQRWGIKPUUXSTH-KNQAVFIVSA-N -1 0 365.429 4.169 10 0 FIAERM Cc1nc([C@@H]2CCCN(C(=O)c3cc(O)ccc3Cl)C2)sc1C ZINC000408013138 1088781592 /nfs/dbraw/zinc/78/15/92/1088781592.db2.gz AJOOLLYJUZZMJL-GFCCVEGCSA-N -1 0 350.871 4.139 10 0 FIAERM CC(C)/C=C(/NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038422572 203887061 /nfs/dbraw/zinc/88/70/61/203887061.db2.gz ZLKZCVMOYQZLMA-YBFXNURJSA-N -1 0 351.402 4.150 10 0 FIAERM O=C([O-])c1ccccc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003021323 204074473 /nfs/dbraw/zinc/07/44/73/204074473.db2.gz LQWONBVHEQNPTB-UHFFFAOYSA-N -1 0 355.337 4.134 10 0 FIAERM C[C@@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000003260949 204085341 /nfs/dbraw/zinc/08/53/41/204085341.db2.gz UCFGYCUDWCHFTK-GFCCVEGCSA-N -1 0 367.474 4.046 10 0 FIAERM Cc1nc(C(=O)[O-])c2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000005116443 204192826 /nfs/dbraw/zinc/19/28/26/204192826.db2.gz WZNYKINYEPCGAZ-UHFFFAOYSA-N -1 0 369.783 4.022 10 0 FIAERM CC(C)c1cc(SCC(=O)[O-])nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695723 205032824 /nfs/dbraw/zinc/03/28/24/205032824.db2.gz BDXYAVZPBGOWJZ-UHFFFAOYSA-N -1 0 356.369 4.463 10 0 FIAERM O=C([O-])CSc1cc(-c2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000073695774 205032977 /nfs/dbraw/zinc/03/29/77/205032977.db2.gz ZWIOERQQAGQAOU-UHFFFAOYSA-N -1 0 357.822 4.036 10 0 FIAERM CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(Cl)cc2Cl)n1 ZINC000073702576 205033379 /nfs/dbraw/zinc/03/33/79/205033379.db2.gz HLMHPXHEGFRNCX-UHFFFAOYSA-N -1 0 356.209 4.114 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3ccncc3)nc(-c3cccnc3)n2)cc1 ZINC000073682614 205033475 /nfs/dbraw/zinc/03/34/75/205033475.db2.gz HFHAKTUYVKAXTC-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM O=C([O-])c1ccc(Nc2cc(-c3ccncc3)nc(-c3ccncc3)n2)cc1 ZINC000073683244 205033506 /nfs/dbraw/zinc/03/35/06/205033506.db2.gz CROVIOVEKUZCEA-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(Cl)cc2Cl)n1 ZINC000073702593 205033527 /nfs/dbraw/zinc/03/35/27/205033527.db2.gz ULBVWIAKAGXPBB-UHFFFAOYSA-N -1 0 370.236 4.288 10 0 FIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2F)n1 ZINC000073703367 205033752 /nfs/dbraw/zinc/03/37/52/205033752.db2.gz PSUJOEGVEKEVIA-UHFFFAOYSA-N -1 0 373.771 4.143 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)cc3C)n2)cc1 ZINC000073697202 205033783 /nfs/dbraw/zinc/03/37/83/205033783.db2.gz XMUIWGYFTCPDJH-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000064873088 205309019 /nfs/dbraw/zinc/30/90/19/205309019.db2.gz UUBSZROCXYOOTC-HNNXBMFYSA-N -1 0 361.397 4.458 10 0 FIAERM CC(C)(C)OC(=O)N1C[C@@H](Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000098089695 205934711 /nfs/dbraw/zinc/93/47/11/205934711.db2.gz OSYGWQSBSONFKO-IINYFYTJSA-N -1 0 374.264 4.246 10 0 FIAERM Cc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 ZINC000020333084 206329565 /nfs/dbraw/zinc/32/95/65/206329565.db2.gz MNKKHHLGJSZIRL-QMMMGPOBSA-N -1 0 374.245 4.468 10 0 FIAERM Cc1ccc(-c2csc3nc(C)nc(N4CCC[C@H](C(=O)[O-])C4)c23)cc1 ZINC000020318938 132895505 /nfs/dbraw/zinc/89/55/05/132895505.db2.gz MAQDBVUKYUMNMQ-HNNXBMFYSA-N -1 0 367.474 4.276 10 0 FIAERM CCCCc1ccc(Nc2nc(OCC(=O)[O-])cc(C(F)(F)F)n2)cc1 ZINC000073697862 521286201 /nfs/dbraw/zinc/28/62/01/521286201.db2.gz VCUZHQWVMDUBMB-UHFFFAOYSA-N -1 0 369.343 4.045 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)c(F)c3)n2)c1 ZINC000073703952 524108482 /nfs/dbraw/zinc/10/84/82/524108482.db2.gz KJPAJRPCBFYTAA-UHFFFAOYSA-N -1 0 367.380 4.107 10 0 FIAERM COc1cccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)c1 ZINC000005592472 204216804 /nfs/dbraw/zinc/21/68/04/204216804.db2.gz HRBXMXMLADUARY-UHFFFAOYSA-N -1 0 355.415 4.025 10 0 FIAERM Cc1cc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)ccc1Cl ZINC000005592281 204216845 /nfs/dbraw/zinc/21/68/45/204216845.db2.gz YQMRKJSFMANSIS-UHFFFAOYSA-N -1 0 360.749 4.011 10 0 FIAERM CCOC(=O)c1c([N-]c2nc(Cl)nc(Cl)n2)sc2c1CCCC2 ZINC000008228822 204322688 /nfs/dbraw/zinc/32/26/88/204322688.db2.gz FOVPKKCINSKYEO-UHFFFAOYSA-N -1 0 373.265 4.039 10 0 FIAERM O=C([O-])c1c(NC(=O)Cc2c[nH]c3ccccc23)sc2c1CCCCC2 ZINC000020334858 204720218 /nfs/dbraw/zinc/72/02/18/204720218.db2.gz SVXFHYJQDHARJM-UHFFFAOYSA-N -1 0 368.458 4.378 10 0 FIAERM O=C([O-])/C=C/c1ccc(-c2cccc(I)c2)s1 ZINC000036927371 205023199 /nfs/dbraw/zinc/02/31/99/205023199.db2.gz YFMWJSOKZWYVKT-FNORWQNLSA-N -1 0 356.184 4.118 10 0 FIAERM COc1cc2[n-]c(=S)n([C@H](C)CCc3ccccc3)c(=O)c2cc1OC ZINC000073659372 205032608 /nfs/dbraw/zinc/03/26/08/205032608.db2.gz LPUAGTKHZRINGO-CYBMUJFWSA-N -1 0 370.474 4.270 10 0 FIAERM CCc1c(C)nc(-c2ccc(C(F)(F)F)cc2)nc1SCC(=O)[O-] ZINC000073695731 205032948 /nfs/dbraw/zinc/03/29/48/205032948.db2.gz DLZOSNQJYAKWOK-UHFFFAOYSA-N -1 0 356.369 4.210 10 0 FIAERM CCc1c(C)nc(-c2ccc(OC)cc2)nc1Nc1cccc(C(=O)[O-])c1 ZINC000073683650 205033104 /nfs/dbraw/zinc/03/31/04/205033104.db2.gz DAAKOOGQSRVJQF-UHFFFAOYSA-N -1 0 363.417 4.465 10 0 FIAERM CSc1cccc(Nc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)c1 ZINC000073700085 205033465 /nfs/dbraw/zinc/03/34/65/205033465.db2.gz DVTVWEFFVSHDAD-UHFFFAOYSA-N -1 0 367.430 4.073 10 0 FIAERM Cc1ccc(OCc2nc3cc(C(=O)[O-])ccc3n2Cc2ccco2)cc1 ZINC000040409745 205070155 /nfs/dbraw/zinc/07/01/55/205070155.db2.gz LKORMBCELUIVND-UHFFFAOYSA-N -1 0 362.385 4.263 10 0 FIAERM CC(C)(CC(=O)[O-])CC(F)(F)c1ccc(I)cc1 ZINC000061825625 205288110 /nfs/dbraw/zinc/28/81/10/205288110.db2.gz IEAVEYSCQYLIBN-UHFFFAOYSA-N -1 0 368.161 4.274 10 0 FIAERM C[C@@H](CC(=O)[O-])CC(=O)Nc1c(Cl)cc(Br)cc1Cl ZINC000061835396 205288229 /nfs/dbraw/zinc/28/82/29/205288229.db2.gz RQZIVMMZKZNFMS-ZCFIWIBFSA-N -1 0 369.042 4.195 10 0 FIAERM O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1ccccc1Br ZINC000013531836 206303285 /nfs/dbraw/zinc/30/32/85/206303285.db2.gz SWXCGNGGTRXUTL-UHFFFAOYSA-N -1 0 369.602 4.445 10 0 FIAERM Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000073680143 132376935 /nfs/dbraw/zinc/37/69/35/132376935.db2.gz AJFJMSRCZUAKQP-LJQANCHMSA-N -1 0 373.456 4.420 10 0 FIAERM CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000073681966 132376979 /nfs/dbraw/zinc/37/69/79/132376979.db2.gz DMFBTJHPXBMHNR-UHFFFAOYSA-N -1 0 359.857 4.221 10 0 FIAERM CCCOc1ccc(Cn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1 ZINC000073659489 520382423 /nfs/dbraw/zinc/38/24/23/520382423.db2.gz NPHNXMIGYNVBHA-UHFFFAOYSA-N -1 0 360.866 4.176 10 0 FIAERM CCN(c1ccccc1)c1nc(OCC(=O)[O-])cc(-c2cccc(C)c2)n1 ZINC000073698322 521500010 /nfs/dbraw/zinc/50/00/10/521500010.db2.gz VJUPCVCVQJMHJG-UHFFFAOYSA-N -1 0 363.417 4.073 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(N[C@H](C)c3ccccc3)n2)cc1 ZINC000073707131 525736922 /nfs/dbraw/zinc/73/69/22/525736922.db2.gz XYESYGOJJNSCIX-OAHLLOKOSA-N -1 0 363.417 4.089 10 0 FIAERM COc1c(=O)c2c(O)c(CC=C(C)C)c([O-])cc2oc1-c1ccc(O)cc1 ZINC000014762757 560225736 /nfs/dbraw/zinc/22/57/36/560225736.db2.gz VVXGFIWLFZMBCJ-UHFFFAOYSA-N -1 0 368.385 4.094 10 0 biogenic,in-vitro FIAERM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185390518 567839848 /nfs/dbraw/zinc/83/98/48/567839848.db2.gz RJGZVSNHANBZEX-DOMZBBRYSA-N -1 0 366.244 4.349 10 0 FIAERM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185390553 567839897 /nfs/dbraw/zinc/83/98/97/567839897.db2.gz RJGZVSNHANBZEX-WFASDCNBSA-N -1 0 366.244 4.349 10 0 FIAERM C[C@H](CCc1ccccc1)C[C@@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725246691 570448467 /nfs/dbraw/zinc/44/84/67/570448467.db2.gz SUGLEAFQWVNWOR-XLIONFOSSA-N -1 0 369.461 4.273 10 0 FIAERM CC(C)(C)OC(=O)N1CCC(C(=O)C=C([O-])c2cccc(Cl)c2)CC1 ZINC000100175670 570500737 /nfs/dbraw/zinc/50/07/37/570500737.db2.gz RWBJYKWNIJGNAI-UHFFFAOYSA-N -1 0 365.857 4.129 10 0 FIAERM C[C@H]1CC[C@]1(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000722633438 571122060 /nfs/dbraw/zinc/12/20/60/571122060.db2.gz YXLFPWFFDKAUJI-RCDICMHDSA-N -1 0 365.429 4.026 10 0 FIAERM O=C([O-])[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000253189857 571159267 /nfs/dbraw/zinc/15/92/67/571159267.db2.gz ZPCYCNPEYROKHK-HNNXBMFYSA-N -1 0 365.429 4.122 10 0 FIAERM CC/C=C\C/C=C\C[C@@H](O)/C=C\C=C/C=C/[C@@H](O)C/C=C\CCC(=O)[O-] ZINC000224108760 571307840 /nfs/dbraw/zinc/30/78/40/571307840.db2.gz HLHYXXBCQOUTGK-UFPPSPQUSA-N -1 0 360.494 4.491 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000179772843 1088760839 /nfs/dbraw/zinc/76/08/39/1088760839.db2.gz LJTRKSQLTKYMSK-MFKMUULPSA-N -1 0 356.249 4.063 10 0 FIAERM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000255965351 203910592 /nfs/dbraw/zinc/91/05/92/203910592.db2.gz BRXKMFNGHHIPPN-FSSWDIPSSA-N -1 0 371.436 4.368 10 0 FIAERM O=C([O-])Cc1csc(COc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000005592613 204217574 /nfs/dbraw/zinc/21/75/74/204217574.db2.gz KBNBRBHYTWSGGJ-UHFFFAOYSA-N -1 0 352.626 4.309 10 0 FIAERM COc1cccc2c1Oc1ncccc1N(c1ccc(C(=O)[O-])s1)C2 ZINC000006751416 204265480 /nfs/dbraw/zinc/26/54/80/204265480.db2.gz ANNRIJFNVCRTFJ-UHFFFAOYSA-N -1 0 354.387 4.294 10 0 FIAERM COc1ccc([C@@H](Nc2ccccc2C)C(=O)[O-])cc1Br ZINC000038052407 204790768 /nfs/dbraw/zinc/79/07/68/204790768.db2.gz YVCBLCLGXHDUCU-OAHLLOKOSA-N -1 0 350.212 4.004 10 0 FIAERM COc1cccc(NC(=O)CS/C(=C/C=C/c2ccccc2)C(=O)[O-])c1 ZINC000037117776 205023918 /nfs/dbraw/zinc/02/39/18/205023918.db2.gz JLGJHOMIHRNRKJ-ASQNEQQHSA-N -1 0 369.442 4.049 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3cccnc3)nc(-c3ccncc3)n2)cc1 ZINC000073682562 205033333 /nfs/dbraw/zinc/03/33/33/205033333.db2.gz LUZDEWVSIAKQAU-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(F)ccc3C)n2)cc1 ZINC000073704136 205033554 /nfs/dbraw/zinc/03/35/54/205033554.db2.gz AUVMATCGMXHPGI-UHFFFAOYSA-N -1 0 367.380 4.107 10 0 FIAERM Cc1c2nc(Nc3ccc(OCC(=O)[O-])cc3)sc2c(C)c(O)c1C ZINC000039127692 205044712 /nfs/dbraw/zinc/04/47/12/205044712.db2.gz BLQLUDAJXJNOIN-UHFFFAOYSA-N -1 0 358.419 4.134 10 0 FIAERM COc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000040179132 205063275 /nfs/dbraw/zinc/06/32/75/205063275.db2.gz HKVQTTLPZUKJIJ-UHFFFAOYSA-N -1 0 363.369 4.438 10 0 FIAERM Cc1cc(Oc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2N)ccc1Cl ZINC000040798178 205081055 /nfs/dbraw/zinc/08/10/55/205081055.db2.gz JQSMPPFNVHRAQS-UHFFFAOYSA-N -1 0 370.796 4.255 10 0 FIAERM Cc1ccc(Cl)cc1Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1N ZINC000040705115 205076599 /nfs/dbraw/zinc/07/65/99/205076599.db2.gz KJOOBYYENDJPJG-UHFFFAOYSA-N -1 0 369.812 4.206 10 0 FIAERM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000014784186 206312320 /nfs/dbraw/zinc/31/23/20/206312320.db2.gz UNYCZWCOKHZBGL-DLBZAZTESA-N -1 0 353.418 4.095 10 0 FIAERM Cc1sc(NC(=O)c2ccccc2Br)c(C(=O)[O-])c1C ZINC000020332694 206330295 /nfs/dbraw/zinc/33/02/95/206330295.db2.gz VRZANGLWTQFZOU-UHFFFAOYSA-N -1 0 354.225 4.078 10 0 FIAERM CCCc1cc(OCC(=O)[O-])nc(N(c2ccccc2)c2ccccc2)n1 ZINC000073698859 521383627 /nfs/dbraw/zinc/38/36/27/521383627.db2.gz PNZFOQMUEHSJKI-UHFFFAOYSA-N -1 0 363.417 4.362 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(C)c3C)n2)c1 ZINC000073697111 524107607 /nfs/dbraw/zinc/10/76/07/524107607.db2.gz BBMKLBODSPYUFU-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM C[C@@H](CCc1ccccc1)C[C@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725246689 570448496 /nfs/dbraw/zinc/44/84/96/570448496.db2.gz SUGLEAFQWVNWOR-FXAWDEMLSA-N -1 0 369.461 4.273 10 0 FIAERM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000006751749 570653565 /nfs/dbraw/zinc/65/35/65/570653565.db2.gz OGZZVAOWYBNUKV-AWEZNQCLSA-N -1 0 360.797 4.248 10 0 FIAERM CC1CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000722633104 571121916 /nfs/dbraw/zinc/12/19/16/571121916.db2.gz WVVNOCBEBVPTNR-UHFFFAOYSA-N -1 0 365.429 4.026 10 0 FIAERM Cc1nc(NC(=O)OCC2c3ccccc3-c3ccccc32)oc1C(=O)[O-] ZINC000536952439 571208205 /nfs/dbraw/zinc/20/82/05/571208205.db2.gz CMRVDMWXCBEHGC-UHFFFAOYSA-N -1 0 364.357 4.042 10 0 FIAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000134903580 571276358 /nfs/dbraw/zinc/27/63/58/571276358.db2.gz GQRWGIKPUUXSTH-UGKGYDQZSA-N -1 0 365.429 4.169 10 0 FIAERM O=C([O-])[C@H](c1ccc(Cl)cc1)N(C(=O)OCc1ccccc1)C1CC1 ZINC000226798939 571276522 /nfs/dbraw/zinc/27/65/22/571276522.db2.gz YIMFWRNXKRAHOU-KRWDZBQOSA-N -1 0 359.809 4.267 10 0 FIAERM COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1OC ZINC000019888859 571304764 /nfs/dbraw/zinc/30/47/64/571304764.db2.gz RMIPQOCGPWJYDZ-SXGZJXTBSA-N -1 0 351.402 4.229 10 0 FIAERM CCc1cc(C(=O)[O-])c(NC(=O)c2ccccc2Br)s1 ZINC000020333176 209615806 /nfs/dbraw/zinc/61/58/06/209615806.db2.gz PVMMJAYHQVMBSD-UHFFFAOYSA-N -1 0 354.225 4.024 10 0 FIAERM O=C([O-])c1cc2cccnc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000142043917 209380244 /nfs/dbraw/zinc/38/02/44/209380244.db2.gz YORLXSXETUJRDJ-UHFFFAOYSA-N -1 0 359.794 4.153 10 0 FIAERM CCOc1ccc(-c2c(C)sc3ncnc(N[C@H](CC)C(=O)[O-])c32)cc1 ZINC000096544765 209155095 /nfs/dbraw/zinc/15/50/95/209155095.db2.gz JRIQBLPGXHJVEV-CQSZACIVSA-N -1 0 371.462 4.341 10 0 FIAERM CCOc1ccc(-c2csc3ncnc(N[C@H](C(=O)[O-])C(C)C)c23)cc1 ZINC000096544748 209154614 /nfs/dbraw/zinc/15/46/14/209154614.db2.gz PRRHUEQJBHMJEI-INIZCTEOSA-N -1 0 371.462 4.278 10 0 FIAERM O=C([O-])/C(=C\c1ccc(Cl)cc1)SCC(=O)Nc1ccc(F)cc1 ZINC000015055553 207540841 /nfs/dbraw/zinc/54/08/41/207540841.db2.gz GZAOPVRHSPBVHL-OQLLNIDSSA-N -1 0 365.813 4.277 10 0 FIAERM CSc1cccc(NC(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])c1 ZINC000015782117 207566339 /nfs/dbraw/zinc/56/63/39/207566339.db2.gz XSLJEEROTDJMHD-QGZVFWFLSA-N -1 0 356.447 4.015 10 0 FIAERM O=C([O-])c1sccc1NC(=O)c1cc(Br)ccc1Cl ZINC000036977624 208176357 /nfs/dbraw/zinc/17/63/57/208176357.db2.gz FPSVPEPNZXENOL-UHFFFAOYSA-N -1 0 360.616 4.115 10 0 FIAERM O=C([O-])CCSc1nc2ccc(Cl)cc2c(=O)n1C1CCCCC1 ZINC000073660238 208187931 /nfs/dbraw/zinc/18/79/31/208187931.db2.gz OYMVOSRFFIGVQQ-UHFFFAOYSA-N -1 0 366.870 4.122 10 0 FIAERM CC(C)C[C@@H](C)n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660433 208188488 /nfs/dbraw/zinc/18/84/88/208188488.db2.gz AJXILEXLOCDBND-LLVKDONJSA-N -1 0 368.886 4.224 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(-c3cccc(Cl)c3)n2)c1 ZINC000073696640 208189957 /nfs/dbraw/zinc/18/99/57/208189957.db2.gz CXLZJVQLXZWVPH-UHFFFAOYSA-N -1 0 354.793 4.236 10 0 FIAERM Cc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)cc1Cl ZINC000073704228 208190172 /nfs/dbraw/zinc/19/01/72/208190172.db2.gz AYLQUAHVLULKDO-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000486863 209482488 /nfs/dbraw/zinc/48/24/88/209482488.db2.gz ADWXLOKLAUVJPI-JGVFFNPUSA-N -1 0 350.629 4.476 10 0 FIAERM CCCc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073679579 132376820 /nfs/dbraw/zinc/37/68/20/132376820.db2.gz XAZKRXAZDBFUIU-MRXNPFEDSA-N -1 0 359.857 4.193 10 0 FIAERM CCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCCC[C@@H]1C(=O)[O-] ZINC000073679819 132376893 /nfs/dbraw/zinc/37/68/93/132376893.db2.gz TZWVQSOLVJHDIG-MRXNPFEDSA-N -1 0 359.857 4.111 10 0 FIAERM CCCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073679583 132376911 /nfs/dbraw/zinc/37/69/11/132376911.db2.gz XAZKRXAZDBFUIU-INIZCTEOSA-N -1 0 359.857 4.193 10 0 FIAERM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)C1 ZINC000073680067 132376933 /nfs/dbraw/zinc/37/69/33/132376933.db2.gz YKZSNGUNOCJSQD-GOSISDBHSA-N -1 0 359.429 4.112 10 0 FIAERM C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000235439494 571046374 /nfs/dbraw/zinc/04/63/74/571046374.db2.gz VZPZQVSVCCZVHC-VLIAUNLRSA-N -1 0 365.429 4.121 10 0 FIAERM O=C([O-])[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000253189858 571159081 /nfs/dbraw/zinc/15/90/81/571159081.db2.gz ZPCYCNPEYROKHK-OAHLLOKOSA-N -1 0 365.429 4.122 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000179772830 1088760891 /nfs/dbraw/zinc/76/08/91/1088760891.db2.gz LJTRKSQLTKYMSK-ZWNOBZJWSA-N -1 0 356.249 4.063 10 0 FIAERM CCc1oc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1C(=O)[O-] ZINC000261638631 1099628486 /nfs/dbraw/zinc/62/84/86/1099628486.db2.gz KMOHRVNJWQUIRD-UHFFFAOYSA-N -1 0 366.417 4.041 10 0 FIAERM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000171088934 1108843367 /nfs/dbraw/zinc/84/33/67/1108843367.db2.gz UMUHWFCBITWZST-QMMMGPOBSA-N -1 0 374.655 4.095 10 0 FIAERM CCCCCOc1ccc(C(=O)C=C([O-])c2ccc(C(=O)OC)cc2)cc1 ZINC000100033434 209479710 /nfs/dbraw/zinc/47/97/10/209479710.db2.gz MYSHSAIDZYLUKW-UHFFFAOYSA-N -1 0 368.429 4.498 10 0 FIAERM Cc1ccc(C(=O)[O-])c(Oc2cccc(I)c2)c1 ZINC000104176341 209259308 /nfs/dbraw/zinc/25/93/08/209259308.db2.gz JSEUOWIGBOIVRZ-UHFFFAOYSA-N -1 0 354.143 4.090 10 0 FIAERM CN(Cc1ccccc1)c1ncc(C(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000098180871 209206535 /nfs/dbraw/zinc/20/65/35/209206535.db2.gz JQYLQNLANICGMH-UHFFFAOYSA-N -1 0 353.809 4.132 10 0 FIAERM CC(C)(C)OC(=O)N1C[C@@H](Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000098089692 209206100 /nfs/dbraw/zinc/20/61/00/209206100.db2.gz DBNJIILYVLNZAN-SMDDNHRTSA-N -1 0 374.264 4.246 10 0 FIAERM COc1cc(-c2cc(C(=O)[O-])c3cccc(OC)c3n2)ccc1OC(C)C ZINC000004227731 207008202 /nfs/dbraw/zinc/00/82/02/207008202.db2.gz KGPOFSXAQXSVEM-UHFFFAOYSA-N -1 0 367.401 4.404 10 0 FIAERM O=C([O-])Cc1csc(CCOc2c(Cl)cc(Cl)cc2Cl)n1 ZINC000005592719 207107709 /nfs/dbraw/zinc/10/77/09/207107709.db2.gz VUHSDLGGUXFKTK-UHFFFAOYSA-N -1 0 366.653 4.352 10 0 FIAERM Cc1ccc(SCc2c(C(=O)[O-])nnn2-c2ccccc2Cl)cc1 ZINC000011759143 207319530 /nfs/dbraw/zinc/31/95/30/207319530.db2.gz ZCTIMRLKZNMONW-UHFFFAOYSA-N -1 0 359.838 4.220 10 0 FIAERM Cc1c(C(=O)[O-])nnn1-c1cc2c(cc1C)noc2-c1ccc(Cl)cc1 ZINC000011730353 207319545 /nfs/dbraw/zinc/31/95/45/207319545.db2.gz WEYHJXBUFNIIAZ-UHFFFAOYSA-N -1 0 368.780 4.044 10 0 FIAERM O=C([O-])[C@H]1CCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000020318104 207730545 /nfs/dbraw/zinc/73/05/45/207730545.db2.gz FVOILNGTJRAFJI-CYBMUJFWSA-N -1 0 359.838 4.065 10 0 FIAERM CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cc1 ZINC000020333702 207732379 /nfs/dbraw/zinc/73/23/79/207732379.db2.gz PNRAERVGCFWIGN-GFCCVEGCSA-N -1 0 373.474 4.151 10 0 FIAERM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 ZINC000033849465 208099981 /nfs/dbraw/zinc/09/99/81/208099981.db2.gz PIAXNVBUZPYAGZ-SXGWCWSVSA-N -1 0 351.793 4.364 10 0 FIAERM C[C@@H](C(=O)[O-])c1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 ZINC000033890748 208101141 /nfs/dbraw/zinc/10/11/41/208101141.db2.gz LDBQWHBCNQUGTJ-SNVBAGLBSA-N -1 0 360.207 4.150 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3cccnc3)nc(-c3ccncc3)n2)c1 ZINC000073683662 208188001 /nfs/dbraw/zinc/18/80/01/208188001.db2.gz PZBDCASZHPWFLE-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)n1 ZINC000073702383 208190203 /nfs/dbraw/zinc/19/02/03/208190203.db2.gz YDLIBBBKHIYPEV-UHFFFAOYSA-N -1 0 355.781 4.004 10 0 FIAERM COc1ccc(CCn2c3ccc(C(=O)[O-])cc3nc2C(C)C)cc1OC ZINC000040406819 208253627 /nfs/dbraw/zinc/25/36/27/208253627.db2.gz NEHNTZQGVBPOMB-UHFFFAOYSA-N -1 0 368.433 4.118 10 0 FIAERM Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1Oc1cccc2ccccc21 ZINC000040683471 208260885 /nfs/dbraw/zinc/26/08/85/208260885.db2.gz HMXAOOIGJNJMDL-UHFFFAOYSA-N -1 0 372.384 4.446 10 0 FIAERM CCCc1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073679809 132376856 /nfs/dbraw/zinc/37/68/56/132376856.db2.gz OKOVMOIVKJLVBB-INIZCTEOSA-N -1 0 359.857 4.193 10 0 FIAERM O=C([O-])C1(CNC(=O)OCc2ccccc2)CCC(c2ccccc2)CC1 ZINC000725244826 570443019 /nfs/dbraw/zinc/44/30/19/570443019.db2.gz MPSILOMIOMTWIE-UHFFFAOYSA-N -1 0 367.445 4.342 10 0 FIAERM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307453539 571114866 /nfs/dbraw/zinc/11/48/66/571114866.db2.gz SPZXSRMTHPANFO-LSDHHAIUSA-N -1 0 365.429 4.121 10 0 FIAERM C[C@@H](C(=O)[O-])[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240437 571233193 /nfs/dbraw/zinc/23/31/93/571233193.db2.gz GRPRLXCHEVUNTG-JLTOFOAXSA-N -1 0 365.429 4.121 10 0 FIAERM CC[C@H]1CC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240592 571233484 /nfs/dbraw/zinc/23/34/84/571233484.db2.gz PJMAWAHJCXIWLD-XOBRGWDASA-N -1 0 365.429 4.263 10 0 FIAERM Nc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1Cl ZINC000036288475 207276654 /nfs/dbraw/zinc/27/66/54/207276654.db2.gz BKPPBJFWDOGKOK-UHFFFAOYSA-N -1 0 357.671 4.091 10 0 FIAERM Cc1cccc(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)c1C ZINC000016905886 207600699 /nfs/dbraw/zinc/60/06/99/207600699.db2.gz GKFNIVZCHMZJPM-MHWRWJLKSA-N -1 0 353.399 4.243 10 0 FIAERM Cc1ccc(-c2csc3ncnc(N4CCC[C@H]4C(=O)[O-])c23)cc1C ZINC000020318088 207731488 /nfs/dbraw/zinc/73/14/88/207731488.db2.gz KRKDVUZIJHBTSY-HNNXBMFYSA-N -1 0 353.447 4.029 10 0 FIAERM Cc1nc2sc3c(c2c(N[C@H](C(=O)[O-])c2ccccc2)n1)CCCC3 ZINC000020316028 207732347 /nfs/dbraw/zinc/73/23/47/207732347.db2.gz KZGJUPCQYFWYBS-INIZCTEOSA-N -1 0 353.447 4.116 10 0 FIAERM CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000021125182 207765144 /nfs/dbraw/zinc/76/51/44/207765144.db2.gz ABUOYULUFYIQCL-UHFFFAOYSA-N -1 0 368.433 4.320 10 0 FIAERM CCCNc1nc2cc(-c3ccc(C(=O)[O-])cn3)cc(OC(C)C)c2o1 ZINC000031776888 208017961 /nfs/dbraw/zinc/01/79/61/208017961.db2.gz PTJWIFVGUKXOFN-UHFFFAOYSA-N -1 0 355.394 4.197 10 0 FIAERM O=C([O-])c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccccc1 ZINC000033559692 208094934 /nfs/dbraw/zinc/09/49/34/208094934.db2.gz IVSYTUNPDGMGHG-UHFFFAOYSA-N -1 0 358.397 4.362 10 0 FIAERM Cc1ccccc1NC(=O)CS/C(=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000037117759 208175169 /nfs/dbraw/zinc/17/51/69/208175169.db2.gz SHITUWYICLQUON-MHWRWJLKSA-N -1 0 361.850 4.446 10 0 FIAERM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000038895234 208176742 /nfs/dbraw/zinc/17/67/42/208176742.db2.gz LVYVZQBTBCZWKB-UHFFFAOYSA-N -1 0 360.822 4.328 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3cccnc3)nc(-c3cccnc3)n2)c1 ZINC000073683676 208187566 /nfs/dbraw/zinc/18/75/66/208187566.db2.gz HGCMYJSKPNYXOI-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3cccnc3)nc(-c3cccnc3)n2)cc1 ZINC000073682618 208187912 /nfs/dbraw/zinc/18/79/12/208187912.db2.gz XQLDLNNZQNXWGK-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM CC(C)C[C@H](C)n1c(=O)c2cc(Cl)ccc2nc1SCCC(=O)[O-] ZINC000073660434 208188677 /nfs/dbraw/zinc/18/86/77/208188677.db2.gz AJXILEXLOCDBND-NSHDSACASA-N -1 0 368.886 4.224 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3ccccn3)nc(-c3cccnc3)n2)c1 ZINC000073683678 208188792 /nfs/dbraw/zinc/18/87/92/208188792.db2.gz FUBADHSGHHXNNS-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Cl)n2)c1 ZINC000073702304 208190940 /nfs/dbraw/zinc/19/09/40/208190940.db2.gz ISSKOKXVPKNIEH-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM C[C@@H]1CCCC[C@@H]1N1Cc2c(ccc(OCCCC(=O)[O-])c2Cl)C1=O ZINC000038423432 208202405 /nfs/dbraw/zinc/20/24/05/208202405.db2.gz WOHKBFBEPCKQLI-DOMZBBRYSA-N -1 0 365.857 4.118 10 0 FIAERM CCc1ccc(Nc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)cc1 ZINC000073697779 523996949 /nfs/dbraw/zinc/99/69/49/523996949.db2.gz WWFCJEZLXSYKBQ-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM C=C[C@@]1(C)[C@@H](C(C)(C)C(=O)[O-])CC[C@@]2(C)OC3=C(C[C@H]21)C(=O)C[C@@H](C)O3 ZINC000252516890 560040757 /nfs/dbraw/zinc/04/07/57/560040757.db2.gz XOOCXRSGLCQNKY-VDUNVPQOSA-N -1 0 362.466 4.084 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185810755 567866071 /nfs/dbraw/zinc/86/60/71/567866071.db2.gz HAQDWAVMFPPLHX-SECBINFHSA-N -1 0 362.212 4.420 10 0 FIAERM COCc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000186244446 567894233 /nfs/dbraw/zinc/89/42/33/567894233.db2.gz YQCRYLRJPYDXNH-CYBMUJFWSA-N -1 0 370.232 4.416 10 0 FIAERM CC1(C)Cc2c(sc(I)c2C(=O)[O-])C(C)(C)C1 ZINC000725246163 570448591 /nfs/dbraw/zinc/44/85/91/570448591.db2.gz LNHLJLREYXZSII-UHFFFAOYSA-N -1 0 364.248 4.301 10 0 FIAERM O=C([O-])c1cc(-c2cccc(F)c2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000015677212 571102738 /nfs/dbraw/zinc/10/27/38/571102738.db2.gz OEOGEYCZNXIBRF-UHFFFAOYSA-N -1 0 351.312 4.268 10 0 FIAERM O=C([O-])C[C@@H](CC1CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078462 571272689 /nfs/dbraw/zinc/27/26/89/571272689.db2.gz GKIBRNYPIZYRPI-OAHLLOKOSA-N -1 0 365.429 4.169 10 0 FIAERM CC(C)[C@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccccc1 ZINC000236612642 1083955467 /nfs/dbraw/zinc/95/54/67/1083955467.db2.gz PRPAXDSLOYXFNI-FQEVSTJZSA-N -1 0 365.473 4.071 10 0 FIAERM CC(C)(C)OC(=O)N1C[C@@H](Cc2csc3ccccc23)C[C@@H]1C(=O)[O-] ZINC000098089729 209205860 /nfs/dbraw/zinc/20/58/60/209205860.db2.gz SWPWGMSSMXIDPT-SWLSCSKDSA-N -1 0 361.463 4.154 10 0 FIAERM O=C([O-])COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003638082 206987683 /nfs/dbraw/zinc/98/76/83/206987683.db2.gz COKAENDCMQNRQS-UHFFFAOYSA-N -1 0 374.607 4.363 10 0 FIAERM Cc1nc([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000008028603 207217508 /nfs/dbraw/zinc/21/75/08/207217508.db2.gz WFDFWPOTSJWAQO-LURJTMIESA-N -1 0 359.234 4.199 10 0 FIAERM CC(C)(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000010109780 207295470 /nfs/dbraw/zinc/29/54/70/207295470.db2.gz HPAWCKLOLDEYQJ-UHFFFAOYSA-N -1 0 361.825 4.353 10 0 FIAERM Cc1c(C(=O)OC(C)C)sc2ncnc(Nc3ccc(C(=O)[O-])cc3)c12 ZINC000019644416 207695785 /nfs/dbraw/zinc/69/57/85/207695785.db2.gz MFYVPSOKTCWOPV-UHFFFAOYSA-N -1 0 371.418 4.007 10 0 FIAERM COc1ccc([C@H](Nc2ccc(Cl)cc2)C(=O)[O-])cc1Br ZINC000038052461 207826705 /nfs/dbraw/zinc/82/67/05/207826705.db2.gz LRFWSBJDHVKPGE-AWEZNQCLSA-N -1 0 370.630 4.349 10 0 FIAERM COc1ccc(Nc2nc(-c3ccc(OCC(=O)[O-])cc3)cs2)cc1 ZINC000033895339 208100456 /nfs/dbraw/zinc/10/04/56/208100456.db2.gz MZMWLGNMFMWALC-UHFFFAOYSA-N -1 0 356.403 4.026 10 0 FIAERM COCCOc1c(Cl)cc(Nc2ccccc2C(=O)[O-])cc1Cl ZINC000035906678 208137775 /nfs/dbraw/zinc/13/77/75/208137775.db2.gz HKALYJNODHYLDC-UHFFFAOYSA-N -1 0 356.205 4.460 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3ccccn3)nc(-c3ccncc3)n2)c1 ZINC000073683665 208188232 /nfs/dbraw/zinc/18/82/32/208188232.db2.gz QFHLMPWOZUOOHV-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])c1cccc(Nc2cc(-c3ccncc3)nc(-c3cccnc3)n2)c1 ZINC000073683672 208188325 /nfs/dbraw/zinc/18/83/25/208188325.db2.gz OHRRVUHXJPAVBY-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3ccccn3)nc(-c3ccncc3)n2)cc1 ZINC000073682564 208188346 /nfs/dbraw/zinc/18/83/46/208188346.db2.gz PMOIVQKAGNQTQO-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000073702672 208189670 /nfs/dbraw/zinc/18/96/70/208189670.db2.gz RAZDMLACJZKSAR-UHFFFAOYSA-N -1 0 370.236 4.288 10 0 FIAERM CC(C)c1ccc(Nc2nc(OCC(=O)[O-])cc(-c3ccccc3)n2)cc1 ZINC000073697783 208189935 /nfs/dbraw/zinc/18/99/35/208189935.db2.gz ZKEMCGCVHVJNJZ-UHFFFAOYSA-N -1 0 363.417 4.474 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000073702913 208190277 /nfs/dbraw/zinc/19/02/77/208190277.db2.gz LEGHWUPBJBMHQG-UHFFFAOYSA-N -1 0 370.236 4.288 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccccc3Cl)n2)cc1 ZINC000073702308 208190356 /nfs/dbraw/zinc/19/03/56/208190356.db2.gz OKJUCZPGOIWMIC-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(C)cc(C)c3)n2)cc1 ZINC000073697493 208190735 /nfs/dbraw/zinc/19/07/35/208190735.db2.gz DHZIHOKTOIJBDK-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM O=C([O-])CSc1cc(-c2ccncc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073695769 208190925 /nfs/dbraw/zinc/19/09/25/208190925.db2.gz QGFOHQKMBFPXOI-UHFFFAOYSA-N -1 0 357.822 4.036 10 0 FIAERM CCOc1ccc(N2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000039859868 208213938 /nfs/dbraw/zinc/21/39/38/208213938.db2.gz UMMUEXVBRHJQCU-WJDWOHSUSA-N -1 0 369.398 4.024 10 0 FIAERM O=C([O-])c1c2cc(Cl)ccc2nc(-c2ccccc2)c1N1CCOCC1 ZINC000011850098 132851297 /nfs/dbraw/zinc/85/12/97/132851297.db2.gz NZMXEHPDXBWLKQ-UHFFFAOYSA-N -1 0 368.820 4.090 10 0 FIAERM CC(C)Oc1ccc(Cn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1 ZINC000073659614 519780074 /nfs/dbraw/zinc/78/00/74/519780074.db2.gz RWTFFGZBOUFYNU-UHFFFAOYSA-N -1 0 360.866 4.174 10 0 FIAERM CCN(CCCn1c(=O)c2cc(Cl)ccc2[n-]c1=S)c1ccccc1 ZINC000073659599 521042632 /nfs/dbraw/zinc/04/26/32/521042632.db2.gz PVUBJFYWRSGKQL-UHFFFAOYSA-N -1 0 373.909 4.255 10 0 FIAERM CCc1c(C)nc(-c2cccc(Cl)c2)nc1N1CCCC[C@@H]1C(=O)[O-] ZINC000073679593 536069902 /nfs/dbraw/zinc/06/99/02/536069902.db2.gz IKVGRRNOGURFEH-MRXNPFEDSA-N -1 0 359.857 4.111 10 0 FIAERM COc1ccc(-c2coc3cc([O-])c(CC=C(C)C)c(O)c3c2=O)cc1O ZINC000014763011 560097287 /nfs/dbraw/zinc/09/72/87/560097287.db2.gz YQEPOQVRUDADPH-UHFFFAOYSA-N -1 0 368.385 4.094 10 0 endogenous,in-man FIAERM Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)ncc1C(=O)[O-] ZINC000685959368 571142527 /nfs/dbraw/zinc/14/25/27/571142527.db2.gz NJYFCQHGGHETFB-UHFFFAOYSA-N -1 0 374.396 4.449 10 0 FIAERM O=C([O-])[C@@H]1CCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000084304158 571274232 /nfs/dbraw/zinc/27/42/32/571274232.db2.gz HWELJLHUQZAYOL-LSDHHAIUSA-N -1 0 365.429 4.026 10 0 FIAERM O=C([O-])[C@H]1CCC[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000084304143 571274248 /nfs/dbraw/zinc/27/42/48/571274248.db2.gz HWELJLHUQZAYOL-GJZGRUSLSA-N -1 0 365.429 4.026 10 0 FIAERM Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])no1 ZINC000408416439 1092732810 /nfs/dbraw/zinc/73/28/10/1092732810.db2.gz SZCVDDPBELSRHN-LBPRGKRZSA-N -1 0 370.236 4.148 10 0 FIAERM O=C([O-])c1cc(Nc2ccc(Br)cc2Br)ccn1 ZINC000104169481 209259611 /nfs/dbraw/zinc/25/96/11/209259611.db2.gz PQJLYPYATAFIAA-UHFFFAOYSA-N -1 0 372.016 4.048 10 0 FIAERM O=C([O-])c1ccnc(Nc2ccc(Br)cc2Br)c1 ZINC000104186478 209258996 /nfs/dbraw/zinc/25/89/96/209258996.db2.gz IFWUGACFEROOCH-UHFFFAOYSA-N -1 0 372.016 4.048 10 0 FIAERM COc1ccc(-c2cc(=O)n(-c3ccc(OC(F)(F)F)cc3)[n-]2)cc1 ZINC000100124727 209208867 /nfs/dbraw/zinc/20/88/67/209208867.db2.gz ZTPXWLBGFFQWQN-UHFFFAOYSA-N -1 0 350.296 4.152 10 0 FIAERM O=S(=O)([O-])c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001848527 206897238 /nfs/dbraw/zinc/89/72/38/206897238.db2.gz DHRZHJZKNWAIJE-UHFFFAOYSA-N -1 0 353.443 4.140 10 0 FIAERM CSc1cccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920653 207063019 /nfs/dbraw/zinc/06/30/19/207063019.db2.gz MWNFIZLMZUTERB-UHFFFAOYSA-N -1 0 374.849 4.423 10 0 FIAERM O=S(=O)([O-])c1ccc(Nc2ccc(Nc3ccc(O)cc3)cc2)cc1 ZINC000005420891 207099843 /nfs/dbraw/zinc/09/98/43/207099843.db2.gz SLPOAOGIPUBKLV-UHFFFAOYSA-N -1 0 356.403 4.126 10 0 FIAERM COc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OCc1ccccc1 ZINC000005592410 207107405 /nfs/dbraw/zinc/10/74/05/207107405.db2.gz MAWLLWOGCZCGNW-UHFFFAOYSA-N -1 0 355.415 4.404 10 0 FIAERM Cc1ccc(SCc2c(C(=O)[O-])nnn2-c2ccc(C)c(C)c2)cc1 ZINC000011759528 207320372 /nfs/dbraw/zinc/32/03/72/207320372.db2.gz CUXASCITLAAYJB-UHFFFAOYSA-N -1 0 353.447 4.183 10 0 FIAERM O=C([O-])c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1-c1ccco1 ZINC000011730348 207320729 /nfs/dbraw/zinc/32/07/29/207320729.db2.gz KZJFWNYNMWSAFE-UHFFFAOYSA-N -1 0 372.340 4.034 10 0 FIAERM O=C([O-])c1ccc(Cl)cc1OC(=O)Nc1cccc(Br)c1 ZINC000013586816 207470871 /nfs/dbraw/zinc/47/08/71/207470871.db2.gz AQVHUBROHKHLRM-UHFFFAOYSA-N -1 0 370.586 4.412 10 0 FIAERM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000033319856 208085202 /nfs/dbraw/zinc/08/52/02/208085202.db2.gz FBNQKHVGOCSWNA-KTKRTIGZSA-N -1 0 369.218 4.400 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000073697418 208189909 /nfs/dbraw/zinc/18/99/09/208189909.db2.gz IOCWVIJFNQUCEG-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(-c3ccc(Cl)cc3)n2)cc1 ZINC000073696718 208190084 /nfs/dbraw/zinc/19/00/84/208190084.db2.gz VUQISHDAKVNFEB-UHFFFAOYSA-N -1 0 354.793 4.236 10 0 FIAERM CC(C)c1ccc(Oc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2N)cc1 ZINC000040727593 208264986 /nfs/dbraw/zinc/26/49/86/208264986.db2.gz BGLSRTQDBKJICQ-UHFFFAOYSA-N -1 0 364.405 4.416 10 0 FIAERM C/C(=C\c1ccccc1)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000059434766 208591176 /nfs/dbraw/zinc/59/11/76/208591176.db2.gz TVHSSKSWPXIKTE-PKNBQFBNSA-N -1 0 360.207 4.189 10 0 FIAERM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccnc1 ZINC000064796649 208622908 /nfs/dbraw/zinc/62/29/08/208622908.db2.gz DCEJZTSLWOGQRS-ZDUSSCGKSA-N -1 0 368.389 4.122 10 0 FIAERM CC1(C)Cc2cc(C(=O)[O-])ccc2N[C@H]1c1cncc(Br)c1 ZINC000091691065 520579867 /nfs/dbraw/zinc/57/98/67/520579867.db2.gz VPVQVZPASXIFGF-HNNXBMFYSA-N -1 0 361.239 4.278 10 0 FIAERM CCCc1cc(OCC(=O)[O-])nc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000073698075 521384336 /nfs/dbraw/zinc/38/43/36/521384336.db2.gz AUCZPZAAOCSJPN-UHFFFAOYSA-N -1 0 363.417 4.303 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(C)cc(C)c3)n2)c1 ZINC000073697489 524108098 /nfs/dbraw/zinc/10/80/98/524108098.db2.gz MHBPNAVYCBZEKH-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM CCc1c(C)nc(-c2cccc(Cl)c2)nc1N1CCCC[C@H]1C(=O)[O-] ZINC000073679599 536070337 /nfs/dbraw/zinc/07/03/37/536070337.db2.gz IKVGRRNOGURFEH-INIZCTEOSA-N -1 0 359.857 4.111 10 0 FIAERM Cc1nc([C@@H]2CCCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)sc1C ZINC000408416177 1092730023 /nfs/dbraw/zinc/73/00/23/1092730023.db2.gz SBMKMDJYWNJEJI-LLVKDONJSA-N -1 0 368.861 4.278 10 0 FIAERM CCOc1ccc(-c2csc3ncnc(N[C@H](CC)C(=O)[O-])c23)cc1 ZINC000096544753 209154564 /nfs/dbraw/zinc/15/45/64/209154564.db2.gz OKGSOFXDFYOEIV-CQSZACIVSA-N -1 0 357.435 4.032 10 0 FIAERM O=C([O-])[C@@H]1CCCN1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000020318100 207731605 /nfs/dbraw/zinc/73/16/05/207731605.db2.gz FVOILNGTJRAFJI-ZDUSSCGKSA-N -1 0 359.838 4.065 10 0 FIAERM O=C([O-])c1c(Cl)cccc1Oc1ccc(I)cc1 ZINC000037325468 208179059 /nfs/dbraw/zinc/17/90/59/208179059.db2.gz IXWZKLAUUVIJSA-UHFFFAOYSA-N -1 0 374.561 4.435 10 0 FIAERM COc1ccc(-c2nc(C)c(C)c(Oc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000073682532 208188691 /nfs/dbraw/zinc/18/86/91/208188691.db2.gz MKPKUHOBTOLLMY-UHFFFAOYSA-N -1 0 350.374 4.260 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000073702459 208189453 /nfs/dbraw/zinc/18/94/53/208189453.db2.gz ZWVSLRAKQMKWSZ-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2cccc3ccccc32)n1 ZINC000073698148 208189713 /nfs/dbraw/zinc/18/97/13/208189713.db2.gz OUVRZDVMIGKQGJ-UHFFFAOYSA-N -1 0 351.406 4.134 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(Cl)c3)n2)cc1 ZINC000073702379 208189890 /nfs/dbraw/zinc/18/98/90/208189890.db2.gz OTMDJCCXZYFGSJ-UHFFFAOYSA-N -1 0 369.808 4.312 10 0 FIAERM O=C([O-])c1ccc2[nH]c(SCc3cccc(Br)c3)nc2c1 ZINC000040166115 208241048 /nfs/dbraw/zinc/24/10/48/208241048.db2.gz KAZVNILXIYNWQW-UHFFFAOYSA-N -1 0 363.236 4.316 10 0 FIAERM CCOCCCn1c(COc2ccc(C)cc2)nc2cc(C(=O)[O-])ccc21 ZINC000040403172 208250739 /nfs/dbraw/zinc/25/07/39/208250739.db2.gz ZQYMYYPPIMBANN-UHFFFAOYSA-N -1 0 368.433 4.049 10 0 FIAERM Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723131 208266223 /nfs/dbraw/zinc/26/62/23/208266223.db2.gz IHKXPAXLDIXJIA-UHFFFAOYSA-N -1 0 372.837 4.305 10 0 FIAERM O=C([O-])[C@@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096028933 209097056 /nfs/dbraw/zinc/09/70/56/209097056.db2.gz QFDZZZLJDKSWSE-FQEVSTJZSA-N -1 0 364.466 4.157 10 0 FIAERM CCc1c(C)nc(-c2ccc(Cl)cc2)nc1N1CCCC[C@H]1C(=O)[O-] ZINC000073679822 132376854 /nfs/dbraw/zinc/37/68/54/132376854.db2.gz TZWVQSOLVJHDIG-INIZCTEOSA-N -1 0 359.857 4.111 10 0 FIAERM CC(C)c1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000073680805 132376860 /nfs/dbraw/zinc/37/68/60/132376860.db2.gz IQINUTZXTZPOPC-AWEZNQCLSA-N -1 0 359.857 4.221 10 0 FIAERM CCc1nc(N(c2ccccc2)c2ccccc2)nc(OCC(=O)[O-])c1C ZINC000073698895 522382654 /nfs/dbraw/zinc/38/26/54/522382654.db2.gz FGPJASSTXFMNOW-UHFFFAOYSA-N -1 0 363.417 4.281 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(C)ccc3C)n2)cc1 ZINC000073697281 525736430 /nfs/dbraw/zinc/73/64/30/525736430.db2.gz RDOQHFZAIZTDNF-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM C=C[C@@]1(C)[C@@H](C(C)(C)C(=O)[O-])CC[C@]2(C)OC3=C(C[C@H]21)C(=O)C[C@@H](C)O3 ZINC000225414455 560043655 /nfs/dbraw/zinc/04/36/55/560043655.db2.gz XOOCXRSGLCQNKY-JBGUXOOQSA-N -1 0 362.466 4.084 10 0 FIAERM CC(C)C1CCC(C[C@H](CNC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC000725245411 570442803 /nfs/dbraw/zinc/44/28/03/570442803.db2.gz DGGLRKLZQOEYLB-NKELODKYSA-N -1 0 361.482 4.466 10 0 FIAERM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000083327922 571049069 /nfs/dbraw/zinc/04/90/69/571049069.db2.gz QPKFCXWJIXKZHC-FLIBITNWSA-N -1 0 369.218 4.400 10 0 FIAERM C[C@H](C(=O)[O-])[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240438 571233181 /nfs/dbraw/zinc/23/31/81/571233181.db2.gz GRPRLXCHEVUNTG-VBKZILBWSA-N -1 0 365.429 4.121 10 0 FIAERM CC[C@@H](C(=O)[O-])N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226787524 571276528 /nfs/dbraw/zinc/27/65/28/571276528.db2.gz WVQNWOMJYRUQED-IBGZPJMESA-N -1 0 353.418 4.121 10 0 FIAERM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171088928 1108844100 /nfs/dbraw/zinc/84/41/00/1108844100.db2.gz UMUHWFCBITWZST-MRVPVSSYSA-N -1 0 374.655 4.095 10 0 FIAERM Cc1nc([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000008028598 207217328 /nfs/dbraw/zinc/21/73/28/207217328.db2.gz YEYPLFMNABYUEG-ZCFIWIBFSA-N -1 0 359.234 4.199 10 0 FIAERM CC(C)CCNc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000033494670 208094948 /nfs/dbraw/zinc/09/49/48/208094948.db2.gz HSZGQZHWCHUGSK-UHFFFAOYSA-N -1 0 365.065 4.368 10 0 FIAERM O=C([O-])COc1cc2c(c(Cl)c1Cl)C(=O)[C@@H](C1CCCCC1)C2 ZINC000039220336 208208127 /nfs/dbraw/zinc/20/81/27/208208127.db2.gz PEMAXPHUHOGZQE-LLVKDONJSA-N -1 0 357.233 4.392 10 0 FIAERM COc1ccc(NC(=O)CS/C(=C/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000037117772 208177102 /nfs/dbraw/zinc/17/71/02/208177102.db2.gz OVDBQIDSWBYBTM-HYZSBJHASA-N -1 0 369.442 4.049 10 0 FIAERM COCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073683426 208187717 /nfs/dbraw/zinc/18/77/17/208187717.db2.gz XJDTVTDMGCTJDT-UHFFFAOYSA-N -1 0 369.808 4.385 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000073702833 208189521 /nfs/dbraw/zinc/18/95/21/208189521.db2.gz HWIMZLQCFYVGRB-UHFFFAOYSA-N -1 0 370.236 4.288 10 0 FIAERM CC(C)c1cc(OCC(=O)[O-])nc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000073702898 208190161 /nfs/dbraw/zinc/19/01/61/208190161.db2.gz FFXUBCHMTUNZKK-UHFFFAOYSA-N -1 0 356.209 4.114 10 0 FIAERM O=C([O-])CSc1cc(-c2ccccn2)nc(-c2cccc(Cl)c2)n1 ZINC000073695696 208190428 /nfs/dbraw/zinc/19/04/28/208190428.db2.gz OCWJIADOXJHUEG-UHFFFAOYSA-N -1 0 357.822 4.036 10 0 FIAERM Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687917 208263670 /nfs/dbraw/zinc/26/36/70/208263670.db2.gz FJOOSNKOHUWAKT-UHFFFAOYSA-N -1 0 372.384 4.446 10 0 FIAERM Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccc(C(=O)[O-])cc2)c1N ZINC000040703488 208263976 /nfs/dbraw/zinc/26/39/76/208263976.db2.gz JOQCSCKOSPNPCN-UHFFFAOYSA-N -1 0 369.812 4.206 10 0 FIAERM CC(C)c1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2cccc(Cl)c2)n1 ZINC000073680559 132376943 /nfs/dbraw/zinc/37/69/43/132376943.db2.gz XQLUOWCBSRGSBT-AWEZNQCLSA-N -1 0 359.857 4.221 10 0 FIAERM CCc1cccc(Nc2nc(OCC(=O)[O-])cc(-c3cccc(C)c3)n2)c1 ZINC000073697698 521771630 /nfs/dbraw/zinc/77/16/30/521771630.db2.gz YVSOIYJKPPVLBM-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM COCc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2cccc(Cl)c2)n1 ZINC000073683736 522937127 /nfs/dbraw/zinc/93/71/27/522937127.db2.gz FKOZIBNNNHNFCI-UHFFFAOYSA-N -1 0 369.808 4.385 10 0 FIAERM CC(C)c1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073679793 535369421 /nfs/dbraw/zinc/36/94/21/535369421.db2.gz PMZALUZRDZHBEX-MRXNPFEDSA-N -1 0 359.857 4.364 10 0 FIAERM C=C[C@@]1(C)[C@H](C(C)(C)C(=O)[O-])CC[C@]2(C)OC3=C(C[C@H]21)C(=O)C[C@@H](C)O3 ZINC000252516889 560040761 /nfs/dbraw/zinc/04/07/61/560040761.db2.gz XOOCXRSGLCQNKY-UGKJUXRFSA-N -1 0 362.466 4.084 10 0 FIAERM CC(C)(C)[C@H]1CCc2c(sc(I)c2C(=O)[O-])C1 ZINC000725245665 570448036 /nfs/dbraw/zinc/44/80/36/570448036.db2.gz DTEBQJMBCHOOKD-ZETCQYMHSA-N -1 0 364.248 4.202 10 0 FIAERM O=C([O-])C1=CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725262466 570535722 /nfs/dbraw/zinc/53/57/22/570535722.db2.gz HLWIQPHRRYJHAL-UHFFFAOYSA-N -1 0 363.413 4.042 10 0 FIAERM C[C@H](C(=O)[O-])[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240440 571233253 /nfs/dbraw/zinc/23/32/53/571233253.db2.gz GRPRLXCHEVUNTG-XOBRGWDASA-N -1 0 365.429 4.121 10 0 FIAERM CCCC1CCC(c2ccc(-c3nn(CC(=O)[O-])c(=N)s3)cc2)CC1 ZINC000196870867 1121194963 /nfs/dbraw/zinc/19/49/63/1121194963.db2.gz UTRHKLXGUQSYMH-UHFFFAOYSA-N -1 0 359.495 4.250 10 0 FIAERM CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000098089694 209206570 /nfs/dbraw/zinc/20/65/70/209206570.db2.gz OSYGWQSBSONFKO-QMTHXVAHSA-N -1 0 374.264 4.246 10 0 FIAERM CC[C@@H](C)[C@@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000096544740 209155099 /nfs/dbraw/zinc/15/50/99/209155099.db2.gz NASWQJGJZKQHMU-BDJLRTHQSA-N -1 0 371.462 4.278 10 0 FIAERM CC(C)(C)OC(=O)N[C@@H](C/C=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000096028628 206698421 /nfs/dbraw/zinc/69/84/21/206698421.db2.gz XVGAZRHYUWYZMX-IHVVCDCBSA-N -1 0 359.344 4.087 10 0 FIAERM CCOc1ccc(-c2cc(C(=O)[O-])c3cccc(OC)c3n2)cc1OCC ZINC000004227745 207008397 /nfs/dbraw/zinc/00/83/97/207008397.db2.gz ZETSSDPENIMOIT-UHFFFAOYSA-N -1 0 367.401 4.406 10 0 FIAERM O=C1N=C(SCc2ccccc2)N=C([O-])C1C/C=C/c1ccccc1 ZINC000009731596 207284272 /nfs/dbraw/zinc/28/42/72/207284272.db2.gz UAGVFBFZXNPTGD-KPKJPENVSA-N -1 0 350.443 4.024 10 0 FIAERM CCCCNc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000033494615 208093718 /nfs/dbraw/zinc/09/37/18/208093718.db2.gz CQLCHANAYRFJBI-UHFFFAOYSA-N -1 0 351.038 4.122 10 0 FIAERM CCc1c(C)nc(Nc2ccc(-c3ccccc3)cc2)nc1OCC(=O)[O-] ZINC000073698096 208190928 /nfs/dbraw/zinc/19/09/28/208190928.db2.gz XYAOKHSPLOBEIF-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM CC(=O)c1ccc(NC(=O)c2c[n-]c3c(cccc3C(F)(F)F)c2=O)cc1 ZINC000040176973 208242223 /nfs/dbraw/zinc/24/22/23/208242223.db2.gz VODXKMAJTUCDLQ-UHFFFAOYSA-N -1 0 374.318 4.002 10 0 FIAERM Nc1c(Nc2ccc(C(=O)[O-])cc2)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040797719 208271552 /nfs/dbraw/zinc/27/15/52/208271552.db2.gz KIVQLUGDVKSEAJ-UHFFFAOYSA-N -1 0 373.775 4.037 10 0 FIAERM O=C([O-])Cn1c(-c2ccc(Br)s2)cc2cc(F)ccc21 ZINC000070463034 208757336 /nfs/dbraw/zinc/75/73/36/208757336.db2.gz YPZNJGZOVWQMCT-UHFFFAOYSA-N -1 0 354.200 4.356 10 0 FIAERM C[C@H](Nc1ncnc2scc(-c3ccc4c(c3)CCCC4)c21)C(=O)[O-] ZINC000082687564 208951970 /nfs/dbraw/zinc/95/19/70/208951970.db2.gz HDWICHZXYVGOSB-NSHDSACASA-N -1 0 353.447 4.122 10 0 FIAERM O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)C1 ZINC000073680063 132376863 /nfs/dbraw/zinc/37/68/63/132376863.db2.gz YKZSNGUNOCJSQD-SFHVURJKSA-N -1 0 359.429 4.112 10 0 FIAERM CC(C)(C)[C@H]1CCc2c(sc3ncnc(N4CCC(C(=O)[O-])CC4)c32)C1 ZINC000020320853 132895423 /nfs/dbraw/zinc/89/54/23/132895423.db2.gz LVXNIRYZWJKWSK-ZDUSSCGKSA-N -1 0 373.522 4.143 10 0 FIAERM O=C(Nc1cc(F)c(Br)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000095594573 209083634 /nfs/dbraw/zinc/08/36/34/209083634.db2.gz WUQPLRJNQILVIS-UHFFFAOYSA-N -1 0 362.557 4.339 10 0 FIAERM CC(C)(C)OC(=O)Nc1ccc(NC(=O)OC(C)(C)C)c(C(=O)[O-])c1 ZINC000095762274 209085421 /nfs/dbraw/zinc/08/54/21/209085421.db2.gz FCKMPQUBJHMJLU-UHFFFAOYSA-N -1 0 352.387 4.079 10 0 FIAERM CC(C)c1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2cccc(Cl)c2)n1 ZINC000073680571 535369589 /nfs/dbraw/zinc/36/95/89/535369589.db2.gz XQLUOWCBSRGSBT-CQSZACIVSA-N -1 0 359.857 4.221 10 0 FIAERM COc1cccc(/C=C/C(=O)[O-])c1OCc1ccc(Br)cc1 ZINC000011827462 570807345 /nfs/dbraw/zinc/80/73/45/570807345.db2.gz JRQFXKYLOXCVRU-JXMROGBWSA-N -1 0 363.207 4.135 10 0 FIAERM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)cnc1N1CCCCCC1 ZINC000064978569 571248218 /nfs/dbraw/zinc/24/82/18/571248218.db2.gz ATOZPOLTKCWJFK-UHFFFAOYSA-N -1 0 373.840 4.066 10 0 FIAERM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000134903647 571276531 /nfs/dbraw/zinc/27/65/31/571276531.db2.gz GQRWGIKPUUXSTH-DENIHFKCSA-N -1 0 365.429 4.169 10 0 FIAERM O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1cc(F)ccc1[O-] ZINC000021729146 571335934 /nfs/dbraw/zinc/33/59/34/571335934.db2.gz ZSBWEOSJPZLRHA-UHFFFAOYSA-N -1 0 367.767 4.125 10 0 FIAERM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000255965352 210216580 /nfs/dbraw/zinc/21/65/80/210216580.db2.gz BRXKMFNGHHIPPN-VSKRKVRLSA-N -1 0 371.436 4.368 10 0 FIAERM COc1ccc([C@@H](Nc2ccc(C)cc2)C(=O)[O-])cc1Br ZINC000038052400 211368800 /nfs/dbraw/zinc/36/88/00/211368800.db2.gz HDBCMTPGZZNJHE-OAHLLOKOSA-N -1 0 350.212 4.004 10 0 FIAERM CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cc1 ZINC000020333699 211275398 /nfs/dbraw/zinc/27/53/98/211275398.db2.gz PNRAERVGCFWIGN-LBPRGKRZSA-N -1 0 373.474 4.151 10 0 FIAERM Cc1sc2ncnc(N(C)CCC(=O)[O-])c2c1-c1ccc(C)c(C)c1 ZINC000020317953 211275285 /nfs/dbraw/zinc/27/52/85/211275285.db2.gz BHQGADHRAQHBIW-UHFFFAOYSA-N -1 0 355.463 4.194 10 0 FIAERM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)Cc1ccc(F)cc1 ZINC000020333990 211275131 /nfs/dbraw/zinc/27/51/31/211275131.db2.gz GOKUUIZUSHQTKC-UHFFFAOYSA-N -1 0 355.390 4.434 10 0 FIAERM O=C([O-])[C@@H]1Cc2ccc(C(F)(F)F)cc2CN1Cc1ccc(Cl)cc1 ZINC000016082864 211154810 /nfs/dbraw/zinc/15/48/10/211154810.db2.gz GNNMVHIBPYKAJH-INIZCTEOSA-N -1 0 369.770 4.370 10 0 FIAERM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000010150429 210865601 /nfs/dbraw/zinc/86/56/01/210865601.db2.gz XAIIDPMMMPOJBA-UHFFFAOYSA-N -1 0 359.381 4.177 10 0 FIAERM Cc1nc(N2CCc3ccccc3C2)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000045947600 132375431 /nfs/dbraw/zinc/37/54/31/132375431.db2.gz FOSOPVYLCMHFQM-UHFFFAOYSA-N -1 0 374.444 4.098 10 0 FIAERM CCc1nc(-c2ccc(Cl)cc2)nc(N2CCCC[C@H]2C(=O)[O-])c1C ZINC000073679833 132376868 /nfs/dbraw/zinc/37/68/68/132376868.db2.gz KVHZMYIDWYORQT-INIZCTEOSA-N -1 0 359.857 4.111 10 0 FIAERM CC(C)c1cc(OCC(=O)[O-])nc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000073698078 519833641 /nfs/dbraw/zinc/83/36/41/519833641.db2.gz GSDSUELGRPAWII-UHFFFAOYSA-N -1 0 363.417 4.474 10 0 FIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1cccc(C(F)(F)F)c1 ZINC000073659536 527461753 /nfs/dbraw/zinc/46/17/53/527461753.db2.gz JRSZIPAQQHWGDD-UHFFFAOYSA-N -1 0 370.783 4.406 10 0 FIAERM C[C@@H](CCc1ccccc1)C[C@@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725246690 570448431 /nfs/dbraw/zinc/44/84/31/570448431.db2.gz SUGLEAFQWVNWOR-PXNSSMCTSA-N -1 0 369.461 4.273 10 0 FIAERM C[C@H](CCc1ccccc1)C[C@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725246692 570448587 /nfs/dbraw/zinc/44/85/87/570448587.db2.gz SUGLEAFQWVNWOR-YLJYHZDGSA-N -1 0 369.461 4.273 10 0 FIAERM CC1(C)[C@H](C(=O)[O-])C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000253188956 571159289 /nfs/dbraw/zinc/15/92/89/571159289.db2.gz XJBNGJBKCDCYHC-OALUTQOASA-N -1 0 365.429 4.024 10 0 FIAERM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000390822046 571195311 /nfs/dbraw/zinc/19/53/11/571195311.db2.gz UHWXFZICMHFBRW-JLTOFOAXSA-N -1 0 365.429 4.263 10 0 FIAERM O=C([O-])[C@@H]1CCCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240751 571237159 /nfs/dbraw/zinc/23/71/59/571237159.db2.gz ZZGXUEXKDIZTDH-OAHLLOKOSA-N -1 0 365.429 4.122 10 0 FIAERM O=C([O-])C[C@H](CC1CC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000675078461 571272743 /nfs/dbraw/zinc/27/27/43/571272743.db2.gz GKIBRNYPIZYRPI-HNNXBMFYSA-N -1 0 365.429 4.169 10 0 FIAERM C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000408412356 1092719411 /nfs/dbraw/zinc/71/94/11/1092719411.db2.gz AHJFLYMKZKKDLH-IAISJRAMSA-N -1 0 372.292 4.245 10 0 FIAERM Cc1ccc(Nc2ncnc3cc(C(=O)[O-])ccc32)cc1Br ZINC000001293237 219393604 /nfs/dbraw/zinc/39/36/04/219393604.db2.gz JAIUFFLURUWSEH-UHFFFAOYSA-N -1 0 358.195 4.143 10 0 FIAERM Cc1nc(COc2c(C)cc(Br)cc2C)sc1C(=O)[O-] ZINC000064872577 212046639 /nfs/dbraw/zinc/04/66/39/212046639.db2.gz FXHRLDLKQYSTLX-UHFFFAOYSA-N -1 0 356.241 4.108 10 0 FIAERM O=C([O-])c1cccc(N2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000038699049 211535647 /nfs/dbraw/zinc/53/56/47/211535647.db2.gz ICHSTYGHOWVXSI-UHFFFAOYSA-N -1 0 372.380 4.025 10 0 FIAERM CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cc1 ZINC000020333826 211275473 /nfs/dbraw/zinc/27/54/73/211275473.db2.gz ZOLNUIBVJDMTOK-LBPRGKRZSA-N -1 0 373.474 4.151 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(CC(=O)[O-])cc2)n1)CC[C@@H](C)C3 ZINC000020326812 211275145 /nfs/dbraw/zinc/27/51/45/211275145.db2.gz HDPIAGOJTQTROM-LLVKDONJSA-N -1 0 367.474 4.495 10 0 FIAERM COc1ccc(-c2coc3c(CC=C(C)C)c([O-])cc(O)c3c2=O)cc1 ZINC000014819519 211101974 /nfs/dbraw/zinc/10/19/74/211101974.db2.gz DDLPIQXHEKZHQX-UHFFFAOYSA-N -1 0 352.386 4.389 10 0 endogenous,in-man FIAERM O=C([O-])c1c(NC(=O)c2c(F)cccc2Cl)sc2c1CCCC2 ZINC000020333451 220322518 /nfs/dbraw/zinc/32/25/18/220322518.db2.gz LTSPJTLBNFWJDQ-UHFFFAOYSA-N -1 0 353.802 4.370 10 0 FIAERM O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000070456813 221332730 /nfs/dbraw/zinc/33/27/30/221332730.db2.gz XWRLBZJPUHHCSZ-UHFFFAOYSA-N -1 0 367.714 4.305 10 0 FIAERM O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(Cl)c1 ZINC000070456792 221332985 /nfs/dbraw/zinc/33/29/85/221332985.db2.gz GECFCEMEWQLSIQ-UHFFFAOYSA-N -1 0 367.714 4.305 10 0 FIAERM Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000073681685 132376961 /nfs/dbraw/zinc/37/69/61/132376961.db2.gz UBEDASYDDIWGGW-UHFFFAOYSA-N -1 0 373.456 4.420 10 0 FIAERM CC[C@H](C)[C@@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000096544741 222123608 /nfs/dbraw/zinc/12/36/08/222123608.db2.gz NASWQJGJZKQHMU-MEDUHNTESA-N -1 0 371.462 4.278 10 0 FIAERM CC[C@H](C)[C@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000096544739 222123877 /nfs/dbraw/zinc/12/38/77/222123877.db2.gz NASWQJGJZKQHMU-ZBEGNZNMSA-N -1 0 371.462 4.278 10 0 FIAERM Cc1ccc(C(=O)Nc2ccc3c(C(=O)[O-])cn(C(C)(C)C)c3n2)cc1 ZINC000148314533 222546926 /nfs/dbraw/zinc/54/69/26/222546926.db2.gz OAEDIVZICYMIAM-UHFFFAOYSA-N -1 0 351.406 4.050 10 0 FIAERM Cc1c(C(=O)[O-])oc2c1-c1nn(Cc3c(F)cccc3Cl)cc1CC2 ZINC000006751403 570653605 /nfs/dbraw/zinc/65/36/05/570653605.db2.gz UXECCRWRXPLNCH-UHFFFAOYSA-N -1 0 360.772 4.089 10 0 FIAERM CC[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000226800318 571085288 /nfs/dbraw/zinc/08/52/88/571085288.db2.gz QIWKGGTXAYQGLJ-FQEVSTJZSA-N -1 0 365.429 4.263 10 0 FIAERM CC1(C)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-] ZINC000307379333 571114452 /nfs/dbraw/zinc/11/44/52/571114452.db2.gz XJBNGJBKCDCYHC-MOPGFXCFSA-N -1 0 365.429 4.024 10 0 FIAERM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000032971247 571133579 /nfs/dbraw/zinc/13/35/79/571133579.db2.gz YWMBIHYJXUYNPW-UHFFFAOYSA-N -1 0 372.324 4.063 10 0 FIAERM Cc1cc(/C(=C\C(=O)[O-])C(F)(F)F)c2oc(=O)cc(C(F)(F)F)c2c1 ZINC000043463824 211791841 /nfs/dbraw/zinc/79/18/41/211791841.db2.gz IJENRJJHVKQNHY-RUDMXATFSA-N -1 0 366.213 4.151 10 0 FIAERM Cc1ccccc1-n1cc(C(=O)[O-])c(-c2ccc(Br)s2)n1 ZINC000038002126 211344943 /nfs/dbraw/zinc/34/49/43/211344943.db2.gz ASOWXYXRXWZZDC-UHFFFAOYSA-N -1 0 363.236 4.370 10 0 FIAERM Cc1ccc(CCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cc1 ZINC000020333858 211275925 /nfs/dbraw/zinc/27/59/25/211275925.db2.gz KWVXWBKCWDHVPE-ZDUSSCGKSA-N -1 0 357.475 4.451 10 0 FIAERM CCc1cccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)c1 ZINC000020334944 211274716 /nfs/dbraw/zinc/27/47/16/211274716.db2.gz LVRPJSCEAMTYEA-UHFFFAOYSA-N -1 0 373.474 4.295 10 0 FIAERM Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1C ZINC000020333810 211274601 /nfs/dbraw/zinc/27/46/01/211274601.db2.gz DWDFWLCABABVJM-LLVKDONJSA-N -1 0 373.474 4.205 10 0 FIAERM O=C([O-])c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000016906044 211171763 /nfs/dbraw/zinc/17/17/63/211171763.db2.gz LDJIQJYSYMDKPV-OQLLNIDSSA-N -1 0 373.817 4.275 10 0 FIAERM Cc1cccc(NC(=O)CS/C(=C/c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000015055519 211117071 /nfs/dbraw/zinc/11/70/71/211117071.db2.gz QROUNCLYZYLHFW-MHWRWJLKSA-N -1 0 361.850 4.446 10 0 FIAERM CCCCCCOC[C@H](CO[P@@](=O)([O-])OC)OCCCCCC ZINC000013760009 211058280 /nfs/dbraw/zinc/05/82/80/211058280.db2.gz MQMHHGBPYLEIJQ-MRXNPFEDSA-N -1 0 354.424 4.312 10 0 FIAERM CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000073681969 132376988 /nfs/dbraw/zinc/37/69/88/132376988.db2.gz OQCIPNBBZKJVGL-UHFFFAOYSA-N -1 0 359.857 4.051 10 0 FIAERM O=C([O-])C1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC000073681669 132377035 /nfs/dbraw/zinc/37/70/35/132377035.db2.gz CKGAMPYWCAYZIZ-UHFFFAOYSA-N -1 0 359.429 4.112 10 0 FIAERM CCCC[C@@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000096544737 222124001 /nfs/dbraw/zinc/12/40/01/222124001.db2.gz RJTNNOXIOCBKJZ-OAHLLOKOSA-N -1 0 371.462 4.422 10 0 FIAERM CC[C@@H](C)c1ccccc1O[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000098089536 222229583 /nfs/dbraw/zinc/22/95/83/222229583.db2.gz WFEGKQDJVJBDSU-IIAWOOMASA-N -1 0 363.454 4.042 10 0 FIAERM CCCCc1ccc(Nc2nc(OCC(=O)[O-])cc(C(C)(C)C)n2)cc1 ZINC000073697872 521286264 /nfs/dbraw/zinc/28/62/64/521286264.db2.gz XPANCLHAQJGLIR-UHFFFAOYSA-N -1 0 357.454 4.324 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)cc3C)n2)c1 ZINC000073697197 524107970 /nfs/dbraw/zinc/10/79/70/524107970.db2.gz MJDJSTUNHSZUIJ-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3cccc(C)c3C)n2)cc1 ZINC000073697117 525737160 /nfs/dbraw/zinc/73/71/60/525737160.db2.gz PQHPHUKBETZYDR-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM CCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(N2CCc3ccccc3C2)n1 ZINC000045947664 536153356 /nfs/dbraw/zinc/15/33/56/536153356.db2.gz PMZQAAJIFWVVCH-UHFFFAOYSA-N -1 0 374.444 4.044 10 0 FIAERM Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(F)cc1)O3 ZINC000006751187 570653607 /nfs/dbraw/zinc/65/36/07/570653607.db2.gz XEGDPBHXPXNIOE-HXUWFJFHSA-N -1 0 354.333 4.459 10 0 FIAERM CCCCc1cc2c(cc1OCc1ccccc1)ncc(C(=O)[O-])c2O ZINC000033637717 210245811 /nfs/dbraw/zinc/24/58/11/210245811.db2.gz RJKIJUZPBRQEJU-UHFFFAOYSA-N -1 0 351.402 4.148 10 0 FIAERM COc1ccc([C@@H](Nc2cccc(C)c2)C(=O)[O-])cc1Br ZINC000038052428 211367922 /nfs/dbraw/zinc/36/79/22/211367922.db2.gz AIEJEAUUOZSSPY-OAHLLOKOSA-N -1 0 350.212 4.004 10 0 FIAERM Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC000020333815 211275420 /nfs/dbraw/zinc/27/54/20/211275420.db2.gz NLOWJIINRNWACU-GFCCVEGCSA-N -1 0 373.474 4.205 10 0 FIAERM C[C@H]1CCc2c(sc(NC(=O)Cc3c[nH]c4ccccc34)c2C(=O)[O-])C1 ZINC000020333677 211275245 /nfs/dbraw/zinc/27/52/45/211275245.db2.gz NTWIBPBRCMDZSI-NSHDSACASA-N -1 0 368.458 4.234 10 0 FIAERM Cc1ccc(-c2csc3ncnc(N4CCC[C@@H]4C(=O)[O-])c23)c(C)c1 ZINC000020318193 211275322 /nfs/dbraw/zinc/27/53/22/211275322.db2.gz GBUWYCBQPMKZLC-OAHLLOKOSA-N -1 0 353.447 4.029 10 0 FIAERM Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c1 ZINC000020333818 211274728 /nfs/dbraw/zinc/27/47/28/211274728.db2.gz NLOWJIINRNWACU-LBPRGKRZSA-N -1 0 373.474 4.205 10 0 FIAERM CCCOc1ccccc1Nc1c(C(=O)[O-])cnc2ccc(OC)cc21 ZINC000019793862 211255762 /nfs/dbraw/zinc/25/57/62/211255762.db2.gz YWOHTMVMWXSWRI-UHFFFAOYSA-N -1 0 352.390 4.474 10 0 FIAERM CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)cc1 ZINC000016905897 211172338 /nfs/dbraw/zinc/17/23/38/211172338.db2.gz SPZXMKQDJFUFAH-LFIBNONCSA-N -1 0 369.398 4.024 10 0 FIAERM Cc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 ZINC000020333081 220322123 /nfs/dbraw/zinc/32/21/23/220322123.db2.gz MNKKHHLGJSZIRL-MRVPVSSYSA-N -1 0 374.245 4.468 10 0 FIAERM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(Br)c2)s1 ZINC000020333179 220322842 /nfs/dbraw/zinc/32/28/42/220322842.db2.gz PEYLEQXCWAIZPS-UHFFFAOYSA-N -1 0 354.225 4.024 10 0 FIAERM Cc1c(C(=O)[O-])nnn1-c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000001048948 210308481 /nfs/dbraw/zinc/30/84/81/210308481.db2.gz QOWNNDDGFMJHHG-UHFFFAOYSA-N -1 0 364.188 4.373 10 0 FIAERM O=C([O-])c1nnn(Cc2ccc(F)cc2Cl)c1-c1cccc(Cl)c1 ZINC000070457084 221332472 /nfs/dbraw/zinc/33/24/72/221332472.db2.gz ZQJOKFRXDAYPCX-UHFFFAOYSA-N -1 0 366.179 4.138 10 0 FIAERM CC(C)(C)c1ccc(Cn2cc(C(=O)[O-])c(=O)c3cc(F)ccc32)cc1 ZINC000070460682 221332690 /nfs/dbraw/zinc/33/26/90/221332690.db2.gz YNTVBWYUJYCEDD-UHFFFAOYSA-N -1 0 353.393 4.185 10 0 FIAERM CCCc1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073679802 132376822 /nfs/dbraw/zinc/37/68/22/132376822.db2.gz OKOVMOIVKJLVBB-MRXNPFEDSA-N -1 0 359.857 4.193 10 0 FIAERM CC(C)c1cc(N2CCC(C(=O)[O-])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000073681843 132377015 /nfs/dbraw/zinc/37/70/15/132377015.db2.gz XDVPLKPTEXTLKU-UHFFFAOYSA-N -1 0 359.857 4.221 10 0 FIAERM CC[C@@H](C)[C@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000096544738 222123540 /nfs/dbraw/zinc/12/35/40/222123540.db2.gz NASWQJGJZKQHMU-BZNIZROVSA-N -1 0 371.462 4.278 10 0 FIAERM CC[C@H](C)c1ccccc1O[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000098089537 222229026 /nfs/dbraw/zinc/22/90/26/222229026.db2.gz WFEGKQDJVJBDSU-SQWLQELKSA-N -1 0 363.454 4.042 10 0 FIAERM CC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/C/C=C/CCC(=O)[O-] ZINC000150373908 222548674 /nfs/dbraw/zinc/54/86/74/222548674.db2.gz CRDZYJSQHCXHEG-PDKVFEAQSA-N -1 0 360.494 4.491 10 0 FIAERM CCCC[C@@H](CC)Cn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000073659270 521037930 /nfs/dbraw/zinc/03/79/30/521037930.db2.gz HYYVAVDGNJKIGH-GFCCVEGCSA-N -1 0 350.484 4.293 10 0 FIAERM CCc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2cccc(C)c2)n1 ZINC000073697629 521914555 /nfs/dbraw/zinc/91/45/55/521914555.db2.gz RBUBHDCIDDNWQB-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM O=C([O-])c1cccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)c1 ZINC000090636107 526390489 /nfs/dbraw/zinc/39/04/89/526390489.db2.gz LZFXLHAWCPWCIL-UHFFFAOYSA-N -1 0 362.385 4.146 10 0 FIAERM O=C([O-])c1cccc(NC(=O)COc2cccc(Nc3ccccc3)c2)c1 ZINC000090636109 526390757 /nfs/dbraw/zinc/39/07/57/526390757.db2.gz VVKDTTAWAMKZET-UHFFFAOYSA-N -1 0 362.385 4.146 10 0 FIAERM CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000073680815 535397672 /nfs/dbraw/zinc/39/76/72/535397672.db2.gz TZBOFXPJPYMQDX-AWEZNQCLSA-N -1 0 359.857 4.051 10 0 FIAERM O=C([O-])c1cc(-c2cccc(I)c2)ccc1Cl ZINC000725244707 570441001 /nfs/dbraw/zinc/44/10/01/570441001.db2.gz SRFSXYMDSQEALR-UHFFFAOYSA-N -1 0 358.562 4.310 10 0 FIAERM O=C([O-])C1(C2CCN(C(=O)OCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000725271631 570542298 /nfs/dbraw/zinc/54/22/98/570542298.db2.gz JAFCTAIVICXVGZ-UHFFFAOYSA-N -1 0 357.450 4.070 10 0 FIAERM CC1(C)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000307379341 571114569 /nfs/dbraw/zinc/11/45/69/571114569.db2.gz XJBNGJBKCDCYHC-RBUKOAKNSA-N -1 0 365.429 4.024 10 0 FIAERM C[C@H]1CC[C@@]1(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000722633435 571121908 /nfs/dbraw/zinc/12/19/08/571121908.db2.gz YXLFPWFFDKAUJI-FPTDNZKUSA-N -1 0 365.429 4.026 10 0 FIAERM C[C@@H](C(=O)[O-])[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240439 571233221 /nfs/dbraw/zinc/23/32/21/571233221.db2.gz GRPRLXCHEVUNTG-VLIAUNLRSA-N -1 0 365.429 4.121 10 0 FIAERM O=C([O-])[C@H]1CCC[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000084304150 571274247 /nfs/dbraw/zinc/27/42/47/571274247.db2.gz HWELJLHUQZAYOL-CABCVRRESA-N -1 0 365.429 4.026 10 0 FIAERM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000175223055 1084906862 /nfs/dbraw/zinc/90/68/62/1084906862.db2.gz GFPRMUZIPGYVOT-ZDUSSCGKSA-N -1 0 368.264 4.027 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000179772807 1088759553 /nfs/dbraw/zinc/75/95/53/1088759553.db2.gz LJTRKSQLTKYMSK-GXFFZTMASA-N -1 0 356.249 4.063 10 0 FIAERM C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000408412358 1092719572 /nfs/dbraw/zinc/71/95/72/1092719572.db2.gz AHJFLYMKZKKDLH-YEWDVWPNSA-N -1 0 372.292 4.245 10 0 FIAERM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000131925613 1102894651 /nfs/dbraw/zinc/89/46/51/1102894651.db2.gz GRCOVVCDMCYGOT-UHFFFAOYSA-N -1 0 374.655 4.095 10 0 FIAERM O=C([O-])/C=C\c1ccccc1Oc1ccc(I)cc1 ZINC000012958974 220046672 /nfs/dbraw/zinc/04/66/72/220046672.db2.gz WSUWGRWJBWUZAC-YHYXMXQVSA-N -1 0 366.154 4.181 10 0 FIAERM Cc1sc2ncnc(N3CCC[C@H]3C(=O)[O-])c2c1-c1ccc(C)c(C)c1 ZINC000020318150 211275434 /nfs/dbraw/zinc/27/54/34/211275434.db2.gz NZTVEKBMVIFGKY-HNNXBMFYSA-N -1 0 367.474 4.337 10 0 FIAERM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1cccc(C)c1 ZINC000020342142 211274862 /nfs/dbraw/zinc/27/48/62/211274862.db2.gz MUXUOSLXPAAHOG-UHFFFAOYSA-N -1 0 372.490 4.099 10 0 FIAERM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)C(Cl)(Cl)Cl ZINC000020334064 211274697 /nfs/dbraw/zinc/27/46/97/211274697.db2.gz ONMKMFUOGNOXIW-UHFFFAOYSA-N -1 0 364.637 4.422 10 0 FIAERM O=C([O-])c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000015019168 211114360 /nfs/dbraw/zinc/11/43/60/211114360.db2.gz FWPONBLLNRWWPD-OQLLNIDSSA-N -1 0 373.817 4.275 10 0 FIAERM O=C([O-])c1cccnc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000040803623 220921614 /nfs/dbraw/zinc/92/16/14/220921614.db2.gz FYYCPMWIXWISEB-UHFFFAOYSA-N -1 0 350.399 4.183 10 0 FIAERM CCc1nc(-c2cccc(Cl)c2)nc(N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000073679604 132376927 /nfs/dbraw/zinc/37/69/27/132376927.db2.gz RUBRXVPNVIKLEV-MRXNPFEDSA-N -1 0 359.857 4.111 10 0 FIAERM Cc1sc2ncnc(N3CCC[C@@H](C(=O)[O-])C3)c2c1-c1ccc(C)cc1 ZINC000020318854 132895597 /nfs/dbraw/zinc/89/55/97/132895597.db2.gz KFWURMLXAQJYES-OAHLLOKOSA-N -1 0 367.474 4.276 10 0 FIAERM CC(C)(C)OC(=O)N1CCC(C(=O)C=C([O-])c2ccc(Cl)cc2)CC1 ZINC000100175631 222238080 /nfs/dbraw/zinc/23/80/80/222238080.db2.gz JRHQGYYSZWGNPP-UHFFFAOYSA-N -1 0 365.857 4.129 10 0 FIAERM CCc1cc(OCC(=O)[O-])nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000073699992 523840639 /nfs/dbraw/zinc/84/06/39/523840639.db2.gz CWLVKPCGCFGBDN-UHFFFAOYSA-N -1 0 365.389 4.038 10 0 FIAERM CC(C)C1CCC(C[C@@H](CNC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC000725245408 570444907 /nfs/dbraw/zinc/44/49/07/570444907.db2.gz DGGLRKLZQOEYLB-KVZIAJEVSA-N -1 0 361.482 4.466 10 0 FIAERM CC[C@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000226800323 571085060 /nfs/dbraw/zinc/08/50/60/571085060.db2.gz QIWKGGTXAYQGLJ-HXUWFJFHSA-N -1 0 365.429 4.263 10 0 FIAERM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000408408667 1092555823 /nfs/dbraw/zinc/55/58/23/1092555823.db2.gz PXQPBYXRWLTPNQ-BQPHKTIFSA-N -1 0 372.292 4.101 10 0 FIAERM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000408408675 1092567688 /nfs/dbraw/zinc/56/76/88/1092567688.db2.gz PXQPBYXRWLTPNQ-WCUVEOEZSA-N -1 0 372.292 4.101 10 0 FIAERM CN(Cc1csc(Br)c1)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000061848312 212027334 /nfs/dbraw/zinc/02/73/34/212027334.db2.gz VPOXVYDXKAYYOG-UHFFFAOYSA-N -1 0 360.660 4.499 10 0 FIAERM O=C([O-])CCSc1nc2ccccc2c(=O)n1C1CCCCCCC1 ZINC000073659961 211688155 /nfs/dbraw/zinc/68/81/55/211688155.db2.gz OKPSTSACEWQEFO-UHFFFAOYSA-N -1 0 360.479 4.249 10 0 FIAERM COc1ccc(CC(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000020333993 211275521 /nfs/dbraw/zinc/27/55/21/211275521.db2.gz CFFZNGXSTJBYKI-UHFFFAOYSA-N -1 0 367.426 4.303 10 0 FIAERM O=C([O-])c1c(NC(=O)c2ccc(F)c(F)c2F)sc2c1CCCCC2 ZINC000020334989 211275331 /nfs/dbraw/zinc/27/53/31/211275331.db2.gz XZHXPPYEHOLTRD-UHFFFAOYSA-N -1 0 369.364 4.385 10 0 FIAERM C[C@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2C(=O)[O-])C1 ZINC000020333932 211274849 /nfs/dbraw/zinc/27/48/49/211274849.db2.gz GQHATRGOSWKMOA-ZETCQYMHSA-N -1 0 369.364 4.241 10 0 FIAERM C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(CC(=O)[O-])cc4)c32)C1 ZINC000020326314 211274865 /nfs/dbraw/zinc/27/48/65/211274865.db2.gz ZLDMJIWMZIMLEK-LLVKDONJSA-N -1 0 353.447 4.187 10 0 FIAERM Cc1sc(NC(=O)/C=C/c2ccc(Br)o2)c(C(=O)[O-])c1C ZINC000037448827 211179783 /nfs/dbraw/zinc/17/97/83/211179783.db2.gz HOKUGPOAUWCJKU-GQCTYLIASA-N -1 0 370.224 4.071 10 0 FIAERM O=C([O-])c1ccc(/C=C2/SC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000016906060 211171525 /nfs/dbraw/zinc/17/15/25/211171525.db2.gz APPQRGKLFCSHSI-NTEUORMPSA-N -1 0 359.790 4.279 10 0 FIAERM Cc1ccc(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)c(C)c1 ZINC000016905888 211171579 /nfs/dbraw/zinc/17/15/79/211171579.db2.gz ACGKNSJYRPPJOB-MHWRWJLKSA-N -1 0 353.399 4.243 10 0 FIAERM CC(/C=C(/SCC(=O)N1CCCCCC1)C(=O)[O-])=C\c1ccccc1 ZINC000015055719 211116197 /nfs/dbraw/zinc/11/61/97/211116197.db2.gz XVEYPPZXZMVVCX-KSQUNMIPSA-N -1 0 359.491 4.194 10 0 FIAERM CCCCCCOC[C@@H](CO[P@@](=O)([O-])OC)OCCCCCC ZINC000013760008 211057864 /nfs/dbraw/zinc/05/78/64/211057864.db2.gz MQMHHGBPYLEIJQ-INIZCTEOSA-N -1 0 354.424 4.312 10 0 FIAERM CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)[O-])=CCC[C@@H]32)C(=O)O1 ZINC000013484131 211035372 /nfs/dbraw/zinc/03/53/72/211035372.db2.gz LKCDRCCSEGFFNK-KLEFUKBASA-N -1 0 362.466 4.086 10 0 biogenic FIAERM O=C([O-])/C=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000004227851 210518085 /nfs/dbraw/zinc/51/80/85/210518085.db2.gz JBFHYWLZKDNIGV-ZZXKWVIFSA-N -1 0 366.200 4.109 10 0 FIAERM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(Br)cc3)c12 ZINC000020328525 220322433 /nfs/dbraw/zinc/32/24/33/220322433.db2.gz PWZMLDABQNESNV-UHFFFAOYSA-N -1 0 364.224 4.204 10 0 FIAERM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000021142762 220352890 /nfs/dbraw/zinc/35/28/90/220352890.db2.gz AUVNMUOOGZHXAS-UHFFFAOYSA-N -1 0 368.216 4.488 10 0 FIAERM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CCCCCC1 ZINC000064978578 221160981 /nfs/dbraw/zinc/16/09/81/221160981.db2.gz OEUVVSLOKQFTDP-UHFFFAOYSA-N -1 0 373.840 4.066 10 0 FIAERM CCOc1ccc(-c2csc3ncnc(N[C@@H](C(=O)[O-])C(C)C)c23)cc1 ZINC000096544749 222123735 /nfs/dbraw/zinc/12/37/35/222123735.db2.gz PRRHUEQJBHMJEI-MRXNPFEDSA-N -1 0 371.462 4.278 10 0 FIAERM CCOc1cc(C(=O)[O-])ccc1OCc1ccccc1Br ZINC000021810181 263385097 /nfs/dbraw/zinc/38/50/97/263385097.db2.gz BVIMWVVXBIVVGY-UHFFFAOYSA-N -1 0 351.196 4.125 10 0 FIAERM CCN(c1cccc(C)c1)c1nc(OCC(=O)[O-])cc(-c2ccccc2)n1 ZINC000073698396 521495140 /nfs/dbraw/zinc/49/51/40/521495140.db2.gz GGGZXVGWXLLMKS-UHFFFAOYSA-N -1 0 363.417 4.073 10 0 FIAERM COCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2cccc(Cl)c2)n1 ZINC000073683323 522937194 /nfs/dbraw/zinc/93/71/94/522937194.db2.gz SOJGEBLAAQUVQR-UHFFFAOYSA-N -1 0 369.808 4.385 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(F)ccc3C)n2)c1 ZINC000073704130 524108210 /nfs/dbraw/zinc/10/82/10/524108210.db2.gz MGAQKXLFSFYOFI-UHFFFAOYSA-N -1 0 367.380 4.107 10 0 FIAERM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185390573 567839799 /nfs/dbraw/zinc/83/97/99/567839799.db2.gz RJGZVSNHANBZEX-SWLSCSKDSA-N -1 0 366.244 4.349 10 0 FIAERM CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)[O-])=CCC[C@@H]32)C(=O)O1 ZINC000096023714 570472194 /nfs/dbraw/zinc/47/21/94/570472194.db2.gz LKCDRCCSEGFFNK-JIVFAJJISA-N -1 0 362.466 4.086 10 0 biogenic FIAERM O=C([O-])c1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2c1 ZINC000004517884 570594657 /nfs/dbraw/zinc/59/46/57/570594657.db2.gz HLAIBVYSSBXPTB-UHFFFAOYSA-N -1 0 358.353 4.073 10 0 FIAERM O=C([O-])C[C@@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000307064221 571114284 /nfs/dbraw/zinc/11/42/84/571114284.db2.gz HTDIEBAPWFRHFZ-HUUCEWRRSA-N -1 0 365.429 4.169 10 0 FIAERM C[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCC1 ZINC000144144363 571149737 /nfs/dbraw/zinc/14/97/37/571149737.db2.gz SCXSWEHOLKBPGJ-AWEZNQCLSA-N -1 0 365.429 4.263 10 0 FIAERM O=C(Cc1ccc(Cl)cc1)N1[N-]C(=S)SC=C1c1ccccc1 ZINC000000639509 571166119 /nfs/dbraw/zinc/16/61/19/571166119.db2.gz MBFPENOHSKXYNN-UHFFFAOYSA-N -1 0 360.891 4.246 10 0 FIAERM C[C@@H](CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1)C(=O)[O-] ZINC000725240502 571233255 /nfs/dbraw/zinc/23/32/55/571233255.db2.gz KEQOPYJEYVZXJO-AWEZNQCLSA-N -1 0 365.429 4.121 10 0 FIAERM CC[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240589 571233442 /nfs/dbraw/zinc/23/34/42/571233442.db2.gz PJMAWAHJCXIWLD-JLTOFOAXSA-N -1 0 365.429 4.263 10 0 FIAERM CC[C@@H]1CC[C@@H](C(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240591 571233485 /nfs/dbraw/zinc/23/34/85/571233485.db2.gz PJMAWAHJCXIWLD-VLIAUNLRSA-N -1 0 365.429 4.263 10 0 FIAERM CC(C)[C@@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccccc1 ZINC000236643693 1083961002 /nfs/dbraw/zinc/96/10/02/1083961002.db2.gz PRPAXDSLOYXFNI-HXUWFJFHSA-N -1 0 365.473 4.071 10 0 FIAERM Cc1nc([C@H]2CCCN(C(=O)c3cc(O)ccc3Cl)C2)sc1C ZINC000408013143 1088780481 /nfs/dbraw/zinc/78/04/81/1088780481.db2.gz AJOOLLYJUZZMJL-LBPRGKRZSA-N -1 0 350.871 4.139 10 0 FIAERM Cc1cc(OCCCC(=O)Nc2ccccc2C(=O)[O-])cc(C)c1Cl ZINC000064873014 212046332 /nfs/dbraw/zinc/04/63/32/212046332.db2.gz VFACWOSPIPFPHQ-UHFFFAOYSA-N -1 0 361.825 4.453 10 0 FIAERM COc1ccc([C@H](Nc2cccc(Cl)c2)C(=O)[O-])cc1Br ZINC000038052411 211367686 /nfs/dbraw/zinc/36/76/86/211367686.db2.gz JLFSLMMMSILMCU-AWEZNQCLSA-N -1 0 370.630 4.349 10 0 FIAERM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000021033163 211303125 /nfs/dbraw/zinc/30/31/25/211303125.db2.gz UTYFGTVZZXWMRC-UHFFFAOYSA-N -1 0 372.446 4.076 10 0 FIAERM Cc1nc2sc3c(c2c(N[C@@H](C(=O)[O-])c2ccccc2)n1)CC[C@@H](C)C3 ZINC000020316342 211275801 /nfs/dbraw/zinc/27/58/01/211275801.db2.gz KTUIQOPZRQKBDE-PIGZYNQJSA-N -1 0 367.474 4.362 10 0 FIAERM C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccccc3)c2C(=O)[O-])C1 ZINC000020333727 211275817 /nfs/dbraw/zinc/27/58/17/211275817.db2.gz QTFXOLLONDRODE-CYBMUJFWSA-N -1 0 373.474 4.369 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(CC(=O)[O-])cc2)n1)CC[C@H](C)C3 ZINC000020326817 211274907 /nfs/dbraw/zinc/27/49/07/211274907.db2.gz HDPIAGOJTQTROM-NSHDSACASA-N -1 0 367.474 4.495 10 0 FIAERM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)c(F)c3F)c2C(=O)[O-])C1 ZINC000020333929 211274768 /nfs/dbraw/zinc/27/47/68/211274768.db2.gz GQHATRGOSWKMOA-SSDOTTSWSA-N -1 0 369.364 4.241 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(O)c(C(=O)[O-])c2)n1)CC[C@H](C)C3 ZINC000020326775 211274740 /nfs/dbraw/zinc/27/47/40/211274740.db2.gz VKOIGJYMVDPUGN-VIFPVBQESA-N -1 0 369.446 4.272 10 0 FIAERM O=C([O-])CCNc1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020315297 211274615 /nfs/dbraw/zinc/27/46/15/211274615.db2.gz YIMNJRRSQULSLV-UHFFFAOYSA-N -1 0 353.447 4.124 10 0 FIAERM Cc1ccc(N2C(=O)S/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1C ZINC000016906051 211171961 /nfs/dbraw/zinc/17/19/61/211171961.db2.gz FDUBOARYXXHELU-MHWRWJLKSA-N -1 0 353.399 4.243 10 0 FIAERM CCOc1ccccc1N1C(=O)S/C(=C/c2ccccc2C(=O)[O-])C1=O ZINC000016905893 211171389 /nfs/dbraw/zinc/17/13/89/211171389.db2.gz DLKZLJVSSMAJRY-LFIBNONCSA-N -1 0 369.398 4.024 10 0 FIAERM Cc1ccc([C@@H](NCc2nc(=O)c3sccc3[n-]2)c2cccs2)cc1 ZINC000012857160 211001242 /nfs/dbraw/zinc/00/12/42/211001242.db2.gz KZWOOPWJIWJDBM-QGZVFWFLSA-N -1 0 367.499 4.234 10 0 FIAERM CCCc1c(C(=O)[O-])nnn1-c1cc2c(cc1C)noc2-c1ccccc1 ZINC000011730364 210891901 /nfs/dbraw/zinc/89/19/01/210891901.db2.gz GNYMPAPCVFVYOF-UHFFFAOYSA-N -1 0 362.389 4.035 10 0 FIAERM O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1cccc(Cl)c1 ZINC000070456790 221332624 /nfs/dbraw/zinc/33/26/24/221332624.db2.gz FHURSVSKXLRZQU-UHFFFAOYSA-N -1 0 367.714 4.305 10 0 FIAERM CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2cccc(Cl)c2)n1 ZINC000073680577 132376826 /nfs/dbraw/zinc/37/68/26/132376826.db2.gz UOMRXJQDJJAHIK-CQSZACIVSA-N -1 0 359.857 4.051 10 0 FIAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N2CCOCC2)cc1C ZINC000011850170 132851173 /nfs/dbraw/zinc/85/11/73/132851173.db2.gz SHJMLZAOBROBQG-UHFFFAOYSA-N -1 0 362.429 4.053 10 0 FIAERM CCc1ccc(-c2csc3ncnc(N4CCC[C@H](C(=O)[O-])C4)c23)cc1 ZINC000020318783 132895466 /nfs/dbraw/zinc/89/54/66/132895466.db2.gz BOGVDOVXSBZZMO-HNNXBMFYSA-N -1 0 367.474 4.222 10 0 FIAERM Cc1ccccc1C(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588826 136133286 /nfs/dbraw/zinc/13/32/86/136133286.db2.gz KCLCVSIMCLLDOY-AWEZNQCLSA-N -1 0 352.434 4.182 10 0 FIAERM Cc1ccccc1C(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588828 136133291 /nfs/dbraw/zinc/13/32/91/136133291.db2.gz KCLCVSIMCLLDOY-CQSZACIVSA-N -1 0 352.434 4.182 10 0 FIAERM COc1ccc(-c2csc3ncnc(N[C@@H](CC(C)C)C(=O)[O-])c23)cc1 ZINC000096544734 222124056 /nfs/dbraw/zinc/12/40/56/222124056.db2.gz QFLXZRRDOZJSHM-HNNXBMFYSA-N -1 0 371.462 4.278 10 0 FIAERM CCn1c(C(=O)[O-])ccc1-c1ccc(Br)cc1Br ZINC000103934990 222346631 /nfs/dbraw/zinc/34/66/31/222346631.db2.gz JEEUSCMZCSSMTJ-UHFFFAOYSA-N -1 0 373.044 4.398 10 0 FIAERM Cc1cc(C(=O)[O-])ccc1Oc1ccccc1I ZINC000104152187 222351651 /nfs/dbraw/zinc/35/16/51/222351651.db2.gz YJBLHMBQJKSIHJ-UHFFFAOYSA-N -1 0 354.143 4.090 10 0 FIAERM O=C([O-])C[C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000307064220 571114189 /nfs/dbraw/zinc/11/41/89/571114189.db2.gz HTDIEBAPWFRHFZ-GJZGRUSLSA-N -1 0 365.429 4.169 10 0 FIAERM C[C@@H]1CC[C@@]1(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000722633437 571122006 /nfs/dbraw/zinc/12/20/06/571122006.db2.gz YXLFPWFFDKAUJI-PEBXRYMYSA-N -1 0 365.429 4.026 10 0 FIAERM C[C@H](CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1)C(=O)[O-] ZINC000725240503 571233130 /nfs/dbraw/zinc/23/31/30/571233130.db2.gz KEQOPYJEYVZXJO-CQSZACIVSA-N -1 0 365.429 4.121 10 0 FIAERM C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000408412355 1092719686 /nfs/dbraw/zinc/71/96/86/1092719686.db2.gz AHJFLYMKZKKDLH-DFHBCGBQSA-N -1 0 372.292 4.245 10 0 FIAERM CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2c(Cl)cccc2Cl)n1 ZINC000073702756 211690644 /nfs/dbraw/zinc/69/06/44/211690644.db2.gz VXWMQRRTSJPDLA-UHFFFAOYSA-N -1 0 370.236 4.288 10 0 FIAERM Cc1sc2ncnc(N3CCC[C@H]3C(=O)[O-])c2c1-c1ccc(C)cc1 ZINC000020318135 211275457 /nfs/dbraw/zinc/27/54/57/211275457.db2.gz DTUWDSACBBQBJM-AWEZNQCLSA-N -1 0 353.447 4.029 10 0 FIAERM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccncc3)c2C(=O)[O-])C1 ZINC000020335247 211274952 /nfs/dbraw/zinc/27/49/52/211274952.db2.gz RETKVBNVJXROSH-LBPRGKRZSA-N -1 0 358.463 4.245 10 0 FIAERM CCOc1ccc(-c2csc3ncnc(NCCCC(=O)[O-])c23)cc1 ZINC000020313879 211273849 /nfs/dbraw/zinc/27/38/49/211273849.db2.gz ISIRWZNHTSFKGQ-UHFFFAOYSA-N -1 0 357.435 4.034 10 0 FIAERM Cc1ccc(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)cc1C ZINC000016905889 211171307 /nfs/dbraw/zinc/17/13/07/211171307.db2.gz PUTZLWPRUIWJIT-MHWRWJLKSA-N -1 0 353.399 4.243 10 0 FIAERM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2CSc2ccccc2)cc1 ZINC000011760304 210894220 /nfs/dbraw/zinc/89/42/20/210894220.db2.gz MEMDDWGDKLYTPE-UHFFFAOYSA-N -1 0 353.447 4.381 10 0 FIAERM COc1ccc(-c2csc3ncnc(N[C@H](CC(C)C)C(=O)[O-])c23)cc1 ZINC000096544735 222123529 /nfs/dbraw/zinc/12/35/29/222123529.db2.gz QFLXZRRDOZJSHM-OAHLLOKOSA-N -1 0 371.462 4.278 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(N[C@H](C)c3ccccc3)n2)c1 ZINC000073707124 524108975 /nfs/dbraw/zinc/10/89/75/524108975.db2.gz MRLRKPIJLHXBHA-OAHLLOKOSA-N -1 0 363.417 4.089 10 0 FIAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(F)cc3C)n2)cc1 ZINC000073704045 525737531 /nfs/dbraw/zinc/73/75/31/525737531.db2.gz JZQVCCNQIANTCA-UHFFFAOYSA-N -1 0 367.380 4.107 10 0 FIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccc(F)c(Cl)c1 ZINC000073659532 527460119 /nfs/dbraw/zinc/46/01/19/527460119.db2.gz KWCBKVXTPYKHOE-UHFFFAOYSA-N -1 0 355.221 4.179 10 0 FIAERM O=C([O-])[C@H](CNC(=O)OCc1ccccc1)Cc1cccc2ccccc21 ZINC000725269140 570541809 /nfs/dbraw/zinc/54/18/09/570541809.db2.gz MDYWHJGJPLFZHK-IBGZPJMESA-N -1 0 363.413 4.010 10 0 FIAERM O=C([O-])[C@@H](CNC(=O)OCc1ccccc1)Cc1cccc2ccccc21 ZINC000725269141 570541951 /nfs/dbraw/zinc/54/19/51/570541951.db2.gz MDYWHJGJPLFZHK-LJQANCHMSA-N -1 0 363.413 4.010 10 0 FIAERM C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])C1CCC1 ZINC000306303272 571111393 /nfs/dbraw/zinc/11/13/93/571111393.db2.gz HLQRMGAZRYUSQB-QFIPXVFZSA-N -1 0 365.429 4.169 10 0 FIAERM O=C([O-])C[C@@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000307064219 571114187 /nfs/dbraw/zinc/11/41/87/571114187.db2.gz HTDIEBAPWFRHFZ-CABCVRRESA-N -1 0 365.429 4.169 10 0 FIAERM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307453537 571114843 /nfs/dbraw/zinc/11/48/43/571114843.db2.gz SPZXSRMTHPANFO-GJZGRUSLSA-N -1 0 365.429 4.121 10 0 FIAERM O=C([O-])[C@@H](c1ccc(Cl)cc1)N(C(=O)OCc1ccccc1)C1CC1 ZINC000226798932 571276486 /nfs/dbraw/zinc/27/64/86/571276486.db2.gz YIMFWRNXKRAHOU-QGZVFWFLSA-N -1 0 359.809 4.267 10 0 FIAERM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000134903602 571276492 /nfs/dbraw/zinc/27/64/92/571276492.db2.gz GQRWGIKPUUXSTH-SIKLNZKXSA-N -1 0 365.429 4.169 10 0 FIAERM CC(C)c1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000073680809 535369478 /nfs/dbraw/zinc/36/94/78/535369478.db2.gz IQINUTZXTZPOPC-CQSZACIVSA-N -1 0 359.857 4.221 10 0 FIAERM Cc1cccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)[O-])c3)nc12 ZINC000013353229 220065140 /nfs/dbraw/zinc/06/51/40/220065140.db2.gz PDVQRVQFZUEOSE-UHFFFAOYSA-N -1 0 366.442 4.281 10 0 FIAERM O=C([O-])c1ccccc1/C=C1/SC(=O)N(c2ccccc2Cl)C1=O ZINC000016905899 220196574 /nfs/dbraw/zinc/19/65/74/220196574.db2.gz UJEMVLXBEZXOIP-NTEUORMPSA-N -1 0 359.790 4.279 10 0 FIAERM Cc1ccc(C)c(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)c1 ZINC000016905913 220197504 /nfs/dbraw/zinc/19/75/04/220197504.db2.gz FHZLNODLMDDBSI-MHWRWJLKSA-N -1 0 353.399 4.243 10 0 FIAERM Cc1nc2sc3c(c2c(N[C@@H](C(=O)[O-])c2ccccc2)n1)CCCC3 ZINC000020316023 220320617 /nfs/dbraw/zinc/32/06/17/220320617.db2.gz KZGJUPCQYFWYBS-MRXNPFEDSA-N -1 0 353.447 4.116 10 0 FIAERM COc1cccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC000020333910 220322174 /nfs/dbraw/zinc/32/21/74/220322174.db2.gz ZLISEUYNTYNJHQ-YPUOHESYSA-N -1 0 371.458 4.232 10 0 FIAERM CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cc1 ZINC000020333829 220322680 /nfs/dbraw/zinc/32/26/80/220322680.db2.gz ZOLNUIBVJDMTOK-GFCCVEGCSA-N -1 0 373.474 4.151 10 0 FIAERM CC(C)c1ccc(-c2csc(NC(=O)[C@H]3CCCO3)c2C(=O)[O-])cc1 ZINC000020334326 220323100 /nfs/dbraw/zinc/32/31/00/220323100.db2.gz VARWMVNHBZCQFE-OAHLLOKOSA-N -1 0 359.447 4.354 10 0 FIAERM COc1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])c(SC)n2)cc1OC ZINC000027751238 220546669 /nfs/dbraw/zinc/54/66/69/220546669.db2.gz CWWVDXHNNZTBOC-UHFFFAOYSA-N -1 0 373.352 4.205 10 0 FIAERM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1cccnc1 ZINC000064796652 221152225 /nfs/dbraw/zinc/15/22/25/221152225.db2.gz DCEJZTSLWOGQRS-CYBMUJFWSA-N -1 0 368.389 4.122 10 0 FIAERM CCc1nc(-c2ccc(OC)cc2)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000073683653 522148083 /nfs/dbraw/zinc/14/80/83/522148083.db2.gz VDPWZASLLAWQRM-UHFFFAOYSA-N -1 0 363.417 4.465 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(F)cc3C)n2)c1 ZINC000073704040 524107428 /nfs/dbraw/zinc/10/74/28/524107428.db2.gz UACNLKSQZUDBKS-UHFFFAOYSA-N -1 0 367.380 4.107 10 0 FIAERM CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/CCC(=O)[O-] ZINC000256089753 528768462 /nfs/dbraw/zinc/76/84/62/528768462.db2.gz HLHYXXBCQOUTGK-MXHXQEPASA-N -1 0 360.494 4.491 10 0 FIAERM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307453536 571114786 /nfs/dbraw/zinc/11/47/86/571114786.db2.gz SPZXSRMTHPANFO-CABCVRRESA-N -1 0 365.429 4.121 10 0 FIAERM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000001002660 571143065 /nfs/dbraw/zinc/14/30/65/571143065.db2.gz SFFQWCNNOBSSAJ-UHFFFAOYSA-N -1 0 370.474 4.342 10 0 FIAERM Cc1ccc(SCc2c(C(=O)[O-])nnn2-c2cccc(Cl)c2)cc1 ZINC000011730716 219930152 /nfs/dbraw/zinc/93/01/52/219930152.db2.gz WTVIFDSGYXLSAN-UHFFFAOYSA-N -1 0 359.838 4.220 10 0 FIAERM CCc1ccc(-c2csc(NC(=O)c3cccnc3)c2C(=O)[O-])cc1 ZINC000020334283 220321759 /nfs/dbraw/zinc/32/17/59/220321759.db2.gz KXXOEYXRVBWVAA-UHFFFAOYSA-N -1 0 352.415 4.323 10 0 FIAERM CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)c1ccccc1 ZINC000020342352 220323512 /nfs/dbraw/zinc/32/35/12/220323512.db2.gz MMJKJFQOPPDVSL-CYBMUJFWSA-N -1 0 372.490 4.036 10 0 FIAERM Cc1cc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc(C)c1Cl ZINC000064873010 221154918 /nfs/dbraw/zinc/15/49/18/221154918.db2.gz IOJOCYPXAFGLSY-UHFFFAOYSA-N -1 0 361.825 4.453 10 0 FIAERM Cc1ccc(-c2nc(-c3ccccc3)cc(-n3cnc(C(=O)[O-])c3)n2)cc1 ZINC000073681022 221565801 /nfs/dbraw/zinc/56/58/01/221565801.db2.gz HTHAFJLKJICHMZ-UHFFFAOYSA-N -1 0 356.385 4.003 10 0 FIAERM Cc1cc(Br)cc(Cl)c1OCc1csc(C(=O)[O-])n1 ZINC000036902429 518186332 /nfs/dbraw/zinc/18/63/32/518186332.db2.gz JKAXSZIAPQFKLH-UHFFFAOYSA-N -1 0 362.632 4.145 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3c(C)cccc3C)n2)c1 ZINC000073697341 524107682 /nfs/dbraw/zinc/10/76/82/524107682.db2.gz MOWFGKXLQCTPII-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM O=C([O-])Cn1cccc1-c1nc(-c2cccc(Br)c2)cs1 ZINC000228998613 527641584 /nfs/dbraw/zinc/64/15/84/527641584.db2.gz NZCRPYLYFLKTQS-UHFFFAOYSA-N -1 0 363.236 4.126 10 0 FIAERM Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(F)cc1)O3 ZINC000006751186 570653613 /nfs/dbraw/zinc/65/36/13/570653613.db2.gz XEGDPBHXPXNIOE-FQEVSTJZSA-N -1 0 354.333 4.459 10 0 FIAERM Cc1ccc(C(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000046053399 570921860 /nfs/dbraw/zinc/92/18/60/570921860.db2.gz PWCXASVJNWISBP-UHFFFAOYSA-N -1 0 352.434 4.326 10 0 FIAERM [O-]c1c(Br)cc(OCc2ccccc2)cc1Br ZINC000250653262 571129915 /nfs/dbraw/zinc/12/99/15/571129915.db2.gz RZVCFOHBMSYGJT-UHFFFAOYSA-N -1 0 358.029 4.496 10 0 FIAERM O=C([O-])CCCCCONC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240903 571237332 /nfs/dbraw/zinc/23/73/32/571237332.db2.gz KWNHJFMTWGRADG-UHFFFAOYSA-N -1 0 369.417 4.102 10 0 FIAERM Cc1ccc(C[C@@H](C(=O)Nc2cccc(Cl)c2C)[C@@H](C)C(=O)[O-])cc1 ZINC000005175325 219657945 /nfs/dbraw/zinc/65/79/45/219657945.db2.gz IUAVLCIULDMQHK-CZUORRHYSA-N -1 0 359.853 4.475 10 0 FIAERM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1C(C)C ZINC000013167880 220061319 /nfs/dbraw/zinc/06/13/19/220061319.db2.gz HKAMFJUYSIZQAL-UHFFFAOYSA-N -1 0 361.825 4.488 10 0 FIAERM O=C([O-])[C@@H]1Cc2ccc(C(F)(F)F)cc2CN1Cc1ccccc1Cl ZINC000016082867 220177564 /nfs/dbraw/zinc/17/75/64/220177564.db2.gz WHFJOHKKDLNVAY-INIZCTEOSA-N -1 0 369.770 4.370 10 0 FIAERM O=C([O-])[C@H]1C(c2ccccc2)=NN[C@H]1c1ccccc1NCc1ccccc1 ZINC000016789781 220194221 /nfs/dbraw/zinc/19/42/21/220194221.db2.gz LVKLRUFJTSXUES-UNMCSNQZSA-N -1 0 371.440 4.048 10 0 FIAERM Cc1nc2sc3c(c2c(N[C@@H](C(=O)[O-])c2ccccc2)n1)CC[C@H](C)C3 ZINC000020316347 220321858 /nfs/dbraw/zinc/32/18/58/220321858.db2.gz KTUIQOPZRQKBDE-APPDUMDISA-N -1 0 367.474 4.362 10 0 FIAERM COc1cccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)c1 ZINC000020334978 220321977 /nfs/dbraw/zinc/32/19/77/220321977.db2.gz KFKUUGGSWJRUGJ-ZHACJKMWSA-N -1 0 371.458 4.376 10 0 FIAERM O=C([O-])c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCCCC2 ZINC000020334986 220322010 /nfs/dbraw/zinc/32/20/10/220322010.db2.gz KXSLCANBCIARID-UHFFFAOYSA-N -1 0 351.374 4.246 10 0 FIAERM Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc(OCC(=O)[O-])cc1 ZINC000020340551 220322465 /nfs/dbraw/zinc/32/24/65/220322465.db2.gz DHQQXLHELSHXDK-UHFFFAOYSA-N -1 0 374.462 4.101 10 0 FIAERM CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)cc1 ZINC000020334941 220322953 /nfs/dbraw/zinc/32/29/53/220322953.db2.gz QRQHERVPPMZZDC-UHFFFAOYSA-N -1 0 373.474 4.295 10 0 FIAERM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)cnc1N1CCCCCC1 ZINC000064978567 221160415 /nfs/dbraw/zinc/16/04/15/221160415.db2.gz JSHBTZASXOAMEV-UHFFFAOYSA-N -1 0 373.840 4.066 10 0 FIAERM Cc1nc(N2CCc3ccccc3C2)nc(Nc2ccc(C(=O)[O-])cc2)c1C ZINC000045947599 132375359 /nfs/dbraw/zinc/37/53/59/132375359.db2.gz PJGJUQVPUUKQMY-UHFFFAOYSA-N -1 0 374.444 4.098 10 0 FIAERM O=C([O-])c1ccc(Nc2cc(-c3ccccc3)nc(-c3cnccn3)n2)cc1 ZINC000073683276 221565588 /nfs/dbraw/zinc/56/55/88/221565588.db2.gz DWSFYLWECSCFDS-UHFFFAOYSA-N -1 0 369.384 4.042 10 0 FIAERM CC/C=C/C[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\C/C=C/CCC(=O)[O-] ZINC000150373912 222549318 /nfs/dbraw/zinc/54/93/18/222549318.db2.gz CRDZYJSQHCXHEG-ZUVYWMGPSA-N -1 0 360.494 4.491 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3cc(C)ccc3C)n2)c1 ZINC000073697275 524107823 /nfs/dbraw/zinc/10/78/23/524107823.db2.gz KLRWMRLBVJTPHU-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccc(C(F)(F)F)cc1 ZINC000073659538 527460196 /nfs/dbraw/zinc/46/01/96/527460196.db2.gz PLNHDSMBRIHEHJ-UHFFFAOYSA-N -1 0 370.783 4.406 10 0 FIAERM CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C/CCC(=O)[O-] ZINC000256089757 528768428 /nfs/dbraw/zinc/76/84/28/528768428.db2.gz HLHYXXBCQOUTGK-OUNNQTMWSA-N -1 0 360.494 4.491 10 0 FIAERM CC(C)c1cc(N2CCCC[C@@H]2C(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073679573 535369411 /nfs/dbraw/zinc/36/94/11/535369411.db2.gz OJFVOHQQWUQGOW-MRXNPFEDSA-N -1 0 359.857 4.364 10 0 FIAERM CC(C)c1cc(N2CCCC[C@H]2C(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073679798 535369593 /nfs/dbraw/zinc/36/95/93/535369593.db2.gz PMZALUZRDZHBEX-INIZCTEOSA-N -1 0 359.857 4.364 10 0 FIAERM COc1cc([C@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)ccc1O ZINC000031159152 560090487 /nfs/dbraw/zinc/09/04/87/560090487.db2.gz GWVGVAPNTKLROZ-QGZVFWFLSA-N -1 0 370.401 4.027 10 0 biogenic FIAERM CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)[O-] ZINC000003885970 570570395 /nfs/dbraw/zinc/57/03/95/570570395.db2.gz GZPWQYNLYYAAGZ-OFQRWUPVSA-N -1 0 350.480 4.481 10 0 FIAERM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307453538 571114928 /nfs/dbraw/zinc/11/49/28/571114928.db2.gz SPZXSRMTHPANFO-HUUCEWRRSA-N -1 0 365.429 4.121 10 0 FIAERM CC[C@H](C(=O)[O-])N(CC)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226787532 571276543 /nfs/dbraw/zinc/27/65/43/571276543.db2.gz WVQNWOMJYRUQED-LJQANCHMSA-N -1 0 353.418 4.121 10 0 FIAERM O=C([O-])c1ccc(C(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000001078798 219365985 /nfs/dbraw/zinc/36/59/85/219365985.db2.gz FLLZLGWZGIRPSL-GIDUJCDVSA-N -1 0 371.392 4.268 10 0 FIAERM O=C([O-])c1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000016905900 220197442 /nfs/dbraw/zinc/19/74/42/220197442.db2.gz SLDIUFILRGNREV-RIYZIHGNSA-N -1 0 359.790 4.279 10 0 FIAERM O=C([O-])c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)[C@@H]1CCCO1 ZINC000020335786 220321541 /nfs/dbraw/zinc/32/15/41/220321541.db2.gz VCVYWRSEAZADRW-INIZCTEOSA-N -1 0 371.458 4.110 10 0 FIAERM Cc1nc2sc3c(c2c(N[C@H](C(=O)[O-])c2ccccc2)n1)CC[C@H](C)C3 ZINC000020316357 220322068 /nfs/dbraw/zinc/32/20/68/220322068.db2.gz KTUIQOPZRQKBDE-GTNSWQLSSA-N -1 0 367.474 4.362 10 0 FIAERM CCCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)[O-])cc3)sc2n1 ZINC000020594942 220335508 /nfs/dbraw/zinc/33/55/08/220335508.db2.gz VSTINUIZLHFARQ-UHFFFAOYSA-N -1 0 369.446 4.172 10 0 FIAERM COC(=O)c1ccc2c(c1)[n-]c(=S)n([C@H](C)CCc1ccccc1)c2=O ZINC000073660829 522184819 /nfs/dbraw/zinc/18/48/19/522184819.db2.gz FGKFAJMGGJWGHW-CYBMUJFWSA-N -1 0 368.458 4.039 10 0 FIAERM O=C([O-])Cn1cccc1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000228998876 527641945 /nfs/dbraw/zinc/64/19/45/527641945.db2.gz ZJNBHYMALQOAIU-UHFFFAOYSA-N -1 0 363.236 4.126 10 0 FIAERM O=C([O-])c1cccc(-c2nc(C(F)(F)F)c(Br)s2)c1 ZINC000616580635 571145426 /nfs/dbraw/zinc/14/54/26/571145426.db2.gz ZOZVHFXXOQHUMS-UHFFFAOYSA-N -1 0 352.131 4.290 10 0 FIAERM O=C([O-])Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000038231206 571085014 /nfs/dbraw/zinc/08/50/14/571085014.db2.gz QJSMFMHNXGZJOU-UHFFFAOYSA-N -1 0 368.436 4.350 10 0 FIAERM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)n[nH]1 ZINC000009686480 571116786 /nfs/dbraw/zinc/11/67/86/571116786.db2.gz RXKUOOCMVJYNQD-UHFFFAOYSA-N -1 0 367.883 4.209 10 0 FIAERM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000194759521 1103074654 /nfs/dbraw/zinc/07/46/54/1103074654.db2.gz RWWUQTAMNRKCHC-UHFFFAOYSA-N -1 0 366.795 4.041 10 0 FIAERM Cc1ccc([C@H](NCc2nc(=O)c3sccc3[n-]2)c2cccs2)cc1 ZINC000012857168 220035524 /nfs/dbraw/zinc/03/55/24/220035524.db2.gz KZWOOPWJIWJDBM-KRWDZBQOSA-N -1 0 367.499 4.234 10 0 FIAERM O=C(c1csc2ccccc12)c1c(O)nc2cc(Cl)ccc2c1O ZINC000013775702 220093921 /nfs/dbraw/zinc/09/39/21/220093921.db2.gz ZAFQETJEDAJANY-UHFFFAOYSA-N -1 0 355.802 4.333 10 0 FIAERM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000014784183 220133169 /nfs/dbraw/zinc/13/31/69/220133169.db2.gz UNYCZWCOKHZBGL-SJORKVTESA-N -1 0 353.418 4.095 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(C(=O)[O-])c(O)c2)n1)CC[C@H](C)C3 ZINC000020326807 220322217 /nfs/dbraw/zinc/32/22/17/220322217.db2.gz YONZYOUKHVFOAK-VIFPVBQESA-N -1 0 369.446 4.272 10 0 FIAERM CCc1cccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c1 ZINC000020333832 220322819 /nfs/dbraw/zinc/32/28/19/220322819.db2.gz AJYWOHLTIPZDQH-LBPRGKRZSA-N -1 0 373.474 4.151 10 0 FIAERM C[C@H]1CCc2c(sc3ncnc(Nc4ccc(CC(=O)[O-])cc4)c32)C1 ZINC000020326320 220322904 /nfs/dbraw/zinc/32/29/04/220322904.db2.gz ZLDMJIWMZIMLEK-NSHDSACASA-N -1 0 353.447 4.187 10 0 FIAERM O=C([O-])c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000020334635 220322949 /nfs/dbraw/zinc/32/29/49/220322949.db2.gz KEZVXYSIWKNIHX-UHFFFAOYSA-N -1 0 356.230 4.494 10 0 FIAERM Cc1sc(NC(=O)COc2ccccc2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334445 220323038 /nfs/dbraw/zinc/32/30/38/220323038.db2.gz QDLICJKRKMOTDR-UHFFFAOYSA-N -1 0 367.426 4.439 10 0 FIAERM Cn1c2ccccc2c2cc([C@H]3OC(=O)c4ccccc4[C@@H]3C(=O)[O-])ccc21 ZINC000033413959 220740471 /nfs/dbraw/zinc/74/04/71/220740471.db2.gz TZIVSCUXLXSNQC-LEWJYISDSA-N -1 0 371.392 4.411 10 0 FIAERM O=C([O-])Cn1c(-c2nc(-c3cccc(Cl)c3)no2)cc2ccccc21 ZINC000070458723 221332669 /nfs/dbraw/zinc/33/26/69/221332669.db2.gz WKIKFXRYTLOJAT-UHFFFAOYSA-N -1 0 353.765 4.096 10 0 FIAERM O=C([O-])c1nnn(Cc2c(F)cccc2Cl)c1-c1cccc(Cl)c1 ZINC000070457083 221332952 /nfs/dbraw/zinc/33/29/52/221332952.db2.gz JLFFWLMGBNZNLF-UHFFFAOYSA-N -1 0 366.179 4.138 10 0 FIAERM CCc1nc(-c2cccc(Cl)c2)nc(N2CCCC[C@H]2C(=O)[O-])c1C ZINC000073679608 132376874 /nfs/dbraw/zinc/37/68/74/132376874.db2.gz RUBRXVPNVIKLEV-INIZCTEOSA-N -1 0 359.857 4.111 10 0 FIAERM CCC[C@@H](Nc1ncnc2scc(-c3ccc(OCC)cc3)c21)C(=O)[O-] ZINC000096544751 222123935 /nfs/dbraw/zinc/12/39/35/222123935.db2.gz JFNJSAFQJJMDEE-OAHLLOKOSA-N -1 0 371.462 4.422 10 0 FIAERM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000186244425 567894257 /nfs/dbraw/zinc/89/42/57/567894257.db2.gz YQCRYLRJPYDXNH-ZDUSSCGKSA-N -1 0 370.232 4.416 10 0 FIAERM C[C@@H]1CC[C@]1(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000722633436 571122020 /nfs/dbraw/zinc/12/20/20/571122020.db2.gz YXLFPWFFDKAUJI-JLCFBVMHSA-N -1 0 365.429 4.026 10 0 FIAERM O=C([O-])[C@H]1CCCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240750 571237111 /nfs/dbraw/zinc/23/71/11/571237111.db2.gz ZZGXUEXKDIZTDH-HNNXBMFYSA-N -1 0 365.429 4.122 10 0 FIAERM O=C([O-])CC[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000134394898 571276370 /nfs/dbraw/zinc/27/63/70/571276370.db2.gz AHXAXVGBIUAVOD-OAHLLOKOSA-N -1 0 365.429 4.122 10 0 FIAERM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000408408673 1092566886 /nfs/dbraw/zinc/56/68/86/1092566886.db2.gz PXQPBYXRWLTPNQ-LTZCYQRMSA-N -1 0 372.292 4.101 10 0 FIAERM O=C([O-])c1ccc(COc2ccc3c(=O)c(-c4ccccc4)coc3c2)o1 ZINC000004227044 219556394 /nfs/dbraw/zinc/55/63/94/219556394.db2.gz KCRPQSLJOYFESE-UHFFFAOYSA-N -1 0 362.337 4.330 10 0 FIAERM O=C([O-])[C@@H]1C(c2ccccc2)=NN[C@H]1c1ccccc1NCc1ccccc1 ZINC000016789783 220193859 /nfs/dbraw/zinc/19/38/59/220193859.db2.gz LVKLRUFJTSXUES-IRLDBZIGSA-N -1 0 371.440 4.048 10 0 FIAERM Cc1nc2sc3c(c2c(NCc2ccc(C(=O)[O-])cc2)n1)CC[C@H](C)C3 ZINC000020316337 220320179 /nfs/dbraw/zinc/32/01/79/220320179.db2.gz NFGXQCCJHXUJQW-NSHDSACASA-N -1 0 367.474 4.435 10 0 FIAERM O=C([O-])c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCC2 ZINC000020334794 220322934 /nfs/dbraw/zinc/32/29/34/220322934.db2.gz NCJRFHAPWVHOCU-UHFFFAOYSA-N -1 0 355.337 4.206 10 0 FIAERM CC1(C)CC(=O)C(C)(C)c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000022061790 220376028 /nfs/dbraw/zinc/37/60/28/220376028.db2.gz HKWXTAAIQIWIKN-UHFFFAOYSA-N -1 0 365.429 4.165 10 0 in-vitro FIAERM O=C([O-])c1cn(-c2ccccc2F)nc1-c1ccc(Br)s1 ZINC000038002132 220845088 /nfs/dbraw/zinc/84/50/88/220845088.db2.gz RNIYMADZOJZSFC-UHFFFAOYSA-N -1 0 367.199 4.201 10 0 FIAERM CCc1ccccc1[S@](=O)Cc1nc(-c2ccc(C(=O)[O-])cc2)oc1C ZINC000049454362 221023255 /nfs/dbraw/zinc/02/32/55/221023255.db2.gz ZKZJNXYMALXRTP-SANMLTNESA-N -1 0 369.442 4.218 10 0 FIAERM CC(C)c1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000049455951 221023414 /nfs/dbraw/zinc/02/34/14/221023414.db2.gz FYDUQVLNLOILDK-UHFFFAOYSA-N -1 0 366.442 4.205 10 0 FIAERM CSc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000053994295 221048978 /nfs/dbraw/zinc/04/89/78/221048978.db2.gz UTGGHCKXAFOFEG-UHFFFAOYSA-N -1 0 358.444 4.449 10 0 FIAERM O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1 ZINC000070456815 221332749 /nfs/dbraw/zinc/33/27/49/221332749.db2.gz USMOTPVSKKLMHR-UHFFFAOYSA-N -1 0 367.714 4.305 10 0 FIAERM CCc1ccccc1Nc1nc(OCC(=O)[O-])cc(-c2ccc(C)cc2)n1 ZINC000073697635 221565600 /nfs/dbraw/zinc/56/56/00/221565600.db2.gz NATYJLHAVCMUAY-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM COCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073682928 221565645 /nfs/dbraw/zinc/56/56/45/221565645.db2.gz RMZGSGOPQARFOI-UHFFFAOYSA-N -1 0 370.792 4.434 10 0 FIAERM O=C([O-])c1ccc(Oc2cc(-c3ccccn3)nc(-c3cccnc3)n2)cc1 ZINC000073682622 221566131 /nfs/dbraw/zinc/56/61/31/221566131.db2.gz JZZRTQYTVVHOAJ-UHFFFAOYSA-N -1 0 370.368 4.091 10 0 FIAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2ccc(F)c(Cl)c2)n1 ZINC000073703270 221566741 /nfs/dbraw/zinc/56/67/41/221566741.db2.gz JPIVRNFPTDJXBX-UHFFFAOYSA-N -1 0 373.771 4.143 10 0 FIAERM CC(C)(C)CN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000090411759 221745322 /nfs/dbraw/zinc/74/53/22/221745322.db2.gz RGDOHFRHWYUDCJ-UHFFFAOYSA-N -1 0 367.445 4.368 10 0 FIAERM CCc1nc(Nc2ccc(-c3ccccc3)cc2)nc(OCC(=O)[O-])c1C ZINC000073698100 522406186 /nfs/dbraw/zinc/40/61/86/522406186.db2.gz DWOMISIOKCKSIX-UHFFFAOYSA-N -1 0 363.417 4.221 10 0 FIAERM Cc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(Br)c(C)c2)c1 ZINC000228999390 524103416 /nfs/dbraw/zinc/10/34/16/524103416.db2.gz GCGBSIRXURLFKW-UHFFFAOYSA-N -1 0 372.222 4.012 10 0 FIAERM CC/C=C/C/C=C/C[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C\CCC(=O)[O-] ZINC000256089750 528768511 /nfs/dbraw/zinc/76/85/11/528768511.db2.gz HLHYXXBCQOUTGK-GJRQSQMUSA-N -1 0 360.494 4.491 10 0 FIAERM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SC)c2cccnc12 ZINC000002455831 571323148 /nfs/dbraw/zinc/32/31/48/571323148.db2.gz CVTLDWJJHFEMJY-UHFFFAOYSA-N -1 0 374.487 4.156 10 0 FIAERM C[C@]1(c2ccccc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000000538575 219305182 /nfs/dbraw/zinc/30/51/82/219305182.db2.gz PRKWVSHZYDOZLP-GOSISDBHSA-N -1 0 365.212 4.154 10 0 in-man FIAERM O=C([O-])c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000002556193 219449598 /nfs/dbraw/zinc/44/95/98/219449598.db2.gz GWCOJZCMEYWBAX-FCHUYYIVSA-N -1 0 374.392 4.287 10 0 FIAERM C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)c1nc(C(=O)[O-])cs1 ZINC000008028398 219842593 /nfs/dbraw/zinc/84/25/93/219842593.db2.gz QFFYYEMYKWBHMY-GFCCVEGCSA-N -1 0 368.414 4.376 10 0 FIAERM O=C([O-])/C(=C\c1ccc(F)cc1)SCC(=O)Nc1ccc(Cl)cc1 ZINC000015055570 220142910 /nfs/dbraw/zinc/14/29/10/220142910.db2.gz XHLNBAFTFZJNFO-OQLLNIDSSA-N -1 0 365.813 4.277 10 0 FIAERM Cc1nc(SCc2ccc(Br)s2)sc1CC(=O)[O-] ZINC000020013814 220308635 /nfs/dbraw/zinc/30/86/35/220308635.db2.gz OIWOQNVQVLRISM-UHFFFAOYSA-N -1 0 364.311 4.195 10 0 FIAERM Cc1nc2sc3c(c2c(NCc2ccc(C(=O)[O-])cc2)n1)CC[C@@H](C)C3 ZINC000020316332 220320305 /nfs/dbraw/zinc/32/03/05/220320305.db2.gz NFGXQCCJHXUJQW-LLVKDONJSA-N -1 0 367.474 4.435 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(C(=O)[O-])c(O)c2)n1)CC[C@@H](C)C3 ZINC000020326802 220321518 /nfs/dbraw/zinc/32/15/18/220321518.db2.gz YONZYOUKHVFOAK-SECBINFHSA-N -1 0 369.446 4.272 10 0 FIAERM O=C([O-])c1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)s1 ZINC000038002141 220845384 /nfs/dbraw/zinc/84/53/84/220845384.db2.gz XPQZWFIXFROEQA-UHFFFAOYSA-N -1 0 367.199 4.201 10 0 FIAERM O=C([O-])C/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000050664162 221032776 /nfs/dbraw/zinc/03/27/76/221032776.db2.gz JRLYJZRWIKEQPA-FMIVXFBMSA-N -1 0 357.207 4.341 10 0 FIAERM CCc1nc(-c2ccc(Cl)cc2)nc(N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000073679827 132376828 /nfs/dbraw/zinc/37/68/28/132376828.db2.gz KVHZMYIDWYORQT-MRXNPFEDSA-N -1 0 359.857 4.111 10 0 FIAERM Cc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2N2CCOCC2)cc1 ZINC000011850125 132851278 /nfs/dbraw/zinc/85/12/78/132851278.db2.gz TXRLESPDPREDDY-UHFFFAOYSA-N -1 0 362.429 4.053 10 0 FIAERM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185390535 567839900 /nfs/dbraw/zinc/83/99/00/567839900.db2.gz RJGZVSNHANBZEX-IUODEOHRSA-N -1 0 366.244 4.349 10 0 FIAERM CC1(C)CC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000306638261 571112219 /nfs/dbraw/zinc/11/22/19/571112219.db2.gz CDDXCMDALKUWGB-UHFFFAOYSA-N -1 0 365.429 4.169 10 0 FIAERM CC(C)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CC1 ZINC000232634805 571148201 /nfs/dbraw/zinc/14/82/01/571148201.db2.gz AQEBRCWCJJZARC-UHFFFAOYSA-N -1 0 365.429 4.263 10 0 FIAERM Cc1nc([C@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)sc1C ZINC000408409632 1092676931 /nfs/dbraw/zinc/67/69/31/1092676931.db2.gz AQJZNWAOXRIYQC-NSHDSACASA-N -1 0 368.861 4.278 10 0 FIAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H](c2nccs2)C1 ZINC000114630520 1102547000 /nfs/dbraw/zinc/54/70/00/1102547000.db2.gz CYCNGEVEDRNHOA-VIFPVBQESA-N -1 0 357.262 4.175 10 0 FIAERM O=C([O-])c1ccc(-c2cc3cccnc3c(-c3ccc4nonc4c3)n2)cc1 ZINC000000603119 219304689 /nfs/dbraw/zinc/30/46/89/219304689.db2.gz IALXIRPKVRUJQO-UHFFFAOYSA-N -1 0 368.352 4.198 10 0 FIAERM C[C@@]1(c2ccccc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000000538561 219305119 /nfs/dbraw/zinc/30/51/19/219305119.db2.gz PRKWVSHZYDOZLP-SFHVURJKSA-N -1 0 365.212 4.154 10 0 in-man FIAERM CSc1cccc(NC(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])c1 ZINC000015782115 220165382 /nfs/dbraw/zinc/16/53/82/220165382.db2.gz XSLJEEROTDJMHD-KRWDZBQOSA-N -1 0 356.447 4.015 10 0 FIAERM CCc1ccc(N2C(=O)S/C(=C/c3ccccc3C(=O)[O-])C2=O)cc1 ZINC000016905909 220196751 /nfs/dbraw/zinc/19/67/51/220196751.db2.gz LZBXHDJFUKLCMF-LFIBNONCSA-N -1 0 353.399 4.188 10 0 FIAERM COc1ccccc1C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000020333969 220322808 /nfs/dbraw/zinc/32/28/08/220322808.db2.gz RCKUIAQJZOFHKW-UHFFFAOYSA-N -1 0 353.399 4.374 10 0 FIAERM Cc1nc2sc3c(c2c(Nc2ccc(CC(=O)[O-])cc2)n1)CCCC3 ZINC000020326747 220322898 /nfs/dbraw/zinc/32/28/98/220322898.db2.gz JJQNCZAVQIUKND-UHFFFAOYSA-N -1 0 353.447 4.249 10 0 FIAERM CCC(CC)C(=O)Nc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1C ZINC000021125179 220351722 /nfs/dbraw/zinc/35/17/22/220351722.db2.gz RJFPXOPQAFHVQN-UHFFFAOYSA-N -1 0 368.433 4.320 10 0 FIAERM C[C@H](C(=O)[O-])c1ccc2c(c1)N=C(c1ccc(Br)cc1)CO2 ZINC000033890746 220752438 /nfs/dbraw/zinc/75/24/38/220752438.db2.gz LDBQWHBCNQUGTJ-JTQLQIEISA-N -1 0 360.207 4.150 10 0 FIAERM O=C([O-])/C(=C\C=C\c1ccccc1)SCC(=O)Nc1ccc(F)cc1 ZINC000037117768 220833694 /nfs/dbraw/zinc/83/36/94/220833694.db2.gz BTKMQHBLFUMADL-AQHRCUNFSA-N -1 0 357.406 4.179 10 0 FIAERM O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000073679144 132376754 /nfs/dbraw/zinc/37/67/54/132376754.db2.gz DURHNXIAFHSJNF-LJQANCHMSA-N -1 0 359.429 4.254 10 0 FIAERM CCCc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000073681848 132376956 /nfs/dbraw/zinc/37/69/56/132376956.db2.gz BJBZUJJWCQIARO-UHFFFAOYSA-N -1 0 359.857 4.051 10 0 FIAERM O=C([O-])[C@H]1c2ccc(Br)cc2CCN1c1ccc(Cl)cc1 ZINC000002527048 132383753 /nfs/dbraw/zinc/38/37/53/132383753.db2.gz ONZOOSLJHMJVCM-OAHLLOKOSA-N -1 0 366.642 4.291 10 0 FIAERM Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(C)c(C)c3)n2)c1 ZINC000073697414 524109093 /nfs/dbraw/zinc/10/90/93/524109093.db2.gz RLTGPMQCCQCVTO-UHFFFAOYSA-N -1 0 363.417 4.276 10 0 FIAERM O=C([O-])c1cc(-c2ccc(I)cc2)ccc1Cl ZINC000725244331 570438009 /nfs/dbraw/zinc/43/80/09/570438009.db2.gz MIKGMJQDHLAAFV-UHFFFAOYSA-N -1 0 358.562 4.310 10 0 FIAERM C[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000235591378 571277149 /nfs/dbraw/zinc/27/71/49/571277149.db2.gz RFSOHOZSKYIBGC-GJZGRUSLSA-N -1 0 365.429 4.121 10 0 FIAERM