smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc(CN2CCN(c3ccccc3F)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000003347021 132265038 /nfs/dbraw/zinc/26/50/38/132265038.db2.gz ITEAYDAVXSSOSP-UHFFFAOYSA-N -1 3 420.513 4.113 50 0 HIAAHM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000005099665 132301298 /nfs/dbraw/zinc/30/12/98/132301298.db2.gz GXZQARAEZYARDV-UHFFFAOYSA-N -1 3 412.555 4.301 50 0 HIAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(C)CC2)cc1OC ZINC000022626204 557080659 /nfs/dbraw/zinc/08/06/59/557080659.db2.gz KVRXRFWNYXMWOO-SFHVURJKSA-N -1 3 416.547 4.033 50 0 HIAAHM COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)[N-]C(C)(C)C ZINC000001039693 557152593 /nfs/dbraw/zinc/15/25/93/557152593.db2.gz IUTYZZXGSSUDQE-UHFFFAOYSA-N -1 3 421.462 4.297 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3csc(C)c3)cc2)cc1 ZINC000001052308 557160331 /nfs/dbraw/zinc/16/03/31/557160331.db2.gz FWFPQVNPRCUKJQ-UHFFFAOYSA-N -1 3 402.497 4.118 50 0 HIAAHM COC(=O)c1sc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)nc1C ZINC000001054603 557161234 /nfs/dbraw/zinc/16/12/34/557161234.db2.gz UYPAPVPUKHRLDF-UHFFFAOYSA-N -1 3 409.826 4.246 50 0 HIAAHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(F)cc2)S1 ZINC000001063228 557165036 /nfs/dbraw/zinc/16/50/36/557165036.db2.gz LIUMHWDLVMXFMN-OVCLIPMQSA-N -1 3 408.248 4.491 50 0 HIAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000001074471 557172302 /nfs/dbraw/zinc/17/23/02/557172302.db2.gz GAMKKMNRFHMAPH-UHFFFAOYSA-N -1 3 406.825 4.094 50 0 HIAAHM CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000001104090 557179673 /nfs/dbraw/zinc/17/96/73/557179673.db2.gz YCEUPVCATASZLM-YVLHZVERSA-N -1 3 417.870 4.364 50 0 HIAAHM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)c1ccccc1 ZINC000001113404 557185164 /nfs/dbraw/zinc/18/51/64/557185164.db2.gz FIZOJTTUSCXPTL-JOCHJYFZSA-N -1 3 424.522 4.430 50 0 HIAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000001151958 557211647 /nfs/dbraw/zinc/21/16/47/557211647.db2.gz ICGHLBCDLMHWMX-BJOHPYRUSA-N -1 3 413.223 4.400 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103394 557446677 /nfs/dbraw/zinc/44/66/77/557446677.db2.gz QIYYFSFQTWDFQL-KRWDZBQOSA-N -1 3 418.774 4.143 50 0 HIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020725572 558404737 /nfs/dbraw/zinc/40/47/37/558404737.db2.gz AFTFCNBTGVJVEX-XMMPIXPASA-N -1 3 417.484 4.404 50 0 HIAAHM COc1cc(/C=C2/Sc3ccccc3C2=O)cc(I)c1[O-] ZINC000001436790 558430750 /nfs/dbraw/zinc/43/07/50/558430750.db2.gz QBMFHEYOBSFVCN-RIYZIHGNSA-N -1 3 410.232 4.335 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc1C ZINC000013096300 558513094 /nfs/dbraw/zinc/51/30/94/558513094.db2.gz ZOOFNLMODIGGJS-UHFFFAOYSA-N -1 3 400.525 4.347 50 0 HIAAHM CCOC([O-])=NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000013526235 558536867 /nfs/dbraw/zinc/53/68/67/558536867.db2.gz CGYBVYPOBTWRQO-UHFFFAOYSA-N -1 3 403.891 4.103 50 0 HIAAHM CCOC(=O)[N-]C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000013526235 558536869 /nfs/dbraw/zinc/53/68/69/558536869.db2.gz CGYBVYPOBTWRQO-UHFFFAOYSA-N -1 3 403.891 4.103 50 0 HIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)cc1 ZINC000023232549 558543977 /nfs/dbraw/zinc/54/39/77/558543977.db2.gz FECMKGHHFDTEJG-UHFFFAOYSA-N -1 3 422.915 4.192 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000013619181 558550117 /nfs/dbraw/zinc/55/01/17/558550117.db2.gz KLLBZQNNBYKXME-QHAWAJNXSA-N -1 3 404.853 4.391 50 0 HIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1 ZINC000033115267 558761268 /nfs/dbraw/zinc/76/12/68/558761268.db2.gz FHWOBJVVSGQELU-UHFFFAOYSA-N -1 3 414.571 4.244 50 0 HIAAHM CC(C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033115355 558761573 /nfs/dbraw/zinc/76/15/73/558761573.db2.gz OQFUSVDQHNCOJV-UHFFFAOYSA-N -1 3 400.544 4.167 50 0 HIAAHM COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c1[O-] ZINC000016310222 558785093 /nfs/dbraw/zinc/78/50/93/558785093.db2.gz ZKHSCINFVFLHON-UHFFFAOYSA-N -1 3 411.727 4.139 50 0 HIAAHM CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C)CC1 ZINC000016730662 558802165 /nfs/dbraw/zinc/80/21/65/558802165.db2.gz CBEABFKBDWBVKD-UHFFFAOYSA-N -1 3 409.555 4.091 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100722357 559138447 /nfs/dbraw/zinc/13/84/47/559138447.db2.gz JKBFEHQBJALXIB-BHIFYINESA-N -1 3 402.425 4.185 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000100722275 559138497 /nfs/dbraw/zinc/13/84/97/559138497.db2.gz HBUUSADWLVKENE-CEXWTWQISA-N -1 3 410.882 4.453 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1 ZINC000100737089 559138846 /nfs/dbraw/zinc/13/88/46/559138846.db2.gz NIZSWNKIVADIJS-PZJWPPBQSA-N -1 3 401.853 4.123 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl ZINC000100735066 559260777 /nfs/dbraw/zinc/26/07/77/559260777.db2.gz AMUMQYGPZWXRAT-FPOVZHCZSA-N -1 3 401.853 4.123 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1 ZINC000100738292 559260927 /nfs/dbraw/zinc/26/09/27/559260927.db2.gz GGKSNMOFUGECAQ-TZIWHRDSSA-N -1 3 401.853 4.123 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(O)c1 ZINC000135974128 559276454 /nfs/dbraw/zinc/27/64/54/559276454.db2.gz YVHMGXOOHASBAF-PWRODBHTSA-N -1 3 420.852 4.097 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccc(F)c1 ZINC000005501014 560601088 /nfs/dbraw/zinc/60/10/88/560601088.db2.gz PFUFINGZQLOXFT-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM COc1cccc(-n2c(SC(C(C)=O)=C(C)[O-])nnc2-c2c[nH]c3ccccc32)c1 ZINC000100830514 560759469 /nfs/dbraw/zinc/75/94/69/560759469.db2.gz KZMAXAFDWALKJU-UHFFFAOYSA-N -1 3 420.494 4.063 50 0 HIAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc3c2N(CCC3)C1=O ZINC000101079076 560771317 /nfs/dbraw/zinc/77/13/17/560771317.db2.gz XIYIMVDJUOPUPP-SNVBAGLBSA-N -1 3 411.310 4.191 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1C ZINC000102663068 560819284 /nfs/dbraw/zinc/81/92/84/560819284.db2.gz AOEICVJWOJBSDO-RJGXRXQPSA-N -1 3 416.452 4.494 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000102663080 560819293 /nfs/dbraw/zinc/81/92/93/560819293.db2.gz KQLJQEYSXFFULJ-RJGXRXQPSA-N -1 3 416.452 4.494 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102705402 560820556 /nfs/dbraw/zinc/82/05/56/560820556.db2.gz GRRKMZLJNJMNDH-QHAWAJNXSA-N -1 3 404.853 4.391 50 0 HIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000102712009 560822953 /nfs/dbraw/zinc/82/29/53/560822953.db2.gz RUFOYNQSJVCYMU-DNVJHFABSA-N -1 3 414.461 4.006 50 0 HIAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2cccc(Cl)c2)CC4=O)n1 ZINC000102744342 560823770 /nfs/dbraw/zinc/82/37/70/560823770.db2.gz CLNLDTFFQOMZQZ-CQSZACIVSA-N -1 3 419.872 4.099 50 0 HIAAHM COc1cc([C@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)ccc1O ZINC000102745839 560824022 /nfs/dbraw/zinc/82/40/22/560824022.db2.gz RQBSXGWBEFPACG-BBATYDOGSA-N -1 3 410.455 4.474 50 0 HIAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)ccc1O ZINC000102745836 560824054 /nfs/dbraw/zinc/82/40/54/560824054.db2.gz RQBSXGWBEFPACG-ZMZPIMSZSA-N -1 3 410.455 4.474 50 0 HIAAHM CCCCOc1ccc(C([O-])=C2C(=O)N[C@@]3(C)C[C@@H]2c2cccc(OC)c2O3)cc1 ZINC000103871243 560844581 /nfs/dbraw/zinc/84/45/81/560844581.db2.gz IIAMPISSZHXXBI-LJFZDNNRSA-N -1 3 409.482 4.085 50 0 HIAAHM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000045962037 568422842 /nfs/dbraw/zinc/42/28/42/568422842.db2.gz KHXNQRSLUZOECJ-UHFFFAOYSA-N -1 3 424.453 4.345 50 0 HIAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)ccc2OC)n1 ZINC000046020189 568423891 /nfs/dbraw/zinc/42/38/91/568423891.db2.gz ISWPADHAGQWWKH-UHFFFAOYSA-N -1 3 401.488 4.115 50 0 HIAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)cc1 ZINC000046057567 568426234 /nfs/dbraw/zinc/42/62/34/568426234.db2.gz HNWPIJHPWWPUDJ-KRWDZBQOSA-N -1 3 419.481 4.069 50 0 HIAAHM CCC(CC)C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033272991 568512442 /nfs/dbraw/zinc/51/24/42/568512442.db2.gz UZSDZLZOQGRXIA-UHFFFAOYSA-N -1 3 422.501 4.211 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000020034279 568586436 /nfs/dbraw/zinc/58/64/36/568586436.db2.gz ADWUUUJQYFCWKJ-ZSOFBXJNSA-N -1 3 412.452 4.383 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2cccnc2)cc1 ZINC000020855062 568645492 /nfs/dbraw/zinc/64/54/92/568645492.db2.gz DYRGUWZGTACILK-QHCPKHFHSA-N -1 3 424.460 4.398 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2cccnc2)cc1 ZINC000020855062 568645495 /nfs/dbraw/zinc/64/54/95/568645495.db2.gz DYRGUWZGTACILK-QHCPKHFHSA-N -1 3 424.460 4.398 50 0 HIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000238950802 568727670 /nfs/dbraw/zinc/72/76/70/568727670.db2.gz ZPZGLGQNLNPWBX-NJDAHSKKSA-N -1 3 420.490 4.198 50 0 HIAAHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000096392966 568744520 /nfs/dbraw/zinc/74/45/20/568744520.db2.gz SZIMUERWQVMKTQ-CQSZACIVSA-N -1 3 424.769 4.004 50 0 HIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc(N2CCCCC2)n1 ZINC000021794833 568753794 /nfs/dbraw/zinc/75/37/94/568753794.db2.gz SUHFGLUXTKWHFH-UHFFFAOYSA-N -1 3 423.542 4.320 50 0 HIAAHM COc1ccc([C@@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)c(OC)c1 ZINC000028726186 568804226 /nfs/dbraw/zinc/80/42/26/568804226.db2.gz IHWFFEISYWINKI-KRWDZBQOSA-N -1 3 405.454 4.436 50 0 HIAAHM Cc1ccc(OCc2nc(SCC(=O)c3ccc(Br)s3)n[n-]2)cc1 ZINC000003322908 568880801 /nfs/dbraw/zinc/88/08/01/568880801.db2.gz FOWQHGBJIFLIRI-UHFFFAOYSA-N -1 3 424.345 4.491 50 0 HIAAHM COC(=O)c1ccc(CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)cc1 ZINC000003364163 568888713 /nfs/dbraw/zinc/88/87/13/568888713.db2.gz JAYOHFKKLYJCDE-UHFFFAOYSA-N -1 3 421.450 4.148 50 0 HIAAHM COc1cc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc(OC)c1 ZINC000003468342 568907445 /nfs/dbraw/zinc/90/74/45/568907445.db2.gz BIXKRLVEEKFUCT-UHFFFAOYSA-N -1 3 420.491 4.169 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(CC(C)C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000004163577 568918403 /nfs/dbraw/zinc/91/84/03/568918403.db2.gz HTBSWMYYWNOREB-LJQANCHMSA-N -1 3 400.441 4.383 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1C ZINC000015671318 568961817 /nfs/dbraw/zinc/96/18/17/568961817.db2.gz ICSOCDTUASKPSK-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccccc3Cl)nc(=O)c2c1C ZINC000008135542 568976904 /nfs/dbraw/zinc/97/69/04/568976904.db2.gz CLOVHQALIKFXSG-GFCCVEGCSA-N -1 3 419.934 4.316 50 0 HIAAHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012857248 569011157 /nfs/dbraw/zinc/01/11/57/569011157.db2.gz VPBFXBNZUDGCDN-UHFFFAOYSA-N -1 3 424.353 4.334 50 0 HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1OC ZINC000012970327 569041097 /nfs/dbraw/zinc/04/10/97/569041097.db2.gz CDNSBDVJVNPNMT-UHFFFAOYSA-N -1 3 420.712 4.229 50 0 HIAAHM COC(=O)N=c1[n-]c2c(s1)CN(C(=O)NC(c1ccccc1)c1ccccc1)CC2 ZINC000090582571 569041269 /nfs/dbraw/zinc/04/12/69/569041269.db2.gz AIQLYADFZIJBKH-UHFFFAOYSA-N -1 3 422.510 4.179 50 0 HIAAHM O=S(=O)([N-]CCCc1ccccc1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557430 569044783 /nfs/dbraw/zinc/04/47/83/569044783.db2.gz FAVKOKPDHDRAKU-UHFFFAOYSA-N -1 3 417.556 4.367 50 0 HIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccc(Cl)cc2Cl)N1 ZINC000006394226 569046527 /nfs/dbraw/zinc/04/65/27/569046527.db2.gz ZPEOPISRYPYFCN-CYBMUJFWSA-N -1 3 401.237 4.086 50 0 HIAAHM O=C([N-]c1nncs1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000013002716 569049300 /nfs/dbraw/zinc/04/93/00/569049300.db2.gz YEWTWGCVCMHLCQ-UHFFFAOYSA-N -1 3 412.478 4.250 50 0 HIAAHM COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000013021830 569051151 /nfs/dbraw/zinc/05/11/51/569051151.db2.gz UXZJLVOXDKFYRV-AWEZNQCLSA-N -1 3 420.918 4.444 50 0 HIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000239403339 569054308 /nfs/dbraw/zinc/05/43/08/569054308.db2.gz RUFOYNQSJVCYMU-XPWALMASSA-N -1 3 414.461 4.006 50 0 HIAAHM CSc1nc(N2[C@H](O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)n[n-]1 ZINC000247549273 569057537 /nfs/dbraw/zinc/05/75/37/569057537.db2.gz VJDNVTCPFXKLIY-NVXWUHKLSA-N -1 3 400.891 4.029 50 0 HIAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2O1 ZINC000006670279 569086739 /nfs/dbraw/zinc/08/67/39/569086739.db2.gz OWTZMMRZVHIELH-UHFFFAOYSA-N -1 3 410.253 4.460 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCC2)cc1 ZINC000064861988 569110490 /nfs/dbraw/zinc/11/04/90/569110490.db2.gz HMACNTIBYFXEIK-UHFFFAOYSA-N -1 3 413.543 4.065 50 0 HIAAHM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000065115821 569179719 /nfs/dbraw/zinc/17/97/19/569179719.db2.gz UGHSLMLHMXUIPQ-UHFFFAOYSA-N -1 3 413.499 4.334 50 0 HIAAHM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(C)n2C)o1 ZINC000065186511 569192118 /nfs/dbraw/zinc/19/21/18/569192118.db2.gz QOHZFUYZCVZVTE-UHFFFAOYSA-N -1 3 408.911 4.017 50 0 HIAAHM CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)[N-]c4c(C)noc4C)c32)c1C ZINC000036619244 569210638 /nfs/dbraw/zinc/21/06/38/569210638.db2.gz CIKNOWJELQUESU-UHFFFAOYSA-N -1 3 406.446 4.149 50 0 HIAAHM CCc1cc2c(CSc3nnc(-c4ccc(OC)cc4)n3C)cc(=O)oc2cc1[O-] ZINC000036855207 569230364 /nfs/dbraw/zinc/23/03/64/569230364.db2.gz ZDYSICUXYQUXRX-UHFFFAOYSA-N -1 3 423.494 4.157 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(CNc3ncnc4ccccc43)c2)cc1 ZINC000170627332 569250306 /nfs/dbraw/zinc/25/03/06/569250306.db2.gz LEXBSZKMHXEZOY-UHFFFAOYSA-N -1 3 420.494 4.051 50 0 HIAAHM C[C@H](c1ccco1)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000170626260 569250378 /nfs/dbraw/zinc/25/03/78/569250378.db2.gz VSXXVOMBLBRJKO-LLVKDONJSA-N -1 3 401.260 4.249 50 0 HIAAHM C[C@H](Sc1nnc(-c2ccccc2[O-])o1)C(=O)Nc1ccc(Br)cc1 ZINC000000873613 571042791 /nfs/dbraw/zinc/04/27/91/571042791.db2.gz ZENNPLSKMZUBQG-JTQLQIEISA-N -1 3 420.288 4.324 50 0 HIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840671 571123572 /nfs/dbraw/zinc/12/35/72/571123572.db2.gz AURSYXYEOPZALG-UHFFFAOYSA-N -1 3 424.497 4.414 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2CCC1=O ZINC000008840772 571123823 /nfs/dbraw/zinc/12/38/23/571123823.db2.gz MHWGZLDXZWYKHK-UHFFFAOYSA-N -1 3 416.543 4.192 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840939 571124187 /nfs/dbraw/zinc/12/41/87/571124187.db2.gz NDIUYYWQHWSIQU-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(Cl)cc1 ZINC000040115402 571173006 /nfs/dbraw/zinc/17/30/06/571173006.db2.gz FKUODPUDUZOSIE-GFCCVEGCSA-N -1 3 421.881 4.099 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1C ZINC000009168682 571233413 /nfs/dbraw/zinc/23/34/13/571233413.db2.gz KKJCERKGQNHPOG-UHFFFAOYSA-N -1 3 416.543 4.387 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009171919 571234056 /nfs/dbraw/zinc/23/40/56/571234056.db2.gz YIOBWKBROFFFLT-UHFFFAOYSA-N -1 3 416.543 4.266 50 0 HIAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173166 571234162 /nfs/dbraw/zinc/23/41/62/571234162.db2.gz YTGSMBRSNRSWNJ-UHFFFAOYSA-N -1 3 402.516 4.142 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000009572462 571269099 /nfs/dbraw/zinc/26/90/99/571269099.db2.gz MLHUFUKRRRWBJV-UHFFFAOYSA-N -1 3 417.922 4.415 50 0 HIAAHM CCCNc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000009834244 571287667 /nfs/dbraw/zinc/28/76/67/571287667.db2.gz MNSKHIRMDQDNNY-UHFFFAOYSA-N -1 3 405.530 4.210 50 0 HIAAHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000077184266 571311958 /nfs/dbraw/zinc/31/19/58/571311958.db2.gz PFNOWALSPLFEHS-IBGZPJMESA-N -1 3 407.944 4.255 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c(C)c1 ZINC000005136514 132302609 /nfs/dbraw/zinc/30/26/09/132302609.db2.gz JQJHIZAQHUGWCI-UHFFFAOYSA-N -1 3 410.495 4.290 50 0 HIAAHM Cc1ccc(OCc2nc(S[C@@H](C)C(=O)N3CCCc4ccccc43)n[n-]2)cc1 ZINC000006711184 132313361 /nfs/dbraw/zinc/31/33/61/132313361.db2.gz QMVJGPVLTMIANH-INIZCTEOSA-N -1 3 408.527 4.152 50 0 HIAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000032943904 519636026 /nfs/dbraw/zinc/63/60/26/519636026.db2.gz XTDHDORYVNISFG-JTQLQIEISA-N -1 3 414.911 4.127 50 0 HIAAHM C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032901311 525532287 /nfs/dbraw/zinc/53/22/87/525532287.db2.gz PRRGGEVBVYULPB-OAHLLOKOSA-N -1 3 410.470 4.218 50 0 HIAAHM O=C(NC(=S)Nc1c([O-])ccc2ccccc21)c1ccccc1Br ZINC000000678860 557054880 /nfs/dbraw/zinc/05/48/80/557054880.db2.gz XBROQNWFVCONDN-UHFFFAOYSA-N -1 3 401.285 4.435 50 0 HIAAHM Cc1csc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)n1 ZINC000001050897 557159772 /nfs/dbraw/zinc/15/97/72/557159772.db2.gz FKJXRSIOZCKNQG-UHFFFAOYSA-N -1 3 423.523 4.136 50 0 HIAAHM O=C(CSc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000001109619 557182323 /nfs/dbraw/zinc/18/23/23/557182323.db2.gz JHMADMSGANXGGW-UHFFFAOYSA-N -1 3 404.447 4.093 50 0 HIAAHM CCOC(=O)c1ccc([N-]c2nnc(CSc3nc(C)cc(C)n3)s2)cc1 ZINC000001114449 557186053 /nfs/dbraw/zinc/18/60/53/557186053.db2.gz RHMATROJHNPITM-UHFFFAOYSA-N -1 3 401.517 4.158 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002300480 557335384 /nfs/dbraw/zinc/33/53/84/557335384.db2.gz WCDOGQLSLKOGSA-SFHVURJKSA-N -1 3 414.811 4.312 50 0 HIAAHM CCOC(=O)[C@]([N-]c1cccc(C)c1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002306120 557335935 /nfs/dbraw/zinc/33/59/35/557335935.db2.gz RSOOEDHQKJLZDR-SFHVURJKSA-N -1 3 414.811 4.312 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103390 557446733 /nfs/dbraw/zinc/44/67/33/557446733.db2.gz OVDOYGFZHUMMDN-KRWDZBQOSA-N -1 3 400.784 4.004 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138070 557450454 /nfs/dbraw/zinc/45/04/54/557450454.db2.gz QJYVQIWKTGJZNT-QGZVFWFLSA-N -1 3 400.784 4.004 50 0 HIAAHM O=C(c1ccccc1Br)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000004163406 557522415 /nfs/dbraw/zinc/52/24/15/557522415.db2.gz BHDRDDIGQNNDHO-ABAIWWIYSA-N -1 3 405.214 4.092 50 0 HIAAHM COc1cc(NC(C)=O)c(Cl)cc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000004815781 557601457 /nfs/dbraw/zinc/60/14/57/557601457.db2.gz FEKSATWGKMTXIA-UHFFFAOYSA-N -1 3 416.890 4.002 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2cccc(O)c2)on1 ZINC000004881107 557609762 /nfs/dbraw/zinc/60/97/62/557609762.db2.gz QVCNXBHKYGCRCS-UHFFFAOYSA-N -1 3 414.439 4.049 50 0 HIAAHM COc1ccccc1[C@@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000009348458 557838358 /nfs/dbraw/zinc/83/83/58/557838358.db2.gz SUQLZHADRVVVOV-HXUWFJFHSA-N -1 3 423.432 4.186 50 0 HIAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000012139775 558334587 /nfs/dbraw/zinc/33/45/87/558334587.db2.gz CXUWSRBNENFTCS-UHFFFAOYSA-N -1 3 423.169 4.363 50 0 HIAAHM Cc1ccc(Oc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2)cc1 ZINC000021663822 558445220 /nfs/dbraw/zinc/44/52/20/558445220.db2.gz DMKSIOXQYRIWHK-UHFFFAOYSA-N -1 3 421.478 4.316 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)c(C)c1C ZINC000022959742 558527996 /nfs/dbraw/zinc/52/79/96/558527996.db2.gz PMVUXWXVXDZIAY-UHFFFAOYSA-N -1 3 410.543 4.234 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000013662036 558559937 /nfs/dbraw/zinc/55/99/37/558559937.db2.gz GZHKIWXLDRAFST-QHAWAJNXSA-N -1 3 420.852 4.097 50 0 HIAAHM O=C(Cc1ccc(Cl)cc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024925632 558620742 /nfs/dbraw/zinc/62/07/42/558620742.db2.gz RDPLWQNMYPWVAV-UHFFFAOYSA-N -1 3 418.877 4.461 50 0 HIAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000014371978 558653627 /nfs/dbraw/zinc/65/36/27/558653627.db2.gz KJSPNBIUFRKEOZ-UHFFFAOYSA-N -1 3 417.581 4.126 50 0 HIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)nc2n1 ZINC000015390679 558737533 /nfs/dbraw/zinc/73/75/33/558737533.db2.gz QNQYOJZPLRYOFG-GFCCVEGCSA-N -1 3 402.907 4.428 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000016293383 558784471 /nfs/dbraw/zinc/78/44/71/558784471.db2.gz YXZWOCBGQZPKFH-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM CCOC(=O)c1c(C)c(C(N)=O)sc1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000017093351 558821827 /nfs/dbraw/zinc/82/18/27/558821827.db2.gz LGCKBNISAOZIGZ-UHFFFAOYSA-N -1 3 422.915 4.453 50 0 HIAAHM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033007511 558828380 /nfs/dbraw/zinc/82/83/80/558828380.db2.gz KCBMNRNWKFCYFY-UHFFFAOYSA-N -1 3 403.529 4.371 50 0 HIAAHM O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1cccc([O-])c1 ZINC000001002937 558836106 /nfs/dbraw/zinc/83/61/06/558836106.db2.gz CCRCJXKOQBBQJS-LDADJPATSA-N -1 3 406.488 4.092 50 0 HIAAHM CCc1cc(-c2csc(S(=O)(=O)[N-]CCc3ccc(SC)cc3)c2)on1 ZINC000033169543 558902934 /nfs/dbraw/zinc/90/29/34/558902934.db2.gz FWDYXIDWCKSSKH-UHFFFAOYSA-N -1 3 408.570 4.208 50 0 HIAAHM CCC(CC)C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033272956 559034438 /nfs/dbraw/zinc/03/44/38/559034438.db2.gz OALOGOIMMYPLQK-UHFFFAOYSA-N -1 3 404.511 4.072 50 0 HIAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957632 559087439 /nfs/dbraw/zinc/08/74/39/559087439.db2.gz KVBFPHMJXQRWSE-LIRRHRJNSA-N -1 3 417.412 4.294 50 0 HIAAHM O=S(=O)([N-]c1ccccc1Br)c1ccc(Br)cc1F ZINC000096170842 559100927 /nfs/dbraw/zinc/10/09/27/559100927.db2.gz KDZRKMMPNYQGSI-UHFFFAOYSA-N -1 3 409.074 4.152 50 0 HIAAHM COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000005149981 559252025 /nfs/dbraw/zinc/25/20/25/559252025.db2.gz OUUHGPLUKUYUEN-RTBURBONSA-N -1 3 415.453 4.278 50 0 HIAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccccc4)c(-c4ccccc4)s3)nn21 ZINC000003423345 560594504 /nfs/dbraw/zinc/59/45/04/560594504.db2.gz DVPWOHWCYVLWPI-UHFFFAOYSA-N -1 3 412.478 4.476 50 0 HIAAHM CCN1c2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2CCC1=O ZINC000017289141 560705995 /nfs/dbraw/zinc/70/59/95/560705995.db2.gz LAZOQPKHZQTGFH-UHFFFAOYSA-N -1 3 400.544 4.329 50 0 HIAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC)nn3)c2)cc1 ZINC000017271043 560706674 /nfs/dbraw/zinc/70/66/74/560706674.db2.gz KXGDGYUBFMYXJF-UHFFFAOYSA-N -1 3 413.499 4.132 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000017747584 560725355 /nfs/dbraw/zinc/72/53/55/560725355.db2.gz NBHWJPUIBACJGY-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000017994447 560733555 /nfs/dbraw/zinc/73/35/55/560733555.db2.gz OQMSVMBTGWOPNJ-QHAWAJNXSA-N -1 3 420.490 4.116 50 0 HIAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)c(C)c1 ZINC000101796891 560801779 /nfs/dbraw/zinc/80/17/79/560801779.db2.gz JFAXXUCLZPPMKW-UHFFFAOYSA-N -1 3 416.529 4.382 50 0 HIAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000102729728 560822255 /nfs/dbraw/zinc/82/22/55/560822255.db2.gz FVYSIYMSOZLWHG-BHIFYINESA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000102734129 560822706 /nfs/dbraw/zinc/82/27/06/560822706.db2.gz TXGUTMNUCUJRAZ-PWRODBHTSA-N -1 3 419.868 4.095 50 0 HIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000102712006 560822946 /nfs/dbraw/zinc/82/29/46/560822946.db2.gz RUFOYNQSJVCYMU-YTFSRNRJSA-N -1 3 414.461 4.006 50 0 HIAAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000102756894 560825971 /nfs/dbraw/zinc/82/59/71/560825971.db2.gz ILPVRDSCXQFLTK-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM C[C@H](Sc1nnnn1C1CCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018386677 560876166 /nfs/dbraw/zinc/87/61/66/560876166.db2.gz MQFGFTYNWBKMPL-JTQLQIEISA-N -1 3 414.516 4.200 50 0 HIAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CCCCC1)c1ccc(Cl)s1 ZINC000047146886 560882619 /nfs/dbraw/zinc/88/26/19/560882619.db2.gz GKXDHCPCAWXQIO-UHFFFAOYSA-N -1 3 410.952 4.130 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1 ZINC000046056784 568426089 /nfs/dbraw/zinc/42/60/89/568426089.db2.gz DQUGFFDCXAQTPY-KRWDZBQOSA-N -1 3 419.481 4.123 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(C)c(C)c1 ZINC000046056781 568426111 /nfs/dbraw/zinc/42/61/11/568426111.db2.gz DQUGFFDCXAQTPY-QGZVFWFLSA-N -1 3 419.481 4.123 50 0 HIAAHM Cc1cc(C)c(OCC(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000049997535 568453771 /nfs/dbraw/zinc/45/37/71/568453771.db2.gz GZENOVQNLPSYSM-HXUWFJFHSA-N -1 3 412.452 4.410 50 0 HIAAHM CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([O-])cc2)C3=O)cc1 ZINC000000838326 568515663 /nfs/dbraw/zinc/51/56/63/568515663.db2.gz AVQACDOULFBSTD-UHFFFAOYSA-N -1 3 402.406 4.334 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)C(F)(F)F)sc2c1-c1cc(OC)c(OC)cc1C2 ZINC000095478067 568631547 /nfs/dbraw/zinc/63/15/47/568631547.db2.gz JEGYUQXDYHVHKX-UHFFFAOYSA-N -1 3 415.389 4.014 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCc2ccccc2Cl)S1 ZINC000020896314 568649184 /nfs/dbraw/zinc/64/91/84/568649184.db2.gz YIRXYLDFRMAFOX-IBGZPJMESA-N -1 3 417.918 4.228 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCc2ccccc2F)S1 ZINC000020896131 568649210 /nfs/dbraw/zinc/64/92/10/568649210.db2.gz CLSBXECLJQPDSD-SFHVURJKSA-N -1 3 421.881 4.059 50 0 HIAAHM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc2cc(Br)ccc2[nH]1 ZINC000096035255 568687075 /nfs/dbraw/zinc/68/70/75/568687075.db2.gz PRDCAEKLBLXGLV-FPLPWBNLSA-N -1 3 412.696 4.391 50 0 HIAAHM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc2ccc(Br)cc2[nH]1 ZINC000096035255 568687076 /nfs/dbraw/zinc/68/70/76/568687076.db2.gz PRDCAEKLBLXGLV-FPLPWBNLSA-N -1 3 412.696 4.391 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc3nccnc32)S1 ZINC000096117339 568696996 /nfs/dbraw/zinc/69/69/96/568696996.db2.gz BAMYUBHGXOJNQW-SCLBCKFNSA-N -1 3 409.515 4.136 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc3cccnc32)CCO1 ZINC000096117747 568697340 /nfs/dbraw/zinc/69/73/40/568697340.db2.gz OEXAQJUCUMFAEZ-KUHUBIRLSA-N -1 3 424.526 4.042 50 0 HIAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000229969057 568716282 /nfs/dbraw/zinc/71/62/82/568716282.db2.gz LTLGWXSSEIRPKA-PWRODBHTSA-N -1 3 404.491 4.416 50 0 HIAAHM Cc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c([O-])ccc2ccccc21 ZINC000003111194 568727636 /nfs/dbraw/zinc/72/76/36/568727636.db2.gz GZJITLGKJWTQSQ-QFIPXVFZSA-N -1 3 401.466 4.463 50 0 HIAAHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(Cl)c1 ZINC000096392967 568744576 /nfs/dbraw/zinc/74/45/76/568744576.db2.gz SZIMUERWQVMKTQ-AWEZNQCLSA-N -1 3 424.769 4.004 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000021794805 568753470 /nfs/dbraw/zinc/75/34/70/568753470.db2.gz SLNYSXYNTNWJRO-UHFFFAOYSA-N -1 3 423.542 4.238 50 0 HIAAHM O=C(NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1)c1ccc([O-])cc1 ZINC000001102351 568771454 /nfs/dbraw/zinc/77/14/54/568771454.db2.gz HPDANVKQMIMQQE-UHFFFAOYSA-N -1 3 417.303 4.226 50 0 HIAAHM Cc1ccc(-c2csc3[n-]c(CNc4ccc5c(c4)OCCO5)nc(=O)c23)s1 ZINC000012561236 568858497 /nfs/dbraw/zinc/85/84/97/568858497.db2.gz YHCBDDWXAWSVAC-UHFFFAOYSA-N -1 3 411.508 4.405 50 0 HIAAHM COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Br)c1[O-] ZINC000003647441 568866124 /nfs/dbraw/zinc/86/61/24/568866124.db2.gz FVJBGCNKGRQIOZ-VPTHRUTESA-N -1 3 423.332 4.204 50 0 HIAAHM O=C([O-])c1ccc(NC(=O)CN(CCc2ccccc2)CCc2ccccc2)cc1 ZINC000003247490 568867287 /nfs/dbraw/zinc/86/72/87/568867287.db2.gz WIPIGJDADDCYAT-UHFFFAOYSA-N -1 3 402.494 4.111 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1 ZINC000012630224 568883224 /nfs/dbraw/zinc/88/32/24/568883224.db2.gz VXAJSPYHEXESTQ-CALCHBBNSA-N -1 3 400.544 4.222 50 0 HIAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1CC(F)(F)F ZINC000003416887 568899256 /nfs/dbraw/zinc/89/92/56/568899256.db2.gz UTGSCOZMDACOHP-UHFFFAOYSA-N -1 3 400.451 4.489 50 0 HIAAHM CCc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C(=O)OC)c2cccs2)cc1 ZINC000012746555 568932621 /nfs/dbraw/zinc/93/26/21/568932621.db2.gz RNDDQFWWAQYXKX-KRWDZBQOSA-N -1 3 421.565 4.227 50 0 HIAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(Cl)cc4Cl)cs3)nn21 ZINC000012761237 568945493 /nfs/dbraw/zinc/94/54/93/568945493.db2.gz LADDRNIHRWZYTL-UHFFFAOYSA-N -1 3 405.270 4.115 50 0 HIAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000004275477 568958025 /nfs/dbraw/zinc/95/80/25/568958025.db2.gz GHKGMQPPIGRLFU-UHFFFAOYSA-N -1 3 405.460 4.161 50 0 HIAAHM COc1ccc(Cn2c(C)c(CNCc3ccccc3OC)c(C(=O)[O-])c2C)cc1 ZINC000015777148 568999490 /nfs/dbraw/zinc/99/94/90/568999490.db2.gz KHWZNTPVZOQPDP-UHFFFAOYSA-N -1 3 408.498 4.158 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000245239889 569055274 /nfs/dbraw/zinc/05/52/74/569055274.db2.gz GRRKMZLJNJMNDH-NJDAHSKKSA-N -1 3 404.853 4.391 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000245256112 569055503 /nfs/dbraw/zinc/05/55/03/569055503.db2.gz NSWXOHWQFKYLJZ-DNVJHFABSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1cc(OCc2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc(C)c1Cl ZINC000006527790 569063194 /nfs/dbraw/zinc/06/31/94/569063194.db2.gz TZLDRUATRPUGJM-UHFFFAOYSA-N -1 3 403.891 4.176 50 0 HIAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1 ZINC000064801802 569097821 /nfs/dbraw/zinc/09/78/21/569097821.db2.gz HPPLQSGOUOGBOJ-UHFFFAOYSA-N -1 3 423.542 4.238 50 0 HIAAHM O=C([O-])c1c(CNCc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1 ZINC000006803651 569130069 /nfs/dbraw/zinc/13/00/69/569130069.db2.gz DICTVBMJFACMFY-UHFFFAOYSA-N -1 3 414.461 4.406 50 0 HIAAHM CCc1ccc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000065034980 569158663 /nfs/dbraw/zinc/15/86/63/569158663.db2.gz AKKHJYQGCQHTDU-UHFFFAOYSA-N -1 3 413.880 4.292 50 0 HIAAHM COc1ccc(Br)cc1CNCc1c2ccc(C)cc2[nH]c1C(=O)[O-] ZINC000006894444 569175739 /nfs/dbraw/zinc/17/57/39/569175739.db2.gz NHFKZNAXDDUFHU-UHFFFAOYSA-N -1 3 403.276 4.235 50 0 HIAAHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000065116771 569179979 /nfs/dbraw/zinc/17/99/79/569179979.db2.gz XWRFYJBLSJPSLG-MRXNPFEDSA-N -1 3 413.634 4.031 50 0 HIAAHM Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000006919324 569181630 /nfs/dbraw/zinc/18/16/30/569181630.db2.gz UHSOHFVNMODORV-UHFFFAOYSA-N -1 3 404.507 4.388 50 0 HIAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2C1=O ZINC000065241564 569201820 /nfs/dbraw/zinc/20/18/20/569201820.db2.gz ZLCIGQMKYFHQIH-UHFFFAOYSA-N -1 3 423.494 4.272 50 0 HIAAHM CCCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C1=O ZINC000065241593 569201832 /nfs/dbraw/zinc/20/18/32/569201832.db2.gz LOKMEALQTIBCQH-UHFFFAOYSA-N -1 3 423.494 4.353 50 0 HIAAHM O=C(CSc1ncnc2sc(-c3ccccc3)cc21)[N-]C(=O)c1cccs1 ZINC000007214137 569229034 /nfs/dbraw/zinc/22/90/34/569229034.db2.gz CEAPVEQOABEFPZ-UHFFFAOYSA-N -1 3 411.533 4.469 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2C)cc1 ZINC000007230636 569229625 /nfs/dbraw/zinc/22/96/25/569229625.db2.gz IHIKSBLUXGTZNM-UHFFFAOYSA-N -1 3 402.497 4.118 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000017050985 569272526 /nfs/dbraw/zinc/27/25/26/569272526.db2.gz BORBYWBKYUTOMM-UHFFFAOYSA-N -1 3 423.542 4.238 50 0 HIAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000037384058 569295145 /nfs/dbraw/zinc/29/51/45/569295145.db2.gz GDTDWXKQXDCZBW-SKDRFNHKSA-N -1 3 411.159 4.069 50 0 HIAAHM COc1ccc(-c2cc(COC(=O)c3cc(-c4cccs4)[n-]n3)no2)cc1OC ZINC000038766903 571081251 /nfs/dbraw/zinc/08/12/51/571081251.db2.gz URLZPPFZQMQBAG-UHFFFAOYSA-N -1 3 411.439 4.167 50 0 HIAAHM COc1ccc(-c2cc(COC(=O)c3cc(-c4cccs4)n[n-]3)no2)cc1OC ZINC000038766903 571081253 /nfs/dbraw/zinc/08/12/53/571081253.db2.gz URLZPPFZQMQBAG-UHFFFAOYSA-N -1 3 411.439 4.167 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c(C)c1 ZINC000008609912 571093962 /nfs/dbraw/zinc/09/39/62/571093962.db2.gz RFRJJWALRCZIKK-UHFFFAOYSA-N -1 3 408.527 4.161 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2CCC1=O ZINC000008840599 571123620 /nfs/dbraw/zinc/12/36/20/571123620.db2.gz DPLLIKLEBNJTMQ-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)s1 ZINC000009096078 571220917 /nfs/dbraw/zinc/22/09/17/571220917.db2.gz QBNLCWVSELXIGI-UHFFFAOYSA-N -1 3 423.523 4.136 50 0 HIAAHM O=c1nc(CSc2nc3ccccc3c(=O)[nH]2)[n-]c2scc(-c3ccccc3)c21 ZINC000009128331 571227126 /nfs/dbraw/zinc/22/71/26/571227126.db2.gz JAYXREQZDNIZLQ-UHFFFAOYSA-N -1 3 418.503 4.180 50 0 HIAAHM Cc1cc(CNC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc(C)c1O ZINC000009283167 571244850 /nfs/dbraw/zinc/24/48/50/571244850.db2.gz CVHUPILKFRPKSH-UHFFFAOYSA-N -1 3 418.519 4.152 50 0 HIAAHM O=C(CSc1nc2ccccc2c(Nc2ccccc2)n1)[N-]C(=O)c1cccs1 ZINC000009548598 571267932 /nfs/dbraw/zinc/26/79/32/571267932.db2.gz QFZSYDXLRWRRSC-UHFFFAOYSA-N -1 3 420.519 4.484 50 0 HIAAHM CCc1ccccc1OCCSc1nc(-c2ccc(C)cc2)nc2cc(=O)[n-]n21 ZINC000009640719 571275765 /nfs/dbraw/zinc/27/57/65/571275765.db2.gz GWASNLOKPCSXFX-UHFFFAOYSA-N -1 3 406.511 4.127 50 0 HIAAHM O=C(Cc1c[nH]c2ccccc12)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009751884 571284204 /nfs/dbraw/zinc/28/42/04/571284204.db2.gz YWRBWGBGIKETJW-UHFFFAOYSA-N -1 3 423.469 4.289 50 0 HIAAHM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000077184276 571311927 /nfs/dbraw/zinc/31/19/27/571311927.db2.gz XJDCZBPGZUIKPE-QFIPXVFZSA-N -1 3 415.942 4.334 50 0 HIAAHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000009355727 132338942 /nfs/dbraw/zinc/33/89/42/132338942.db2.gz KYBCHZAIKDXAAH-UHFFFAOYSA-N -1 3 401.297 4.070 50 0 HIAAHM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032089346 526315637 /nfs/dbraw/zinc/31/56/37/526315637.db2.gz CLWOOACAQBBTBF-SNXGKTBFSA-N -1 3 409.917 4.278 50 0 HIAAHM O=c1nc(N2CCN(Cc3ccccc3)CC2)[n-]c2c(-c3ccc(F)cc3)csc21 ZINC000048986599 527439745 /nfs/dbraw/zinc/43/97/45/527439745.db2.gz NWLOTBSIXQRNCF-UHFFFAOYSA-N -1 3 420.513 4.113 50 0 HIAAHM CCOc1ccc(OCc2cccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c2)cc1 ZINC000000652895 557039499 /nfs/dbraw/zinc/03/94/99/557039499.db2.gz NUNZDMQHYSCIDC-HXUWFJFHSA-N -1 3 422.403 4.137 50 0 HIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)N1 ZINC000000652711 557039622 /nfs/dbraw/zinc/03/96/22/557039622.db2.gz UWLUJYPRZNBXHO-HXUWFJFHSA-N -1 3 406.404 4.355 50 0 HIAAHM CCOc1ccc(OCc2ccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)cc2)cc1 ZINC000000655713 557040752 /nfs/dbraw/zinc/04/07/52/557040752.db2.gz CLGIORWGVRNLPT-HXUWFJFHSA-N -1 3 422.403 4.137 50 0 HIAAHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000001003741 557140114 /nfs/dbraw/zinc/14/01/14/557140114.db2.gz NVLXDNQIXVWZTB-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000001079508 557175274 /nfs/dbraw/zinc/17/52/74/557175274.db2.gz MQMKWRIQCRKQPR-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002188014 557324485 /nfs/dbraw/zinc/32/44/85/557324485.db2.gz KHRKDKMBLLSOGG-KRWDZBQOSA-N -1 3 418.774 4.143 50 0 HIAAHM CCCCCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000002190688 557325136 /nfs/dbraw/zinc/32/51/36/557325136.db2.gz PUOBZVZNQUEWQY-UHFFFAOYSA-N -1 3 402.516 4.183 50 0 HIAAHM O=C(c1ccccc1Br)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000004163407 557522395 /nfs/dbraw/zinc/52/23/95/557522395.db2.gz BHDRDDIGQNNDHO-XHDPSFHLSA-N -1 3 405.214 4.092 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2cccc(OC)c2)on1 ZINC000004880822 557609442 /nfs/dbraw/zinc/60/94/42/557609442.db2.gz QJWQCXKUDMRRGF-UHFFFAOYSA-N -1 3 400.456 4.458 50 0 HIAAHM COc1cc(CN2CCC[C@H]3CCCC[C@@H]32)cc(I)c1[O-] ZINC000004988976 557621854 /nfs/dbraw/zinc/62/18/54/557621854.db2.gz JZAASMHKFMEDIL-HIFRSBDPSA-N -1 3 401.288 4.160 50 0 HIAAHM Cn1nc(C(F)(F)F)c2cc(C(=O)[N-]c3nnc(-c4ccccc4)s3)sc21 ZINC000020617061 558393509 /nfs/dbraw/zinc/39/35/09/558393509.db2.gz DLUCYFWGDPLQFH-UHFFFAOYSA-N -1 3 409.418 4.424 50 0 HIAAHM CCc1cc2c(CN(C)CC(=O)Nc3cccc4ccccc43)cc(=O)oc2cc1[O-] ZINC000013038916 558505872 /nfs/dbraw/zinc/50/58/72/558505872.db2.gz AAZZLKOMTZONSV-UHFFFAOYSA-N -1 3 416.477 4.285 50 0 HIAAHM [O-]c1ccc(CN2CCN(Cc3ccc(Br)s3)CC2)c2cccnc12 ZINC000022809151 558514054 /nfs/dbraw/zinc/51/40/54/558514054.db2.gz IGQDXULFXLMQOU-UHFFFAOYSA-N -1 3 418.360 4.082 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013662048 558559968 /nfs/dbraw/zinc/55/99/68/558559968.db2.gz FSDUJCWLMIKSOR-NJDAHSKKSA-N -1 3 420.852 4.097 50 0 HIAAHM C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000014086089 558618675 /nfs/dbraw/zinc/61/86/75/558618675.db2.gz LKXXSTASPBGGBF-LLVKDONJSA-N -1 3 415.569 4.455 50 0 HIAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000014227921 558639105 /nfs/dbraw/zinc/63/91/05/558639105.db2.gz HOTJALFGGOGOOK-UHFFFAOYSA-N -1 3 420.465 4.055 50 0 HIAAHM Cc1cc([N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)CC3)on1 ZINC000014706457 558664424 /nfs/dbraw/zinc/66/44/24/558664424.db2.gz PHDLTIJDOHKXBM-OAHLLOKOSA-N -1 3 421.497 4.478 50 0 HIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4cc(C)cc(C)c4o3)on2)cc1OC ZINC000027985422 558687254 /nfs/dbraw/zinc/68/72/54/558687254.db2.gz RUSLEIIXJPLNLB-UHFFFAOYSA-N -1 3 420.421 4.334 50 0 HIAAHM CSc1nnc2c(n1)O[C@@H](c1cc([O-])ccc1Br)Nc1ccccc1-2 ZINC000015018368 558702871 /nfs/dbraw/zinc/70/28/71/558702871.db2.gz CUTYZJNMUOSRRC-HNNXBMFYSA-N -1 3 417.288 4.232 50 0 HIAAHM CC(C)c1ccc([C@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000015044163 558704285 /nfs/dbraw/zinc/70/42/85/558704285.db2.gz LYNDFFXGWPJBHK-SFHVURJKSA-N -1 3 423.557 4.044 50 0 HIAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCC1 ZINC000030020552 558726108 /nfs/dbraw/zinc/72/61/08/558726108.db2.gz ZOZKGYKITMEMSL-UHFFFAOYSA-N -1 3 419.717 4.294 50 0 HIAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033115373 558761605 /nfs/dbraw/zinc/76/16/05/558761605.db2.gz IGLXLCHXHNQSPE-KRWDZBQOSA-N -1 3 400.544 4.051 50 0 HIAAHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000016625850 558797008 /nfs/dbraw/zinc/79/70/08/558797008.db2.gz PHFFROHIQUMHNK-UHFFFAOYSA-N -1 3 410.948 4.099 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cc1ccccc1 ZINC000016729794 558802145 /nfs/dbraw/zinc/80/21/45/558802145.db2.gz KWTGQDHRUZMQAA-UHFFFAOYSA-N -1 3 413.495 4.104 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)c(C)c1 ZINC000013696221 558856494 /nfs/dbraw/zinc/85/64/94/558856494.db2.gz ZHBURPIUKWSEPX-UHFFFAOYSA-N -1 3 412.536 4.369 50 0 HIAAHM CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700326 558907815 /nfs/dbraw/zinc/90/78/15/558907815.db2.gz DWCVXBWFVNIXHI-UTKZUKDTSA-N -1 3 400.494 4.052 50 0 HIAAHM CCCC[C@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700327 558907827 /nfs/dbraw/zinc/90/78/27/558907827.db2.gz DWCVXBWFVNIXHI-UWJYYQICSA-N -1 3 400.494 4.052 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2C)cc1 ZINC000023155757 559021907 /nfs/dbraw/zinc/02/19/07/559021907.db2.gz FYUYFIDNCWKNBL-UHFFFAOYSA-N -1 3 400.456 4.040 50 0 HIAAHM COc1ccccc1CN1CCc2nc(SCc3cccc(C)c3)[n-]c(=O)c2C1 ZINC000033287264 559043875 /nfs/dbraw/zinc/04/38/75/559043875.db2.gz PWQBYPWXKSIVMG-UHFFFAOYSA-N -1 3 407.539 4.350 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)c(C)c1C ZINC000023997133 559187188 /nfs/dbraw/zinc/18/71/88/559187188.db2.gz DLGKJQGZRLXKEU-UHFFFAOYSA-N -1 3 422.510 4.131 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1 ZINC000100738298 559260912 /nfs/dbraw/zinc/26/09/12/559260912.db2.gz GGKSNMOFUGECAQ-FPOVZHCZSA-N -1 3 401.853 4.123 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000137399060 559280069 /nfs/dbraw/zinc/28/00/69/559280069.db2.gz GZHKIWXLDRAFST-PCCBWWKXSA-N -1 3 420.852 4.097 50 0 HIAAHM [O-]c1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccccc1 ZINC000005179840 559289279 /nfs/dbraw/zinc/28/92/79/559289279.db2.gz AQUDKPAFMBXGTI-FQEVSTJZSA-N -1 3 408.417 4.488 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccn2)cs1 ZINC000005244344 560550057 /nfs/dbraw/zinc/55/00/57/560550057.db2.gz JPNOPLFGEQNKAA-QGZVFWFLSA-N -1 3 408.380 4.210 50 0 HIAAHM CN(Cc1ccco1)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017958408 560731296 /nfs/dbraw/zinc/73/12/96/560731296.db2.gz UCYWIEKEJQEXCL-UHFFFAOYSA-N -1 3 422.865 4.145 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1 ZINC000005690330 560785068 /nfs/dbraw/zinc/78/50/68/560785068.db2.gz HMTXLYAUDVADSQ-CZUORRHYSA-N -1 3 407.923 4.147 50 0 HIAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2cccc(Cl)c2)CC4=O)n1 ZINC000102744345 560823789 /nfs/dbraw/zinc/82/37/89/560823789.db2.gz CLNLDTFFQOMZQZ-AWEZNQCLSA-N -1 3 419.872 4.099 50 0 HIAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)ccc1O ZINC000102745842 560824099 /nfs/dbraw/zinc/82/40/99/560824099.db2.gz RQBSXGWBEFPACG-VOJFVSQTSA-N -1 3 410.455 4.474 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102765745 560825097 /nfs/dbraw/zinc/82/50/97/560825097.db2.gz UABRJPJIQRLWQC-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000006474670 560871486 /nfs/dbraw/zinc/87/14/86/560871486.db2.gz ZGBYJWWAELEUQH-UHFFFAOYSA-N -1 3 409.825 4.072 50 0 HIAAHM CSc1nc(N2[C@H](O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)n[n-]1 ZINC000106937058 560894810 /nfs/dbraw/zinc/89/48/10/560894810.db2.gz VJDNVTCPFXKLIY-DOTOQJQBSA-N -1 3 400.891 4.029 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1C ZINC000046057299 568426196 /nfs/dbraw/zinc/42/61/96/568426196.db2.gz PYVYTXOHILUAAA-MRXNPFEDSA-N -1 3 419.481 4.123 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)c1 ZINC000020058518 568586938 /nfs/dbraw/zinc/58/69/38/568586938.db2.gz RTQARWZCOFVKLT-AKCHCHLHSA-N -1 3 412.452 4.383 50 0 HIAAHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000020888868 568647444 /nfs/dbraw/zinc/64/74/44/568647444.db2.gz ALJIRODGUKLEKC-ZDUSSCGKSA-N -1 3 403.479 4.213 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000230074286 568831385 /nfs/dbraw/zinc/83/13/85/568831385.db2.gz NSWXOHWQFKYLJZ-YTFSRNRJSA-N -1 3 414.461 4.136 50 0 HIAAHM CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000012540177 568847292 /nfs/dbraw/zinc/84/72/92/568847292.db2.gz BKSYZOKSLVRTLV-UHFFFAOYSA-N -1 3 422.510 4.269 50 0 HIAAHM CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556377 568855619 /nfs/dbraw/zinc/85/56/19/568855619.db2.gz LVUPKFCTUZEZCJ-JLTOFOAXSA-N -1 3 402.878 4.190 50 0 HIAAHM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1N1CCCC1=O ZINC000012561080 568858571 /nfs/dbraw/zinc/85/85/71/568858571.db2.gz LEWYDJAQVKHHIR-UHFFFAOYSA-N -1 3 400.544 4.465 50 0 HIAAHM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000030532210 568869974 /nfs/dbraw/zinc/86/99/74/568869974.db2.gz MRUWAEJFBANMAP-UHFFFAOYSA-N -1 3 422.934 4.302 50 0 HIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc(Cl)cc4Cl)cs3)nc2n1 ZINC000003359264 568887419 /nfs/dbraw/zinc/88/74/19/568887419.db2.gz ZCGOVOSURUXJKA-UHFFFAOYSA-N -1 3 419.297 4.424 50 0 HIAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(OC)cc(Br)c2OC)s1 ZINC000012735765 568924890 /nfs/dbraw/zinc/92/48/90/568924890.db2.gz IVSIXFCYMQOAHK-UHFFFAOYSA-N -1 3 414.325 4.474 50 0 HIAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1nc3ccccc3s1)CN(C(C)C)CC2 ZINC000004223571 568952545 /nfs/dbraw/zinc/95/25/45/568952545.db2.gz FHYOYVOOZQBUFS-UHFFFAOYSA-N -1 3 415.540 4.163 50 0 HIAAHM Cc1cc(C(=O)CSc2n[n-]c(COc3ccc(Cl)c(C)c3)n2)c(C)n1C ZINC000006062186 568991078 /nfs/dbraw/zinc/99/10/78/568991078.db2.gz MCMNGRSEBYIBEY-UHFFFAOYSA-N -1 3 404.923 4.276 50 0 HIAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664613 569006488 /nfs/dbraw/zinc/00/64/88/569006488.db2.gz FTSWCOBXPNSEEA-UHFFFAOYSA-N -1 3 421.853 4.289 50 0 HIAAHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557641 569044856 /nfs/dbraw/zinc/04/48/56/569044856.db2.gz PWFRERJVTYBMHX-UHFFFAOYSA-N -1 3 423.585 4.347 50 0 HIAAHM COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000013021832 569051169 /nfs/dbraw/zinc/05/11/69/569051169.db2.gz UXZJLVOXDKFYRV-CQSZACIVSA-N -1 3 420.918 4.444 50 0 HIAAHM Cc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207975 569109835 /nfs/dbraw/zinc/10/98/35/569109835.db2.gz XZQYJPKNGNXHOJ-KRWDZBQOSA-N -1 3 413.587 4.497 50 0 HIAAHM Cc1cccc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)n1 ZINC000006759010 569113103 /nfs/dbraw/zinc/11/31/03/569113103.db2.gz HHFRNMZLXBRJIY-FQEVSTJZSA-N -1 3 414.387 4.143 50 0 HIAAHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCc2ccccc21 ZINC000006788198 569122409 /nfs/dbraw/zinc/12/24/09/569122409.db2.gz HPSYQOVUGPNRFB-LBPRGKRZSA-N -1 3 400.504 4.491 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc(F)c(F)c1 ZINC000065035011 569158573 /nfs/dbraw/zinc/15/85/73/569158573.db2.gz OXLPFVCLYWRGBX-UHFFFAOYSA-N -1 3 421.806 4.008 50 0 HIAAHM CCc1ccc(OCCCSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000006915662 569182137 /nfs/dbraw/zinc/18/21/37/569182137.db2.gz DQSBIDGSFHWBSC-UHFFFAOYSA-N -1 3 406.511 4.208 50 0 HIAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000006935270 569186089 /nfs/dbraw/zinc/18/60/89/569186089.db2.gz YEDOPNCSHNUSBX-CQSZACIVSA-N -1 3 402.491 4.013 50 0 HIAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(C)cc1)N2 ZINC000065298480 569219363 /nfs/dbraw/zinc/21/93/63/569219363.db2.gz JOZDDDSZZASYPQ-FQEVSTJZSA-N -1 3 407.514 4.173 50 0 HIAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c([O-])c12 ZINC000007424036 569238065 /nfs/dbraw/zinc/23/80/65/569238065.db2.gz NGKGJOKORZOIPC-UHFFFAOYSA-N -1 3 412.371 4.293 50 0 HIAAHM COc1ccc(Cl)cc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000027528042 569364138 /nfs/dbraw/zinc/36/41/38/569364138.db2.gz WICMCXCUQGMPBG-UHFFFAOYSA-N -1 3 423.831 4.249 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccn2)cs1 ZINC000008777782 571118061 /nfs/dbraw/zinc/11/80/61/571118061.db2.gz UWRGJOAZECQGEY-LIRRHRJNSA-N -1 3 416.428 4.243 50 0 HIAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc(Cl)c1 ZINC000040115395 571173090 /nfs/dbraw/zinc/17/30/90/571173090.db2.gz RNNSJPXHLGAABM-GFCCVEGCSA-N -1 3 421.881 4.099 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(C)c1 ZINC000008961039 571189496 /nfs/dbraw/zinc/18/94/96/571189496.db2.gz YTIATWUFTBZDTB-UHFFFAOYSA-N -1 3 408.479 4.487 50 0 HIAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C ZINC000008961228 571189744 /nfs/dbraw/zinc/18/97/44/571189744.db2.gz OWARKSYCEPHHRX-UHFFFAOYSA-N -1 3 424.478 4.471 50 0 HIAAHM O=c1[n-]c(SCc2ccccc2OC(F)F)nc2c1cnn2-c1ccccc1 ZINC000009051131 571216290 /nfs/dbraw/zinc/21/62/90/571216290.db2.gz LOVYHYRTWFLFAW-UHFFFAOYSA-N -1 3 400.410 4.415 50 0 HIAAHM O=C([N-]c1ccon1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 ZINC000009101961 571221896 /nfs/dbraw/zinc/22/18/96/571221896.db2.gz KFSYFUAGTHKXJJ-UHFFFAOYSA-N -1 3 410.380 4.029 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)c1 ZINC000245294772 571223093 /nfs/dbraw/zinc/22/30/93/571223093.db2.gz ADWUUUJQYFCWKJ-RISOHXOYSA-N -1 3 412.452 4.383 50 0 HIAAHM CCN1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2OCC(C)(C)C1=O ZINC000009166193 571232739 /nfs/dbraw/zinc/23/27/39/571232739.db2.gz IMRINBNIUPJYIX-UHFFFAOYSA-N -1 3 416.543 4.184 50 0 HIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccn1Cc1cc(C)ccc1C ZINC000009527497 571266296 /nfs/dbraw/zinc/26/62/96/571266296.db2.gz ZBSIWNXCQVVWIT-UHFFFAOYSA-N -1 3 418.946 4.294 50 0 HIAAHM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010292627 571299517 /nfs/dbraw/zinc/29/95/17/571299517.db2.gz AGKWBKXVGREIPJ-UHFFFAOYSA-N -1 3 410.514 4.080 50 0 HIAAHM CCCOc1c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Cl)cc1OC ZINC000040744619 520292290 /nfs/dbraw/zinc/29/22/90/520292290.db2.gz VVIVFOBXSWCIGG-IBGZPJMESA-N -1 3 416.905 4.404 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C ZINC000020554857 524325241 /nfs/dbraw/zinc/32/52/41/524325241.db2.gz SFVPSUGIHFCEGV-UHFFFAOYSA-N -1 3 422.554 4.470 50 0 HIAAHM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)c3cccc1c23 ZINC000000937411 527089175 /nfs/dbraw/zinc/08/91/75/527089175.db2.gz RWEVTHCNWNCWMO-UHFFFAOYSA-N -1 3 407.495 4.197 50 0 HIAAHM CCOC(=O)c1ccc([N-]c2nnc(-c3cc4cc(OC)ccc4oc3=O)s2)cc1 ZINC000000856288 557102838 /nfs/dbraw/zinc/10/28/38/557102838.db2.gz UHMKEBCDBSVRSC-UHFFFAOYSA-N -1 3 423.450 4.240 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1ccc(Br)o1 ZINC000000994109 557136728 /nfs/dbraw/zinc/13/67/28/557136728.db2.gz JFMTUMDPOIXFRF-UHFFFAOYSA-N -1 3 400.250 4.044 50 0 HIAAHM CCOC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C(C)[O-] ZINC000001065449 557165964 /nfs/dbraw/zinc/16/59/64/557165964.db2.gz QNXUOYUGFNCKGN-KRWDZBQOSA-N -1 3 415.902 4.201 50 0 HIAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000001151957 557211658 /nfs/dbraw/zinc/21/16/58/557211658.db2.gz ICGHLBCDLMHWMX-VFZGTOFNSA-N -1 3 413.223 4.400 50 0 HIAAHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000002852299 557405193 /nfs/dbraw/zinc/40/51/93/557405193.db2.gz REAOAFLLKPZRKA-UHFFFAOYSA-N -1 3 424.689 4.243 50 0 HIAAHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1C ZINC000002884260 557420990 /nfs/dbraw/zinc/42/09/90/557420990.db2.gz UFAZQYUWVGVBFI-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM CCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)c(OC)c2)N1 ZINC000004309916 557539072 /nfs/dbraw/zinc/53/90/72/557539072.db2.gz STLDJXSNAWFMML-LJQANCHMSA-N -1 3 416.440 4.056 50 0 HIAAHM COc1cc(CNc2ccc(SC)cc2)cc(I)c1[O-] ZINC000004981195 557620140 /nfs/dbraw/zinc/62/01/40/557620140.db2.gz MVFWPZYDRDJAAC-UHFFFAOYSA-N -1 3 401.269 4.339 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000004880471 557609225 /nfs/dbraw/zinc/60/92/25/557609225.db2.gz CQALKGCINYKVAD-UHFFFAOYSA-N -1 3 416.430 4.482 50 0 HIAAHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)nc1 ZINC000005269524 557642737 /nfs/dbraw/zinc/64/27/37/557642737.db2.gz XDFVOECRYCSYOR-UHFFFAOYSA-N -1 3 412.873 4.311 50 0 HIAAHM O=C([N-]c1nnc(C2CC2)s1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002781674 557758454 /nfs/dbraw/zinc/75/84/54/557758454.db2.gz HUAHDCLTNARHGT-UHFFFAOYSA-N -1 3 413.352 4.396 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c(C)c1 ZINC000008399081 557786530 /nfs/dbraw/zinc/78/65/30/557786530.db2.gz GVKKTTPXYQBLGN-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000008741699 557803840 /nfs/dbraw/zinc/80/38/40/557803840.db2.gz OQMSVMBTGWOPNJ-NJDAHSKKSA-N -1 3 420.490 4.116 50 0 HIAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 ZINC000004354128 558439732 /nfs/dbraw/zinc/43/97/32/558439732.db2.gz QUEJUMBITBWAKL-UHFFFAOYSA-N -1 3 404.378 4.302 50 0 HIAAHM Cc1cccc(Oc2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2)c1 ZINC000021663824 558445236 /nfs/dbraw/zinc/44/52/36/558445236.db2.gz XZFZDBPKUAYHNG-UHFFFAOYSA-N -1 3 421.478 4.316 50 0 HIAAHM Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ncccc4[O-])cc3)ccc12 ZINC000022261503 558474908 /nfs/dbraw/zinc/47/49/08/558474908.db2.gz YWBSLPULUMTRKW-UHFFFAOYSA-N -1 3 402.406 4.033 50 0 HIAAHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000024971591 558623369 /nfs/dbraw/zinc/62/33/69/558623369.db2.gz XQDCTJZCRWXTDB-UHFFFAOYSA-N -1 3 413.481 4.108 50 0 HIAAHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000024971591 558623371 /nfs/dbraw/zinc/62/33/71/558623371.db2.gz XQDCTJZCRWXTDB-UHFFFAOYSA-N -1 3 413.481 4.108 50 0 HIAAHM C[C@@H](SCC(=O)N1CCCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014246702 558647776 /nfs/dbraw/zinc/64/77/76/558647776.db2.gz WEFLPWIUCXTUAL-GFCCVEGCSA-N -1 3 403.529 4.051 50 0 HIAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000027020464 558668525 /nfs/dbraw/zinc/66/85/25/558668525.db2.gz KVKVUGPPNZNELY-BBTUJRGHSA-N -1 3 420.431 4.222 50 0 HIAAHM COc1cc(C=Cc2cc(=O)c3ccccc3[nH]2)cc(I)c1[O-] ZINC000015016949 558702711 /nfs/dbraw/zinc/70/27/11/558702711.db2.gz YMQCUNXBUQIVDA-VOTSOKGWSA-N -1 3 419.218 4.017 50 0 HIAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033115374 558761628 /nfs/dbraw/zinc/76/16/28/558761628.db2.gz MZUISUGFAXGRBB-GOSISDBHSA-N -1 3 414.571 4.359 50 0 HIAAHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1 ZINC000057990992 558892664 /nfs/dbraw/zinc/89/26/64/558892664.db2.gz ZDPAEMPOVATDGF-UHFFFAOYSA-N -1 3 402.516 4.123 50 0 HIAAHM CCc1ccc([C@@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C(C)C)cc1 ZINC000058005036 558894445 /nfs/dbraw/zinc/89/44/45/558894445.db2.gz NXXYHCNTLFCFCN-QHCPKHFHSA-N -1 3 418.541 4.149 50 0 HIAAHM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2n[n-]nc2c1 ZINC000011582926 559112165 /nfs/dbraw/zinc/11/21/65/559112165.db2.gz ULPKTKVEDKMYLH-UHFFFAOYSA-N -1 3 403.389 4.276 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208381 559131859 /nfs/dbraw/zinc/13/18/59/559131859.db2.gz XOGPKSZIPVZNBU-KURKYZTESA-N -1 3 405.281 4.472 50 0 HIAAHM O=C(COC(=O)c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000061526676 559248923 /nfs/dbraw/zinc/24/89/23/559248923.db2.gz WTJAYGXQDZSXRP-NSHDSACASA-N -1 3 415.795 4.157 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000005575273 560623509 /nfs/dbraw/zinc/62/35/09/560623509.db2.gz NBHWJPUIBACJGY-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000017861045 560729754 /nfs/dbraw/zinc/72/97/54/560729754.db2.gz UABRJPJIQRLWQC-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1Br ZINC000007016355 560733107 /nfs/dbraw/zinc/73/31/07/560733107.db2.gz WCHKEDFBTIQWRW-UHFFFAOYSA-N -1 3 410.120 4.447 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000017991868 560733172 /nfs/dbraw/zinc/73/31/72/560733172.db2.gz NBDBZMFKTUEVEG-QHAWAJNXSA-N -1 3 420.490 4.116 50 0 HIAAHM C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)C1 ZINC000018068165 560774556 /nfs/dbraw/zinc/77/45/56/560774556.db2.gz VDDKVRWFOAQQJH-CALCHBBNSA-N -1 3 422.554 4.237 50 0 HIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000102693185 560819907 /nfs/dbraw/zinc/81/99/07/560819907.db2.gz GBDLERWZMUYQPR-HWBMXIPRSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000102708462 560820798 /nfs/dbraw/zinc/82/07/98/560820798.db2.gz LKAMQFQKVLEIFI-YTFSRNRJSA-N -1 3 414.461 4.060 50 0 HIAAHM COc1cccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c1OC ZINC000102836559 560829809 /nfs/dbraw/zinc/82/98/09/560829809.db2.gz DQDIWWHIFUIDGN-ADLMAVQZSA-N -1 3 408.414 4.309 50 0 HIAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 ZINC000012226435 560894739 /nfs/dbraw/zinc/89/47/39/560894739.db2.gz TWGCMAJVGFWEPB-UHFFFAOYSA-N -1 3 412.515 4.425 50 0 HIAAHM COc1ccc(N2C=C[C@@H](c3ccccc3)C(=C([O-])c3ccccc3)S2(=O)=O)cc1 ZINC000000626894 568455956 /nfs/dbraw/zinc/45/59/56/568455956.db2.gz WEJPKYKWWNUQTG-LADGPHEKSA-N -1 3 419.502 4.394 50 0 HIAAHM O=C(c1c[n-]c2ccc(Cl)cc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218251839 568476853 /nfs/dbraw/zinc/47/68/53/568476853.db2.gz CTJUHCNPJVKHJX-UHFFFAOYSA-N -1 3 417.292 4.371 50 0 HIAAHM O=C(c1cnc2ccc(Cl)cc2c1[O-])N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218251839 568476854 /nfs/dbraw/zinc/47/68/54/568476854.db2.gz CTJUHCNPJVKHJX-UHFFFAOYSA-N -1 3 417.292 4.371 50 0 HIAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000229988161 568716247 /nfs/dbraw/zinc/71/62/47/568716247.db2.gz FVYSIYMSOZLWHG-BHDDXSALSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1ccc2nc([N-]C(=O)c3cc4c(nc5c(C)cccn5c4=O)s3)sc2c1 ZINC000096347309 568737818 /nfs/dbraw/zinc/73/78/18/568737818.db2.gz CCKWCZJRRRVXGA-UHFFFAOYSA-N -1 3 406.492 4.388 50 0 HIAAHM Cn1cccc1[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000057293291 568826211 /nfs/dbraw/zinc/82/62/11/568826211.db2.gz XLXUBFOMEFPXNN-SFHVURJKSA-N -1 3 408.502 4.466 50 0 HIAAHM CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556378 568855649 /nfs/dbraw/zinc/85/56/49/568855649.db2.gz LVUPKFCTUZEZCJ-VLIAUNLRSA-N -1 3 402.878 4.190 50 0 HIAAHM O=c1nc(CNc2ccc3c(c2)OCCCO3)[n-]c2sc(-c3ccccc3)cc21 ZINC000012565029 568859840 /nfs/dbraw/zinc/85/98/40/568859840.db2.gz XIISSBOWAUZQTD-UHFFFAOYSA-N -1 3 405.479 4.425 50 0 HIAAHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000004173711 568921995 /nfs/dbraw/zinc/92/19/95/568921995.db2.gz KTALGZZLSWPJOY-HNNXBMFYSA-N -1 3 407.230 4.338 50 0 HIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 ZINC000031397363 568925285 /nfs/dbraw/zinc/92/52/85/568925285.db2.gz MWQXDEZCYHLXEC-UHFFFAOYSA-N -1 3 414.458 4.029 50 0 HIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c1 ZINC000015671321 568961809 /nfs/dbraw/zinc/96/18/09/568961809.db2.gz MNMKQOBKSRYBRX-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557115 569044724 /nfs/dbraw/zinc/04/47/24/569044724.db2.gz OWXGSKFYGMKMSS-UHFFFAOYSA-N -1 3 423.947 4.240 50 0 HIAAHM C[C@@H]1CCC[C@H](NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)[C@@H]1C ZINC000006409534 569047113 /nfs/dbraw/zinc/04/71/13/569047113.db2.gz XVWUVUSFISVCDM-IOASZLSFSA-N -1 3 408.955 4.070 50 0 HIAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012986794 569047477 /nfs/dbraw/zinc/04/74/77/569047477.db2.gz UOFFNGJFORMXID-UHFFFAOYSA-N -1 3 402.785 4.468 50 0 HIAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012986794 569047478 /nfs/dbraw/zinc/04/74/78/569047478.db2.gz UOFFNGJFORMXID-UHFFFAOYSA-N -1 3 402.785 4.468 50 0 HIAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012986794 569047476 /nfs/dbraw/zinc/04/74/76/569047476.db2.gz UOFFNGJFORMXID-UHFFFAOYSA-N -1 3 402.785 4.468 50 0 HIAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000136159993 569053640 /nfs/dbraw/zinc/05/36/40/569053640.db2.gz FCFTXJGUUHNPLC-FDFHNCONSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1ccc(-c2csc3c2[n-]c(N2CCN(Cc4ccccc4)CC2)nc3=O)cc1 ZINC000064611574 569074381 /nfs/dbraw/zinc/07/43/81/569074381.db2.gz PWPURNZRBWYOPE-UHFFFAOYSA-N -1 3 416.550 4.282 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)n1 ZINC000064814502 569100488 /nfs/dbraw/zinc/10/04/88/569100488.db2.gz RVQCNDBARJKICZ-UHFFFAOYSA-N -1 3 419.457 4.039 50 0 HIAAHM Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)c1 ZINC000006919333 569181664 /nfs/dbraw/zinc/18/16/64/569181664.db2.gz PNAWIWSXJCXUEX-UHFFFAOYSA-N -1 3 416.449 4.004 50 0 HIAAHM Cc1ccc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1C ZINC000006915685 569182280 /nfs/dbraw/zinc/18/22/80/569182280.db2.gz ZVFZIXBWHHEARA-UHFFFAOYSA-N -1 3 406.511 4.181 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Nc3cccc(SC)c3)nc(=O)c2c1C ZINC000007002612 569198929 /nfs/dbraw/zinc/19/89/29/569198929.db2.gz SORBYRTZXKIOPF-LLVKDONJSA-N -1 3 403.529 4.365 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000065298619 569219338 /nfs/dbraw/zinc/21/93/38/569219338.db2.gz AKQAXRWQNODFGA-JOCHJYFZSA-N -1 3 405.542 4.378 50 0 HIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCCc1ccc(F)cc1 ZINC000007159315 569226079 /nfs/dbraw/zinc/22/60/79/569226079.db2.gz RFIVIJTXZMCETF-UHFFFAOYSA-N -1 3 406.483 4.011 50 0 HIAAHM Cc1c([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n[nH]c1-c1ccccc1 ZINC000170609273 569244959 /nfs/dbraw/zinc/24/49/59/569244959.db2.gz OAVNENWNXJRYNN-UHFFFAOYSA-N -1 3 411.405 4.226 50 0 HIAAHM Cc1cc2n[nH]cc2cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000170611490 569245656 /nfs/dbraw/zinc/24/56/56/569245656.db2.gz DLEOCDNYJVSLPP-UHFFFAOYSA-N -1 3 424.457 4.064 50 0 HIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1 ZINC000017026541 569271964 /nfs/dbraw/zinc/27/19/64/569271964.db2.gz MKZOITYDRUPZSS-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2CCC1=O ZINC000013011081 569407324 /nfs/dbraw/zinc/40/73/24/569407324.db2.gz GEYIZWUTWLOFLR-UHFFFAOYSA-N -1 3 400.544 4.474 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccn2)cs1 ZINC000008777780 571118162 /nfs/dbraw/zinc/11/81/62/571118162.db2.gz UWRGJOAZECQGEY-KUHUBIRLSA-N -1 3 416.428 4.243 50 0 HIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840828 571124171 /nfs/dbraw/zinc/12/41/71/571124171.db2.gz WOVAHZSXCVKGGM-UHFFFAOYSA-N -1 3 400.544 4.375 50 0 HIAAHM CCOC(=O)c1sc(N)c([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c1C ZINC000009453217 571260145 /nfs/dbraw/zinc/26/01/45/571260145.db2.gz HRPHOJOLEDJJIK-INIZCTEOSA-N -1 3 416.446 4.223 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2)n1 ZINC000009572443 571269022 /nfs/dbraw/zinc/26/90/22/571269022.db2.gz SVAQRVYCIHVHNL-UHFFFAOYSA-N -1 3 411.531 4.324 50 0 HIAAHM CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000009586107 571271437 /nfs/dbraw/zinc/27/14/37/571271437.db2.gz IJSQMTRJWZBMGU-LBPRGKRZSA-N -1 3 400.529 4.491 50 0 HIAAHM CC[C@]1(c2ccc(Cl)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009666591 571277992 /nfs/dbraw/zinc/27/79/92/571277992.db2.gz MCGVYTJDXSGRDX-GOSISDBHSA-N -1 3 418.749 4.393 50 0 HIAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc2ccccc2c1 ZINC000009726641 571282440 /nfs/dbraw/zinc/28/24/40/571282440.db2.gz VNUVVKMDEBEAGK-UHFFFAOYSA-N -1 3 422.428 4.166 50 0 HIAAHM Cc1ccc(Cl)cc1N1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000006507611 132311280 /nfs/dbraw/zinc/31/12/80/132311280.db2.gz CKKXEBUMGUQSAN-UHFFFAOYSA-N -1 3 405.980 4.411 50 0 HIAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 ZINC000035588209 132802632 /nfs/dbraw/zinc/80/26/32/132802632.db2.gz VNKGDOINROZOLE-UHFFFAOYSA-N -1 3 416.587 4.429 50 0 HIAAHM COC(=O)N=c1s[n-]c(C)c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000032796527 523478680 /nfs/dbraw/zinc/47/86/80/523478680.db2.gz YFAUOZDSAUACSJ-UHFFFAOYSA-N -1 3 405.863 4.473 50 0 HIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccccc3Cl)cc2)N1 ZINC000000652786 557039647 /nfs/dbraw/zinc/03/96/47/557039647.db2.gz SBFSHXAENCLFDD-GOSISDBHSA-N -1 3 412.795 4.392 50 0 HIAAHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000000673971 557051092 /nfs/dbraw/zinc/05/10/92/557051092.db2.gz CSCFSULWBCNXQB-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(C)CC2)cc1OC ZINC000022626200 557080749 /nfs/dbraw/zinc/08/07/49/557080749.db2.gz KVRXRFWNYXMWOO-GOSISDBHSA-N -1 3 416.547 4.033 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000845867 557099634 /nfs/dbraw/zinc/09/96/34/557099634.db2.gz YCQQYSNWXPLUGA-SWLSCSKDSA-N -1 3 405.214 4.092 50 0 HIAAHM O=C(c1ccccc1Br)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000001208724 557242493 /nfs/dbraw/zinc/24/24/93/557242493.db2.gz RVMREZQVTZGKQN-INIZCTEOSA-N -1 3 419.241 4.482 50 0 HIAAHM O=S(=O)([N-]CCOC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000004577929 557569627 /nfs/dbraw/zinc/56/96/27/557569627.db2.gz XEAYVUSFXJLYQF-UHFFFAOYSA-N -1 3 404.359 4.257 50 0 HIAAHM CCOc1ccc(-c2cc([N-]C(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1 ZINC000006805388 557722779 /nfs/dbraw/zinc/72/27/79/557722779.db2.gz HEZXLPQRRRBXHM-UHFFFAOYSA-N -1 3 416.437 4.135 50 0 HIAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1)C(F)(F)F ZINC000008637078 557797970 /nfs/dbraw/zinc/79/79/70/557797970.db2.gz QRYCMMPLBPRJLR-QGZVFWFLSA-N -1 3 416.783 4.215 50 0 HIAAHM CCn1c(SCc2nc(-c3ccccc3Cl)oc2C)nc2c1nc[n-]c2=O ZINC000020214912 558348036 /nfs/dbraw/zinc/34/80/36/558348036.db2.gz IGCYLLMYJWMCLD-UHFFFAOYSA-N -1 3 401.879 4.049 50 0 HIAAHM Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)[N-]c3nc[nH]n3)cc12 ZINC000023143275 558537948 /nfs/dbraw/zinc/53/79/48/558537948.db2.gz CKNZKQOWHMLAJK-UHFFFAOYSA-N -1 3 407.286 4.132 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000013619179 558550168 /nfs/dbraw/zinc/55/01/68/558550168.db2.gz KLLBZQNNBYKXME-NJDAHSKKSA-N -1 3 404.853 4.391 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000033115359 558761634 /nfs/dbraw/zinc/76/16/34/558761634.db2.gz NXGJBRQOOZFIFP-UHFFFAOYSA-N -1 3 420.534 4.144 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1C ZINC000033115542 558761789 /nfs/dbraw/zinc/76/17/89/558761789.db2.gz WENHAKXDQBWPBE-UHFFFAOYSA-N -1 3 414.571 4.216 50 0 HIAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 ZINC000004594178 558832016 /nfs/dbraw/zinc/83/20/16/558832016.db2.gz YVOSWIIKWIJXFF-MRXNPFEDSA-N -1 3 416.326 4.275 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c(C)c1 ZINC000033078170 558867695 /nfs/dbraw/zinc/86/76/95/558867695.db2.gz BAAPDENVQSROKB-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM Cc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000004660960 558873639 /nfs/dbraw/zinc/87/36/39/558873639.db2.gz KANQQXMTIBZGJS-UHFFFAOYSA-N -1 3 410.886 4.046 50 0 HIAAHM Cc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000004660960 558873641 /nfs/dbraw/zinc/87/36/41/558873641.db2.gz KANQQXMTIBZGJS-UHFFFAOYSA-N -1 3 410.886 4.046 50 0 HIAAHM COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)c1[O-] ZINC000033697181 559229777 /nfs/dbraw/zinc/22/97/77/559229777.db2.gz LYTDNZLZUASZQO-LCYFTJDESA-N -1 3 406.257 4.404 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000137881121 559281142 /nfs/dbraw/zinc/28/11/42/559281142.db2.gz TYJWFNFJWIQGNP-PWRODBHTSA-N -1 3 406.388 4.016 50 0 HIAAHM CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005644996 560636175 /nfs/dbraw/zinc/63/61/75/560636175.db2.gz ZVGAGVCLDFPYAA-RDTXWAMCSA-N -1 3 417.531 4.129 50 0 HIAAHM C[C@@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000008489894 560637435 /nfs/dbraw/zinc/63/74/35/560637435.db2.gz CQYNXRNZYZLZQM-JSFDKUKPSA-N -1 3 402.589 4.346 50 0 HIAAHM Cc1ccc(C)c(-n2c(O)c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000017245831 560705466 /nfs/dbraw/zinc/70/54/66/560705466.db2.gz XRSGGQWLJFXQJB-HXUWFJFHSA-N -1 3 418.522 4.346 50 0 HIAAHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCCCCC1 ZINC000017321187 560708827 /nfs/dbraw/zinc/70/88/27/560708827.db2.gz AXBAXKBFHAMIKZ-UHFFFAOYSA-N -1 3 410.898 4.296 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000017749850 560725427 /nfs/dbraw/zinc/72/54/27/560725427.db2.gz GUSRRSRXMWIWQD-TZRRMPRUSA-N -1 3 421.456 4.286 50 0 HIAAHM CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)ccc21 ZINC000011660593 560773222 /nfs/dbraw/zinc/77/32/22/560773222.db2.gz DVVVYGAUAMOPTM-UHFFFAOYSA-N -1 3 407.495 4.438 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1C ZINC000102663065 560819324 /nfs/dbraw/zinc/81/93/24/560819324.db2.gz AOEICVJWOJBSDO-YTFSRNRJSA-N -1 3 416.452 4.494 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000102709939 560820918 /nfs/dbraw/zinc/82/09/18/560820918.db2.gz FSDUJCWLMIKSOR-PCCBWWKXSA-N -1 3 420.852 4.097 50 0 HIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c(OC)c1 ZINC000102749925 560824482 /nfs/dbraw/zinc/82/44/82/560824482.db2.gz LFVLZNCZQBASAJ-JEOXALJRSA-N -1 3 408.414 4.309 50 0 HIAAHM COC(=O)c1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc1 ZINC000102737148 560824538 /nfs/dbraw/zinc/82/45/38/560824538.db2.gz HBIAIMRWUCWARS-ACJLOTCBSA-N -1 3 406.398 4.078 50 0 HIAAHM C[C@@H]1CCC[C@H](NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)[C@H]1C ZINC000107552792 560896729 /nfs/dbraw/zinc/89/67/29/560896729.db2.gz XVWUVUSFISVCDM-WWGRRREGSA-N -1 3 408.955 4.070 50 0 HIAAHM CCCCc1nc(-n2cccc2)sc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC000049548817 568451677 /nfs/dbraw/zinc/45/16/77/568451677.db2.gz OVAQHPZACGDCFF-CYBMUJFWSA-N -1 3 403.533 4.232 50 0 HIAAHM Cc1cc(C)c(OCC(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)c(C)c1 ZINC000049997538 568453753 /nfs/dbraw/zinc/45/37/53/568453753.db2.gz GZENOVQNLPSYSM-FQEVSTJZSA-N -1 3 412.452 4.410 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCc3cccc(C)c3)c(Cl)c2)S1 ZINC000020895955 568649113 /nfs/dbraw/zinc/64/91/13/568649113.db2.gz UQKZSWHNEBGUMZ-IBGZPJMESA-N -1 3 417.918 4.228 50 0 HIAAHM Cc1nnc(Cc2nc(=O)c3c(-c4ccc(-c5ccccc5)cc4)csc3[n-]2)n1C ZINC000225617839 568657711 /nfs/dbraw/zinc/65/77/11/568657711.db2.gz SZWAOWZFSIZYBD-UHFFFAOYSA-N -1 3 413.506 4.346 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000229968940 568716257 /nfs/dbraw/zinc/71/62/57/568716257.db2.gz JCPFPKCJPGQIBH-XUVXKRRUSA-N -1 3 408.841 4.293 50 0 HIAAHM Cc1ccc(C)c(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)c1 ZINC000096399473 568747966 /nfs/dbraw/zinc/74/79/66/568747966.db2.gz FTQXZLRKPIHMRV-UHFFFAOYSA-N -1 3 421.569 4.015 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(-c3cccnc3)c2)c(Cl)cc1Cl ZINC000225641575 568777944 /nfs/dbraw/zinc/77/79/44/568777944.db2.gz FFCNJMWYAYEFOK-UHFFFAOYSA-N -1 3 408.310 4.237 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C(F)(F)F)n3)cc2)cc1 ZINC000012536251 568845396 /nfs/dbraw/zinc/84/53/96/568845396.db2.gz IJQLXFVXBYIICW-UHFFFAOYSA-N -1 3 409.389 4.397 50 0 HIAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCCC[C@@H]3c3cccnc3)c(=O)oc12 ZINC000263584798 568877726 /nfs/dbraw/zinc/87/77/26/568877726.db2.gz ATHXDHQJNBFAHP-HXUWFJFHSA-N -1 3 406.482 4.197 50 0 HIAAHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000031337082 568924477 /nfs/dbraw/zinc/92/44/77/568924477.db2.gz IRTSPWOSDJMWSK-NSHDSACASA-N -1 3 401.315 4.198 50 0 HIAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012746516 568932647 /nfs/dbraw/zinc/93/26/47/568932647.db2.gz UBKASJQNFDDJGL-AWEZNQCLSA-N -1 3 401.509 4.241 50 0 HIAAHM O=C(Cc1ccc(F)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012770438 568951446 /nfs/dbraw/zinc/95/14/46/568951446.db2.gz VLEASDRFJCSODI-UHFFFAOYSA-N -1 3 418.877 4.461 50 0 HIAAHM O=c1nc(CSc2nnc(C3CC3)n2C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000012778691 568956302 /nfs/dbraw/zinc/95/63/02/568956302.db2.gz TXADDWCHNUGMPS-UHFFFAOYSA-N -1 3 411.512 4.341 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000015776993 568999566 /nfs/dbraw/zinc/99/95/66/568999566.db2.gz KOBDPRXISGHEFD-UHFFFAOYSA-N -1 3 420.509 4.487 50 0 HIAAHM COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3[O-])C2)c2ccccc12 ZINC000012854162 569010616 /nfs/dbraw/zinc/01/06/16/569010616.db2.gz AYFYDSNPCHIGHG-INIZCTEOSA-N -1 3 404.466 4.045 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870512 569017300 /nfs/dbraw/zinc/01/73/00/569017300.db2.gz LKJNMKLVNGXGQI-UHFFFAOYSA-N -1 3 405.523 4.468 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c(Br)c1 ZINC000012916989 569022403 /nfs/dbraw/zinc/02/24/03/569022403.db2.gz QTOKGZWRYJLWRV-CMPLNLGQSA-N -1 3 400.260 4.157 50 0 HIAAHM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012941314 569028663 /nfs/dbraw/zinc/02/86/63/569028663.db2.gz PRIRGZWTJZLFJP-HNNXBMFYSA-N -1 3 415.921 4.032 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1NC(C)=O ZINC000006316092 569040323 /nfs/dbraw/zinc/04/03/23/569040323.db2.gz AUYMWPKHOWVCIW-UHFFFAOYSA-N -1 3 412.467 4.247 50 0 HIAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)c1cncn1-c1ccccc1 ZINC000006647172 569079443 /nfs/dbraw/zinc/07/94/43/569079443.db2.gz MKWWOFUYLMFRNY-UHFFFAOYSA-N -1 3 410.890 4.188 50 0 HIAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)c1cncn1-c1ccccc1 ZINC000006647172 569079445 /nfs/dbraw/zinc/07/94/45/569079445.db2.gz MKWWOFUYLMFRNY-UHFFFAOYSA-N -1 3 410.890 4.188 50 0 HIAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)c1cncn1-c1ccccc1 ZINC000006647172 569079446 /nfs/dbraw/zinc/07/94/46/569079446.db2.gz MKWWOFUYLMFRNY-UHFFFAOYSA-N -1 3 410.890 4.188 50 0 HIAAHM Cc1cccc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)n1 ZINC000006759603 569113090 /nfs/dbraw/zinc/11/30/90/569113090.db2.gz LVUHTOYGJIQEGB-FQEVSTJZSA-N -1 3 402.420 4.292 50 0 HIAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920403 569121115 /nfs/dbraw/zinc/12/11/15/569121115.db2.gz YXLXKHJGJKKOEO-UHFFFAOYSA-N -1 3 409.920 4.198 50 0 HIAAHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920286 569121183 /nfs/dbraw/zinc/12/11/83/569121183.db2.gz UBXIVGRCQBACBV-HNNXBMFYSA-N -1 3 401.513 4.031 50 0 HIAAHM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc21 ZINC000064952068 569132583 /nfs/dbraw/zinc/13/25/83/569132583.db2.gz BOWNRZFIACZKGG-UHFFFAOYSA-N -1 3 404.557 4.261 50 0 HIAAHM CCSc1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000006810476 569134397 /nfs/dbraw/zinc/13/43/97/569134397.db2.gz UBMWKMOLEXSAAR-UHFFFAOYSA-N -1 3 411.936 4.221 50 0 HIAAHM CC(C)c1cc2c(nc(CSCC(=O)Nc3cc(Cl)ccc3[O-])[nH]c2=O)s1 ZINC000036359191 569150508 /nfs/dbraw/zinc/15/05/08/569150508.db2.gz PKEYMIQFUGSNBG-UHFFFAOYSA-N -1 3 423.947 4.339 50 0 HIAAHM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000006905926 569178159 /nfs/dbraw/zinc/17/81/59/569178159.db2.gz VZGQLACXVDYPNX-UHFFFAOYSA-N -1 3 412.442 4.081 50 0 HIAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000006935265 569186068 /nfs/dbraw/zinc/18/60/68/569186068.db2.gz YEDOPNCSHNUSBX-AWEZNQCLSA-N -1 3 402.491 4.013 50 0 HIAAHM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1nnc2ccccc2c1[O-])C1CC1 ZINC000170624398 569249501 /nfs/dbraw/zinc/24/95/01/569249501.db2.gz NBEYVOMADSVNOB-LBPRGKRZSA-N -1 3 401.388 4.308 50 0 HIAAHM Cc1cc2occ(CC(=O)NCCCNC(=O)c3ccc([O-])cc3)c2cc1C(C)C ZINC000089608995 569261207 /nfs/dbraw/zinc/26/12/07/569261207.db2.gz VBIKQSCQSGZTSQ-UHFFFAOYSA-N -1 3 408.498 4.049 50 0 HIAAHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000037384067 569295136 /nfs/dbraw/zinc/29/51/36/569295136.db2.gz GDTDWXKQXDCZBW-BXKDBHETSA-N -1 3 411.159 4.069 50 0 HIAAHM O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc([O-])c(CCCl)c1 ZINC000012887978 569385237 /nfs/dbraw/zinc/38/52/37/569385237.db2.gz VBMNLGWARJXOEP-SOFGYWHQSA-N -1 3 422.912 4.454 50 0 HIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(F)c(Cl)c1 ZINC000067341460 571081105 /nfs/dbraw/zinc/08/11/05/571081105.db2.gz NUPPOOXQESJAQL-UHFFFAOYSA-N -1 3 420.882 4.201 50 0 HIAAHM CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000040115406 571172980 /nfs/dbraw/zinc/17/29/80/571172980.db2.gz NFXNUGPUBOLPGC-AWEZNQCLSA-N -1 3 415.490 4.008 50 0 HIAAHM CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(C)cc1 ZINC000040115413 571173145 /nfs/dbraw/zinc/17/31/45/571173145.db2.gz MMZALAXOLYDCHA-SFHVURJKSA-N -1 3 415.490 4.144 50 0 HIAAHM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc1O2 ZINC000008961459 571189735 /nfs/dbraw/zinc/18/97/35/571189735.db2.gz AJJIHJKUNNMATA-UHFFFAOYSA-N -1 3 412.442 4.317 50 0 HIAAHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009491354 571262729 /nfs/dbraw/zinc/26/27/29/571262729.db2.gz ITFIERCXAAZVSZ-JTQLQIEISA-N -1 3 418.475 4.269 50 0 HIAAHM O=c1nc(CN2CCN(c3ccccc3)CC2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000007900809 132326167 /nfs/dbraw/zinc/32/61/67/132326167.db2.gz LASLHAPTALMYOS-UHFFFAOYSA-N -1 3 420.513 4.113 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1Cl)c1ccc(Br)s1 ZINC000000640101 557031952 /nfs/dbraw/zinc/03/19/52/557031952.db2.gz AGFBVQVGYXVRBL-UHFFFAOYSA-N -1 3 401.134 4.296 50 0 HIAAHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000000814838 557089260 /nfs/dbraw/zinc/08/92/60/557089260.db2.gz UCXWQPCAFUPUMK-AWEZNQCLSA-N -1 3 413.630 4.079 50 0 HIAAHM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000001112038 557184338 /nfs/dbraw/zinc/18/43/38/557184338.db2.gz VCJXHRLIVHJLJR-BOPFTXTBSA-N -1 3 419.886 4.478 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001166558 557221256 /nfs/dbraw/zinc/22/12/56/557221256.db2.gz OSEPQDDBZUIQGX-UHFFFAOYSA-N -1 3 416.886 4.402 50 0 HIAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1C ZINC000002886348 557422361 /nfs/dbraw/zinc/42/23/61/557422361.db2.gz IAHDLYUNCDEYFA-UHFFFAOYSA-N -1 3 415.296 4.326 50 0 HIAAHM CCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002905405 557425395 /nfs/dbraw/zinc/42/53/95/557425395.db2.gz VNDWWDPDDDLXMF-CYBMUJFWSA-N -1 3 412.770 4.071 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138035 557450320 /nfs/dbraw/zinc/45/03/20/557450320.db2.gz JMBODTVPRCEFMB-KRWDZBQOSA-N -1 3 400.784 4.004 50 0 HIAAHM COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc([O-])ccc2[C@@H]4c2ccco2)cc1 ZINC000005346106 557646110 /nfs/dbraw/zinc/64/61/10/557646110.db2.gz LHJDZXVOCNSNBF-LJQANCHMSA-N -1 3 412.405 4.384 50 0 HIAAHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc(COc2ccccc2Cl)o1 ZINC000002796332 557765431 /nfs/dbraw/zinc/76/54/31/557765431.db2.gz LVESZWARVYHEIW-UHFFFAOYSA-N -1 3 408.845 4.404 50 0 HIAAHM Fc1ccccc1-n1c(Cn2c3ccccc3nc2-c2ccccn2)n[n-]c1=S ZINC000008740599 557803742 /nfs/dbraw/zinc/80/37/42/557803742.db2.gz LMACVGVKMMNEFQ-UHFFFAOYSA-N -1 3 402.458 4.155 50 0 HIAAHM O=c1nc(CNc2ccccc2)[n-]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926501 558307857 /nfs/dbraw/zinc/30/78/57/558307857.db2.gz WSNRTNJFTHVHEE-UHFFFAOYSA-N -1 3 402.523 4.155 50 0 HIAAHM O=S(=O)([N-]CCc1csc(-c2ccncc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000019942557 558314115 /nfs/dbraw/zinc/31/41/15/558314115.db2.gz HSWRYUVPADTUFG-UHFFFAOYSA-N -1 3 414.339 4.033 50 0 HIAAHM CCOc1ccccc1C(=O)NC([N-]c1ccccn1)(C(F)(F)F)C(F)(F)F ZINC000020189992 558344379 /nfs/dbraw/zinc/34/43/79/558344379.db2.gz LDDCNCJMTZURJK-UHFFFAOYSA-N -1 3 407.314 4.143 50 0 HIAAHM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000022195182 558466109 /nfs/dbraw/zinc/46/61/09/558466109.db2.gz IJSDYYOERWENKK-GFCCVEGCSA-N -1 3 406.722 4.069 50 0 HIAAHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000012997352 558499028 /nfs/dbraw/zinc/49/90/28/558499028.db2.gz ONWPJAYNGUTVGJ-UHFFFAOYSA-N -1 3 424.353 4.334 50 0 HIAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027020452 558668448 /nfs/dbraw/zinc/66/84/48/558668448.db2.gz KVKVUGPPNZNELY-WFXMLNOXSA-N -1 3 420.431 4.222 50 0 HIAAHM O=S(=O)([N-]CCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccs1 ZINC000011024817 558683992 /nfs/dbraw/zinc/68/39/92/558683992.db2.gz IVAHVXZLUWRPBV-UHFFFAOYSA-N -1 3 418.487 4.411 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000015869611 558760325 /nfs/dbraw/zinc/76/03/25/558760325.db2.gz NNMIZVGYVDORMV-UHFFFAOYSA-N -1 3 400.544 4.052 50 0 HIAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033115372 558761506 /nfs/dbraw/zinc/76/15/06/558761506.db2.gz IGLXLCHXHNQSPE-QGZVFWFLSA-N -1 3 400.544 4.051 50 0 HIAAHM CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000033171048 558899965 /nfs/dbraw/zinc/89/99/65/558899965.db2.gz DTVZJUNQRBOLIU-JYRVWZFOSA-N -1 3 411.483 4.221 50 0 HIAAHM C[C@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004693732 558903940 /nfs/dbraw/zinc/90/39/40/558903940.db2.gz GBTGNQFSCNVAKQ-YZUZCNPQSA-N -1 3 402.425 4.267 50 0 HIAAHM Cc1ccc(-c2cc([N-]C(=O)CN(Cc3cccs3)C[C@H]3CCCO3)on2)cc1 ZINC000058176665 558909717 /nfs/dbraw/zinc/90/97/17/558909717.db2.gz ALBURCTWJDDRRC-GOSISDBHSA-N -1 3 411.527 4.331 50 0 HIAAHM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000058358196 558921986 /nfs/dbraw/zinc/92/19/86/558921986.db2.gz XJNDFISWWDMOPD-UHFFFAOYSA-N -1 3 404.385 4.125 50 0 HIAAHM O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1c([O-])cccc1O ZINC000067654501 558990787 /nfs/dbraw/zinc/99/07/87/558990787.db2.gz IAHLFGVDBVAKEG-UHFFFAOYSA-N -1 3 404.344 4.234 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1NC(=O)c1ccccc1F ZINC000004742627 559044655 /nfs/dbraw/zinc/04/46/55/559044655.db2.gz KWBOKSITDXHNCA-UHFFFAOYSA-N -1 3 414.458 4.196 50 0 HIAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957628 559087472 /nfs/dbraw/zinc/08/74/72/559087472.db2.gz KVBFPHMJXQRWSE-KUHUBIRLSA-N -1 3 417.412 4.294 50 0 HIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000135681101 559276305 /nfs/dbraw/zinc/27/63/05/559276305.db2.gz YIUVGXMAJGCVAH-RJGXRXQPSA-N -1 3 414.461 4.055 50 0 HIAAHM [O-]c1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 ZINC000005179824 559289317 /nfs/dbraw/zinc/28/93/17/559289317.db2.gz AQUDKPAFMBXGTI-HXUWFJFHSA-N -1 3 408.417 4.488 50 0 HIAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccccc2Cl)c1 ZINC000005199173 559292348 /nfs/dbraw/zinc/29/23/48/559292348.db2.gz AGTROBREINIKDU-UHFFFAOYSA-N -1 3 405.841 4.109 50 0 HIAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(COc4ccccc4)nc3c1[C@@H]2c1ccco1 ZINC000005346759 560570487 /nfs/dbraw/zinc/57/04/87/560570487.db2.gz VVMJZHBURYWWKQ-FQEVSTJZSA-N -1 3 412.405 4.288 50 0 HIAAHM CCOC(=O)C(Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21)=C(C)[O-] ZINC000005561913 560618352 /nfs/dbraw/zinc/61/83/52/560618352.db2.gz XUQPKCWBSIOIRS-SFHVURJKSA-N -1 3 417.918 4.279 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1C ZINC000102707107 560820625 /nfs/dbraw/zinc/82/06/25/560820625.db2.gz QVIBHYIQLLOPTC-RJGXRXQPSA-N -1 3 414.461 4.060 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CC(C)C)cc1 ZINC000102728252 560821982 /nfs/dbraw/zinc/82/19/82/560821982.db2.gz PVHNACHDIDKRKZ-FDFHNCONSA-N -1 3 408.498 4.200 50 0 HIAAHM COc1cc(OC)cc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c1 ZINC000102746282 560824109 /nfs/dbraw/zinc/82/41/09/560824109.db2.gz DQGCWRKFTUVYBD-JEOXALJRSA-N -1 3 408.414 4.309 50 0 HIAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c(OC)c1 ZINC000102749928 560824551 /nfs/dbraw/zinc/82/45/51/560824551.db2.gz LFVLZNCZQBASAJ-WLRWDXFRSA-N -1 3 408.414 4.309 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)c1 ZINC000102765573 560825141 /nfs/dbraw/zinc/82/51/41/560825141.db2.gz RDNUDPXUHZXUGP-XPWALMASSA-N -1 3 414.461 4.055 50 0 HIAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2OC)n1 ZINC000046020191 568423843 /nfs/dbraw/zinc/42/38/43/568423843.db2.gz VYTBQVHPWXLKFF-UHFFFAOYSA-N -1 3 401.488 4.115 50 0 HIAAHM COc1ccc(CN(Cn2nc(-c3cccs3)[n-]c2=S)C2CC2)c(OC)c1 ZINC000048310552 568436628 /nfs/dbraw/zinc/43/66/28/568436628.db2.gz MWTLMNUYJUSQEW-UHFFFAOYSA-N -1 3 402.545 4.308 50 0 HIAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000048311901 568437087 /nfs/dbraw/zinc/43/70/87/568437087.db2.gz PPUDVFDQDVOXLC-GFCCVEGCSA-N -1 3 412.886 4.002 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc3cccnc32)CCO1 ZINC000096117750 568697171 /nfs/dbraw/zinc/69/71/71/568697171.db2.gz OEXAQJUCUMFAEZ-IFXJQAMLSA-N -1 3 424.526 4.042 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc3nccnc3c2)S1 ZINC000096118293 568697864 /nfs/dbraw/zinc/69/78/64/568697864.db2.gz FOXSVRWFUPQPDQ-RDTXWAMCSA-N -1 3 409.515 4.136 50 0 HIAAHM Cc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c([O-])ccc2ccccc21 ZINC000003111193 568727531 /nfs/dbraw/zinc/72/75/31/568727531.db2.gz GZJITLGKJWTQSQ-JOCHJYFZSA-N -1 3 401.466 4.463 50 0 HIAAHM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000096323595 568732234 /nfs/dbraw/zinc/73/22/34/568732234.db2.gz RSEVBXRRYAEWJN-UHFFFAOYSA-N -1 3 417.281 4.414 50 0 HIAAHM O=C(N=C([O-])Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1c(F)cccc1F ZINC000001075590 568767009 /nfs/dbraw/zinc/76/70/09/568767009.db2.gz RRYGEBLQMMZKFN-UHFFFAOYSA-N -1 3 422.313 4.403 50 0 HIAAHM O=C([N-]C(=O)c1c(F)cccc1F)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000001075590 568767010 /nfs/dbraw/zinc/76/70/10/568767010.db2.gz RRYGEBLQMMZKFN-UHFFFAOYSA-N -1 3 422.313 4.403 50 0 HIAAHM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])ccc2o1 ZINC000052641956 568773850 /nfs/dbraw/zinc/77/38/50/568773850.db2.gz RKMGFDLWPGCFRW-QGZVFWFLSA-N -1 3 407.470 4.074 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000230032267 568803209 /nfs/dbraw/zinc/80/32/09/568803209.db2.gz IDJCVRPNKSOUSB-BHDDXSALSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c(C)c1 ZINC000230047098 568804372 /nfs/dbraw/zinc/80/43/72/568804372.db2.gz JCBOXEYMRLXMJU-MDNUFGMLSA-N -1 3 413.477 4.058 50 0 HIAAHM O=c1nc(CSc2nnnn2C2CCCCC2)[n-]c2scc(-c3ccco3)c21 ZINC000012567097 568860378 /nfs/dbraw/zinc/86/03/78/568860378.db2.gz OMGQCHYETRCVCF-UHFFFAOYSA-N -1 3 414.516 4.029 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 ZINC000012630219 568883048 /nfs/dbraw/zinc/88/30/48/568883048.db2.gz VXAJSPYHEXESTQ-IAGOWNOFSA-N -1 3 400.544 4.222 50 0 HIAAHM C[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccccn1 ZINC000012633958 568883463 /nfs/dbraw/zinc/88/34/63/568883463.db2.gz DNPMHQOQKYZBGM-CQSZACIVSA-N -1 3 415.902 4.027 50 0 HIAAHM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)nc2ccccc12 ZINC000031807029 568931746 /nfs/dbraw/zinc/93/17/46/568931746.db2.gz QSENIZPJQVQDTK-HSZRJFAPSA-N -1 3 418.472 4.112 50 0 HIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000015728431 568979251 /nfs/dbraw/zinc/97/92/51/568979251.db2.gz GQFIHYMZAZGQIW-UHFFFAOYSA-N -1 3 419.572 4.076 50 0 HIAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2ccccc2o1 ZINC000008240671 568984733 /nfs/dbraw/zinc/98/47/33/568984733.db2.gz IXDIMZLCOIMPHY-GFCCVEGCSA-N -1 3 418.902 4.018 50 0 HIAAHM O=c1oc2ccccc2c(NC2CCCCC2)c1[N-]S(=O)(=O)c1cccs1 ZINC000015777697 569001830 /nfs/dbraw/zinc/00/18/30/569001830.db2.gz OZNMQDXXIABRSJ-UHFFFAOYSA-N -1 3 404.513 4.400 50 0 HIAAHM CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc2n[n-]nc2c1 ZINC000008425229 569002056 /nfs/dbraw/zinc/00/20/56/569002056.db2.gz XQEIRASSZBGJJF-UHFFFAOYSA-N -1 3 411.259 4.253 50 0 HIAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)c1 ZINC000035170915 569002205 /nfs/dbraw/zinc/00/22/05/569002205.db2.gz NOVQDMNLYLKISC-KRWDZBQOSA-N -1 3 419.481 4.069 50 0 HIAAHM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000015870506 569017252 /nfs/dbraw/zinc/01/72/52/569017252.db2.gz KPFOKANOKUHOOY-UHFFFAOYSA-N -1 3 409.486 4.298 50 0 HIAAHM Cc1nc(-c2ccco2)sc1C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000090593482 569041622 /nfs/dbraw/zinc/04/16/22/569041622.db2.gz SDRDGZHUIQWCHU-UHFFFAOYSA-N -1 3 420.409 4.348 50 0 HIAAHM O=S(=O)([N-]C1CCCC1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1 ZINC000035527581 569043877 /nfs/dbraw/zinc/04/38/77/569043877.db2.gz ZXFYPHPRGYTWKQ-UHFFFAOYSA-N -1 3 409.920 4.339 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000245310314 569055689 /nfs/dbraw/zinc/05/56/89/569055689.db2.gz IDJCVRPNKSOUSB-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207974 569109863 /nfs/dbraw/zinc/10/98/63/569109863.db2.gz XZQYJPKNGNXHOJ-QGZVFWFLSA-N -1 3 413.587 4.497 50 0 HIAAHM Cc1ccnc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000006759096 569113186 /nfs/dbraw/zinc/11/31/86/569113186.db2.gz KKCPUCOOULVNCD-HXUWFJFHSA-N -1 3 402.420 4.292 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1cccc(Cl)c1 ZINC000065034993 569158604 /nfs/dbraw/zinc/15/86/04/569158604.db2.gz YAVSAEJFOBOSMD-UHFFFAOYSA-N -1 3 420.271 4.383 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@H](c1ccc(F)cc1)N2 ZINC000065298534 569219325 /nfs/dbraw/zinc/21/93/25/569219325.db2.gz OKYVQSZRSXKKNB-LJQANCHMSA-N -1 3 415.896 4.047 50 0 HIAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3C(F)(F)F)c([O-])c12 ZINC000007424030 569237993 /nfs/dbraw/zinc/23/79/93/569237993.db2.gz TXKVERUVDSASRJ-UHFFFAOYSA-N -1 3 412.371 4.293 50 0 HIAAHM CC(C)CNc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000009909644 569251580 /nfs/dbraw/zinc/25/15/80/569251580.db2.gz GLYZBYXWNZJZEP-UHFFFAOYSA-N -1 3 419.557 4.456 50 0 HIAAHM Cc1nc(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)n(C2CCCCC2)c1C ZINC000007718091 569302132 /nfs/dbraw/zinc/30/21/32/569302132.db2.gz HBBYBRVRUCWCPR-UHFFFAOYSA-N -1 3 421.588 4.352 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1 ZINC000007734992 569304668 /nfs/dbraw/zinc/30/46/68/569304668.db2.gz KUVHITIMRUCLDL-UHFFFAOYSA-N -1 3 419.506 4.458 50 0 HIAAHM O=C(NCC1(c2ccccc2)CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008724192 571107427 /nfs/dbraw/zinc/10/74/27/571107427.db2.gz NOLUKPBHNKTEES-UHFFFAOYSA-N -1 3 424.497 4.088 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840931 571124200 /nfs/dbraw/zinc/12/42/00/571124200.db2.gz KZPJTORWFZILGF-UHFFFAOYSA-N -1 3 416.543 4.130 50 0 HIAAHM Cc1oncc1C(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000040155181 571202375 /nfs/dbraw/zinc/20/23/75/571202375.db2.gz FLKFOCQENCCIOZ-UHFFFAOYSA-N -1 3 419.890 4.306 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc2OCC(C)(C)C1=O ZINC000009172059 571234066 /nfs/dbraw/zinc/23/40/66/571234066.db2.gz WEXXEEXXJIEGGZ-UHFFFAOYSA-N -1 3 420.506 4.097 50 0 HIAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c1C ZINC000009173279 571234256 /nfs/dbraw/zinc/23/42/56/571234256.db2.gz OIJSIOPBBVNHCW-UHFFFAOYSA-N -1 3 402.516 4.078 50 0 HIAAHM O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000009283017 571244897 /nfs/dbraw/zinc/24/48/97/571244897.db2.gz WWMDUWFKBZEPKH-UHFFFAOYSA-N -1 3 418.877 4.210 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000009356489 571251319 /nfs/dbraw/zinc/25/13/19/571251319.db2.gz DUAHCPZXPINDSY-GOSISDBHSA-N -1 3 424.522 4.052 50 0 HIAAHM Cc1nc(-c2ccc(F)cc2)sc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009578785 571270149 /nfs/dbraw/zinc/27/01/49/571270149.db2.gz RFHWUKDVPVRFJC-UHFFFAOYSA-N -1 3 416.952 4.494 50 0 HIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(C)c(Cl)c1 ZINC000009638558 571275324 /nfs/dbraw/zinc/27/53/24/571275324.db2.gz YIVTYUMOFFADHH-UHFFFAOYSA-N -1 3 416.919 4.370 50 0 HIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1cccc(Cl)c1C ZINC000009638561 571275340 /nfs/dbraw/zinc/27/53/40/571275340.db2.gz ZRXFGBFCXLKOAL-UHFFFAOYSA-N -1 3 416.919 4.370 50 0 HIAAHM O=C(Nc1cccc2ncccc21)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000009642727 571276060 /nfs/dbraw/zinc/27/60/60/571276060.db2.gz YFFNZYBYFUNVOV-UHFFFAOYSA-N -1 3 421.453 4.427 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C ZINC000009827885 571286685 /nfs/dbraw/zinc/28/66/85/571286685.db2.gz GIFVZMYYXNNTAN-UHFFFAOYSA-N -1 3 408.479 4.487 50 0 HIAAHM COc1cccc([C@H]2CC(c3cccc([O-])c3)=Nc3nc(C(F)(F)F)nn32)c1OC ZINC000009951434 571291561 /nfs/dbraw/zinc/29/15/61/571291561.db2.gz UCVKFIFHONIGDG-OAHLLOKOSA-N -1 3 418.375 4.076 50 0 HIAAHM O=C(Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000022171278 846540965 /nfs/dbraw/zinc/54/09/65/846540965.db2.gz OEQKODFEQUPLEP-UHFFFAOYSA-N -1 3 405.834 4.499 50 0 HIAAHM COC(=O)C(=Cc1ccc(Br)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000095950351 852546981 /nfs/dbraw/zinc/54/69/81/852546981.db2.gz AZECKUPGMJLKEB-MDWZMJQESA-N -1 3 419.300 4.078 50 0 HIAAHM CCC(C)(C)NC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000032904836 521310733 /nfs/dbraw/zinc/31/07/33/521310733.db2.gz RGNMBPQSPWPKBN-SDNWHVSQSA-N -1 3 406.935 4.459 50 0 HIAAHM Cc1ccc(NC(=O)COc2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000040733088 525068111 /nfs/dbraw/zinc/06/81/11/525068111.db2.gz CUIWAANJSAHBFG-UHFFFAOYSA-N -1 3 404.466 4.001 50 0 HIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)ccc1F ZINC000032908028 525214003 /nfs/dbraw/zinc/21/40/03/525214003.db2.gz UWPVPKNJXWWGPH-UHFFFAOYSA-N -1 3 400.431 4.242 50 0 HIAAHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000015358872 526295422 /nfs/dbraw/zinc/29/54/22/526295422.db2.gz YEULJEATSZIVCF-UHFFFAOYSA-N -1 3 424.353 4.334 50 0 HIAAHM O=C([N-]c1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000032827125 527111146 /nfs/dbraw/zinc/11/11/46/527111146.db2.gz RVNKKNLHOWGVQI-UHFFFAOYSA-N -1 3 403.287 4.013 50 0 HIAAHM O=c1c([O-])c(-c2cc(Br)cc3c2OCOC3)oc2ccc(Cl)cc12 ZINC000000630376 557026204 /nfs/dbraw/zinc/02/62/04/557026204.db2.gz MCOCUELRXXWEDA-UHFFFAOYSA-N -1 3 409.619 4.448 50 0 biogenic HIAAHM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000000992671 557135314 /nfs/dbraw/zinc/13/53/14/557135314.db2.gz HYFAGROQEUNIAK-UHFFFAOYSA-N -1 3 412.467 4.247 50 0 HIAAHM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccon4)cc3n2)cc1C ZINC000001053885 557161018 /nfs/dbraw/zinc/16/10/18/557161018.db2.gz HCDDDICJEUHERM-UHFFFAOYSA-N -1 3 401.348 4.272 50 0 HIAAHM O=C(c1ccccc1Br)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000001208725 557242460 /nfs/dbraw/zinc/24/24/60/557242460.db2.gz RVMREZQVTZGKQN-MRXNPFEDSA-N -1 3 419.241 4.482 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138071 557450533 /nfs/dbraw/zinc/45/05/33/557450533.db2.gz QJYVQIWKTGJZNT-KRWDZBQOSA-N -1 3 400.784 4.004 50 0 HIAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138077 557450547 /nfs/dbraw/zinc/45/05/47/557450547.db2.gz JIHLNIDFRRRGDG-KRWDZBQOSA-N -1 3 418.774 4.143 50 0 HIAAHM Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O ZINC000004470644 557556517 /nfs/dbraw/zinc/55/65/17/557556517.db2.gz QGLAAVZDRUSJNL-CXUHLZMHSA-N -1 3 416.886 4.337 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000013511606 558535633 /nfs/dbraw/zinc/53/56/33/558535633.db2.gz UZEJVECWEUQYJT-NJDAHSKKSA-N -1 3 404.853 4.391 50 0 HIAAHM O=c1[n-]c(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2c3ccccc3oc21 ZINC000024821864 558613739 /nfs/dbraw/zinc/61/37/39/558613739.db2.gz VEBJLOIWRIBJGG-INIZCTEOSA-N -1 3 403.438 4.190 50 0 HIAAHM C[C@H](SCC(=O)N1CCCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014246703 558647865 /nfs/dbraw/zinc/64/78/65/558647865.db2.gz WEFLPWIUCXTUAL-LBPRGKRZSA-N -1 3 403.529 4.051 50 0 HIAAHM Cc1ccccc1OCc1nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n[n-]1 ZINC000014254297 558651047 /nfs/dbraw/zinc/65/10/47/558651047.db2.gz COZCIJAKEYIIDM-HNNXBMFYSA-N -1 3 422.510 4.408 50 0 HIAAHM COC(=O)c1ccc(C)c(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000015013193 558700990 /nfs/dbraw/zinc/70/09/90/558700990.db2.gz RSJOXUOUJPTDRT-CPNJWEJPSA-N -1 3 402.406 4.139 50 0 HIAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274566 558764048 /nfs/dbraw/zinc/76/40/48/558764048.db2.gz TXYFAEHPFSOFBB-SFHVURJKSA-N -1 3 414.571 4.359 50 0 HIAAHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2F)S1 ZINC000004598787 558834863 /nfs/dbraw/zinc/83/48/63/558834863.db2.gz ISGJICOQJUHCES-NVNXTCNLSA-N -1 3 408.248 4.491 50 0 HIAAHM O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc2n[n-]nc2c1 ZINC000058222887 558913157 /nfs/dbraw/zinc/91/31/57/558913157.db2.gz XMERSCPDOWHQKR-UHFFFAOYSA-N -1 3 410.231 4.160 50 0 HIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc3cnccc32)CC1 ZINC000058441827 558927792 /nfs/dbraw/zinc/92/77/92/558927792.db2.gz JEHSSSJZEYGRNC-UHFFFAOYSA-N -1 3 424.888 4.476 50 0 HIAAHM O=c1[nH]c2cc(Cl)c([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2[nH]1 ZINC000085684416 559057317 /nfs/dbraw/zinc/05/73/17/559057317.db2.gz PIQDHCWIJDUKGB-UHFFFAOYSA-N -1 3 405.907 4.358 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)cc1 ZINC000003235379 560590325 /nfs/dbraw/zinc/59/03/25/560590325.db2.gz XKALLHGCVWLSJC-UHFFFAOYSA-N -1 3 402.497 4.118 50 0 HIAAHM CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000005644998 560636217 /nfs/dbraw/zinc/63/62/17/560636217.db2.gz ZVGAGVCLDFPYAA-KBXCAEBGSA-N -1 3 417.531 4.129 50 0 HIAAHM Cc1cccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)c1 ZINC000101796887 560801784 /nfs/dbraw/zinc/80/17/84/560801784.db2.gz PFYYXFUTXBKNFC-UHFFFAOYSA-N -1 3 402.502 4.074 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000102663077 560819260 /nfs/dbraw/zinc/81/92/60/560819260.db2.gz KQLJQEYSXFFULJ-YTFSRNRJSA-N -1 3 416.452 4.494 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000102663073 560819340 /nfs/dbraw/zinc/81/93/40/560819340.db2.gz KQLJQEYSXFFULJ-DNVJHFABSA-N -1 3 416.452 4.494 50 0 HIAAHM COc1cccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c1OC ZINC000102836567 560829772 /nfs/dbraw/zinc/82/97/72/560829772.db2.gz DQDIWWHIFUIDGN-VOJFVSQTSA-N -1 3 408.414 4.309 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1-c1nc(C(C)C)no1 ZINC000046020263 568424014 /nfs/dbraw/zinc/42/40/14/568424014.db2.gz BOALLPIKAAEORB-UHFFFAOYSA-N -1 3 401.488 4.286 50 0 HIAAHM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1ccc(Cl)cc1)CC(=O)N2 ZINC000046057137 568426108 /nfs/dbraw/zinc/42/61/08/568426108.db2.gz PJSFZDGGKLCVKC-CQSZACIVSA-N -1 3 401.800 4.421 50 0 HIAAHM COc1ccc2nc([N-]C(=O)c3cc(-c4ccc(OC)c(OC)c4)on3)sc2c1 ZINC000046086781 568428229 /nfs/dbraw/zinc/42/82/29/568428229.db2.gz QTBDPKGCUPBJHW-UHFFFAOYSA-N -1 3 411.439 4.229 50 0 HIAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095478122 568631498 /nfs/dbraw/zinc/63/14/98/568631498.db2.gz BGRKUSSGXNENNH-ZDUSSCGKSA-N -1 3 422.405 4.204 50 0 HIAAHM COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000095478123 568631534 /nfs/dbraw/zinc/63/15/34/568631534.db2.gz BGRKUSSGXNENNH-CYBMUJFWSA-N -1 3 422.405 4.204 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)S1 ZINC000020895927 568648798 /nfs/dbraw/zinc/64/87/98/568648798.db2.gz PSFMVEWPWNGWSB-GOSISDBHSA-N -1 3 421.881 4.059 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)S1 ZINC000020895930 568648804 /nfs/dbraw/zinc/64/88/04/568648804.db2.gz PSFMVEWPWNGWSB-SFHVURJKSA-N -1 3 421.881 4.059 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCc3ccccc3C)c(Cl)c2)S1 ZINC000020895946 568648897 /nfs/dbraw/zinc/64/88/97/568648897.db2.gz CPVDDTAHWNJIPV-LJQANCHMSA-N -1 3 417.918 4.228 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000021357386 568688255 /nfs/dbraw/zinc/68/82/55/568688255.db2.gz PCKJYFDRKWFPMC-UHFFFAOYSA-N -1 3 421.522 4.168 50 0 HIAAHM O=c1[n-]c(SCc2nc(-c3ccccc3)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000021731019 568752050 /nfs/dbraw/zinc/75/20/50/568752050.db2.gz IEGHRTAFLQZQDD-UHFFFAOYSA-N -1 3 401.451 4.261 50 0 HIAAHM COc1ccc(Oc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2OC)cc1 ZINC000012507924 568839885 /nfs/dbraw/zinc/83/98/85/568839885.db2.gz XAGAKZZGKDOBEG-UHFFFAOYSA-N -1 3 415.467 4.306 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3C)cc2)cc1 ZINC000012532547 568844567 /nfs/dbraw/zinc/84/45/67/568844567.db2.gz XTZOFDOOVOVLDE-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)cc1 ZINC000003198556 568861276 /nfs/dbraw/zinc/86/12/76/568861276.db2.gz LHLFWIUJAMEZJM-UHFFFAOYSA-N -1 3 400.500 4.015 50 0 HIAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000003306520 568877562 /nfs/dbraw/zinc/87/75/62/568877562.db2.gz AOSMFNAALAGYDO-UHFFFAOYSA-N -1 3 406.825 4.055 50 0 HIAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c([O-])c12 ZINC000015391735 568885203 /nfs/dbraw/zinc/88/52/03/568885203.db2.gz MLRYCLMBGPPFJF-AWEZNQCLSA-N -1 3 416.456 4.143 50 0 HIAAHM O=C(COC(=O)c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000084590791 568951917 /nfs/dbraw/zinc/95/19/17/568951917.db2.gz WTJAYGXQDZSXRP-LLVKDONJSA-N -1 3 415.795 4.157 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccncc3)ccc2C)c(C)c1 ZINC000007987634 568965363 /nfs/dbraw/zinc/96/53/63/568965363.db2.gz RSYRQOFGAIHZDA-UHFFFAOYSA-N -1 3 423.538 4.046 50 0 HIAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000008230748 568983913 /nfs/dbraw/zinc/98/39/13/568983913.db2.gz MMPGWXUOLWJIAE-SECBINFHSA-N -1 3 409.334 4.415 50 0 HIAAHM COc1ccc(CNCc2c(C)n(Cc3ccc(OC)cc3)c(C)c2C(=O)[O-])cc1 ZINC000015777127 568999486 /nfs/dbraw/zinc/99/94/86/568999486.db2.gz TXSWKJMSKXWHHD-UHFFFAOYSA-N -1 3 408.498 4.158 50 0 HIAAHM Cc1nc(-c2ccco2)sc1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000090593504 569041600 /nfs/dbraw/zinc/04/16/00/569041600.db2.gz WKFMNBRCFVYQQR-UHFFFAOYSA-N -1 3 402.419 4.209 50 0 HIAAHM COCCn1c(C)cc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1C ZINC000006788352 569122530 /nfs/dbraw/zinc/12/25/30/569122530.db2.gz ASVOIUYFROEKET-UHFFFAOYSA-N -1 3 420.535 4.461 50 0 HIAAHM CCSc1ncc(Cl)c(C(=O)[N-]c2nc(C)c(C(=O)OCC(C)C)s2)n1 ZINC000006810481 569134444 /nfs/dbraw/zinc/13/44/44/569134444.db2.gz VXYDBZWNYRNPAI-UHFFFAOYSA-N -1 3 414.940 4.072 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c(C)c1 ZINC000065021037 569154299 /nfs/dbraw/zinc/15/42/99/569154299.db2.gz CMVCCVCXHCDDHH-UHFFFAOYSA-N -1 3 400.544 4.384 50 0 HIAAHM O=S(=O)([N-]Cc1ccccc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098129 569177010 /nfs/dbraw/zinc/17/70/10/569177010.db2.gz NNROJTBEISRNCA-UHFFFAOYSA-N -1 3 415.471 4.083 50 0 HIAAHM Cc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000006940405 569185705 /nfs/dbraw/zinc/18/57/05/569185705.db2.gz UKZWFNSPFUPBEH-UHFFFAOYSA-N -1 3 404.488 4.178 50 0 HIAAHM CCc1cc2c(CSc3nnc(-c4ccccc4F)n3C)cc(=O)oc2cc1[O-] ZINC000007235877 569230093 /nfs/dbraw/zinc/23/00/93/569230093.db2.gz JJHIZNYLEXEVAZ-UHFFFAOYSA-N -1 3 411.458 4.288 50 0 HIAAHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2o1 ZINC000240002209 569239271 /nfs/dbraw/zinc/23/92/71/569239271.db2.gz POYAFTOTCHBCCW-INIZCTEOSA-N -1 3 400.283 4.406 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCCC)cc3)cc2CCC1=O ZINC000008840786 571123841 /nfs/dbraw/zinc/12/38/41/571123841.db2.gz GQFCUTABFVKGOQ-UHFFFAOYSA-N -1 3 416.543 4.356 50 0 HIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(CC(C)C)s3)s2)cc1OC ZINC000039520022 571132423 /nfs/dbraw/zinc/13/24/23/571132423.db2.gz AZEUXILFTDYKAG-UHFFFAOYSA-N -1 3 418.544 4.438 50 0 HIAAHM CCC(CC)c1nnc([N-]C(=O)c2cn(-c3ccccc3Br)nn2)s1 ZINC000040073579 571153719 /nfs/dbraw/zinc/15/37/19/571153719.db2.gz STLDIELXBXBJFB-UHFFFAOYSA-N -1 3 421.324 4.037 50 0 HIAAHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009491355 571262761 /nfs/dbraw/zinc/26/27/61/571262761.db2.gz ITFIERCXAAZVSZ-SNVBAGLBSA-N -1 3 418.475 4.269 50 0 HIAAHM Cn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1-c1ccco1 ZINC000009666048 571277997 /nfs/dbraw/zinc/27/79/97/571277997.db2.gz KRWXVJIGJHYNES-UHFFFAOYSA-N -1 3 421.507 4.332 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000005099622 132301249 /nfs/dbraw/zinc/30/12/49/132301249.db2.gz ZLJYLNJBITZDCS-UHFFFAOYSA-N -1 3 412.536 4.450 50 0 HIAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc21 ZINC000006893050 132319845 /nfs/dbraw/zinc/31/98/45/132319845.db2.gz WAJYRFCCDLCSRD-LBPRGKRZSA-N -1 3 410.948 4.296 50 0 HIAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000008768703 132333307 /nfs/dbraw/zinc/33/33/07/132333307.db2.gz VJJKFTJDJOJYBZ-UHFFFAOYSA-N -1 3 400.544 4.474 50 0 HIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1C ZINC000011612439 132348446 /nfs/dbraw/zinc/34/84/46/132348446.db2.gz QMWCOSOUKMODHR-UHFFFAOYSA-N -1 3 416.543 4.192 50 0 HIAAHM C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1[O-] ZINC000000682458 557056573 /nfs/dbraw/zinc/05/65/73/557056573.db2.gz SJQBIVKRSDUOLC-VIFPVBQESA-N -1 3 415.081 4.323 50 0 HIAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1 ZINC000000980449 557130171 /nfs/dbraw/zinc/13/01/71/557130171.db2.gz BGXFPWNJXZTQJI-UHFFFAOYSA-N -1 3 407.426 4.466 50 0 HIAAHM CC[C@@H]1CCc2c(sc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000002084706 557311036 /nfs/dbraw/zinc/31/10/36/557311036.db2.gz BPNBHFJGYIQMAD-ZCFIWIBFSA-N -1 3 418.387 4.310 50 0 HIAAHM CC[C@@H](C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1)c1ccccc1 ZINC000002880947 557419070 /nfs/dbraw/zinc/41/90/70/557419070.db2.gz INGYYUVPPKASPJ-LJQANCHMSA-N -1 3 400.434 4.495 50 0 HIAAHM CC[C@H](C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1)c1ccccc1 ZINC000002880946 557419101 /nfs/dbraw/zinc/41/91/01/557419101.db2.gz INGYYUVPPKASPJ-IBGZPJMESA-N -1 3 400.434 4.495 50 0 HIAAHM CCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002905406 557425421 /nfs/dbraw/zinc/42/54/21/557425421.db2.gz VNDWWDPDDDLXMF-ZDUSSCGKSA-N -1 3 412.770 4.071 50 0 HIAAHM COc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc([O-])ccc1[C@H]3c1ccco1 ZINC000005348556 557646202 /nfs/dbraw/zinc/64/62/02/557646202.db2.gz OTHYQLCKSDBUQP-IBGZPJMESA-N -1 3 412.405 4.384 50 0 HIAAHM COc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc([O-])ccc1[C@@H]3c1ccco1 ZINC000005348555 557646277 /nfs/dbraw/zinc/64/62/77/557646277.db2.gz OTHYQLCKSDBUQP-LJQANCHMSA-N -1 3 412.405 4.384 50 0 HIAAHM CCOC(=O)C(Sc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12)=C(C)[O-] ZINC000008706965 557800770 /nfs/dbraw/zinc/80/07/70/557800770.db2.gz FMYQRUGVNWIPCX-LJQANCHMSA-N -1 3 421.478 4.359 50 0 HIAAHM CC(=O)OCOc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000020310494 558354967 /nfs/dbraw/zinc/35/49/67/558354967.db2.gz GADFJZWDWFIUEQ-UHFFFAOYSA-N -1 3 403.500 4.435 50 0 HIAAHM Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000012293949 558367301 /nfs/dbraw/zinc/36/73/01/558367301.db2.gz UXJWRJOYQMKOPQ-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000022195179 558466123 /nfs/dbraw/zinc/46/61/23/558466123.db2.gz IJSDYYOERWENKK-LBPRGKRZSA-N -1 3 406.722 4.069 50 0 HIAAHM COc1ccc2cc(CN(C)C(=O)CSc3n[n-]c(-c4cccs4)n3)ccc2c1 ZINC000013164487 558524899 /nfs/dbraw/zinc/52/48/99/558524899.db2.gz MJRXIAHAOQXMHX-UHFFFAOYSA-N -1 3 424.551 4.446 50 0 HIAAHM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1OC ZINC000014253671 558650715 /nfs/dbraw/zinc/65/07/15/558650715.db2.gz DCMVRNHMJDAVSY-UHFFFAOYSA-N -1 3 424.675 4.060 50 0 HIAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)cc1 ZINC000026040154 558654032 /nfs/dbraw/zinc/65/40/32/558654032.db2.gz GRDPFNUZCFEZKU-UHFFFAOYSA-N -1 3 404.538 4.157 50 0 HIAAHM O=C(NC1CC1)[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000026474035 558661733 /nfs/dbraw/zinc/66/17/33/558661733.db2.gz GFPUACPENJDRTL-SFHVURJKSA-N -1 3 414.918 4.149 50 0 HIAAHM O=c1[n-]c2nnc(SCc3ccc(Cl)cc3)n2nc1-c1ccc(Cl)cc1 ZINC000027546547 558674865 /nfs/dbraw/zinc/67/48/65/558674865.db2.gz DZCUWSSZGKJHDF-UHFFFAOYSA-N -1 3 404.282 4.491 50 0 HIAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2I)cc1 ZINC000072289730 558722616 /nfs/dbraw/zinc/72/26/16/558722616.db2.gz NWALPTHUPKKIHP-LLVKDONJSA-N -1 3 416.284 4.001 50 0 HIAAHM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc2cc(Br)ccc2[nH]1 ZINC000072301887 558752130 /nfs/dbraw/zinc/75/21/30/558752130.db2.gz PRDCAEKLBLXGLV-BQYQJAHWSA-N -1 3 412.696 4.391 50 0 HIAAHM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc2ccc(Br)cc2[nH]1 ZINC000072301887 558752132 /nfs/dbraw/zinc/75/21/32/558752132.db2.gz PRDCAEKLBLXGLV-BQYQJAHWSA-N -1 3 412.696 4.391 50 0 HIAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1 ZINC000015869445 558760167 /nfs/dbraw/zinc/76/01/67/558760167.db2.gz UDLOXEODWAIUCX-UHFFFAOYSA-N -1 3 414.571 4.242 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033274832 558764697 /nfs/dbraw/zinc/76/46/97/558764697.db2.gz PMYYXSPDHKPDIU-UHFFFAOYSA-N -1 3 400.544 4.052 50 0 HIAAHM COC(=O)COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(C)C ZINC000016362322 558787929 /nfs/dbraw/zinc/78/79/29/558787929.db2.gz JTKSFRZWICPVIX-UHFFFAOYSA-N -1 3 405.516 4.088 50 0 HIAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1Cl ZINC000016490490 558794563 /nfs/dbraw/zinc/79/45/63/558794563.db2.gz AJWALGIXQXYFHD-UHFFFAOYSA-N -1 3 416.886 4.158 50 0 HIAAHM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C)s1 ZINC000033007749 558828719 /nfs/dbraw/zinc/82/87/19/558828719.db2.gz LEVCWUPIQNGVSQ-UHFFFAOYSA-N -1 3 403.529 4.289 50 0 HIAAHM O=S(=O)([N-]CCc1cccs1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741305 558864671 /nfs/dbraw/zinc/86/46/71/558864671.db2.gz PFFXBHLMQBLLCO-UHFFFAOYSA-N -1 3 403.369 4.307 50 0 HIAAHM COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000005149978 559252055 /nfs/dbraw/zinc/25/20/55/559252055.db2.gz OUUHGPLUKUYUEN-RBUKOAKNSA-N -1 3 415.453 4.278 50 0 HIAAHM CCOc1ccc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)sc2c1 ZINC000011916022 559267215 /nfs/dbraw/zinc/26/72/15/559267215.db2.gz GPWYLHYIMLPRCK-UHFFFAOYSA-N -1 3 423.450 4.374 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 ZINC000005275025 560561672 /nfs/dbraw/zinc/56/16/72/560561672.db2.gz HLOVSYPBWTWEGN-HNAYVOBHSA-N -1 3 401.413 4.458 50 0 HIAAHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005310870 560625881 /nfs/dbraw/zinc/62/58/81/560625881.db2.gz MVLPYMVPJFCZTN-GFCCVEGCSA-N -1 3 409.467 4.483 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)/C=C/c3ccco3)c2)cc1 ZINC000005652651 560628220 /nfs/dbraw/zinc/62/82/20/560628220.db2.gz DJZZVUJQUJKZDD-ZRDIBKRKSA-N -1 3 412.467 4.049 50 0 HIAAHM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc21 ZINC000017178202 560703767 /nfs/dbraw/zinc/70/37/67/560703767.db2.gz FHLSUVNSKKQGTP-UHFFFAOYSA-N -1 3 424.497 4.361 50 0 HIAAHM Cc1c([O-])ccc2c(COC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc(=O)oc12 ZINC000017885244 560729835 /nfs/dbraw/zinc/72/98/35/560729835.db2.gz MKIURTCFSJERAW-UHFFFAOYSA-N -1 3 419.389 4.009 50 0 HIAAHM CC(=O)C(Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)=C(C)[O-] ZINC000100830598 560759454 /nfs/dbraw/zinc/75/94/54/560759454.db2.gz TYPCZRHWHNIVNT-UHFFFAOYSA-N -1 3 408.458 4.193 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000101036820 560766857 /nfs/dbraw/zinc/76/68/57/560766857.db2.gz OAEOLBCEEPGHDO-RYRKJORJSA-N -1 3 405.281 4.472 50 0 HIAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc3c2N(CCC3)C1=O ZINC000101079089 560771283 /nfs/dbraw/zinc/77/12/83/560771283.db2.gz MZCRXWJEVHPLAL-SNVBAGLBSA-N -1 3 411.310 4.191 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000018067084 560774440 /nfs/dbraw/zinc/77/44/40/560774440.db2.gz RLIPVQWPVHWTJF-QHAWAJNXSA-N -1 3 424.378 4.155 50 0 HIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000102663061 560819270 /nfs/dbraw/zinc/81/92/70/560819270.db2.gz FCFTXJGUUHNPLC-BHIFYINESA-N -1 3 402.425 4.185 50 0 HIAAHM CSc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1 ZINC000096117151 568696760 /nfs/dbraw/zinc/69/67/60/568696760.db2.gz PQEBYHFSAGQIMY-MRXNPFEDSA-N -1 3 407.586 4.153 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc3nccnc3c2)S1 ZINC000096118294 568697812 /nfs/dbraw/zinc/69/78/12/568697812.db2.gz FOXSVRWFUPQPDQ-KBXCAEBGSA-N -1 3 409.515 4.136 50 0 HIAAHM O=C(OCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000002642842 568793989 /nfs/dbraw/zinc/79/39/89/568793989.db2.gz WXMXEKVZMIITOL-UHFFFAOYSA-N -1 3 415.898 4.176 50 0 HIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@@H]3CCCC[C@H]3C)c2)cc1 ZINC000003022252 568840537 /nfs/dbraw/zinc/84/05/37/568840537.db2.gz UEXPVJCELRUODH-FOIQADDNSA-N -1 3 418.534 4.497 50 0 HIAAHM CCc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C(=O)OC)c2cccs2)cc1 ZINC000012746550 568932597 /nfs/dbraw/zinc/93/25/97/568932597.db2.gz RNDDQFWWAQYXKX-QGZVFWFLSA-N -1 3 421.565 4.227 50 0 HIAAHM COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3[O-])C2)c2ccccc12 ZINC000012754348 568942374 /nfs/dbraw/zinc/94/23/74/568942374.db2.gz CKALRKVHRMGGEM-KRWDZBQOSA-N -1 3 418.493 4.353 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C ZINC000004270388 568956813 /nfs/dbraw/zinc/95/68/13/568956813.db2.gz PDWYVGLZMWLGHV-UHFFFAOYSA-N -1 3 419.506 4.112 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccccc3Cl)nc(=O)c2c1C ZINC000008135543 568976971 /nfs/dbraw/zinc/97/69/71/568976971.db2.gz CLOVHQALIKFXSG-LBPRGKRZSA-N -1 3 419.934 4.316 50 0 HIAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1C[C@H]1CCCO1 ZINC000008428503 569002436 /nfs/dbraw/zinc/00/24/36/569002436.db2.gz ZUTHVMPQUUCRLL-CQSZACIVSA-N -1 3 402.545 4.106 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCc2ccccc2C)S1 ZINC000015832978 569012801 /nfs/dbraw/zinc/01/28/01/569012801.db2.gz VZYGYMMDMFNCKO-LJQANCHMSA-N -1 3 417.918 4.228 50 0 HIAAHM Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012895619 569020253 /nfs/dbraw/zinc/02/02/53/569020253.db2.gz NCTVWQZPIXXMQP-UHFFFAOYSA-N -1 3 402.422 4.326 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557106 569044794 /nfs/dbraw/zinc/04/47/94/569044794.db2.gz DVNCFPJZVVHJCX-UHFFFAOYSA-N -1 3 409.920 4.198 50 0 HIAAHM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253414445 569051499 /nfs/dbraw/zinc/05/14/99/569051499.db2.gz XNCHNTMTHCEFDH-CQSZACIVSA-N -1 3 408.328 4.092 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000245324865 569055792 /nfs/dbraw/zinc/05/57/92/569055792.db2.gz BCOGPEAYQAMWRM-NJDAHSKKSA-N -1 3 404.491 4.416 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000064801767 569097830 /nfs/dbraw/zinc/09/78/30/569097830.db2.gz VSJBZBKLGBECHS-UHFFFAOYSA-N -1 3 417.922 4.415 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000064801713 569097888 /nfs/dbraw/zinc/09/78/88/569097888.db2.gz NLXZXHBHCYZJKB-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021009 569154249 /nfs/dbraw/zinc/15/42/49/569154249.db2.gz MTVNXLZEWDYBTN-UHFFFAOYSA-N -1 3 416.543 4.166 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1C ZINC000065021046 569154267 /nfs/dbraw/zinc/15/42/67/569154267.db2.gz SRCIYNHUYFMPFW-UHFFFAOYSA-N -1 3 400.544 4.384 50 0 HIAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(SC)cc2)c1 ZINC000065112627 569180626 /nfs/dbraw/zinc/18/06/26/569180626.db2.gz OBXPURXXMQRPMT-UHFFFAOYSA-N -1 3 407.586 4.222 50 0 HIAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C1=O ZINC000065241565 569201762 /nfs/dbraw/zinc/20/17/62/569201762.db2.gz PEOCSINMKPLBJR-UHFFFAOYSA-N -1 3 423.494 4.272 50 0 HIAAHM COc1cc2c(cc1OC)[C@H](NC(=O)c1c[n-]c3c(cccc3C(C)C)c1=O)CC2 ZINC000524734513 569213670 /nfs/dbraw/zinc/21/36/70/569213670.db2.gz LXTLPGYGINZRQU-LJQANCHMSA-N -1 3 406.482 4.086 50 0 HIAAHM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1nnc2ccccc2c1[O-])C1CC1 ZINC000170624400 569249471 /nfs/dbraw/zinc/24/94/71/569249471.db2.gz NBEYVOMADSVNOB-GFCCVEGCSA-N -1 3 401.388 4.308 50 0 HIAAHM C[C@@H](c1ccco1)N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000170626259 569250440 /nfs/dbraw/zinc/25/04/40/569250440.db2.gz VSXXVOMBLBRJKO-NSHDSACASA-N -1 3 401.260 4.249 50 0 HIAAHM COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc(OC)c1O ZINC000071282729 569252551 /nfs/dbraw/zinc/25/25/51/569252551.db2.gz NPCORIBSXXMBAL-HNNXBMFYSA-N -1 3 415.490 4.308 50 0 HIAAHM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000225706587 569293651 /nfs/dbraw/zinc/29/36/51/569293651.db2.gz JKOOVMFNDNBERT-JTQLQIEISA-N -1 3 400.736 4.374 50 0 HIAAHM CCOC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)OC(C)C)C(F)(F)F ZINC000002275130 569327734 /nfs/dbraw/zinc/32/77/34/569327734.db2.gz RXFAOWSSJHIXSW-AWEZNQCLSA-N -1 3 416.318 4.074 50 0 HIAAHM O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000008694125 571102254 /nfs/dbraw/zinc/10/22/54/571102254.db2.gz FWLIFCIRLOPNMG-UHFFFAOYSA-N -1 3 418.877 4.461 50 0 HIAAHM Cc1cc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)n(-c2ccc(C)cc2)n1 ZINC000008848627 571126023 /nfs/dbraw/zinc/12/60/23/571126023.db2.gz PZPVNSLWFKDUSN-UHFFFAOYSA-N -1 3 410.528 4.067 50 0 HIAAHM COc1ccc(CNCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000008932717 571163151 /nfs/dbraw/zinc/16/31/51/571163151.db2.gz WTUHODQTUDKNHV-UHFFFAOYSA-N -1 3 422.525 4.467 50 0 HIAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc(Cl)c1 ZINC000040115393 571173049 /nfs/dbraw/zinc/17/30/49/571173049.db2.gz RNNSJPXHLGAABM-LBPRGKRZSA-N -1 3 421.881 4.099 50 0 HIAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCCSc2cccc(C(F)(F)F)c2)c1 ZINC000009128876 571227173 /nfs/dbraw/zinc/22/71/73/571227173.db2.gz GNAOGWOMNAVBFF-UHFFFAOYSA-N -1 3 419.446 4.026 50 0 HIAAHM O=c1nc(CSc2nnc(NC3CC3)s2)[n-]c2sc(-c3ccccc3)cc21 ZINC000009501000 571263442 /nfs/dbraw/zinc/26/34/42/571263442.db2.gz RHDDMCSOWANPMI-UHFFFAOYSA-N -1 3 413.553 4.370 50 0 HIAAHM Cc1cc(C)cc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000009640625 571275610 /nfs/dbraw/zinc/27/56/10/571275610.db2.gz NVIYZGFMMZEBRL-UHFFFAOYSA-N -1 3 406.511 4.181 50 0 HIAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)CC)cc1C ZINC000012180401 132355791 /nfs/dbraw/zinc/35/57/91/132355791.db2.gz WOQCKFKTPCQRRP-UHFFFAOYSA-N -1 3 416.543 4.274 50 0 HIAAHM CC[C@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032881990 522046218 /nfs/dbraw/zinc/04/62/18/522046218.db2.gz BWKMAUAFEUGTCE-KRWDZBQOSA-N -1 3 410.514 4.162 50 0 HIAAHM CCc1nnc([N-]C(=O)c2cccnc2Oc2ccc(F)cc2Br)s1 ZINC000048353634 522774651 /nfs/dbraw/zinc/77/46/51/522774651.db2.gz VORXBNQQWJUODC-UHFFFAOYSA-N -1 3 423.267 4.442 50 0 HIAAHM COc1cccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)s2)c1 ZINC000044922213 525722796 /nfs/dbraw/zinc/72/27/96/525722796.db2.gz OCJURZJMJDEYPO-ZDUSSCGKSA-N -1 3 402.501 4.082 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2CCC1=O ZINC000008840547 535003884 /nfs/dbraw/zinc/00/38/84/535003884.db2.gz RUKDUJVSEUPJNK-UHFFFAOYSA-N -1 3 400.544 4.410 50 0 HIAAHM CCOC(=O)CCc1c(C(=O)OCc2ccccc2)[n-]c(C)c1C(=O)OC(C)(C)C ZINC000000639941 557031988 /nfs/dbraw/zinc/03/19/88/557031988.db2.gz GXNUOCJRHKKDDV-UHFFFAOYSA-N -1 3 415.486 4.131 50 0 HIAAHM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Cl)c1[O-] ZINC000000694466 557061592 /nfs/dbraw/zinc/06/15/92/557061592.db2.gz WRTZYORNBBWFMQ-MRXNPFEDSA-N -1 3 402.863 4.131 50 0 HIAAHM CCOC(=O)C(Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C(C)[O-] ZINC000001065447 557165969 /nfs/dbraw/zinc/16/59/69/557165969.db2.gz QNXUOYUGFNCKGN-QGZVFWFLSA-N -1 3 415.902 4.201 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)cc1 ZINC000001116120 557187103 /nfs/dbraw/zinc/18/71/03/557187103.db2.gz JQKDHPCKRYBORI-UHFFFAOYSA-N -1 3 407.706 4.105 50 0 HIAAHM O=S(=O)([N-]CCSc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000002065702 557305562 /nfs/dbraw/zinc/30/55/62/557305562.db2.gz RCCRCPOLMBJEJF-UHFFFAOYSA-N -1 3 412.783 4.235 50 0 HIAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002779386 557386526 /nfs/dbraw/zinc/38/65/26/557386526.db2.gz SFBJWVSTISVAQL-MRXNPFEDSA-N -1 3 422.186 4.169 50 0 HIAAHM O=C(c1ccccc1Br)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000004163409 557522471 /nfs/dbraw/zinc/52/24/71/557522471.db2.gz BHDRDDIGQNNDHO-NHYWBVRUSA-N -1 3 405.214 4.092 50 0 HIAAHM COc1ccc(-c2nc3c4c(ncn3n2)Oc2cc([O-])ccc2[C@H]4c2ccco2)cc1 ZINC000005346107 557645993 /nfs/dbraw/zinc/64/59/93/557645993.db2.gz LHJDZXVOCNSNBF-IBGZPJMESA-N -1 3 412.405 4.384 50 0 HIAAHM CCOc1c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Cl)cc1OC ZINC000010475451 558258274 /nfs/dbraw/zinc/25/82/74/558258274.db2.gz AEVURTCIPVYRCE-SFHVURJKSA-N -1 3 402.878 4.014 50 0 HIAAHM CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000011662912 558266778 /nfs/dbraw/zinc/26/67/78/558266778.db2.gz KEWQUPYXMJUXRA-UHFFFAOYSA-N -1 3 417.933 4.442 50 0 HIAAHM CCCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000019943065 558314209 /nfs/dbraw/zinc/31/42/09/558314209.db2.gz VNTJXMFKMUYECE-UHFFFAOYSA-N -1 3 416.569 4.333 50 0 HIAAHM [O-]C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000012376392 558392099 /nfs/dbraw/zinc/39/20/99/558392099.db2.gz OHFLRQZLOAHMPZ-UHFFFAOYSA-N -1 3 401.310 4.480 50 0 HIAAHM O=C1[N-]C(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000012376392 558392102 /nfs/dbraw/zinc/39/21/02/558392102.db2.gz OHFLRQZLOAHMPZ-UHFFFAOYSA-N -1 3 401.310 4.480 50 0 HIAAHM COc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000013127312 558519088 /nfs/dbraw/zinc/51/90/88/558519088.db2.gz KTHZVGNXUKGITL-OALUTQOASA-N -1 3 415.453 4.278 50 0 HIAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033115375 558761514 /nfs/dbraw/zinc/76/15/14/558761514.db2.gz MZUISUGFAXGRBB-SFHVURJKSA-N -1 3 414.571 4.359 50 0 HIAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033115568 558761857 /nfs/dbraw/zinc/76/18/57/558761857.db2.gz FZJZJUDNLBHPHP-UHFFFAOYSA-N -1 3 414.571 4.244 50 0 HIAAHM O=c1c2c[n-]nc2nc(SCc2c(F)cccc2F)n1-c1ccc(Cl)cc1 ZINC000013523763 558836029 /nfs/dbraw/zinc/83/60/29/558836029.db2.gz XYYDUMKZYVQXRL-UHFFFAOYSA-N -1 3 404.829 4.333 50 0 HIAAHM O=c1c2cn[n-]c2nc(SCc2c(F)cccc2F)n1-c1ccc(Cl)cc1 ZINC000013523763 558836031 /nfs/dbraw/zinc/83/60/31/558836031.db2.gz XYYDUMKZYVQXRL-UHFFFAOYSA-N -1 3 404.829 4.333 50 0 HIAAHM COc1ccccc1CN1CCc2nc(SCc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000033287272 559043885 /nfs/dbraw/zinc/04/38/85/559043885.db2.gz KJXBJBQWIYUISV-UHFFFAOYSA-N -1 3 411.502 4.181 50 0 HIAAHM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)c2)n1 ZINC000033297717 559047572 /nfs/dbraw/zinc/04/75/72/559047572.db2.gz UZTGFTWQRZOZNL-UHFFFAOYSA-N -1 3 422.553 4.202 50 0 HIAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc3c2N1CCC3 ZINC000005154175 559253502 /nfs/dbraw/zinc/25/35/02/559253502.db2.gz UVYAYMBLDCDFJW-UHFFFAOYSA-N -1 3 411.310 4.020 50 0 HIAAHM Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005310873 560625861 /nfs/dbraw/zinc/62/58/61/560625861.db2.gz MVLPYMVPJFCZTN-LBPRGKRZSA-N -1 3 409.467 4.483 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1O)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000017715167 560723787 /nfs/dbraw/zinc/72/37/87/560723787.db2.gz LJTSVVCZCPSMJB-IBGZPJMESA-N -1 3 421.474 4.135 50 0 HIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102663103 560819364 /nfs/dbraw/zinc/81/93/64/560819364.db2.gz YDFNFNCLYUEFQC-DNVJHFABSA-N -1 3 416.452 4.439 50 0 HIAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3ccc(O)cc3)C2)cc1 ZINC000102737472 560824491 /nfs/dbraw/zinc/82/44/91/560824491.db2.gz HNUQBPFQYXVQQZ-VLIAUNLRSA-N -1 3 404.426 4.413 50 0 HIAAHM COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccc(O)cc3)C2)cc1 ZINC000102737475 560824499 /nfs/dbraw/zinc/82/44/99/560824499.db2.gz HNUQBPFQYXVQQZ-JLTOFOAXSA-N -1 3 404.426 4.413 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000102759020 560825976 /nfs/dbraw/zinc/82/59/76/560825976.db2.gz IDJCVRPNKSOUSB-BHIFYINESA-N -1 3 402.425 4.185 50 0 HIAAHM O=S(=O)([N-]c1ccc(F)cc1Cl)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914361 560879125 /nfs/dbraw/zinc/87/91/25/560879125.db2.gz SWSUJJHPCJBXDS-UHFFFAOYSA-N -1 3 418.837 4.325 50 0 HIAAHM C[C@@H]1CCC[C@@H](NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)[C@H]1C ZINC000107552790 560896740 /nfs/dbraw/zinc/89/67/40/560896740.db2.gz XVWUVUSFISVCDM-DVOMOZLQSA-N -1 3 408.955 4.070 50 0 HIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)N1 ZINC000000653634 568459711 /nfs/dbraw/zinc/45/97/11/568459711.db2.gz VGJINBHGNNKREB-OAQYLSRUSA-N -1 3 418.415 4.227 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)cc1C ZINC000033128562 568511217 /nfs/dbraw/zinc/51/12/17/568511217.db2.gz PPGMFLPLVVSGAA-UHFFFAOYSA-N -1 3 414.571 4.298 50 0 HIAAHM CCOC(CNCc1c2ccccc2n(Cc2ccc(C)cc2)c1C(=O)[O-])OCC ZINC000020379293 568602410 /nfs/dbraw/zinc/60/24/10/568602410.db2.gz ABHPTRDEPZKWMK-UHFFFAOYSA-N -1 3 410.514 4.185 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc3nccnc32)S1 ZINC000096117336 568697028 /nfs/dbraw/zinc/69/70/28/568697028.db2.gz BAMYUBHGXOJNQW-ACJLOTCBSA-N -1 3 409.515 4.136 50 0 HIAAHM Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000021603419 568723141 /nfs/dbraw/zinc/72/31/41/568723141.db2.gz BRXVEXFPBHRVKR-ZDUSSCGKSA-N -1 3 423.473 4.088 50 0 HIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)cc(N(C)C)n1 ZINC000021794800 568753404 /nfs/dbraw/zinc/75/34/04/568753404.db2.gz WNIUJDBQEREIDD-UHFFFAOYSA-N -1 3 417.922 4.049 50 0 HIAAHM COc1ccc2cc(/C=C\C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)ccc2c1 ZINC000096991399 568766113 /nfs/dbraw/zinc/76/61/13/568766113.db2.gz JACOIWHXPUICMP-WMZJFQQLSA-N -1 3 414.458 4.011 50 0 HIAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c(C)c1 ZINC000002717986 568802650 /nfs/dbraw/zinc/80/26/50/568802650.db2.gz NRVMICHIGZPURM-UHFFFAOYSA-N -1 3 423.473 4.008 50 0 HIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c1 ZINC000230049510 568804326 /nfs/dbraw/zinc/80/43/26/568804326.db2.gz RDNUDPXUHZXUGP-YTFSRNRJSA-N -1 3 414.461 4.055 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCc3cccs3)c2)cc1 ZINC000012526014 568843047 /nfs/dbraw/zinc/84/30/47/568843047.db2.gz QESJGVUXNNHTTB-UHFFFAOYSA-N -1 3 400.525 4.096 50 0 HIAAHM CCC(=O)c1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1 ZINC000003409685 568897895 /nfs/dbraw/zinc/89/78/95/568897895.db2.gz JEKFLMXGERBCEA-UHFFFAOYSA-N -1 3 423.918 4.229 50 0 HIAAHM CCOC(=O)c1oc2ccccc2c1CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012811631 568985432 /nfs/dbraw/zinc/98/54/32/568985432.db2.gz MWNIVHXYQLPIAK-UHFFFAOYSA-N -1 3 422.481 4.166 50 0 HIAAHM COc1ccc(Cn2c(C)c(CNCc3cccc(OC)c3)c(C(=O)[O-])c2C)cc1 ZINC000015777150 568999527 /nfs/dbraw/zinc/99/95/27/568999527.db2.gz HXJVYCMMRSOQGT-UHFFFAOYSA-N -1 3 408.498 4.158 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000015870681 569017447 /nfs/dbraw/zinc/01/74/47/569017447.db2.gz LSXDQPYBXMGEEE-UHFFFAOYSA-N -1 3 421.522 4.466 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000015870681 569017448 /nfs/dbraw/zinc/01/74/48/569017448.db2.gz LSXDQPYBXMGEEE-UHFFFAOYSA-N -1 3 421.522 4.466 50 0 HIAAHM Cc1ccc(-c2[nH]nc3c2C(=C([O-])c2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000035511562 569043051 /nfs/dbraw/zinc/04/30/51/569043051.db2.gz LOJHKJLDWGMGBQ-HNNXBMFYSA-N -1 3 410.271 4.456 50 0 HIAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000035588194 569046160 /nfs/dbraw/zinc/04/61/60/569046160.db2.gz AXYQSXZNFZMNFG-UHFFFAOYSA-N -1 3 402.560 4.184 50 0 HIAAHM Cc1ccc(C)c(-n2c(O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000018213475 569047191 /nfs/dbraw/zinc/04/71/91/569047191.db2.gz XRSGGQWLJFXQJB-FQEVSTJZSA-N -1 3 418.522 4.346 50 0 HIAAHM Cc1cccc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)n1 ZINC000006759602 569113056 /nfs/dbraw/zinc/11/30/56/569113056.db2.gz LVUHTOYGJIQEGB-HXUWFJFHSA-N -1 3 402.420 4.292 50 0 HIAAHM CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc21 ZINC000064946822 569128563 /nfs/dbraw/zinc/12/85/63/569128563.db2.gz GGJYKEZBNQHFJS-UHFFFAOYSA-N -1 3 400.884 4.066 50 0 HIAAHM CCc1ccc(OCCSc2nc(-c3cccc(C)c3)nc3cc(=O)[n-]n32)cc1 ZINC000006915697 569182294 /nfs/dbraw/zinc/18/22/94/569182294.db2.gz REGSPXJDWCLSCJ-UHFFFAOYSA-N -1 3 406.511 4.127 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Nc3cccc(SC)c3)nc(=O)c2c1C ZINC000007002613 569198934 /nfs/dbraw/zinc/19/89/34/569198934.db2.gz SORBYRTZXKIOPF-NSHDSACASA-N -1 3 403.529 4.365 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@@H](c1ccc(C)cc1)N2 ZINC000065298496 569219380 /nfs/dbraw/zinc/21/93/80/569219380.db2.gz YBTMQSXCSOGIKA-FQEVSTJZSA-N -1 3 411.933 4.216 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccsc3)c2)cc1 ZINC000007230668 569229600 /nfs/dbraw/zinc/22/96/00/569229600.db2.gz ZJTUCGKPZMPNGJ-UHFFFAOYSA-N -1 3 402.497 4.118 50 0 HIAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCN1c2ccccc2Sc2ccccc21 ZINC000065551068 569234896 /nfs/dbraw/zinc/23/48/96/569234896.db2.gz TYUGLHJQZOCBLA-UHFFFAOYSA-N -1 3 415.540 4.263 50 0 HIAAHM CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000251982943 569272251 /nfs/dbraw/zinc/27/22/51/569272251.db2.gz GKMDCJLHGHHLQT-AKWBHNSASA-N -1 3 419.241 4.338 50 0 HIAAHM CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000251982944 569272276 /nfs/dbraw/zinc/27/22/76/569272276.db2.gz GKMDCJLHGHHLQT-HICWGWBUSA-N -1 3 419.241 4.338 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccncc2)cs1 ZINC000008777784 571118069 /nfs/dbraw/zinc/11/80/69/571118069.db2.gz BNWUDYMHVJXSKK-DNVCBOLYSA-N -1 3 416.428 4.243 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)ccc1F ZINC000008840672 571123689 /nfs/dbraw/zinc/12/36/89/571123689.db2.gz QBJBSJJRSMBSJE-UHFFFAOYSA-N -1 3 424.497 4.414 50 0 HIAAHM Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c(C)c1 ZINC000245310410 571224105 /nfs/dbraw/zinc/22/41/05/571224105.db2.gz JCBOXEYMRLXMJU-YMPZKCBVSA-N -1 3 413.477 4.058 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc(O)c1 ZINC000009332638 571248884 /nfs/dbraw/zinc/24/88/84/571248884.db2.gz YVHMGXOOHASBAF-NJDAHSKKSA-N -1 3 420.852 4.097 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Nc3ccccc3OCC)nc(=O)c2c1C ZINC000009375991 571252811 /nfs/dbraw/zinc/25/28/11/571252811.db2.gz GVOWUEOKICZFED-LBPRGKRZSA-N -1 3 401.488 4.042 50 0 HIAAHM COc1ccc(C(=O)CSc2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)cc1 ZINC000009521722 571265816 /nfs/dbraw/zinc/26/58/16/571265816.db2.gz JVXDCDWVKGVJDN-UHFFFAOYSA-N -1 3 420.494 4.122 50 0 HIAAHM C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)C1 ZINC000010231503 571297376 /nfs/dbraw/zinc/29/73/76/571297376.db2.gz VDDKVRWFOAQQJH-IAGOWNOFSA-N -1 3 422.554 4.237 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2CCC1=O ZINC000008840752 132333694 /nfs/dbraw/zinc/33/36/94/132333694.db2.gz MIPUYRJETVSKAD-UHFFFAOYSA-N -1 3 412.555 4.446 50 0 HIAAHM CC(C)(C)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000001096467 519038565 /nfs/dbraw/zinc/03/85/65/519038565.db2.gz VOWUSRYWUSPFRA-OXQOHEQNSA-N -1 3 412.452 4.392 50 0 HIAAHM C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc2S1 ZINC000032943979 524761042 /nfs/dbraw/zinc/76/10/42/524761042.db2.gz VNQYJVQKUJIYLK-LLVKDONJSA-N -1 3 424.494 4.003 50 0 HIAAHM C[C@@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2S1 ZINC000032944011 524762023 /nfs/dbraw/zinc/76/20/23/524762023.db2.gz FYZQBWINDYFFNE-LLVKDONJSA-N -1 3 424.494 4.003 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 ZINC000000674228 557050953 /nfs/dbraw/zinc/05/09/53/557050953.db2.gz NXNFHCKBHRSJSF-UHFFFAOYSA-N -1 3 410.495 4.447 50 0 HIAAHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1csc2ccc(Cl)cc12 ZINC000001029730 557146549 /nfs/dbraw/zinc/14/65/49/557146549.db2.gz BWQUPJFUYWIYHY-UHFFFAOYSA-N -1 3 413.904 4.030 50 0 HIAAHM COC(=O)c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000001125856 557195303 /nfs/dbraw/zinc/19/53/03/557195303.db2.gz OPIRWFHPJSVYPB-LDADJPATSA-N -1 3 422.824 4.484 50 0 HIAAHM CCOC(=O)c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000001160789 557218176 /nfs/dbraw/zinc/21/81/76/557218176.db2.gz VOQMYLUWWDJTPP-XMHGGMMESA-N -1 3 402.406 4.221 50 0 HIAAHM COc1ccc(NC(=O)CCCSc2nc3sc(C)c(C)c3c(=O)[n-]2)cc1 ZINC000002697161 557741463 /nfs/dbraw/zinc/74/14/63/557741463.db2.gz HVBICRICJUDTFE-UHFFFAOYSA-N -1 3 403.529 4.121 50 0 HIAAHM CCOc1ccccc1C(=O)NC([N-]c1ccc(C)cn1)(C(F)(F)F)C(F)(F)F ZINC000020189989 558344353 /nfs/dbraw/zinc/34/43/53/558344353.db2.gz RREXSKUGTDXGQD-UHFFFAOYSA-N -1 3 421.341 4.452 50 0 HIAAHM C[C@@H](Sc1ccccc1Br)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000021761794 558447908 /nfs/dbraw/zinc/44/79/08/558447908.db2.gz ORERHLPIEAKKOS-LLVKDONJSA-N -1 3 414.346 4.184 50 0 HIAAHM C[C@@]1(c2ccccc2Cl)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000022357324 558482743 /nfs/dbraw/zinc/48/27/43/558482743.db2.gz OUOUHIACOAIKMZ-KRWDZBQOSA-N -1 3 404.722 4.003 50 0 HIAAHM CC(C)(C)c1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)[n-]c(=O)c3C2)cc1 ZINC000004382516 558484127 /nfs/dbraw/zinc/48/41/27/558484127.db2.gz PVDTYWZICYLQNY-UHFFFAOYSA-N -1 3 405.473 4.072 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl ZINC000013511610 558535650 /nfs/dbraw/zinc/53/56/50/558535650.db2.gz UZEJVECWEUQYJT-QHAWAJNXSA-N -1 3 404.853 4.391 50 0 HIAAHM O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000013960168 558608383 /nfs/dbraw/zinc/60/83/83/558608383.db2.gz QTHVWQVVELVRIB-HNNXBMFYSA-N -1 3 423.174 4.248 50 0 HIAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014066247 558616688 /nfs/dbraw/zinc/61/66/88/558616688.db2.gz KPCRMKLZUJYJNG-HNNXBMFYSA-N -1 3 412.584 4.495 50 0 HIAAHM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)C1=Cc2ccccc2CC1 ZINC000025044676 558627820 /nfs/dbraw/zinc/62/78/20/558627820.db2.gz ZSRRLCJXVXOPCF-UHFFFAOYSA-N -1 3 420.538 4.401 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013388 558832882 /nfs/dbraw/zinc/83/28/82/558832882.db2.gz RQADGXRLHRUNCD-UHFFFAOYSA-N -1 3 401.488 4.152 50 0 HIAAHM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CC[C@@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000033023742 558840570 /nfs/dbraw/zinc/84/05/70/558840570.db2.gz DVSHKZNFRUOWDL-IBGZPJMESA-N -1 3 409.486 4.093 50 0 HIAAHM O=c1nc(N2CCN(C3CCCCC3)CC2)[n-]c2c(-c3ccc(F)cc3)csc21 ZINC000048990026 558847561 /nfs/dbraw/zinc/84/75/61/558847561.db2.gz DRJOFIGZVQJVMY-UHFFFAOYSA-N -1 3 412.534 4.245 50 0 HIAAHM C[C@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004693735 558903969 /nfs/dbraw/zinc/90/39/69/558903969.db2.gz GBTGNQFSCNVAKQ-PQNGQFLHSA-N -1 3 402.425 4.267 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)Sc1nnc(-c2ccccn2)[n-]1 ZINC000334161169 558980407 /nfs/dbraw/zinc/98/04/07/558980407.db2.gz VLBGIWCPMOVBGZ-UHFFFAOYSA-N -1 3 403.489 4.046 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)Sc1nc(-c2ccccn2)n[n-]1 ZINC000334161169 558980409 /nfs/dbraw/zinc/98/04/09/558980409.db2.gz VLBGIWCPMOVBGZ-UHFFFAOYSA-N -1 3 403.489 4.046 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)Sc1n[n-]c(-c2ccccn2)n1 ZINC000334161169 558980411 /nfs/dbraw/zinc/98/04/11/558980411.db2.gz VLBGIWCPMOVBGZ-UHFFFAOYSA-N -1 3 403.489 4.046 50 0 HIAAHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)o1 ZINC000033299385 559049393 /nfs/dbraw/zinc/04/93/93/559049393.db2.gz MVADDIGABHWLFX-UHFFFAOYSA-N -1 3 420.434 4.419 50 0 HIAAHM CCc1nnc([N-]C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)s1 ZINC000011474189 559077957 /nfs/dbraw/zinc/07/79/57/559077957.db2.gz XHUIKHAOLRDCOG-UHFFFAOYSA-N -1 3 401.801 4.211 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC000004865411 559193818 /nfs/dbraw/zinc/19/38/18/559193818.db2.gz ZOWLWBVSVAVCFZ-MRXNPFEDSA-N -1 3 416.543 4.067 50 0 HIAAHM COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000005149984 559252041 /nfs/dbraw/zinc/25/20/41/559252041.db2.gz OUUHGPLUKUYUEN-OALUTQOASA-N -1 3 415.453 4.278 50 0 HIAAHM CCc1ccc2oc(C(=O)[N-]c3cc(-c4ccc(OC)c(OC)c4)no3)cc(=O)c2c1 ZINC000011915242 559267780 /nfs/dbraw/zinc/26/77/80/559267780.db2.gz BOWPHCYTOFAHNO-UHFFFAOYSA-N -1 3 420.421 4.280 50 0 HIAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc([O-])cc1 ZINC000001788411 560558418 /nfs/dbraw/zinc/55/84/18/560558418.db2.gz LNMABQABBCUWBD-UHFFFAOYSA-N -1 3 424.478 4.443 50 0 HIAAHM CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000005430142 560586575 /nfs/dbraw/zinc/58/65/75/560586575.db2.gz XJKRDRYEFPZUBL-UHFFFAOYSA-N -1 3 407.495 4.302 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1OCC ZINC000017319730 560708806 /nfs/dbraw/zinc/70/88/06/560708806.db2.gz IVJIMUMFUAOFOY-UHFFFAOYSA-N -1 3 418.284 4.186 50 0 HIAAHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000000882054 560726008 /nfs/dbraw/zinc/72/60/08/560726008.db2.gz KQMGUEDZFQWPMU-UHFFFAOYSA-N -1 3 419.462 4.336 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccs1 ZINC000169689619 560765618 /nfs/dbraw/zinc/76/56/18/560765618.db2.gz HBUUSADWLVKENE-GBESFXJTSA-N -1 3 410.882 4.453 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000102708464 560820819 /nfs/dbraw/zinc/82/08/19/560820819.db2.gz LKAMQFQKVLEIFI-RJGXRXQPSA-N -1 3 414.461 4.060 50 0 HIAAHM COc1cc(OC)cc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c1 ZINC000102746285 560824070 /nfs/dbraw/zinc/82/40/70/560824070.db2.gz DQGCWRKFTUVYBD-WLRWDXFRSA-N -1 3 408.414 4.309 50 0 HIAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1O ZINC000102751129 560825623 /nfs/dbraw/zinc/82/56/23/560825623.db2.gz QPWAGASNRDJIDY-VOJFVSQTSA-N -1 3 410.455 4.474 50 0 HIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1O ZINC000102751127 560825653 /nfs/dbraw/zinc/82/56/53/560825653.db2.gz QPWAGASNRDJIDY-BBATYDOGSA-N -1 3 410.455 4.474 50 0 HIAAHM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(C)n1 ZINC000012226406 560894749 /nfs/dbraw/zinc/89/47/49/560894749.db2.gz JFXKLWRVSSLGGY-UHFFFAOYSA-N -1 3 416.478 4.257 50 0 HIAAHM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1ccc(Cl)cc1)CC(=O)N2 ZINC000046057133 568426105 /nfs/dbraw/zinc/42/61/05/568426105.db2.gz PJSFZDGGKLCVKC-AWEZNQCLSA-N -1 3 401.800 4.421 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000046057925 568426375 /nfs/dbraw/zinc/42/63/75/568426375.db2.gz MDZWWZDJGDBEKW-CYBMUJFWSA-N -1 3 411.845 4.056 50 0 HIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)s2)cc1 ZINC000049544416 568451258 /nfs/dbraw/zinc/45/12/58/568451258.db2.gz XFBPQIROZAMGRB-CYBMUJFWSA-N -1 3 402.501 4.082 50 0 HIAAHM CCc1cc(-c2csc(S(=O)(=O)[N-]Cc3ccc(OC(C)C)cc3)c2)on1 ZINC000033290304 568513746 /nfs/dbraw/zinc/51/37/46/568513746.db2.gz IWQCOWDFCNJHOV-UHFFFAOYSA-N -1 3 406.529 4.231 50 0 HIAAHM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc(C)n1 ZINC000033324501 568513937 /nfs/dbraw/zinc/51/39/37/568513937.db2.gz XGULSPDFJPDSSQ-UHFFFAOYSA-N -1 3 411.531 4.176 50 0 HIAAHM Cc1ccc(-c2cc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)on2)cc1 ZINC000606422406 568590532 /nfs/dbraw/zinc/59/05/32/568590532.db2.gz XBRWCMNSXOQYLB-UHFFFAOYSA-N -1 3 403.394 4.329 50 0 HIAAHM CSc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096116828 568696221 /nfs/dbraw/zinc/69/62/21/568696221.db2.gz KUEFRHXQSJFVMK-CXAGYDPISA-N -1 3 419.572 4.215 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3nccnc3c2)S1 ZINC000096118292 568697791 /nfs/dbraw/zinc/69/77/91/568697791.db2.gz FOXSVRWFUPQPDQ-KSSFIOAISA-N -1 3 409.515 4.136 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000845871 568710696 /nfs/dbraw/zinc/71/06/96/568710696.db2.gz DZVNDHDTXLLHSX-SWLSCSKDSA-N -1 3 405.214 4.092 50 0 HIAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000229992665 568716593 /nfs/dbraw/zinc/71/65/93/568716593.db2.gz FCFTXJGUUHNPLC-BHDDXSALSA-N -1 3 402.425 4.185 50 0 HIAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1[O-] ZINC000000862357 568718607 /nfs/dbraw/zinc/71/86/07/568718607.db2.gz YGUJUYPNBJSCNX-SFHVURJKSA-N -1 3 422.909 4.290 50 0 HIAAHM CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[O-])c1 ZINC000001067364 568766645 /nfs/dbraw/zinc/76/66/45/568766645.db2.gz ZVWAUUREZXSOSM-UHFFFAOYSA-N -1 3 416.886 4.123 50 0 HIAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1 ZINC000002718061 568802643 /nfs/dbraw/zinc/80/26/43/568802643.db2.gz ZWOSBKHMZVUTDS-UHFFFAOYSA-N -1 3 419.510 4.177 50 0 HIAAHM COc1ccc(OC)c([N-]c2nnc(-c3cc4cccc(OC)c4oc3=O)s2)c1 ZINC000001183639 568822061 /nfs/dbraw/zinc/82/20/61/568822061.db2.gz WWMNQUUPESIFRG-UHFFFAOYSA-N -1 3 411.439 4.081 50 0 HIAAHM Cc1c([O-])ccc2c(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(=O)oc12 ZINC000057406392 568832823 /nfs/dbraw/zinc/83/28/23/568832823.db2.gz KIRDNGPWUNDJBF-UHFFFAOYSA-N -1 3 418.415 4.148 50 0 HIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3cccs3)c2)cc1 ZINC000003022259 568840512 /nfs/dbraw/zinc/84/05/12/568840512.db2.gz LVDZIZCKSXTJSM-UHFFFAOYSA-N -1 3 418.515 4.180 50 0 HIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@H]3CCCC[C@@H]3C)c2)cc1 ZINC000003022254 568840518 /nfs/dbraw/zinc/84/05/18/568840518.db2.gz UEXPVJCELRUODH-YWZLYKJASA-N -1 3 418.534 4.497 50 0 HIAAHM O=C(CSc1nc2ccccc2n1CCc1ccccc1)[N-]C(=O)c1cccs1 ZINC000012579431 568863390 /nfs/dbraw/zinc/86/33/90/568863390.db2.gz VVYSILMUKKILGF-UHFFFAOYSA-N -1 3 421.547 4.389 50 0 HIAAHM Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1C ZINC000058432991 568918814 /nfs/dbraw/zinc/91/88/14/568918814.db2.gz HXTSCUQKLQUFJD-LJQANCHMSA-N -1 3 421.522 4.376 50 0 HIAAHM Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000012735567 568924918 /nfs/dbraw/zinc/92/49/18/568924918.db2.gz YOMMYNKRZKVRKQ-UHFFFAOYSA-N -1 3 412.486 4.425 50 0 HIAAHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012747780 568933703 /nfs/dbraw/zinc/93/37/03/568933703.db2.gz WOSQZGRRJXFKOG-OAHLLOKOSA-N -1 3 415.921 4.032 50 0 HIAAHM Cc1cc2sc(NC(=O)CSc3n[n-]c(-c4cccs4)n3)nc2c(C)c1 ZINC000008264561 568985908 /nfs/dbraw/zinc/98/59/08/568985908.db2.gz ZHALWJBOXHAGQP-UHFFFAOYSA-N -1 3 401.542 4.491 50 0 HIAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)c1 ZINC000035170914 569002163 /nfs/dbraw/zinc/00/21/63/569002163.db2.gz NOVQDMNLYLKISC-QGZVFWFLSA-N -1 3 419.481 4.069 50 0 HIAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000012906219 569021234 /nfs/dbraw/zinc/02/12/34/569021234.db2.gz ASPUQTYDUSHZGM-CYBMUJFWSA-N -1 3 416.466 4.424 50 0 HIAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012945261 569029012 /nfs/dbraw/zinc/02/90/12/569029012.db2.gz KFAQSKZKTLHWGG-UHFFFAOYSA-N -1 3 408.874 4.319 50 0 HIAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012945261 569029013 /nfs/dbraw/zinc/02/90/13/569029013.db2.gz KFAQSKZKTLHWGG-UHFFFAOYSA-N -1 3 408.874 4.319 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1 ZINC000006348478 569044559 /nfs/dbraw/zinc/04/45/59/569044559.db2.gz CYOVWSCCJVGFKP-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)cc2)cc1 ZINC000016469770 569052987 /nfs/dbraw/zinc/05/29/87/569052987.db2.gz RSMKJJZLICFDCJ-UHFFFAOYSA-N -1 3 407.470 4.149 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]C2CCCCC2)c(Br)cc1Br ZINC000054362963 569072429 /nfs/dbraw/zinc/07/24/29/569072429.db2.gz PIOIMJXWXFWMOE-UHFFFAOYSA-N -1 3 411.159 4.131 50 0 HIAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3ccc(OC)cc3)s2)n1 ZINC000064769402 569092604 /nfs/dbraw/zinc/09/26/04/569092604.db2.gz ZZGCOBMZMZNQDM-GFCCVEGCSA-N -1 3 408.570 4.482 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2)n1 ZINC000064801739 569097936 /nfs/dbraw/zinc/09/79/36/569097936.db2.gz BRDUCZPBOQRCHD-UHFFFAOYSA-N -1 3 411.531 4.324 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000064802054 569097947 /nfs/dbraw/zinc/09/79/47/569097947.db2.gz QDTPPFJEFNCZJV-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM O=c1[n-]n(C2CCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000006727449 569101844 /nfs/dbraw/zinc/10/18/44/569101844.db2.gz KGZDLBAMRPDYAY-HNNXBMFYSA-N -1 3 408.321 4.241 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1 ZINC000006748133 569108510 /nfs/dbraw/zinc/10/85/10/569108510.db2.gz MGPRGTYWHRQAOR-UHFFFAOYSA-N -1 3 407.495 4.428 50 0 HIAAHM O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000064862098 569110557 /nfs/dbraw/zinc/11/05/57/569110557.db2.gz COAJBTBLUWXUNZ-UHFFFAOYSA-N -1 3 417.506 4.031 50 0 HIAAHM COc1ccc2c(c1)n(Cc1ccccc1C)c(C(=O)[O-])c2CNCc1cccnc1 ZINC000006794252 569125620 /nfs/dbraw/zinc/12/56/20/569125620.db2.gz FHGUGXMLNNILLV-UHFFFAOYSA-N -1 3 415.493 4.390 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(F)c(Cl)c1)N2 ZINC000065298626 569219425 /nfs/dbraw/zinc/21/94/25/569219425.db2.gz AFKBTOXBXKNIPG-IBGZPJMESA-N -1 3 415.896 4.047 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(I)c2)c(C)c1 ZINC000007360409 569234986 /nfs/dbraw/zinc/23/49/86/569234986.db2.gz TYEXCPLQUCKWRE-UHFFFAOYSA-N -1 3 401.269 4.017 50 0 HIAAHM O=S(=O)([N-]CC1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl ZINC000016971827 569269577 /nfs/dbraw/zinc/26/95/77/569269577.db2.gz VGSHSPQWYWZWFN-UHFFFAOYSA-N -1 3 400.327 4.020 50 0 HIAAHM COc1ccc(N2C(=O)[C@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000002311767 569373888 /nfs/dbraw/zinc/37/38/88/569373888.db2.gz RAYDPGXMQUXRBR-HWBMXIPRSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000078624121 569414693 /nfs/dbraw/zinc/41/46/93/569414693.db2.gz IDUMWVNZNLYXMI-UHFFFAOYSA-N -1 3 400.544 4.230 50 0 HIAAHM CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(CCC)CC3)cc1 ZINC000067291894 571068351 /nfs/dbraw/zinc/06/83/51/571068351.db2.gz JIIZCJPCWYHISF-UHFFFAOYSA-N -1 3 414.575 4.024 50 0 HIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840956 571124365 /nfs/dbraw/zinc/12/43/65/571124365.db2.gz CFVLYFBLMPNMHU-UHFFFAOYSA-N -1 3 404.507 4.260 50 0 HIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961055 571189481 /nfs/dbraw/zinc/18/94/81/571189481.db2.gz VCAMNFKIMVSTHA-UHFFFAOYSA-N -1 3 412.442 4.317 50 0 HIAAHM CCc1cc2c(CSc3nc4ccccc4n3CCOC)cc(=O)oc2cc1[O-] ZINC000009073921 571218705 /nfs/dbraw/zinc/21/87/05/571218705.db2.gz PEVZLQMUGBTWFA-UHFFFAOYSA-N -1 3 410.495 4.349 50 0 HIAAHM CN1c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009169769 571233393 /nfs/dbraw/zinc/23/33/93/571233393.db2.gz KXNXDTGAQIESAT-UHFFFAOYSA-N -1 3 416.543 4.166 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009172067 571234090 /nfs/dbraw/zinc/23/40/90/571234090.db2.gz BAQMNVLPIOGSTQ-UHFFFAOYSA-N -1 3 420.506 4.097 50 0 HIAAHM C[C@H](Sc1nc2ncccn2n1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000010074158 571294718 /nfs/dbraw/zinc/29/47/18/571294718.db2.gz FBZXZWJNHNOKPC-VIFPVBQESA-N -1 3 412.525 4.004 50 0 HIAAHM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000077184273 571311932 /nfs/dbraw/zinc/31/19/32/571311932.db2.gz XJDCZBPGZUIKPE-JOCHJYFZSA-N -1 3 415.942 4.334 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)cc1C ZINC000005099640 132301108 /nfs/dbraw/zinc/30/11/08/132301108.db2.gz BAOQGOVAVLGWMB-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM COc1cc(Cl)cc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1OC(C)C ZINC000040744636 522542698 /nfs/dbraw/zinc/54/26/98/522542698.db2.gz UOSOLMBNBQXSIY-LJQANCHMSA-N -1 3 416.905 4.403 50 0 HIAAHM O=S(=O)([N-]Cc1cccnc1Oc1cccc(F)c1)c1cccc2c1N=S=N2 ZINC000032437757 527232865 /nfs/dbraw/zinc/23/28/65/527232865.db2.gz RASOWFKDTZDUBH-UHFFFAOYSA-N -1 3 416.459 4.218 50 0 HIAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032090953 527657163 /nfs/dbraw/zinc/65/71/63/527657163.db2.gz NETHTCZQQIVXDT-HXUWFJFHSA-N -1 3 418.324 4.418 50 0 HIAAHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000000673983 557051067 /nfs/dbraw/zinc/05/10/67/557051067.db2.gz LDTPZSFPPQICJK-UHFFFAOYSA-N -1 3 424.522 4.294 50 0 HIAAHM O=C(CSc1ccccc1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000001116127 557187113 /nfs/dbraw/zinc/18/71/13/557187113.db2.gz MFOVQHNVWYJKMO-UHFFFAOYSA-N -1 3 404.447 4.093 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1cccc(C)c1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000001650006 557278940 /nfs/dbraw/zinc/27/89/40/557278940.db2.gz RSOOEDHQKJLZDR-GOSISDBHSA-N -1 3 414.811 4.312 50 0 HIAAHM COc1cc(NC(C)=O)c(Cl)cc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000004815778 557601505 /nfs/dbraw/zinc/60/15/05/557601505.db2.gz NKFUOAASKSNIOQ-UHFFFAOYSA-N -1 3 408.911 4.459 50 0 HIAAHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004904979 557611773 /nfs/dbraw/zinc/61/17/73/557611773.db2.gz YGQLTRGCDFWUNA-HNNXBMFYSA-N -1 3 407.230 4.482 50 0 HIAAHM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000022853994 557840488 /nfs/dbraw/zinc/84/04/88/557840488.db2.gz RUPGJZYOWPEEAK-BWACUDIHSA-N -1 3 406.502 4.404 50 0 HIAAHM CCCCSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(F)cc21 ZINC000009600930 557846880 /nfs/dbraw/zinc/84/68/80/557846880.db2.gz RRMDCYPDTNKKPR-OAQYLSRUSA-N -1 3 423.473 4.179 50 0 HIAAHM O=S(=O)([N-]CCc1csc(-c2ccccn2)n1)c1ccc(Cl)c(Cl)c1 ZINC000019942373 558313987 /nfs/dbraw/zinc/31/39/87/558313987.db2.gz RPZJXOQOAUAIPW-UHFFFAOYSA-N -1 3 414.339 4.033 50 0 HIAAHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](c1ccc(C)cc1)C1CC1 ZINC000010682807 558384358 /nfs/dbraw/zinc/38/43/58/558384358.db2.gz ZDNPVQTXTIIJKR-GOSISDBHSA-N -1 3 410.333 4.196 50 0 HIAAHM CCC[C@@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012787477 558463471 /nfs/dbraw/zinc/46/34/71/558463471.db2.gz MUFMRWSBTFZRKU-CYBMUJFWSA-N -1 3 401.557 4.190 50 0 HIAAHM CCc1cc(-c2nc(N)ncc2-c2ccc(Br)cc2)c([O-])cc1OC ZINC000013126008 558518627 /nfs/dbraw/zinc/51/86/27/558518627.db2.gz HAYFDDOPAPKTMW-UHFFFAOYSA-N -1 3 400.276 4.432 50 0 HIAAHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013482605 558534410 /nfs/dbraw/zinc/53/44/10/558534410.db2.gz XXYVUKALQWJNKJ-UHFFFAOYSA-N -1 3 401.488 4.435 50 0 HIAAHM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000014086091 558618769 /nfs/dbraw/zinc/61/87/69/558618769.db2.gz LKXXSTASPBGGBF-NSHDSACASA-N -1 3 415.569 4.455 50 0 HIAAHM O=S(=O)([N-]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000014851167 558674904 /nfs/dbraw/zinc/67/49/04/558674904.db2.gz HZDGHXNWZGQVNV-UHFFFAOYSA-N -1 3 409.536 4.138 50 0 HIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)nc2n1 ZINC000015390681 558737494 /nfs/dbraw/zinc/73/74/94/558737494.db2.gz QNQYOJZPLRYOFG-LBPRGKRZSA-N -1 3 402.907 4.428 50 0 HIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003103535 558749994 /nfs/dbraw/zinc/74/99/94/558749994.db2.gz BSKFZDGPTFUQHU-QGZVFWFLSA-N -1 3 416.783 4.297 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000015724152 558750170 /nfs/dbraw/zinc/75/01/70/558750170.db2.gz OCKNEIJLVCOEOA-INIZCTEOSA-N -1 3 419.241 4.482 50 0 HIAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000033115370 558761610 /nfs/dbraw/zinc/76/16/10/558761610.db2.gz QHIVUJDSZTXKSR-QGZVFWFLSA-N -1 3 400.544 4.051 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033274839 558764679 /nfs/dbraw/zinc/76/46/79/558764679.db2.gz RUTXQWCDHOGSAV-UHFFFAOYSA-N -1 3 414.571 4.361 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000033116558 558877787 /nfs/dbraw/zinc/87/77/87/558877787.db2.gz NXGKHFGEPBGFQS-UHFFFAOYSA-N -1 3 407.495 4.158 50 0 HIAAHM Cc1[nH]c2ccc(F)cc2c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000004751664 559049096 /nfs/dbraw/zinc/04/90/96/559049096.db2.gz BMMHXEABIHOHCH-UHFFFAOYSA-N -1 3 401.290 4.443 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957626 559087426 /nfs/dbraw/zinc/08/74/26/559087426.db2.gz KVBFPHMJXQRWSE-AUUYWEPGSA-N -1 3 417.412 4.294 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957630 559087503 /nfs/dbraw/zinc/08/75/03/559087503.db2.gz KVBFPHMJXQRWSE-IFXJQAMLSA-N -1 3 417.412 4.294 50 0 HIAAHM CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1N([O-])C(=O)NC1CCCCC1 ZINC000050255288 559180993 /nfs/dbraw/zinc/18/09/93/559180993.db2.gz BEZFKIFUNBMZBA-MRXNPFEDSA-N -1 3 411.568 4.498 50 0 HIAAHM CCCCCCOC(=O)c1ccccc1NC(=O)c1c(O)nc2ccccc2c1[O-] ZINC000018143497 560094388 /nfs/dbraw/zinc/09/43/88/560094388.db2.gz GMDFEFKSTBCEHJ-UHFFFAOYSA-N -1 3 408.454 4.223 50 0 biogenic,in-vitro HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005598751 560628412 /nfs/dbraw/zinc/62/84/12/560628412.db2.gz ZFVZUROSLNAWRG-UHFFFAOYSA-N -1 3 416.886 4.402 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C)oc3C)ccc2C)cc1 ZINC000005602574 560629320 /nfs/dbraw/zinc/62/93/20/560629320.db2.gz YUIJHQLFMJNZRN-UHFFFAOYSA-N -1 3 414.483 4.267 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2)CCO1 ZINC000005690328 560785026 /nfs/dbraw/zinc/78/50/26/560785026.db2.gz HMTXLYAUDVADSQ-CJNGLKHVSA-N -1 3 407.923 4.147 50 0 HIAAHM CCc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796913 560801718 /nfs/dbraw/zinc/80/17/18/560801718.db2.gz FQQYTEPOWNZWLZ-UHFFFAOYSA-N -1 3 416.529 4.328 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102690657 560819944 /nfs/dbraw/zinc/81/99/44/560819944.db2.gz PQRXXEZTUSVBNK-PCCBWWKXSA-N -1 3 404.853 4.391 50 0 HIAAHM CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102729864 560822251 /nfs/dbraw/zinc/82/22/51/560822251.db2.gz HTHMRCIAPOXXJW-YPAWHYETSA-N -1 3 408.498 4.344 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102729509 560822267 /nfs/dbraw/zinc/82/22/67/560822267.db2.gz ZVNFNZGPNULSLH-RBZQAINGSA-N -1 3 421.456 4.286 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000102731969 560822454 /nfs/dbraw/zinc/82/24/54/560822454.db2.gz BCOGPEAYQAMWRM-PCCBWWKXSA-N -1 3 404.491 4.416 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(F)c1)ON(c1ccccc1)[C@H]2c1ccccc1F ZINC000102767876 560825104 /nfs/dbraw/zinc/82/51/04/560825104.db2.gz NBHWJPUIBACJGY-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1O ZINC000102751124 560825563 /nfs/dbraw/zinc/82/55/63/560825563.db2.gz QPWAGASNRDJIDY-ZMZPIMSZSA-N -1 3 410.455 4.474 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000102861269 560831844 /nfs/dbraw/zinc/83/18/44/560831844.db2.gz JCPFPKCJPGQIBH-SLFFLAALSA-N -1 3 408.841 4.293 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000102912280 560835358 /nfs/dbraw/zinc/83/53/58/560835358.db2.gz CFPAIWKZMJGJHM-PCCBWWKXSA-N -1 3 404.491 4.416 50 0 HIAAHM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1cccs1 ZINC000045961924 568422817 /nfs/dbraw/zinc/42/28/17/568422817.db2.gz RYAZZRYCWDBPOL-UHFFFAOYSA-N -1 3 412.492 4.267 50 0 HIAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)c(C)s1 ZINC000046057253 568426007 /nfs/dbraw/zinc/42/60/07/568426007.db2.gz QBAAITLKSZBGGD-CQSZACIVSA-N -1 3 401.438 4.446 50 0 HIAAHM Cc1ccc(C(=O)N2CCC(c3nnc(C(=O)[N-]c4ccccc4F)s3)CC2)cc1 ZINC000033272951 568512489 /nfs/dbraw/zinc/51/24/89/568512489.db2.gz JRTAMDBGGCVZCO-UHFFFAOYSA-N -1 3 424.501 4.258 50 0 HIAAHM COC(=O)C[C@@H](c1ccc(C)o1)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095477310 568630942 /nfs/dbraw/zinc/63/09/42/568630942.db2.gz LDMXPJPFDCSTKM-INIZCTEOSA-N -1 3 400.452 4.234 50 0 HIAAHM O=S(=O)([N-]Cc1nc(-c2ccccc2Cl)no1)c1cc(Cl)ccc1Cl ZINC000095481633 568633645 /nfs/dbraw/zinc/63/36/45/568633645.db2.gz SJAFTUPIJMKZOU-UHFFFAOYSA-N -1 3 418.689 4.175 50 0 HIAAHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978070 568654028 /nfs/dbraw/zinc/65/40/28/568654028.db2.gz AUPZMMLXMPWAIL-UHFFFAOYSA-N -1 3 422.475 4.313 50 0 HIAAHM CC(C)(C)OC1CC(N2CC[C@H](c3ccc(F)cc3)[C@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000096009252 568683816 /nfs/dbraw/zinc/68/38/16/568683816.db2.gz NYMQBVRQYKCILL-OPQOLIRYSA-N -1 3 416.459 4.008 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000226813319 568697686 /nfs/dbraw/zinc/69/76/86/568697686.db2.gz BGOFGNTZSGJLKH-FGTMMUONSA-N -1 3 405.281 4.472 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000226982735 568698887 /nfs/dbraw/zinc/69/88/87/568698887.db2.gz PBLBZXKHIMOEEP-FGTMMUONSA-N -1 3 404.388 4.184 50 0 HIAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1-c1nc(C2CC2)no1 ZINC000096379847 568741681 /nfs/dbraw/zinc/74/16/81/568741681.db2.gz ARKXFASKGLETJZ-UHFFFAOYSA-N -1 3 406.895 4.322 50 0 HIAAHM COc1cc(/C=C\c2ccc3cccc(O)c3n2)cc(I)c1[O-] ZINC000096586025 568762859 /nfs/dbraw/zinc/76/28/59/568762859.db2.gz BLGBVGIJBKHOOG-ALCCZGGFSA-N -1 3 419.218 4.430 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000230044127 568804359 /nfs/dbraw/zinc/80/43/59/568804359.db2.gz QUFAJEFNCKOFAQ-BHDDXSALSA-N -1 3 420.415 4.324 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000230049813 568804387 /nfs/dbraw/zinc/80/43/87/568804387.db2.gz UABRJPJIQRLWQC-PWRODBHTSA-N -1 3 406.388 4.016 50 0 HIAAHM Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000057563234 568853881 /nfs/dbraw/zinc/85/38/81/568853881.db2.gz BCIHREZUTFSVIE-UHFFFAOYSA-N -1 3 418.522 4.031 50 0 HIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003339161 568883302 /nfs/dbraw/zinc/88/33/02/568883302.db2.gz LIOIJHRCGGGTTB-UHFFFAOYSA-N -1 3 419.841 4.331 50 0 HIAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c([O-])c12 ZINC000015391734 568885257 /nfs/dbraw/zinc/88/52/57/568885257.db2.gz MLRYCLMBGPPFJF-CQSZACIVSA-N -1 3 416.456 4.143 50 0 HIAAHM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])n2)cc1C ZINC000058432985 568918869 /nfs/dbraw/zinc/91/88/69/568918869.db2.gz HXTSCUQKLQUFJD-IBGZPJMESA-N -1 3 421.522 4.376 50 0 HIAAHM O=S(=O)([N-]CCc1csc(-c2cccnc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000031773227 568930838 /nfs/dbraw/zinc/93/08/38/568930838.db2.gz URXQRQHHPUGQCJ-UHFFFAOYSA-N -1 3 414.339 4.033 50 0 HIAAHM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000031807997 568931562 /nfs/dbraw/zinc/93/15/62/568931562.db2.gz SFHLWNCHNTYUCS-DEOSSOPVSA-N -1 3 414.509 4.281 50 0 HIAAHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004173727 568948201 /nfs/dbraw/zinc/94/82/01/568948201.db2.gz NMJGHHXRGMBVNE-HNNXBMFYSA-N -1 3 407.230 4.338 50 0 HIAAHM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012941307 569028681 /nfs/dbraw/zinc/02/86/81/569028681.db2.gz PRIRGZWTJZLFJP-OAHLLOKOSA-N -1 3 415.921 4.032 50 0 HIAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)co2)no1 ZINC000090583101 569041335 /nfs/dbraw/zinc/04/13/35/569041335.db2.gz IHPLPOKTYLQDDM-UHFFFAOYSA-N -1 3 400.394 4.047 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000006348468 569044554 /nfs/dbraw/zinc/04/45/54/569044554.db2.gz BSXAMOVUPMFQTE-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCCC[C@H]3C)s2)n1 ZINC000064755884 569089743 /nfs/dbraw/zinc/08/97/43/569089743.db2.gz SQEWQMPDYGBHLV-CQSZACIVSA-N -1 3 413.634 4.148 50 0 HIAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3ccc(OC)cc3)s2)n1 ZINC000064769398 569092673 /nfs/dbraw/zinc/09/26/73/569092673.db2.gz ZZGCOBMZMZNQDM-LBPRGKRZSA-N -1 3 408.570 4.482 50 0 HIAAHM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104867 569092709 /nfs/dbraw/zinc/09/27/09/569092709.db2.gz RUPGJZYOWPEEAK-PRXAMGSTSA-N -1 3 406.502 4.404 50 0 HIAAHM Cc1ccnc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)c1 ZINC000006760086 569113423 /nfs/dbraw/zinc/11/34/23/569113423.db2.gz LLLWXBGJONFQEB-HXUWFJFHSA-N -1 3 414.387 4.143 50 0 HIAAHM O=S(=O)([N-]Cc1cccs1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098109 569177043 /nfs/dbraw/zinc/17/70/43/569177043.db2.gz KWJPARFKIMISBR-UHFFFAOYSA-N -1 3 421.500 4.144 50 0 HIAAHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc2ccccc2o1 ZINC000240002210 569239217 /nfs/dbraw/zinc/23/92/17/569239217.db2.gz POYAFTOTCHBCCW-MRXNPFEDSA-N -1 3 400.283 4.406 50 0 HIAAHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC000170610556 569245358 /nfs/dbraw/zinc/24/53/58/569245358.db2.gz YXXYXHBGROETMB-UHFFFAOYSA-N -1 3 417.918 4.181 50 0 HIAAHM CCCc1cc(-c2nc(C)c(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)s2)ccn1 ZINC000071286391 569252274 /nfs/dbraw/zinc/25/22/74/569252274.db2.gz GIIXVJQVOGAAES-AWEZNQCLSA-N -1 3 415.544 4.421 50 0 HIAAHM O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000014200387 569258965 /nfs/dbraw/zinc/25/89/65/569258965.db2.gz DJFSYNTUKIUVDZ-UHFFFAOYSA-N -1 3 418.877 4.210 50 0 HIAAHM O=S(=O)([N-]c1cncc(Br)c1Cl)c1cccc(Cl)c1F ZINC000089768066 569263638 /nfs/dbraw/zinc/26/36/38/569263638.db2.gz LXBGYTKDQHATRL-UHFFFAOYSA-N -1 3 400.056 4.091 50 0 HIAAHM CCc1cc2c(CN3CCC[C@H]3c3cc(OC)ccc3OC)cc(=O)oc2cc1[O-] ZINC000007718525 569302105 /nfs/dbraw/zinc/30/21/05/569302105.db2.gz AEJCWPWWSMPYBN-FQEVSTJZSA-N -1 3 409.482 4.415 50 0 HIAAHM COc1ccc(Cl)cc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000027528417 569364231 /nfs/dbraw/zinc/36/42/31/569364231.db2.gz IWTPUWYQMGLKPK-UHFFFAOYSA-N -1 3 423.831 4.249 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000002404513 569396040 /nfs/dbraw/zinc/39/60/40/569396040.db2.gz NDIWNNJWRZVTDL-PCCBWWKXSA-N -1 3 419.868 4.095 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)ccc1F ZINC000008840957 571124402 /nfs/dbraw/zinc/12/44/02/571124402.db2.gz FUHQKWDLGXVKMP-UHFFFAOYSA-N -1 3 404.507 4.260 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(C)c1 ZINC000008961329 571189748 /nfs/dbraw/zinc/18/97/48/571189748.db2.gz WDHASSGOIAUFIA-UHFFFAOYSA-N -1 3 424.478 4.471 50 0 HIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1 ZINC000009170513 571233595 /nfs/dbraw/zinc/23/35/95/571233595.db2.gz YKMWETBBFQYMFJ-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000009572424 571269082 /nfs/dbraw/zinc/26/90/82/571269082.db2.gz XBWSDPYYLCQEPN-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000009572434 571269116 /nfs/dbraw/zinc/26/91/16/571269116.db2.gz DXMRBMNRTQYIBW-UHFFFAOYSA-N -1 3 417.922 4.415 50 0 HIAAHM COc1ccccc1-n1ncc2c1nc(SCc1c(F)cccc1Cl)[n-]c2=O ZINC000009621938 571274221 /nfs/dbraw/zinc/27/42/21/571274221.db2.gz MNCDYZZNICQXCY-UHFFFAOYSA-N -1 3 416.865 4.202 50 0 HIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000009827878 571286656 /nfs/dbraw/zinc/28/66/56/571286656.db2.gz ONHFIGJMOGKFDG-UHFFFAOYSA-N -1 3 408.479 4.432 50 0 HIAAHM CSCc1nc(=O)c2c(C)c(C(=O)Nc3ccc4nc(C)sc4c3)sc2[n-]1 ZINC000009913236 571290113 /nfs/dbraw/zinc/29/01/13/571290113.db2.gz SALNYLNXNTVSHZ-UHFFFAOYSA-N -1 3 416.553 4.326 50 0 HIAAHM CCOC(=O)c1sc2[nH]c(C=Cc3cc(Cl)c([O-])c(OC)c3)nc(=O)c2c1C ZINC000013134963 845906140 /nfs/dbraw/zinc/90/61/40/845906140.db2.gz KPCDJAXWEJSLHZ-AATRIKPKSA-N -1 3 420.874 4.008 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000033575856 848136940 /nfs/dbraw/zinc/13/69/40/848136940.db2.gz FOXKXSNKAVIWGD-APSNUPSMSA-N -1 3 422.506 4.456 50 0 HIAAHM [O-][C@](c1nc2ccccc2s1)(c1cc2c3c(c1O)CCCN3CCC2)C(F)(F)F ZINC000008780091 132333425 /nfs/dbraw/zinc/33/34/25/132333425.db2.gz BZBNWTHMAMUZOQ-FQEVSTJZSA-N -1 3 420.456 4.499 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2CCC1=O ZINC000008840731 132333639 /nfs/dbraw/zinc/33/36/39/132333639.db2.gz QOHMWDBQCXNVJZ-UHFFFAOYSA-N -1 3 400.544 4.492 50 0 HIAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)ccc21 ZINC000012180399 132355756 /nfs/dbraw/zinc/35/57/56/132355756.db2.gz ATYGVXVYQQRYQF-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012324750 132358669 /nfs/dbraw/zinc/35/86/69/132358669.db2.gz DREGVAYSHUNCTR-IBGZPJMESA-N -1 3 403.404 4.135 50 0 HIAAHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000000814837 557089280 /nfs/dbraw/zinc/08/92/80/557089280.db2.gz UCXWQPCAFUPUMK-CQSZACIVSA-N -1 3 413.630 4.079 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(I)cc2C)cc1 ZINC000001042298 557153962 /nfs/dbraw/zinc/15/39/62/557153962.db2.gz GAPFFUDEMQMRHP-UHFFFAOYSA-N -1 3 401.269 4.017 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1 ZINC000001230591 557249385 /nfs/dbraw/zinc/24/93/85/557249385.db2.gz MTLDEIMAFZWTNB-UHFFFAOYSA-N -1 3 401.269 4.017 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002188013 557324574 /nfs/dbraw/zinc/32/45/74/557324574.db2.gz KHRKDKMBLLSOGG-QGZVFWFLSA-N -1 3 418.774 4.143 50 0 HIAAHM O=C(COc1ccccc1Cl)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000002846295 557402691 /nfs/dbraw/zinc/40/26/91/557402691.db2.gz GBJHZLGCKWIHAN-UHFFFAOYSA-N -1 3 422.824 4.033 50 0 HIAAHM O=C(c1ccccc1Br)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000004163405 557522450 /nfs/dbraw/zinc/52/24/50/557522450.db2.gz BHDRDDIGQNNDHO-IAQYHMDHSA-N -1 3 405.214 4.092 50 0 HIAAHM O=S(=O)([N-]Cc1csc(-c2cccs2)n1)c1ccc(-c2ccccn2)s1 ZINC000008649562 557798628 /nfs/dbraw/zinc/79/86/28/557798628.db2.gz KFSYGLQKFMRODJ-UHFFFAOYSA-N -1 3 419.578 4.474 50 0 HIAAHM CCOC(=O)C(Sc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12)=C(C)[O-] ZINC000008706969 557800855 /nfs/dbraw/zinc/80/08/55/557800855.db2.gz FMYQRUGVNWIPCX-IBGZPJMESA-N -1 3 421.478 4.359 50 0 HIAAHM O=C(Nc1cc(Br)ccc1[O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000012846077 558478893 /nfs/dbraw/zinc/47/88/93/558478893.db2.gz VOSRZTXYBSYKBQ-UHFFFAOYSA-N -1 3 423.217 4.265 50 0 HIAAHM CC(C)CCn1nc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c2ccccc2c1=O ZINC000013101878 558514466 /nfs/dbraw/zinc/51/44/66/558514466.db2.gz COIUMOOAWIGJDA-UHFFFAOYSA-N -1 3 420.538 4.286 50 0 HIAAHM COc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000013127313 558519049 /nfs/dbraw/zinc/51/90/49/558519049.db2.gz KTHZVGNXUKGITL-RBUKOAKNSA-N -1 3 415.453 4.278 50 0 HIAAHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1 ZINC000023156703 558539629 /nfs/dbraw/zinc/53/96/29/558539629.db2.gz KDZCKCZASRXYRZ-KBPBESRZSA-N -1 3 424.925 4.398 50 0 HIAAHM CCc1cc2c(ncnc2SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)s1 ZINC000013637576 558554745 /nfs/dbraw/zinc/55/47/45/558554745.db2.gz MBUHHHXXYRMUKC-UHFFFAOYSA-N -1 3 416.553 4.355 50 0 HIAAHM O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000013960167 558608417 /nfs/dbraw/zinc/60/84/17/558608417.db2.gz QTHVWQVVELVRIB-OAHLLOKOSA-N -1 3 423.174 4.248 50 0 HIAAHM CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000024790263 558613224 /nfs/dbraw/zinc/61/32/24/558613224.db2.gz OXJJBDQPKZXFEE-UHFFFAOYSA-N -1 3 424.888 4.092 50 0 HIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)sc2c1CCC2 ZINC000027792880 558682429 /nfs/dbraw/zinc/68/24/29/558682429.db2.gz KBSQRMUMSHCBRE-LLVKDONJSA-N -1 3 424.478 4.254 50 0 HIAAHM COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)cc(Br)c1[O-] ZINC000055292354 558878655 /nfs/dbraw/zinc/87/86/55/558878655.db2.gz OESQSCULLNMJLQ-UHFFFAOYSA-N -1 3 405.336 4.102 50 0 HIAAHM COCCCN1CCc2nc(SCc3ccc(C(C)(C)C)cc3)[n-]c(=O)c2C1 ZINC000033141652 558893304 /nfs/dbraw/zinc/89/33/04/558893304.db2.gz DHQGLUZZAQQENA-UHFFFAOYSA-N -1 3 401.576 4.167 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2C)cc1 ZINC000058265167 558915569 /nfs/dbraw/zinc/91/55/69/558915569.db2.gz QOMJBSDUOPQZCL-UHFFFAOYSA-N -1 3 403.529 4.079 50 0 HIAAHM C[C@H](OCCC[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000059745645 558938667 /nfs/dbraw/zinc/93/86/67/558938667.db2.gz XVBKFQBMBIHKND-ZDUSSCGKSA-N -1 3 416.312 4.034 50 0 HIAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)N1CCCC1 ZINC000004835021 559165535 /nfs/dbraw/zinc/16/55/35/559165535.db2.gz SZPYUCBELBYORM-UHFFFAOYSA-N -1 3 414.314 4.422 50 0 HIAAHM Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000005137246 559250229 /nfs/dbraw/zinc/25/02/29/559250229.db2.gz BUMIPSWRXZONOU-UHFFFAOYSA-N -1 3 412.458 4.057 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000017921318 560730718 /nfs/dbraw/zinc/73/07/18/560730718.db2.gz ZVNFNZGPNULSLH-TZRRMPRUSA-N -1 3 421.456 4.286 50 0 HIAAHM CCSc1nnc([N-]C(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)s1 ZINC000018195956 560782468 /nfs/dbraw/zinc/78/24/68/560782468.db2.gz QEFGAADSMSVEJR-UHFFFAOYSA-N -1 3 419.479 4.422 50 0 HIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000101264424 560789697 /nfs/dbraw/zinc/78/96/97/560789697.db2.gz LTLGWXSSEIRPKA-QHAWAJNXSA-N -1 3 404.491 4.416 50 0 HIAAHM CCc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)cc1 ZINC000101796860 560801751 /nfs/dbraw/zinc/80/17/51/560801751.db2.gz BGQFSOIKTKLLND-UHFFFAOYSA-N -1 3 416.529 4.328 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102728204 560822007 /nfs/dbraw/zinc/82/20/07/560822007.db2.gz GUSRRSRXMWIWQD-RBZQAINGSA-N -1 3 421.456 4.286 50 0 HIAAHM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc(C)n1 ZINC000012226386 560894693 /nfs/dbraw/zinc/89/46/93/560894693.db2.gz MIXFCOWROCFHEF-UHFFFAOYSA-N -1 3 412.515 4.427 50 0 HIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@@H]4CCCO4)s3)s2)cc1 ZINC000049544413 568451201 /nfs/dbraw/zinc/45/12/01/568451201.db2.gz XFBPQIROZAMGRB-ZDUSSCGKSA-N -1 3 402.501 4.082 50 0 HIAAHM O=C(Nc1cccc(Cl)c1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000005769333 568455220 /nfs/dbraw/zinc/45/52/20/568455220.db2.gz QPBHFRAWTFBRLX-UHFFFAOYSA-N -1 3 408.885 4.387 50 0 HIAAHM O=c1nc(CN2CCN(Cc3ccsc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000022788019 568499616 /nfs/dbraw/zinc/49/96/16/568499616.db2.gz YOVDRHGAOITTBZ-UHFFFAOYSA-N -1 3 422.579 4.031 50 0 HIAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479034 568632199 /nfs/dbraw/zinc/63/21/99/568632199.db2.gz KWKZSZSDEVRRJU-ZDUSSCGKSA-N -1 3 404.415 4.065 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCc3cccc(C)c3)c(Cl)c2)S1 ZINC000020895952 568648868 /nfs/dbraw/zinc/64/88/68/568648868.db2.gz UQKZSWHNEBGUMZ-LJQANCHMSA-N -1 3 417.918 4.228 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)S1 ZINC000020896129 568649068 /nfs/dbraw/zinc/64/90/68/568649068.db2.gz CLSBXECLJQPDSD-GOSISDBHSA-N -1 3 421.881 4.059 50 0 HIAAHM O=S(=O)([N-]CCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1F ZINC000021053241 568660972 /nfs/dbraw/zinc/66/09/72/568660972.db2.gz CXJNAOUWACMSJT-UHFFFAOYSA-N -1 3 414.886 4.263 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000845870 568710516 /nfs/dbraw/zinc/71/05/16/568710516.db2.gz DZVNDHDTXLLHSX-DOMZBBRYSA-N -1 3 405.214 4.092 50 0 HIAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000229994234 568716682 /nfs/dbraw/zinc/71/66/82/568716682.db2.gz BGMVTEUMGWDEOV-MDNUFGMLSA-N -1 3 416.452 4.494 50 0 HIAAHM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000241287494 568730965 /nfs/dbraw/zinc/73/09/65/568730965.db2.gz LLXAOOFLWNOTEM-UHFFFAOYSA-N -1 3 420.775 4.084 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C(F)(F)F)cc3C)cc2)cc1 ZINC000028577225 568792852 /nfs/dbraw/zinc/79/28/52/568792852.db2.gz FANNEYWXDNGILT-UHFFFAOYSA-N -1 3 411.405 4.009 50 0 HIAAHM Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c1 ZINC000002718060 568802586 /nfs/dbraw/zinc/80/25/86/568802586.db2.gz WJFBQPYUUBGUOV-UHFFFAOYSA-N -1 3 419.510 4.177 50 0 HIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C)c2)cc1 ZINC000003022256 568840554 /nfs/dbraw/zinc/84/05/54/568840554.db2.gz UEXPVJCELRUODH-MGPUTAFESA-N -1 3 418.534 4.497 50 0 HIAAHM O=C(NC1CC1)c1cccc(NCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)c1 ZINC000012563929 568859549 /nfs/dbraw/zinc/85/95/49/568859549.db2.gz SEEDBCIWNDMIAL-UHFFFAOYSA-N -1 3 416.506 4.156 50 0 HIAAHM COc1ccc(C)cc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003245368 568867077 /nfs/dbraw/zinc/86/70/77/568867077.db2.gz YGPXISPVVYSJQQ-UHFFFAOYSA-N -1 3 404.492 4.469 50 0 HIAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2ccc(C(C)(C)C)cc2)C(C)C)s1 ZINC000031069908 568911917 /nfs/dbraw/zinc/91/19/17/568911917.db2.gz RXZSETZXDDXUJR-FQEVSTJZSA-N -1 3 422.616 4.357 50 0 HIAAHM Cc1ccc(C)c(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)c1 ZINC000004077932 568938673 /nfs/dbraw/zinc/93/86/73/568938673.db2.gz LTJGIKZDERUVLR-UHFFFAOYSA-N -1 3 404.542 4.200 50 0 HIAAHM CC(C)CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000004173723 568948353 /nfs/dbraw/zinc/94/83/53/568948353.db2.gz BRNXOTOZMNFIPR-HNNXBMFYSA-N -1 3 407.230 4.338 50 0 HIAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000013008828 569049895 /nfs/dbraw/zinc/04/98/95/569049895.db2.gz KFFMNYMKUJTGKM-UHFFFAOYSA-N -1 3 416.905 4.058 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000239306134 569054143 /nfs/dbraw/zinc/05/41/43/569054143.db2.gz GLUBGJJHSQFDME-NJDAHSKKSA-N -1 3 404.853 4.391 50 0 HIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CCc2cccc(Cl)c2Cl)ccc1F ZINC000036395988 569169014 /nfs/dbraw/zinc/16/90/14/569169014.db2.gz TYFXEKHLVATNRR-UHFFFAOYSA-N -1 3 405.278 4.075 50 0 HIAAHM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)n1 ZINC000065194568 569192849 /nfs/dbraw/zinc/19/28/49/569192849.db2.gz FRMAWNVKVUWTSB-UHFFFAOYSA-N -1 3 408.911 4.017 50 0 HIAAHM CCc1cc2c(CN3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2cc1[O-] ZINC000007718524 569302057 /nfs/dbraw/zinc/30/20/57/569302057.db2.gz AEJCWPWWSMPYBN-HXUWFJFHSA-N -1 3 409.482 4.415 50 0 HIAAHM CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N3)CC1 ZINC000585655758 569389786 /nfs/dbraw/zinc/38/97/86/569389786.db2.gz DPVIJESWJNKBMH-CYBMUJFWSA-N -1 3 407.301 4.199 50 0 HIAAHM Cc1nc(C2([N-]S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCCCC2)no1 ZINC000079105784 569427719 /nfs/dbraw/zinc/42/77/19/569427719.db2.gz DGOYFTZCKZPVAB-UHFFFAOYSA-N -1 3 418.346 4.354 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 ZINC000008840829 571123936 /nfs/dbraw/zinc/12/39/36/571123936.db2.gz XSJXVDBCQZCFEJ-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(C)c1 ZINC000008961067 571189457 /nfs/dbraw/zinc/18/94/57/571189457.db2.gz NWKZLHNFBGSFCL-UHFFFAOYSA-N -1 3 424.478 4.187 50 0 HIAAHM COc1ccccc1NC(=O)c1oc2cccnc2c1[N-]C(=O)c1ccccc1F ZINC000009058316 571217092 /nfs/dbraw/zinc/21/70/92/571217092.db2.gz DLKSEAOCWWJVRQ-UHFFFAOYSA-N -1 3 405.385 4.480 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Nc3ccccc3OCC)nc(=O)c2c1C ZINC000009375992 571252782 /nfs/dbraw/zinc/25/27/82/571252782.db2.gz GVOWUEOKICZFED-GFCCVEGCSA-N -1 3 401.488 4.042 50 0 HIAAHM O=C(NCc1ccc(F)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000009507172 571263703 /nfs/dbraw/zinc/26/37/03/571263703.db2.gz XRVJXESBEFMTQY-UHFFFAOYSA-N -1 3 418.877 4.210 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)n1 ZINC000009572464 571269109 /nfs/dbraw/zinc/26/91/09/571269109.db2.gz UPZNBBOAZKDBDX-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM C[C@@]1(c2ccc(Cl)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009584406 571271109 /nfs/dbraw/zinc/27/11/09/571271109.db2.gz VXKKEASBPBTAJH-KRWDZBQOSA-N -1 3 404.722 4.003 50 0 HIAAHM O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(Br)ccc1[O-] ZINC000009610800 571273630 /nfs/dbraw/zinc/27/36/30/571273630.db2.gz IEHUTWFOVDUMSI-UHFFFAOYSA-N -1 3 421.222 4.104 50 0 HIAAHM C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)C1 ZINC000010231502 571297422 /nfs/dbraw/zinc/29/74/22/571297422.db2.gz VDDKVRWFOAQQJH-IRXDYDNUSA-N -1 3 422.554 4.237 50 0 HIAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293422 571299533 /nfs/dbraw/zinc/29/95/33/571299533.db2.gz DXBRWFXXDANJQJ-UHFFFAOYSA-N -1 3 416.905 4.080 50 0 HIAAHM CC(C)CCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000004528453 845063196 /nfs/dbraw/zinc/06/31/96/845063196.db2.gz HTHRCTSSFOLQCS-UHFFFAOYSA-N -1 3 408.542 4.452 50 0 HIAAHM CC(C)CCn1c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc21 ZINC000004528453 845063210 /nfs/dbraw/zinc/06/32/10/845063210.db2.gz HTHRCTSSFOLQCS-UHFFFAOYSA-N -1 3 408.542 4.452 50 0 HIAAHM COc1cc(C=NNC(=O)c2ccc([O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000254458140 854211852 /nfs/dbraw/zinc/21/18/52/854211852.db2.gz QCQNXIRLGLWINY-UHFFFAOYSA-N -1 3 410.857 4.397 50 0 HIAAHM O=c1nc(CN2CCN(c3ccccc3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000002657949 132256737 /nfs/dbraw/zinc/25/67/37/132256737.db2.gz XUTWGMSSBHPHCZ-UHFFFAOYSA-N -1 3 408.552 4.035 50 0 HIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1CCCc2ccccc21 ZINC000003300450 132264304 /nfs/dbraw/zinc/26/43/04/132264304.db2.gz YZNPVIYUHPQLNL-UHFFFAOYSA-N -1 3 400.504 4.492 50 0 HIAAHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000032325607 521632926 /nfs/dbraw/zinc/63/29/26/521632926.db2.gz FWPCVXQXHZHXFA-CYBMUJFWSA-N -1 3 403.335 4.456 50 0 HIAAHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)cc1OC ZINC000032935762 522581241 /nfs/dbraw/zinc/58/12/41/522581241.db2.gz KQLBAOJPXTVMNU-HXUWFJFHSA-N -1 3 411.470 4.192 50 0 HIAAHM COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)cc1OC ZINC000032935760 522583315 /nfs/dbraw/zinc/58/33/15/522583315.db2.gz KQLBAOJPXTVMNU-FQEVSTJZSA-N -1 3 411.470 4.192 50 0 HIAAHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cn1 ZINC000030873215 526220950 /nfs/dbraw/zinc/22/09/50/526220950.db2.gz HYYCKSPADVHFNS-UHFFFAOYSA-N -1 3 415.902 4.405 50 0 HIAAHM O=C(NCCc1ccccc1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000000683223 557057177 /nfs/dbraw/zinc/05/71/77/557057177.db2.gz ZYKWTWUGINROQH-UHFFFAOYSA-N -1 3 414.914 4.113 50 0 HIAAHM O=S(=O)([N-]Cc1c(Cl)cccc1Oc1ccccc1)c1cccc2nonc21 ZINC000001032619 557147861 /nfs/dbraw/zinc/14/78/61/557147861.db2.gz LTFQAJVCSWHYSD-UHFFFAOYSA-N -1 3 415.858 4.147 50 0 HIAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NC1CCCCC1 ZINC000001077551 557174376 /nfs/dbraw/zinc/17/43/76/557174376.db2.gz OAHOMOPIIKWBPO-UHFFFAOYSA-N -1 3 408.527 4.181 50 0 HIAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001444228 557265511 /nfs/dbraw/zinc/26/55/11/557265511.db2.gz XIMHZXABXCVVEZ-UHFFFAOYSA-N -1 3 418.824 4.286 50 0 HIAAHM Cc1cc([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)no1 ZINC000001517216 557271094 /nfs/dbraw/zinc/27/10/94/557271094.db2.gz JIZSNLTXQIFHCV-UHFFFAOYSA-N -1 3 411.727 4.210 50 0 HIAAHM Cc1ccc(C(=O)NC(=Cc2ccc(Br)cc2)c2n[nH]c(=S)[n-]2)cc1 ZINC000008667023 557799531 /nfs/dbraw/zinc/79/95/31/557799531.db2.gz FQHKOFCTJHKJLZ-GDNBJRDFSA-N -1 3 415.316 4.092 50 0 HIAAHM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@]1([N-]c1ccccn1)C(F)(F)F ZINC000019939312 558313419 /nfs/dbraw/zinc/31/34/19/558313419.db2.gz KOXKQRAWCPUFDA-NRFANRHFSA-N -1 3 410.399 4.241 50 0 HIAAHM CCC[C@H](C)NC(=O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012787481 558463429 /nfs/dbraw/zinc/46/34/29/558463429.db2.gz MUFMRWSBTFZRKU-ZDUSSCGKSA-N -1 3 401.557 4.190 50 0 HIAAHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccc(C(C)(C)C)cc3)nc(=O)c2c1C ZINC000023295970 558548030 /nfs/dbraw/zinc/54/80/30/558548030.db2.gz CBEUZUXSSVTULA-UHFFFAOYSA-N -1 3 413.543 4.009 50 0 HIAAHM O=c1[n-]c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2c3ccccc3oc21 ZINC000024821861 558613659 /nfs/dbraw/zinc/61/36/59/558613659.db2.gz VEBJLOIWRIBJGG-MRXNPFEDSA-N -1 3 403.438 4.190 50 0 HIAAHM Cc1cc([N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)CC3)on1 ZINC000014706456 558664415 /nfs/dbraw/zinc/66/44/15/558664415.db2.gz PHDLTIJDOHKXBM-HNNXBMFYSA-N -1 3 421.497 4.478 50 0 HIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)sc2c1CCC2 ZINC000027749634 558681870 /nfs/dbraw/zinc/68/18/70/558681870.db2.gz PCXOLIZFJLSJNG-UHFFFAOYSA-N -1 3 400.431 4.378 50 0 HIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4c(C)cc(C)cc4o3)on2)cc1OC ZINC000027986007 558687334 /nfs/dbraw/zinc/68/73/34/558687334.db2.gz KSLMPDGJXDGFCZ-UHFFFAOYSA-N -1 3 420.421 4.334 50 0 HIAAHM COc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000015800586 558753986 /nfs/dbraw/zinc/75/39/86/558753986.db2.gz KFLCEMFAEJNCAH-BOPFTXTBSA-N -1 3 405.859 4.130 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c(C)c1 ZINC000033115413 558761500 /nfs/dbraw/zinc/76/15/00/558761500.db2.gz FRIMEEOFCNRBIA-UHFFFAOYSA-N -1 3 412.555 4.195 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000016293471 558784385 /nfs/dbraw/zinc/78/43/85/558784385.db2.gz HPSSKCQZXYGJLB-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000016293407 558784490 /nfs/dbraw/zinc/78/44/90/558784490.db2.gz KVNMQKQJJVXAND-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM COc1cc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1[O-] ZINC000035615887 558794506 /nfs/dbraw/zinc/79/45/06/558794506.db2.gz KHJGCLCFZMONDT-UHFFFAOYSA-N -1 3 405.410 4.196 50 0 HIAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000033114018 558875909 /nfs/dbraw/zinc/87/59/09/558875909.db2.gz RDJIKCIDLZUZHO-UHFFFAOYSA-N -1 3 416.503 4.011 50 0 HIAAHM O=S(=O)([N-]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000058176654 558909686 /nfs/dbraw/zinc/90/96/86/558909686.db2.gz KMOBMOBPVJAHPY-ZDUSSCGKSA-N -1 3 418.868 4.164 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(Br)c1 ZINC000096171045 559100930 /nfs/dbraw/zinc/10/09/30/559100930.db2.gz IMCCSNVNMKNICT-UHFFFAOYSA-N -1 3 423.101 4.460 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000136627681 559277826 /nfs/dbraw/zinc/27/78/26/559277826.db2.gz KLLBZQNNBYKXME-PWRODBHTSA-N -1 3 404.853 4.391 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000137391201 559280055 /nfs/dbraw/zinc/28/00/55/559280055.db2.gz AKDBBUXGUHMDLV-PCCBWWKXSA-N -1 3 420.852 4.097 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccc(Cl)c(Cl)c1 ZINC000143587685 560542714 /nfs/dbraw/zinc/54/27/14/560542714.db2.gz XOGPKSZIPVZNBU-FGTMMUONSA-N -1 3 405.281 4.472 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 ZINC000005275026 560561614 /nfs/dbraw/zinc/56/16/14/560561614.db2.gz HLOVSYPBWTWEGN-KXBFYZLASA-N -1 3 401.413 4.458 50 0 HIAAHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc3c2N1CCC3 ZINC000017190916 560703384 /nfs/dbraw/zinc/70/33/84/560703384.db2.gz VMRCENDDCUETTB-UHFFFAOYSA-N -1 3 420.490 4.115 50 0 HIAAHM COc1ccc(-n2c(SC(C(C)=O)=C(C)[O-])nnc2-c2c[nH]c3ccccc32)cc1 ZINC000100830541 560759465 /nfs/dbraw/zinc/75/94/65/560759465.db2.gz RHZKJHFIYWAIBC-UHFFFAOYSA-N -1 3 420.494 4.063 50 0 HIAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc3c2N(CCC3)C1=O ZINC000102655097 560819089 /nfs/dbraw/zinc/81/90/89/560819089.db2.gz VYVGUBKNUQQHJK-SNVBAGLBSA-N -1 3 411.310 4.191 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1C ZINC000102663071 560819303 /nfs/dbraw/zinc/81/93/03/560819303.db2.gz AOEICVJWOJBSDO-DNVJHFABSA-N -1 3 416.452 4.494 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102757986 560825989 /nfs/dbraw/zinc/82/59/89/560825989.db2.gz NSWXOHWQFKYLJZ-RJGXRXQPSA-N -1 3 414.461 4.136 50 0 HIAAHM O=c1oc2ccccc2c(NC2CCCC2)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045962167 568422954 /nfs/dbraw/zinc/42/29/54/568422954.db2.gz XAQIOAWTTNZKER-UHFFFAOYSA-N -1 3 420.437 4.227 50 0 HIAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc(OC)ccc2OC)c1 ZINC000046057369 568426221 /nfs/dbraw/zinc/42/62/21/568426221.db2.gz VCARGOZXNBWZEQ-LJQANCHMSA-N -1 3 419.481 4.069 50 0 HIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)N1 ZINC000000653463 568459683 /nfs/dbraw/zinc/45/96/83/568459683.db2.gz LUPCFXMBSKFJQX-FQEVSTJZSA-N -1 3 418.371 4.485 50 0 HIAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc21 ZINC000020509653 568620691 /nfs/dbraw/zinc/62/06/91/568620691.db2.gz XAQVDJMOCMMPLV-HNNXBMFYSA-N -1 3 404.557 4.260 50 0 HIAAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000226830229 568698000 /nfs/dbraw/zinc/69/80/00/568698000.db2.gz ILPVRDSCXQFLTK-BHDDXSALSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1cc(Cl)ccc1NC(=O)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097161412 568768970 /nfs/dbraw/zinc/76/89/70/568768970.db2.gz ZVRJAEABNIPIMT-UHFFFAOYSA-N -1 3 412.852 4.128 50 0 HIAAHM Cc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1C ZINC000002928127 568817756 /nfs/dbraw/zinc/81/77/56/568817756.db2.gz RIWKLONCMYHZHG-UHFFFAOYSA-N -1 3 406.573 4.088 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N1CCc2ccccc2C1 ZINC000015339196 568877030 /nfs/dbraw/zinc/87/70/30/568877030.db2.gz QOHAGZQTWWZQIT-UHFFFAOYSA-N -1 3 424.497 4.133 50 0 HIAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cc(F)c(F)cc1Cl ZINC000003318785 568879976 /nfs/dbraw/zinc/87/99/76/568879976.db2.gz WBAGWNMEJGPLCH-UHFFFAOYSA-N -1 3 410.829 4.152 50 0 HIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000003361087 568888123 /nfs/dbraw/zinc/88/81/23/568888123.db2.gz ZECIEAGYYNLBFO-GOSISDBHSA-N -1 3 420.962 4.224 50 0 HIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000003368780 568889441 /nfs/dbraw/zinc/88/94/41/568889441.db2.gz QBWBIEMFIQEJPA-MRXNPFEDSA-N -1 3 410.333 4.204 50 0 HIAAHM CC1CCN(C(=O)CSCc2nc(=O)c3c(-c4cccs4)csc3[n-]2)CC1 ZINC000012781927 568958284 /nfs/dbraw/zinc/95/82/84/568958284.db2.gz LTEXEKGYTCMVFP-UHFFFAOYSA-N -1 3 419.597 4.205 50 0 HIAAHM O=c1nc(CSc2nnc(NC3CC3)s2)[n-]c2scc(-c3ccccc3)c21 ZINC000008013710 568968611 /nfs/dbraw/zinc/96/86/11/568968611.db2.gz FPQYAOJSFHAJTI-UHFFFAOYSA-N -1 3 413.553 4.370 50 0 HIAAHM COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3cccs3)[n-]c2=S)c1 ZINC000008151134 568977474 /nfs/dbraw/zinc/97/74/74/568977474.db2.gz FEMPSKOOYVSSCF-HNNXBMFYSA-N -1 3 402.545 4.481 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664616 569006497 /nfs/dbraw/zinc/00/64/97/569006497.db2.gz VCAGBAWMXNSKED-UHFFFAOYSA-N -1 3 421.853 4.289 50 0 HIAAHM CCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc2c1nc[n-]c2=O ZINC000085703864 569007018 /nfs/dbraw/zinc/00/70/18/569007018.db2.gz AGHGRERNIHNELR-UHFFFAOYSA-N -1 3 401.879 4.049 50 0 HIAAHM CC(=O)NCc1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccc4)on3)n2)s1 ZINC000012864552 569011992 /nfs/dbraw/zinc/01/19/92/569011992.db2.gz XQKZWOKSWGEZDK-UHFFFAOYSA-N -1 3 424.507 4.415 50 0 HIAAHM O=C(c1cccs1)c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000090610598 569042849 /nfs/dbraw/zinc/04/28/49/569042849.db2.gz NFBFXKCWPBAZAJ-UHFFFAOYSA-N -1 3 415.920 4.312 50 0 HIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000135841899 569053615 /nfs/dbraw/zinc/05/36/15/569053615.db2.gz YDFNFNCLYUEFQC-RJGXRXQPSA-N -1 3 416.452 4.439 50 0 HIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000135950181 569053687 /nfs/dbraw/zinc/05/36/87/569053687.db2.gz RUFOYNQSJVCYMU-RJGXRXQPSA-N -1 3 414.461 4.006 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)cc1 ZINC000245309707 569055729 /nfs/dbraw/zinc/05/57/29/569055729.db2.gz FSJBFYBIIHAIFO-DNVJHFABSA-N -1 3 414.461 4.055 50 0 HIAAHM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690129 569070592 /nfs/dbraw/zinc/07/05/92/569070592.db2.gz RUPGJZYOWPEEAK-JKDFXYPNSA-N -1 3 406.502 4.404 50 0 HIAAHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCc2ccccc21 ZINC000006788200 569122428 /nfs/dbraw/zinc/12/24/28/569122428.db2.gz HPSYQOVUGPNRFB-GFCCVEGCSA-N -1 3 400.504 4.491 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)cc1 ZINC000065115769 569179681 /nfs/dbraw/zinc/17/96/81/569179681.db2.gz ITJNVTHVBNORLO-UHFFFAOYSA-N -1 3 413.499 4.280 50 0 HIAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccc(Cl)cc3)n2)cc1 ZINC000006915736 569181119 /nfs/dbraw/zinc/18/11/19/569181119.db2.gz UJTQYPFIDUGCHF-UHFFFAOYSA-N -1 3 412.902 4.218 50 0 HIAAHM CC(C)NC(=O)CSCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000007049999 569211903 /nfs/dbraw/zinc/21/19/03/569211903.db2.gz JBBPJEGUMQSCCF-UHFFFAOYSA-N -1 3 407.948 4.063 50 0 HIAAHM COc1cc(C2(C[N-]S(=O)(=O)c3cccs3)CCCC2)ccc1OC(F)F ZINC000014101165 569258655 /nfs/dbraw/zinc/25/86/55/569258655.db2.gz YBJLQATWNOJOHP-UHFFFAOYSA-N -1 3 417.499 4.148 50 0 HIAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)n1 ZINC000017013888 569271664 /nfs/dbraw/zinc/27/16/64/569271664.db2.gz MOCCAZLFVNFSIN-UHFFFAOYSA-N -1 3 417.922 4.049 50 0 HIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 ZINC000002871716 569278166 /nfs/dbraw/zinc/27/81/66/569278166.db2.gz IKUKXSPDEQDZDS-UHFFFAOYSA-N -1 3 416.543 4.014 50 0 HIAAHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000253432855 569370178 /nfs/dbraw/zinc/37/01/78/569370178.db2.gz OVCAQWMCGRAJMS-MRXNPFEDSA-N -1 3 414.364 4.291 50 0 HIAAHM CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N3)CC1 ZINC000585655759 569389877 /nfs/dbraw/zinc/38/98/77/569389877.db2.gz DPVIJESWJNKBMH-ZDUSSCGKSA-N -1 3 407.301 4.199 50 0 HIAAHM Cc1cc(C)nc(SCc2ccc(C(=O)[N-]c3nnc(CC(C)C)s3)o2)n1 ZINC000079492645 569432535 /nfs/dbraw/zinc/43/25/35/569432535.db2.gz ANWPEMIGSWZJGN-UHFFFAOYSA-N -1 3 403.533 4.281 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(C)c3)cc2CCC1=O ZINC000008840771 571123727 /nfs/dbraw/zinc/12/37/27/571123727.db2.gz IHCXSWAKHSZSEX-UHFFFAOYSA-N -1 3 416.543 4.274 50 0 HIAAHM CCOC(=O)c1sc(N)c([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c1C ZINC000009453210 571260149 /nfs/dbraw/zinc/26/01/49/571260149.db2.gz HRPHOJOLEDJJIK-MRXNPFEDSA-N -1 3 416.446 4.223 50 0 HIAAHM CC(=O)Nc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000009465549 571260902 /nfs/dbraw/zinc/26/09/02/571260902.db2.gz YUOMNRWAVOSARM-UHFFFAOYSA-N -1 3 417.491 4.110 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000009479448 571261935 /nfs/dbraw/zinc/26/19/35/571261935.db2.gz YBKYVFOTUVSZFS-IBGZPJMESA-N -1 3 424.840 4.173 50 0 HIAAHM CCc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000009490238 571262679 /nfs/dbraw/zinc/26/26/79/571262679.db2.gz AYILEIIMDZPEMT-UHFFFAOYSA-N -1 3 424.913 4.300 50 0 HIAAHM CCc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)c1ccc(Cl)cc1 ZINC000009490238 571262680 /nfs/dbraw/zinc/26/26/80/571262680.db2.gz AYILEIIMDZPEMT-UHFFFAOYSA-N -1 3 424.913 4.300 50 0 HIAAHM CCOc1ccc2nc(NC(=O)CSc3n[n-]c(-c4cccs4)n3)sc2c1 ZINC000009669416 571278417 /nfs/dbraw/zinc/27/84/17/571278417.db2.gz CMEWDYDCAQAIIX-UHFFFAOYSA-N -1 3 417.541 4.272 50 0 HIAAHM Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1C(C)C ZINC000010292621 571299541 /nfs/dbraw/zinc/29/95/41/571299541.db2.gz CTNOMVDRRUUFCZ-UHFFFAOYSA-N -1 3 410.514 4.080 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)/C=C\c3ccco3)c2)cc1 ZINC000033392313 848134622 /nfs/dbraw/zinc/13/46/22/848134622.db2.gz DJZZVUJQUJKZDD-BENRWUELSA-N -1 3 412.467 4.049 50 0 HIAAHM O=c1[n-]c(C=Cc2cnn(Cc3ccccc3)c2)nc2c1CCN(Cc1ccccc1)C2 ZINC000089841026 852545191 /nfs/dbraw/zinc/54/51/91/852545191.db2.gz DLVXWDZIGMQEBE-VAWYXSNFSA-N -1 3 423.520 4.156 50 0 HIAAHM O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1ccc([O-])c(Br)c1 ZINC000096759181 852554975 /nfs/dbraw/zinc/55/49/75/852554975.db2.gz SXBMUWMYZYZBNC-XFFZJAGNSA-N -1 3 403.663 4.462 50 0 HIAAHM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000005099625 132301179 /nfs/dbraw/zinc/30/11/79/132301179.db2.gz FWVLKDNQPPIUFX-UHFFFAOYSA-N -1 3 416.499 4.281 50 0 HIAAHM O=c1nc(CN2CCN(c3ccccc3F)CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000012778236 132367060 /nfs/dbraw/zinc/36/70/60/132367060.db2.gz XAVWGGSDGJBHGP-UHFFFAOYSA-N -1 3 420.513 4.113 50 0 HIAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032094196 527573010 /nfs/dbraw/zinc/57/30/10/527573010.db2.gz ZWRLHAPJEPAPBC-LLVKDONJSA-N -1 3 402.241 4.236 50 0 HIAAHM COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc(Cl)c1[O-] ZINC000000694465 557061537 /nfs/dbraw/zinc/06/15/37/557061537.db2.gz WRTZYORNBBWFMQ-INIZCTEOSA-N -1 3 402.863 4.131 50 0 HIAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000001151955 557211618 /nfs/dbraw/zinc/21/16/18/557211618.db2.gz ICGHLBCDLMHWMX-PSLIRLAXSA-N -1 3 413.223 4.400 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c(C)c1 ZINC000002988847 557437282 /nfs/dbraw/zinc/43/72/82/557437282.db2.gz YOVALLLCKIYQSE-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000003376875 557481237 /nfs/dbraw/zinc/48/12/37/557481237.db2.gz DHEISSHIVUVLEZ-UHFFFAOYSA-N -1 3 410.495 4.067 50 0 HIAAHM COC(=O)c1cccc(-c2ccc(/C=C3/[N-]C(=O)N(c4ccccc4)C3=O)o2)c1C ZINC000004593017 557570519 /nfs/dbraw/zinc/57/05/19/557570519.db2.gz TXFURNCNFCDDDN-CPNJWEJPSA-N -1 3 402.406 4.139 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000004880684 557609471 /nfs/dbraw/zinc/60/94/71/557609471.db2.gz GAIRBTBNHGKMEC-UHFFFAOYSA-N -1 3 414.439 4.049 50 0 HIAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000006553302 557707479 /nfs/dbraw/zinc/70/74/79/557707479.db2.gz FHUJBPFQMOKOCW-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@@]1([N-]c1ccccn1)C(F)(F)F ZINC000019939314 558313504 /nfs/dbraw/zinc/31/35/04/558313504.db2.gz KOXKQRAWCPUFDA-OAQYLSRUSA-N -1 3 410.399 4.241 50 0 HIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3ncccc32)ccc1Cl ZINC000022366128 558483526 /nfs/dbraw/zinc/48/35/26/558483526.db2.gz NCQZWOWCTHOBIF-UHFFFAOYSA-N -1 3 417.918 4.217 50 0 HIAAHM COc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000013127314 558519016 /nfs/dbraw/zinc/51/90/16/558519016.db2.gz KTHZVGNXUKGITL-MOPGFXCFSA-N -1 3 415.453 4.278 50 0 HIAAHM COc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc([N-]C(=O)c4ccco4)nn32)cc1 ZINC000013127315 558519027 /nfs/dbraw/zinc/51/90/27/558519027.db2.gz KTHZVGNXUKGITL-RTBURBONSA-N -1 3 415.453 4.278 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000013495754 558535088 /nfs/dbraw/zinc/53/50/88/558535088.db2.gz DIHPZIHCEUWTBJ-UHFFFAOYSA-N -1 3 422.462 4.495 50 0 HIAAHM COc1ccccc1[C@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000013572964 558542666 /nfs/dbraw/zinc/54/26/66/558542666.db2.gz RLCPTSKFDPWIAJ-FQEVSTJZSA-N -1 3 423.432 4.186 50 0 HIAAHM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024891729 558619361 /nfs/dbraw/zinc/61/93/61/558619361.db2.gz ZUTHLNWMYFFYOX-UHFFFAOYSA-N -1 3 421.931 4.396 50 0 HIAAHM CCCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000024970023 558623051 /nfs/dbraw/zinc/62/30/51/558623051.db2.gz SSRMSYPDUFPELU-UHFFFAOYSA-N -1 3 412.559 4.133 50 0 HIAAHM CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000026549295 558662976 /nfs/dbraw/zinc/66/29/76/558662976.db2.gz QMUXAKJNPKCIST-UHFFFAOYSA-N -1 3 416.543 4.002 50 0 HIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)sc2c1CCC2 ZINC000027792877 558682398 /nfs/dbraw/zinc/68/23/98/558682398.db2.gz KBSQRMUMSHCBRE-NSHDSACASA-N -1 3 424.478 4.254 50 0 HIAAHM COC(=O)c1ccccc1Nc1c(-c2cc(OC)c([O-])c(OC)c2)nc2ccccn21 ZINC000035606451 558794188 /nfs/dbraw/zinc/79/41/88/558794188.db2.gz DPZNZDPOHNFTOH-UHFFFAOYSA-N -1 3 419.437 4.254 50 0 HIAAHM COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c1[O-] ZINC000055543373 558882101 /nfs/dbraw/zinc/88/21/01/558882101.db2.gz BYFSAKLIOWWFHQ-UHFFFAOYSA-N -1 3 411.727 4.139 50 0 HIAAHM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)OCC(=O)Nc3ccccc3[O-])c12 ZINC000058179591 558910127 /nfs/dbraw/zinc/91/01/27/558910127.db2.gz RIBNXUXCVBLKDZ-UHFFFAOYSA-N -1 3 417.421 4.008 50 0 HIAAHM CCCC(=O)Nc1ccc2nc(N3CCN(C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260603 558926317 /nfs/dbraw/zinc/92/63/17/558926317.db2.gz VHSAXIODXBVFSD-UHFFFAOYSA-N -1 3 424.545 4.126 50 0 HIAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1)c1ccccn1 ZINC000058649939 558929154 /nfs/dbraw/zinc/92/91/54/558929154.db2.gz IXHCGJXBIHHIEF-UHFFFAOYSA-N -1 3 422.293 4.442 50 0 in-vitro HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(Br)c1 ZINC000095067903 559079152 /nfs/dbraw/zinc/07/91/52/559079152.db2.gz SHQNEZBTQJEGNX-UHFFFAOYSA-N -1 3 423.101 4.460 50 0 HIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32C)cc1 ZINC000004899249 559199184 /nfs/dbraw/zinc/19/91/84/559199184.db2.gz GBDLERWZMUYQPR-SGIRGMQISA-N -1 3 414.461 4.136 50 0 HIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32C)cc1 ZINC000004899250 559199190 /nfs/dbraw/zinc/19/91/90/559199190.db2.gz GBDLERWZMUYQPR-FBLLAGFSSA-N -1 3 414.461 4.136 50 0 HIAAHM O=C(NC1CCCCC1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000017357318 560709903 /nfs/dbraw/zinc/70/99/03/560709903.db2.gz GRJUHEZTWYVCNY-UHFFFAOYSA-N -1 3 410.898 4.342 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1O)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000017715164 560723825 /nfs/dbraw/zinc/72/38/25/560723825.db2.gz LJTSVVCZCPSMJB-LJQANCHMSA-N -1 3 421.474 4.135 50 0 HIAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)c1 ZINC000101264423 560789578 /nfs/dbraw/zinc/78/95/78/560789578.db2.gz LTLGWXSSEIRPKA-PCCBWWKXSA-N -1 3 404.491 4.416 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000102726777 560821839 /nfs/dbraw/zinc/82/18/39/560821839.db2.gz OAEOLBCEEPGHDO-JFIYKMOQSA-N -1 3 405.281 4.472 50 0 HIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)c1 ZINC000102716028 560823328 /nfs/dbraw/zinc/82/33/28/560823328.db2.gz PJHSNMLQMDNNBY-RJGXRXQPSA-N -1 3 414.461 4.055 50 0 HIAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012226284 560894975 /nfs/dbraw/zinc/89/49/75/560894975.db2.gz HIPDSFZUPGZUBV-UHFFFAOYSA-N -1 3 418.906 4.382 50 0 HIAAHM O=c1oc2ccccc2c(NC2CCCCC2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000045962146 568422825 /nfs/dbraw/zinc/42/28/25/568422825.db2.gz IKOZMMIXDZDWSL-UHFFFAOYSA-N -1 3 416.474 4.478 50 0 HIAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000095472260 568627487 /nfs/dbraw/zinc/62/74/87/568627487.db2.gz FNQGRMQYUHFCHU-HNNXBMFYSA-N -1 3 404.415 4.065 50 0 HIAAHM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c(C)n1C ZINC000021154493 568673405 /nfs/dbraw/zinc/67/34/05/568673405.db2.gz DDINHZJVDWOTHC-UHFFFAOYSA-N -1 3 423.966 4.112 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000229930131 568716065 /nfs/dbraw/zinc/71/60/65/568716065.db2.gz AXIORQHCBDQORL-BHDDXSALSA-N -1 3 418.449 4.120 50 0 HIAAHM Cc1c(Cl)cccc1S(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000055558365 568779299 /nfs/dbraw/zinc/77/92/99/568779299.db2.gz LNWZZEZUVXLMRT-UHFFFAOYSA-N -1 3 400.209 4.021 50 0 HIAAHM COc1ccc([C@H]2CCCN2Cc2nc3c4ccccc4oc3c(=O)[n-]2)c(OC)c1 ZINC000028726188 568804087 /nfs/dbraw/zinc/80/40/87/568804087.db2.gz IHWFFEISYWINKI-QGZVFWFLSA-N -1 3 405.454 4.436 50 0 HIAAHM Cc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)c(C)c1 ZINC000002928060 568817811 /nfs/dbraw/zinc/81/78/11/568817811.db2.gz MFCLSOLYONIPEP-UHFFFAOYSA-N -1 3 406.573 4.088 50 0 HIAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCc1ccccc1 ZINC000002949178 568820488 /nfs/dbraw/zinc/82/04/88/568820488.db2.gz WHGKHULSFMJWRD-UHFFFAOYSA-N -1 3 407.524 4.351 50 0 HIAAHM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)c(C)c1 ZINC000004077965 568938681 /nfs/dbraw/zinc/93/86/81/568938681.db2.gz CTZHPKPBXAYKSI-UHFFFAOYSA-N -1 3 404.542 4.200 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc1 ZINC000001424652 568938894 /nfs/dbraw/zinc/93/88/94/568938894.db2.gz MBSWGRVJHKOESI-UHFFFAOYSA-N -1 3 411.405 4.009 50 0 HIAAHM Cc1nc(C)c(CCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(=O)[n-]1 ZINC000012775310 568954237 /nfs/dbraw/zinc/95/42/37/568954237.db2.gz XRJKTCNPXJPGMV-UHFFFAOYSA-N -1 3 410.543 4.379 50 0 HIAAHM O=c1nc(CSc2nnc3n2CCCCC3)[n-]c2scc(-c3ccccc3)c21 ZINC000008134323 568976520 /nfs/dbraw/zinc/97/65/20/568976520.db2.gz OUPLQGCZDOIZDN-UHFFFAOYSA-N -1 3 409.540 4.262 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)cc1 ZINC000008195464 568982300 /nfs/dbraw/zinc/98/23/00/568982300.db2.gz CDEZTHRYDZHQNA-UHFFFAOYSA-N -1 3 416.524 4.129 50 0 HIAAHM Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000015783821 569003371 /nfs/dbraw/zinc/00/33/71/569003371.db2.gz VLYPDJGQUHMBNW-UHFFFAOYSA-N -1 3 416.952 4.494 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000226933449 569039927 /nfs/dbraw/zinc/03/99/27/569039927.db2.gz ZVNFNZGPNULSLH-KMDXXIMOSA-N -1 3 421.456 4.286 50 0 HIAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000238950465 569053935 /nfs/dbraw/zinc/05/39/35/569053935.db2.gz YDFNFNCLYUEFQC-XPWALMASSA-N -1 3 416.452 4.439 50 0 HIAAHM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690130 569070584 /nfs/dbraw/zinc/07/05/84/569070584.db2.gz RUPGJZYOWPEEAK-QFSBIZTOSA-N -1 3 406.502 4.404 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2CCC1=O ZINC000064747914 569089210 /nfs/dbraw/zinc/08/92/10/569089210.db2.gz DGTNUXUPNJLTSQ-UHFFFAOYSA-N -1 3 400.544 4.375 50 0 HIAAHM Cc1ccnc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)c1 ZINC000006760087 569113378 /nfs/dbraw/zinc/11/33/78/569113378.db2.gz LLLWXBGJONFQEB-FQEVSTJZSA-N -1 3 414.387 4.143 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1Cl ZINC000169679758 569126889 /nfs/dbraw/zinc/12/68/89/569126889.db2.gz ARLOYYNQWRYBCI-PCCBWWKXSA-N -1 3 419.868 4.095 50 0 HIAAHM O=S(=O)([N-]c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-n2cccn2)cc1 ZINC000006887406 569170810 /nfs/dbraw/zinc/17/08/10/569170810.db2.gz DETGDXCVPGAWSM-UHFFFAOYSA-N -1 3 415.478 4.216 50 0 HIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccccc1Cl ZINC000006914527 569180047 /nfs/dbraw/zinc/18/00/47/569180047.db2.gz UYVXNWPTDFBQOM-UHFFFAOYSA-N -1 3 402.892 4.061 50 0 HIAAHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000065488191 569231884 /nfs/dbraw/zinc/23/18/84/569231884.db2.gz KMOBMOBPVJAHPY-CYBMUJFWSA-N -1 3 418.868 4.164 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1Cl ZINC000038670857 571060751 /nfs/dbraw/zinc/06/07/51/571060751.db2.gz IMHIUINQDNPRGR-UHFFFAOYSA-N -1 3 405.863 4.040 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3)c2)c(C)c1 ZINC000008686842 571101604 /nfs/dbraw/zinc/10/16/04/571101604.db2.gz CDAUPPSBFIGVNB-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccn2)cs1 ZINC000008777779 571118129 /nfs/dbraw/zinc/11/81/29/571118129.db2.gz UWRGJOAZECQGEY-IFXJQAMLSA-N -1 3 416.428 4.243 50 0 HIAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC)cc1C ZINC000008840600 571123563 /nfs/dbraw/zinc/12/35/63/571123563.db2.gz GFLFNRMDGQTRQO-UHFFFAOYSA-N -1 3 416.543 4.274 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1C ZINC000008840843 571124167 /nfs/dbraw/zinc/12/41/67/571124167.db2.gz BVNDDPQICWVPEQ-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(C)cc1 ZINC000040115415 571172975 /nfs/dbraw/zinc/17/29/75/571172975.db2.gz MMZALAXOLYDCHA-GOSISDBHSA-N -1 3 415.490 4.144 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000008961465 571189785 /nfs/dbraw/zinc/18/97/85/571189785.db2.gz NPWQODJYRWBHAA-UHFFFAOYSA-N -1 3 408.479 4.487 50 0 HIAAHM CCc1nnc([N-]C(=O)c2ccc(COc3ccc(Br)cc3)o2)s1 ZINC000040140293 571191559 /nfs/dbraw/zinc/19/15/59/571191559.db2.gz LKZDBROVPGTAGT-UHFFFAOYSA-N -1 3 408.277 4.287 50 0 HIAAHM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000040152628 571200329 /nfs/dbraw/zinc/20/03/29/571200329.db2.gz BREJORDVNZMRDB-RYUDHWBXSA-N -1 3 416.877 4.033 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)c1 ZINC000245297249 571223582 /nfs/dbraw/zinc/22/35/82/571223582.db2.gz RTQARWZCOFVKLT-IIMJZQEZSA-N -1 3 412.452 4.383 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2OCC(C)(C)C1=O ZINC000009167588 571233233 /nfs/dbraw/zinc/23/32/33/571233233.db2.gz BDRHKHHORJGMOI-UHFFFAOYSA-N -1 3 416.543 4.266 50 0 HIAAHM CCOC(=O)C(=Cc1ccc(SC)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006612610 845214974 /nfs/dbraw/zinc/21/49/74/845214974.db2.gz KQYVKKBLFODQID-GDNBJRDFSA-N -1 3 400.525 4.427 50 0 HIAAHM COC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000096382318 852548736 /nfs/dbraw/zinc/54/87/36/852548736.db2.gz YCTPCIHBRHEANB-UHFFFAOYSA-N -1 3 402.560 4.400 50 0 HIAAHM COc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000096662784 852553708 /nfs/dbraw/zinc/55/37/08/852553708.db2.gz HURZHTBMGODCEM-OQLLNIDSSA-N -1 3 420.284 4.361 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)ccc1F ZINC000005099615 132301101 /nfs/dbraw/zinc/30/11/01/132301101.db2.gz GYNVWLBNMIOJPO-UHFFFAOYSA-N -1 3 414.458 4.121 50 0 HIAAHM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000005099570 132301133 /nfs/dbraw/zinc/30/11/33/132301133.db2.gz CPTADKWOYNRYTG-UHFFFAOYSA-N -1 3 410.539 4.055 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1C ZINC000005136573 132302793 /nfs/dbraw/zinc/30/27/93/132302793.db2.gz YEFYJCFTPYOOEN-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccccc1 ZINC000001128537 523335954 /nfs/dbraw/zinc/33/59/54/523335954.db2.gz FWAILVCGWZFBNJ-JOCHJYFZSA-N -1 3 424.522 4.430 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000000674233 557051025 /nfs/dbraw/zinc/05/10/25/557051025.db2.gz OVQQVTPUQWKCOM-UHFFFAOYSA-N -1 3 414.458 4.278 50 0 HIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c(C)c1 ZINC000001003644 557140140 /nfs/dbraw/zinc/14/01/40/557140140.db2.gz ZGNWCVHBWHKMBO-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1)NC1CCCCC1 ZINC000001223757 557248458 /nfs/dbraw/zinc/24/84/58/557248458.db2.gz CHGCKPSMEWOOFY-UHFFFAOYSA-N -1 3 422.554 4.240 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000002602335 557359468 /nfs/dbraw/zinc/35/94/68/557359468.db2.gz QBVIKMOVRVHOLB-UHFFFAOYSA-N -1 3 414.439 4.178 50 0 HIAAHM COc1ccccc1[C@@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000005345045 557645837 /nfs/dbraw/zinc/64/58/37/557645837.db2.gz IUNHITWZFDTOGO-LJQANCHMSA-N -1 3 412.405 4.384 50 0 HIAAHM Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1Cl ZINC000009199421 557828804 /nfs/dbraw/zinc/82/88/04/557828804.db2.gz AMBXGDAQZNKLCJ-NSHDSACASA-N -1 3 418.931 4.334 50 0 HIAAHM CCCOc1ccc(-c2cc(CSc3nc4c(nc[n-]c4=O)n3C)c(C)o2)cc1 ZINC000012411349 558400748 /nfs/dbraw/zinc/40/07/48/558400748.db2.gz XGEICNUIZGEUAN-UHFFFAOYSA-N -1 3 410.499 4.306 50 0 biogenic,in-vitro HIAAHM [O-][C@]1(C(F)(F)F)C=C(C2CC2)NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643069 558556052 /nfs/dbraw/zinc/55/60/52/558556052.db2.gz HSKJQZMAAQIBSL-AWEZNQCLSA-N -1 3 422.354 4.451 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000013811229 558595733 /nfs/dbraw/zinc/59/57/33/558595733.db2.gz SCLQDEBYMGJAFU-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc(CSc3ccccc3)o2)c1 ZINC000028435356 558701141 /nfs/dbraw/zinc/70/11/41/558701141.db2.gz ZKHUMIDSVZGRJP-UHFFFAOYSA-N -1 3 405.472 4.367 50 0 HIAAHM CC(C)N(C(=O)[C@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000028882268 558706756 /nfs/dbraw/zinc/70/67/56/558706756.db2.gz FTFZUBXJINIKEY-INIZCTEOSA-N -1 3 421.538 4.072 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)c(C)c1 ZINC000033115265 558761264 /nfs/dbraw/zinc/76/12/64/558761264.db2.gz YZCRSQGJBLNTPW-UHFFFAOYSA-N -1 3 414.571 4.298 50 0 HIAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c(C)c1 ZINC000033171264 558900116 /nfs/dbraw/zinc/90/01/16/558900116.db2.gz LDFCFWAQTQZUOH-UHFFFAOYSA-N -1 3 413.499 4.189 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000135632684 559276262 /nfs/dbraw/zinc/27/62/62/559276262.db2.gz TYJWFNFJWIQGNP-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000137958400 559281433 /nfs/dbraw/zinc/28/14/33/559281433.db2.gz SCLQDEBYMGJAFU-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000005204352 560538511 /nfs/dbraw/zinc/53/85/11/560538511.db2.gz ZKELWWWQCJPMBV-UHFFFAOYSA-N -1 3 419.506 4.112 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 ZINC000005275024 560561622 /nfs/dbraw/zinc/56/16/22/560561622.db2.gz HLOVSYPBWTWEGN-BEFAXECRSA-N -1 3 401.413 4.458 50 0 HIAAHM COc1cc(SC)ccc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005358266 560626074 /nfs/dbraw/zinc/62/60/74/560626074.db2.gz RIZYAMBERZEIKY-JTQLQIEISA-N -1 3 404.513 4.250 50 0 HIAAHM CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000005645011 560636171 /nfs/dbraw/zinc/63/61/71/560636171.db2.gz ZVGAGVCLDFPYAA-KSSFIOAISA-N -1 3 417.531 4.129 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102724374 560821718 /nfs/dbraw/zinc/82/17/18/560821718.db2.gz PDRWURHQLPIHQI-PCCBWWKXSA-N -1 3 420.490 4.198 50 0 HIAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000102733298 560822687 /nfs/dbraw/zinc/82/26/87/560822687.db2.gz BGMVTEUMGWDEOV-YMPZKCBVSA-N -1 3 416.452 4.494 50 0 HIAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c(OC)c1 ZINC000102749922 560824406 /nfs/dbraw/zinc/82/44/06/560824406.db2.gz LFVLZNCZQBASAJ-WYRIXSBYSA-N -1 3 408.414 4.309 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000102763466 560824975 /nfs/dbraw/zinc/82/49/75/560824975.db2.gz QUFAJEFNCKOFAQ-BHIFYINESA-N -1 3 420.415 4.324 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000102767330 560825138 /nfs/dbraw/zinc/82/51/38/560825138.db2.gz SCLQDEBYMGJAFU-PWRODBHTSA-N -1 3 406.388 4.016 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000102861273 560831883 /nfs/dbraw/zinc/83/18/83/560831883.db2.gz JCPFPKCJPGQIBH-HSALFYBXSA-N -1 3 408.841 4.293 50 0 HIAAHM O=S(=O)([N-]C1(c2ccc(Br)cc2)CC1)c1ccccc1C(F)(F)F ZINC000048287758 568434618 /nfs/dbraw/zinc/43/46/18/568434618.db2.gz FETWBNPEBOKFEH-UHFFFAOYSA-N -1 3 420.250 4.436 50 0 HIAAHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl ZINC000095482581 568634651 /nfs/dbraw/zinc/63/46/51/568634651.db2.gz KLVVHSZZGRZUFL-UHFFFAOYSA-N -1 3 418.689 4.175 50 0 HIAAHM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000225535537 568648477 /nfs/dbraw/zinc/64/84/77/568648477.db2.gz IFGDHAKNXCGZCO-UHFFFAOYSA-N -1 3 423.296 4.123 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc3nccnc32)S1 ZINC000096117337 568696868 /nfs/dbraw/zinc/69/68/68/568696868.db2.gz BAMYUBHGXOJNQW-UGSOOPFHSA-N -1 3 409.515 4.136 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc3nccnc32)S1 ZINC000096117338 568697001 /nfs/dbraw/zinc/69/70/01/568697001.db2.gz BAMYUBHGXOJNQW-FZKQIMNGSA-N -1 3 409.515 4.136 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000238900542 568727350 /nfs/dbraw/zinc/72/73/50/568727350.db2.gz JKBFEHQBJALXIB-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000096379478 568741075 /nfs/dbraw/zinc/74/10/75/568741075.db2.gz BPPRIUIUXHIMHD-UHFFFAOYSA-N -1 3 406.895 4.322 50 0 HIAAHM COCCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccsc3)nc(=O)c2c1C ZINC000096399817 568749058 /nfs/dbraw/zinc/74/90/58/568749058.db2.gz NRFCCOFCQSZGLK-YRNVUSSQSA-N -1 3 410.904 4.307 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(N3CCOC3=O)ccc2F)c(C)c1C ZINC000057122349 568824259 /nfs/dbraw/zinc/82/42/59/568824259.db2.gz YZSAIILGEJYONA-UHFFFAOYSA-N -1 3 406.479 4.125 50 0 HIAAHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000006035474 568836087 /nfs/dbraw/zinc/83/60/87/568836087.db2.gz JJAKKJDDXGUWRV-UHFFFAOYSA-N -1 3 410.528 4.067 50 0 HIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006035499 568836219 /nfs/dbraw/zinc/83/62/19/568836219.db2.gz LBOMOLVNBUROHL-UHFFFAOYSA-N -1 3 400.407 4.163 50 0 HIAAHM CN(Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012615476 568871948 /nfs/dbraw/zinc/87/19/48/568871948.db2.gz ADIWQRVOVHWMRM-UHFFFAOYSA-N -1 3 411.508 4.074 50 0 HIAAHM Cc1ccc(Cn2ncc([C@]([O-])(c3nc4ccccc4s3)C(F)(F)F)c2N)s1 ZINC000012699682 568916956 /nfs/dbraw/zinc/91/69/56/568916956.db2.gz MAHPASFKWRKVLB-KRWDZBQOSA-N -1 3 424.473 4.291 50 0 HIAAHM Cc1cc(OCC(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000004163582 568918338 /nfs/dbraw/zinc/91/83/38/568918338.db2.gz SPCNGRRVOUCIPN-GOSISDBHSA-N -1 3 418.843 4.447 50 0 HIAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012746523 568932564 /nfs/dbraw/zinc/93/25/64/568932564.db2.gz UBKASJQNFDDJGL-CQSZACIVSA-N -1 3 401.509 4.241 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCc2c(F)cccc2Cl)S1 ZINC000015832972 569012792 /nfs/dbraw/zinc/01/27/92/569012792.db2.gz CQHMBZIDGJLOJN-SFHVURJKSA-N -1 3 421.881 4.059 50 0 HIAAHM O=C(Nc1nc2cc([N-]S(=O)(=O)Cc3ccccc3)ccc2s1)c1ccccc1 ZINC000015870171 569017170 /nfs/dbraw/zinc/01/71/70/569017170.db2.gz MAOFMZVICBJNMZ-UHFFFAOYSA-N -1 3 423.519 4.491 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccccc4n3C)cc2)cc1 ZINC000015870629 569017354 /nfs/dbraw/zinc/01/73/54/569017354.db2.gz XVCVVXKRYIXFAH-UHFFFAOYSA-N -1 3 405.523 4.468 50 0 HIAAHM O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012887405 569040505 /nfs/dbraw/zinc/04/05/05/569040505.db2.gz URCPDZZRVNGOAU-SOFGYWHQSA-N -1 3 402.853 4.075 50 0 HIAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cc2ccccc2cc1O ZINC000006383185 569046239 /nfs/dbraw/zinc/04/62/39/569046239.db2.gz YQLOGLMPUJCVDY-UHFFFAOYSA-N -1 3 406.463 4.079 50 0 HIAAHM C[C@@H]1CCC[C@@H](NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)[C@@H]1C ZINC000006409572 569047072 /nfs/dbraw/zinc/04/70/72/569047072.db2.gz XVWUVUSFISVCDM-XJKCOSOUSA-N -1 3 408.955 4.070 50 0 HIAAHM Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000006479528 569059245 /nfs/dbraw/zinc/05/92/45/569059245.db2.gz ZUEDPJFLAKTRPT-UHFFFAOYSA-N -1 3 416.449 4.004 50 0 HIAAHM Cc1ccnc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 ZINC000006759097 569113150 /nfs/dbraw/zinc/11/31/50/569113150.db2.gz KKCPUCOOULVNCD-FQEVSTJZSA-N -1 3 402.420 4.292 50 0 HIAAHM O=S(=O)([N-]Cc1cccn1Cc1cccc(F)c1)c1ccccc1C(F)(F)F ZINC000064959360 569134976 /nfs/dbraw/zinc/13/49/76/569134976.db2.gz CFVGVQZLWMGKGZ-UHFFFAOYSA-N -1 3 412.408 4.173 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccccc1Cl ZINC000065034981 569158581 /nfs/dbraw/zinc/15/85/81/569158581.db2.gz UXZAJGYPAFDJIF-UHFFFAOYSA-N -1 3 420.271 4.383 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1cc(F)ccc1F ZINC000065035007 569158653 /nfs/dbraw/zinc/15/86/53/569158653.db2.gz XTYIWLWRPCNERT-UHFFFAOYSA-N -1 3 421.806 4.008 50 0 HIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c(C)c1 ZINC000006935001 569184606 /nfs/dbraw/zinc/18/46/06/569184606.db2.gz RAKNVKLOGNOIMA-QGZVFWFLSA-N -1 3 412.555 4.490 50 0 HIAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)Nc1ccccc1F ZINC000006938007 569185330 /nfs/dbraw/zinc/18/53/30/569185330.db2.gz MYCQEHAGTROZRU-UHFFFAOYSA-N -1 3 403.410 4.410 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017051005 569272495 /nfs/dbraw/zinc/27/24/95/569272495.db2.gz ILAPIGABDZDQRD-UHFFFAOYSA-N -1 3 406.507 4.389 50 0 HIAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)c2ccc(Cl)cc2)[n-]c3=O)cc1 ZINC000002717884 569322431 /nfs/dbraw/zinc/32/24/31/569322431.db2.gz UCWIPACPNLORSN-UHFFFAOYSA-N -1 3 410.886 4.458 50 0 HIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N(Cc1ccco1)Cc1ccccc1 ZINC000008528089 571074263 /nfs/dbraw/zinc/07/42/63/571074263.db2.gz MWUQECJQTWSMCO-UHFFFAOYSA-N -1 3 410.524 4.447 50 0 HIAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1Cl ZINC000008774874 571117843 /nfs/dbraw/zinc/11/78/43/571117843.db2.gz WCVHGDDNHWALSZ-IBGZPJMESA-N -1 3 419.934 4.045 50 0 HIAAHM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000008840783 571123827 /nfs/dbraw/zinc/12/38/27/571123827.db2.gz HGADLPACHVPTPI-UHFFFAOYSA-N -1 3 422.934 4.229 50 0 HIAAHM CC(C)c1cc([N-]C(=O)COc2ccc(Br)cc2Br)on1 ZINC000008942006 571168744 /nfs/dbraw/zinc/16/87/44/571168744.db2.gz HSKWMYGSJUXDQD-UHFFFAOYSA-N -1 3 418.085 4.341 50 0 HIAAHM CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)cc1 ZINC000040115404 571173010 /nfs/dbraw/zinc/17/30/10/571173010.db2.gz NFXNUGPUBOLPGC-CQSZACIVSA-N -1 3 415.490 4.008 50 0 HIAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(Cl)cc1 ZINC000040115400 571173155 /nfs/dbraw/zinc/17/31/55/571173155.db2.gz FKUODPUDUZOSIE-LBPRGKRZSA-N -1 3 421.881 4.099 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cn3ccccc3=O)cc2)c(C)c1C ZINC000040135017 571187943 /nfs/dbraw/zinc/18/79/43/571187943.db2.gz JFYFZTKTMAAKGT-UHFFFAOYSA-N -1 3 410.539 4.240 50 0 HIAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2cc(C)on2)c1 ZINC000008965780 571191341 /nfs/dbraw/zinc/19/13/41/571191341.db2.gz LTUJQTJXVZXIKX-UHFFFAOYSA-N -1 3 419.890 4.104 50 0 HIAAHM O=c1nc(CSc2nnnn2C2CCCCC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000009257040 571243739 /nfs/dbraw/zinc/24/37/39/571243739.db2.gz SETLLWLGJOXHPF-UHFFFAOYSA-N -1 3 424.555 4.436 50 0 HIAAHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1(C)C ZINC000078515206 571313414 /nfs/dbraw/zinc/31/34/14/571313414.db2.gz TWJOHARRWGORHV-IUODEOHRSA-N -1 3 404.454 4.254 50 0 HIAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2CCC1=O ZINC000008840745 132333644 /nfs/dbraw/zinc/33/36/44/132333644.db2.gz DTFKDBLJXKLUFN-UHFFFAOYSA-N -1 3 400.544 4.492 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840642 132333719 /nfs/dbraw/zinc/33/37/19/132333719.db2.gz KFQZINMESDQTCD-UHFFFAOYSA-N -1 3 406.507 4.275 50 0 HIAAHM CN(Cc1ccc(F)cc1F)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000032928404 523259659 /nfs/dbraw/zinc/25/96/59/523259659.db2.gz JIGVRDLRGIDKHI-JOCHJYFZSA-N -1 3 424.447 4.190 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)c(Cl)c2)cc1 ZINC000032833757 525085167 /nfs/dbraw/zinc/08/51/67/525085167.db2.gz VQVHQAZWMKKGQD-UHFFFAOYSA-N -1 3 404.875 4.123 50 0 HIAAHM CCOc1ccc2oc(-c3cc(Br)cc4c3OCOC4)c([O-])c(=O)c2c1 ZINC000000630375 557026143 /nfs/dbraw/zinc/02/61/43/557026143.db2.gz TZDABJGUPMTUCY-UHFFFAOYSA-N -1 3 419.227 4.193 50 0 biogenic HIAAHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000992485 557135383 /nfs/dbraw/zinc/13/53/83/557135383.db2.gz OPJIGPUEDZJVAT-UHFFFAOYSA-N -1 3 412.467 4.247 50 0 HIAAHM O=C(NC(=S)Nc1ccccc1[O-])c1cccc2c(Br)cccc12 ZINC000001181646 557231460 /nfs/dbraw/zinc/23/14/60/557231460.db2.gz GMYMOQKUFQATIM-UHFFFAOYSA-N -1 3 401.285 4.435 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000002497911 557352940 /nfs/dbraw/zinc/35/29/40/557352940.db2.gz ARKSYJAJDNYHJH-UHFFFAOYSA-N -1 3 404.469 4.405 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000012017406 558309259 /nfs/dbraw/zinc/30/92/59/558309259.db2.gz RVEWCUFWWOMOPX-CEXWTWQISA-N -1 3 410.882 4.453 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055887 558508332 /nfs/dbraw/zinc/50/83/32/558508332.db2.gz JSKZDAXXEGXALX-LBPRGKRZSA-N -1 3 419.934 4.316 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000013511262 558535587 /nfs/dbraw/zinc/53/55/87/558535587.db2.gz YVHMGXOOHASBAF-QHAWAJNXSA-N -1 3 420.852 4.097 50 0 HIAAHM COc1ccccc1[C@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccccn4)nc3c21 ZINC000013571980 558542373 /nfs/dbraw/zinc/54/23/73/558542373.db2.gz WVNKBSFMKDFHKA-FQEVSTJZSA-N -1 3 423.432 4.186 50 0 HIAAHM Fc1ccccc1[N-]c1nnc(SC[C@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000023508204 558560438 /nfs/dbraw/zinc/56/04/38/558560438.db2.gz PKHXXPODVOYHDM-MRXNPFEDSA-N -1 3 416.547 4.414 50 0 HIAAHM COc1cc(CN(Cc2nc3ccsc3c(=O)[n-]2)C2CC2)ccc1OC(F)F ZINC000015036483 558703988 /nfs/dbraw/zinc/70/39/88/558703988.db2.gz GHJCCUMCMKVNAQ-UHFFFAOYSA-N -1 3 407.442 4.172 50 0 HIAAHM CC(C)c1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000015044160 558704338 /nfs/dbraw/zinc/70/43/38/558704338.db2.gz LYNDFFXGWPJBHK-GOSISDBHSA-N -1 3 423.557 4.044 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000015724149 558750075 /nfs/dbraw/zinc/75/00/75/558750075.db2.gz OCKNEIJLVCOEOA-MRXNPFEDSA-N -1 3 419.241 4.482 50 0 HIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)N[C@H](C)CC)CC3)cc2)cc1 ZINC000033115377 558761479 /nfs/dbraw/zinc/76/14/79/558761479.db2.gz NTIDIDVRXRZWHX-QGZVFWFLSA-N -1 3 414.571 4.386 50 0 HIAAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(C)cc1 ZINC000004594177 558832001 /nfs/dbraw/zinc/83/20/01/558832001.db2.gz YVOSWIIKWIJXFF-INIZCTEOSA-N -1 3 416.326 4.275 50 0 HIAAHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)sc1C ZINC000060361455 558887787 /nfs/dbraw/zinc/88/77/87/558887787.db2.gz OWMOEGMAHHJGNV-UHFFFAOYSA-N -1 3 412.886 4.207 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000004693740 558903958 /nfs/dbraw/zinc/90/39/58/558903958.db2.gz TYJWFNFJWIQGNP-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM COc1ccc(Cc2nnc([N-]C(=O)c3nc(C)sc3CC(C)C)s2)cc1 ZINC000072405356 558983826 /nfs/dbraw/zinc/98/38/26/558983826.db2.gz SRYZAVAKRHGWDV-UHFFFAOYSA-N -1 3 402.545 4.353 50 0 HIAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)C3CCCCC3)CC2)s1 ZINC000033272954 559034474 /nfs/dbraw/zinc/03/44/74/559034474.db2.gz GUDASFGNXYNSNU-UHFFFAOYSA-N -1 3 416.522 4.216 50 0 HIAAHM COc1ccc(CN2CCc3nc(SCc4ccc(F)cc4)[n-]c(=O)c3C2)cc1 ZINC000033287260 559043924 /nfs/dbraw/zinc/04/39/24/559043924.db2.gz AXECIUMQQDUPLT-UHFFFAOYSA-N -1 3 411.502 4.181 50 0 HIAAHM O=C1[N-]C(=O)C(=C2c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)S1 ZINC000098086456 559065184 /nfs/dbraw/zinc/06/51/84/559065184.db2.gz GAMFHNNJZWWTSP-PFONDFGASA-N -1 3 405.262 4.234 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100722355 559138463 /nfs/dbraw/zinc/13/84/63/559138463.db2.gz JKBFEHQBJALXIB-FDFHNCONSA-N -1 3 402.425 4.185 50 0 HIAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc3c2N1CCC3 ZINC000005154177 559253491 /nfs/dbraw/zinc/25/34/91/559253491.db2.gz TYMRGHWIUNNVFE-UHFFFAOYSA-N -1 3 411.310 4.020 50 0 HIAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2ccccc2)cc1Cl ZINC000005156377 559258867 /nfs/dbraw/zinc/25/88/67/559258867.db2.gz USOBJAMNHNPIBD-UHFFFAOYSA-N -1 3 410.886 4.046 50 0 HIAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2ccccc2)cc1Cl ZINC000005156377 559258869 /nfs/dbraw/zinc/25/88/69/559258869.db2.gz USOBJAMNHNPIBD-UHFFFAOYSA-N -1 3 410.886 4.046 50 0 HIAAHM COc1ccc(-c2cc(C(=O)[N-]c3nc(C)c(C(=O)OCC(C)C)s3)no2)cc1 ZINC000011915602 559267931 /nfs/dbraw/zinc/26/79/31/559267931.db2.gz CGLFZKASABURSY-UHFFFAOYSA-N -1 3 415.471 4.180 50 0 HIAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000005199148 559292318 /nfs/dbraw/zinc/29/23/18/559292318.db2.gz SHJVLVKHTNWMHT-UHFFFAOYSA-N -1 3 405.841 4.109 50 0 HIAAHM COc1ccccc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000005199242 559292467 /nfs/dbraw/zinc/29/24/67/559292467.db2.gz FPHSERDJYDDQBU-UHFFFAOYSA-N -1 3 405.841 4.109 50 0 HIAAHM CC(C)Cn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2c1CCCC2 ZINC000005563310 560619088 /nfs/dbraw/zinc/61/90/88/560619088.db2.gz DPXAKLBZWMJOOK-UHFFFAOYSA-N -1 3 419.319 4.104 50 0 HIAAHM COc1cc(SC)ccc1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000005358261 560626107 /nfs/dbraw/zinc/62/61/07/560626107.db2.gz RIZYAMBERZEIKY-SNVBAGLBSA-N -1 3 404.513 4.250 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)cc1 ZINC000005652666 560637046 /nfs/dbraw/zinc/63/70/46/560637046.db2.gz RPDONMWRXYEHQY-UHFFFAOYSA-N -1 3 416.524 4.047 50 0 HIAAHM COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1)oc1ccccc12 ZINC000005694048 560786498 /nfs/dbraw/zinc/78/64/98/560786498.db2.gz BEFWJRRGQZBBPG-CYBMUJFWSA-N -1 3 405.406 4.484 50 0 HIAAHM COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1)oc1ccccc12 ZINC000005694046 560786512 /nfs/dbraw/zinc/78/65/12/560786512.db2.gz BEFWJRRGQZBBPG-ZDUSSCGKSA-N -1 3 405.406 4.484 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000102709937 560820936 /nfs/dbraw/zinc/82/09/36/560820936.db2.gz FSDUJCWLMIKSOR-PWRODBHTSA-N -1 3 420.852 4.097 50 0 HIAAHM COc1cc(OC)cc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c1 ZINC000102746275 560824045 /nfs/dbraw/zinc/82/40/45/560824045.db2.gz DQGCWRKFTUVYBD-NSPYISDASA-N -1 3 408.414 4.309 50 0 HIAAHM COC(=O)c1ccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc1 ZINC000102737151 560824517 /nfs/dbraw/zinc/82/45/17/560824517.db2.gz HBIAIMRWUCWARS-SCLBCKFNSA-N -1 3 406.398 4.078 50 0 HIAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)nc(C)n1 ZINC000012226147 560894297 /nfs/dbraw/zinc/89/42/97/560894297.db2.gz VNWACTGAXOEFBX-UHFFFAOYSA-N -1 3 420.494 4.491 50 0 HIAAHM O=c1oc2ccccc2c(NC2CCCC2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000045962165 568422965 /nfs/dbraw/zinc/42/29/65/568422965.db2.gz NAALVYSCSKCMRJ-UHFFFAOYSA-N -1 3 402.447 4.087 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4cccc(C)c4n3)ccc2C)cc1 ZINC000006748134 568458150 /nfs/dbraw/zinc/45/81/50/568458150.db2.gz UXQJASXUSMNJDQ-UHFFFAOYSA-N -1 3 407.495 4.428 50 0 HIAAHM C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl ZINC000008230470 568494571 /nfs/dbraw/zinc/49/45/71/568494571.db2.gz YHDSENNWHWWQNF-LXKVQUBZSA-N -1 3 414.310 4.015 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3C)c(Cl)c2)S1 ZINC000020895949 568648871 /nfs/dbraw/zinc/64/88/71/568648871.db2.gz CPVDDTAHWNJIPV-IBGZPJMESA-N -1 3 417.918 4.228 50 0 HIAAHM CC(=O)c1cc(F)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1F ZINC000095944142 568663070 /nfs/dbraw/zinc/66/30/70/568663070.db2.gz CKHRKCSSRSOJCI-UHFFFAOYSA-N -1 3 411.323 4.267 50 0 HIAAHM CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226987267 568698785 /nfs/dbraw/zinc/69/87/85/568698785.db2.gz HTHMRCIAPOXXJW-BHIFYINESA-N -1 3 408.498 4.344 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000226984791 568698875 /nfs/dbraw/zinc/69/88/75/568698875.db2.gz OAEOLBCEEPGHDO-SOLBZPMBSA-N -1 3 405.281 4.472 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229947913 568715929 /nfs/dbraw/zinc/71/59/29/568715929.db2.gz GLUBGJJHSQFDME-PWRODBHTSA-N -1 3 404.853 4.391 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229951026 568715999 /nfs/dbraw/zinc/71/59/99/568715999.db2.gz GRRKMZLJNJMNDH-PWRODBHTSA-N -1 3 404.853 4.391 50 0 HIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000229969095 568716332 /nfs/dbraw/zinc/71/63/32/568716332.db2.gz NBDBZMFKTUEVEG-PWRODBHTSA-N -1 3 420.490 4.116 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c(C)c1 ZINC000229992027 568716627 /nfs/dbraw/zinc/71/66/27/568716627.db2.gz BCOGPEAYQAMWRM-PWRODBHTSA-N -1 3 404.491 4.416 50 0 HIAAHM CC(C)(C)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000001096465 568769573 /nfs/dbraw/zinc/76/95/73/568769573.db2.gz VOWUSRYWUSPFRA-UZLBHIALSA-N -1 3 412.452 4.392 50 0 HIAAHM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)c1ccccc1 ZINC000001128540 568773049 /nfs/dbraw/zinc/77/30/49/568773049.db2.gz FWAILVCGWZFBNJ-QFIPXVFZSA-N -1 3 424.522 4.430 50 0 HIAAHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002762706 568807377 /nfs/dbraw/zinc/80/73/77/568807377.db2.gz IJQYCUUWOYTUCW-UHFFFAOYSA-N -1 3 410.326 4.274 50 0 HIAAHM CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556376 568855625 /nfs/dbraw/zinc/85/56/25/568855625.db2.gz LVUPKFCTUZEZCJ-XOBRGWDASA-N -1 3 402.878 4.190 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 ZINC000012630227 568883178 /nfs/dbraw/zinc/88/31/78/568883178.db2.gz VXAJSPYHEXESTQ-IRXDYDNUSA-N -1 3 400.544 4.222 50 0 HIAAHM CCCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000031273468 568921536 /nfs/dbraw/zinc/92/15/36/568921536.db2.gz YTMKPPPZFQQYPJ-UHFFFAOYSA-N -1 3 411.321 4.243 50 0 HIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3F)nc2n1 ZINC000012734975 568923744 /nfs/dbraw/zinc/92/37/44/568923744.db2.gz CCJNKVRRPAGTGI-JTQLQIEISA-N -1 3 406.870 4.259 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)cc1 ZINC000004036414 568935516 /nfs/dbraw/zinc/93/55/16/568935516.db2.gz ZQZRNXVYFFTONS-UHFFFAOYSA-N -1 3 411.508 4.476 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)cc1 ZINC000004036400 568935603 /nfs/dbraw/zinc/93/56/03/568935603.db2.gz JLHASTCMZPNCTH-UHFFFAOYSA-N -1 3 411.508 4.476 50 0 HIAAHM COc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012758872 568943675 /nfs/dbraw/zinc/94/36/75/568943675.db2.gz KYAHLOVZLUDALV-UHFFFAOYSA-N -1 3 422.915 4.463 50 0 HIAAHM O=C(c1ccc(Cl)c(Cl)c1)N1CCc2nc(-c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000004172350 568948247 /nfs/dbraw/zinc/94/82/47/568948247.db2.gz NTZMSQVJUHLEGR-UHFFFAOYSA-N -1 3 418.255 4.081 50 0 HIAAHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000008059928 568970940 /nfs/dbraw/zinc/97/09/40/568970940.db2.gz SFMQJJJHTBTERA-UHFFFAOYSA-N -1 3 410.326 4.274 50 0 HIAAHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000012893967 569020123 /nfs/dbraw/zinc/02/01/23/569020123.db2.gz HGRCNJIWNRXECQ-UHFFFAOYSA-N -1 3 411.520 4.078 50 0 HIAAHM Cc1ccc(-c2[nH]nc3c2C(=C([O-])c2ccc(Br)cc2)CC(=O)N3)cc1 ZINC000035511563 569043088 /nfs/dbraw/zinc/04/30/88/569043088.db2.gz LOJHKJLDWGMGBQ-OAHLLOKOSA-N -1 3 410.271 4.456 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000245327711 569055975 /nfs/dbraw/zinc/05/59/75/569055975.db2.gz PQRXXEZTUSVBNK-NJDAHSKKSA-N -1 3 404.853 4.391 50 0 HIAAHM CCOC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2[n-]c(=S)[nH]c(=O)c12 ZINC000006489106 569059554 /nfs/dbraw/zinc/05/95/54/569059554.db2.gz IXENXSKQLZQXQO-UHFFFAOYSA-N -1 3 409.511 4.498 50 0 HIAAHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920289 569121085 /nfs/dbraw/zinc/12/10/85/569121085.db2.gz UBXIVGRCQBACBV-OAHLLOKOSA-N -1 3 401.513 4.031 50 0 HIAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(C)cc1)N2 ZINC000065298482 569219346 /nfs/dbraw/zinc/21/93/46/569219346.db2.gz JOZDDDSZZASYPQ-HXUWFJFHSA-N -1 3 407.514 4.173 50 0 HIAAHM O=C1CCCN1c1ccccc1NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000007323016 569233686 /nfs/dbraw/zinc/23/36/86/569233686.db2.gz VVJDJUQBTVWEPG-UHFFFAOYSA-N -1 3 416.506 4.391 50 0 HIAAHM O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170637434 569279791 /nfs/dbraw/zinc/27/97/91/569279791.db2.gz BANVPZFVXNMLGI-NRFANRHFSA-N -1 3 407.514 4.016 50 0 HIAAHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000037384063 569295184 /nfs/dbraw/zinc/29/51/84/569295184.db2.gz GDTDWXKQXDCZBW-CABZTGNLSA-N -1 3 411.159 4.069 50 0 HIAAHM COC(=O)c1sccc1Oc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000008857281 569390600 /nfs/dbraw/zinc/39/06/00/569390600.db2.gz GMKIQILWGGCWMW-UHFFFAOYSA-N -1 3 419.480 4.136 50 0 HIAAHM CCOc1ccc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)cc1OCC ZINC000008478835 571053680 /nfs/dbraw/zinc/05/36/80/571053680.db2.gz SNZGKPBRVIQGMP-UHFFFAOYSA-N -1 3 404.517 4.061 50 0 HIAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(Cl)nc1 ZINC000008694024 571102177 /nfs/dbraw/zinc/10/21/77/571102177.db2.gz GNGFOKQODMWBEP-UHFFFAOYSA-N -1 3 422.293 4.442 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccccn2)cs1 ZINC000008777778 571118082 /nfs/dbraw/zinc/11/80/82/571118082.db2.gz UWRGJOAZECQGEY-AUUYWEPGSA-N -1 3 416.428 4.243 50 0 HIAAHM Cc1cc([N-]C(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)no1 ZINC000009101964 571221758 /nfs/dbraw/zinc/22/17/58/571221758.db2.gz PAGHVAQMVUSADH-UHFFFAOYSA-N -1 3 424.407 4.337 50 0 HIAAHM O=C(COc1ccc(Br)cc1)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC000009135057 571229624 /nfs/dbraw/zinc/22/96/24/571229624.db2.gz CHTQPZILNVACLJ-UHFFFAOYSA-N -1 3 409.186 4.400 50 0 HIAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCCOc2ccc(Cl)cc2)n1 ZINC000009640621 571275640 /nfs/dbraw/zinc/27/56/40/571275640.db2.gz FFRCCOPVAPFPHD-UHFFFAOYSA-N -1 3 412.902 4.218 50 0 HIAAHM Cc1cc(C)cc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c1 ZINC000009669228 571278494 /nfs/dbraw/zinc/27/84/94/571278494.db2.gz LZKSJDZVUORKOR-UHFFFAOYSA-N -1 3 423.473 4.008 50 0 HIAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc2cccnc21 ZINC000009712002 571281268 /nfs/dbraw/zinc/28/12/68/571281268.db2.gz GLJSTIGEXLGECM-UHFFFAOYSA-N -1 3 421.453 4.427 50 0 HIAAHM Cc1cc(OCc2nc(SCC(=O)Nc3c(F)cccc3F)n[n-]2)ccc1Cl ZINC000009722212 571281973 /nfs/dbraw/zinc/28/19/73/571281973.db2.gz SNXGVNRRFVAQDA-UHFFFAOYSA-N -1 3 424.860 4.355 50 0 HIAAHM Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c([O-])c12 ZINC000010166794 571295760 /nfs/dbraw/zinc/29/57/60/571295760.db2.gz VHGYLPPUFVWACF-UHFFFAOYSA-N -1 3 410.836 4.375 50 0 HIAAHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OC)c(O)c3)nc(=O)c2c1C ZINC000096792075 852555009 /nfs/dbraw/zinc/55/50/09/852555009.db2.gz SKWZCYAOWQPWKX-YRNVUSSQSA-N -1 3 420.874 4.333 50 0 HIAAHM COc1cc(C=NNC(=S)Nc2cc(C)ccc2C)cc(Br)c1[O-] ZINC000254924484 854216821 /nfs/dbraw/zinc/21/68/21/854216821.db2.gz KWYSDLWZCOGALW-UHFFFAOYSA-N -1 3 408.321 4.101 50 0 HIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1ccco1 ZINC000006901906 132320315 /nfs/dbraw/zinc/32/03/15/132320315.db2.gz LDTAIYSLLSXKCA-UHFFFAOYSA-N -1 3 415.449 4.241 50 0 HIAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)ccc2OC)no1 ZINC000035538872 522142924 /nfs/dbraw/zinc/14/29/24/522142924.db2.gz AZCFCSIWLSLMCH-UHFFFAOYSA-N -1 3 401.488 4.232 50 0 HIAAHM CCc1cc2c(CN[C@@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2cc1[O-] ZINC000032759546 523845077 /nfs/dbraw/zinc/84/50/77/523845077.db2.gz LHXXAYYJVVEAFD-XMMPIXPASA-N -1 3 409.482 4.319 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000845868 557099643 /nfs/dbraw/zinc/09/96/43/557099643.db2.gz YCQQYSNWXPLUGA-IUODEOHRSA-N -1 3 405.214 4.092 50 0 HIAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2nc1CN1CCCCC1 ZINC000001061607 557164408 /nfs/dbraw/zinc/16/44/08/557164408.db2.gz HBBFUJSZOKAJPF-UHFFFAOYSA-N -1 3 418.950 4.013 50 0 HIAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000001151956 557211599 /nfs/dbraw/zinc/21/15/99/557211599.db2.gz ICGHLBCDLMHWMX-RFAUZJTJSA-N -1 3 413.223 4.400 50 0 HIAAHM Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)s1 ZINC000010556624 557541614 /nfs/dbraw/zinc/54/16/14/557541614.db2.gz JGRVFWJQDHICKH-UHFFFAOYSA-N -1 3 401.513 4.121 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)cc1C ZINC000004649854 557575550 /nfs/dbraw/zinc/57/55/50/557575550.db2.gz VGXIQSJFPALPKE-UHFFFAOYSA-N -1 3 407.495 4.428 50 0 HIAAHM CCOc1ccc(-n2c(COc3ccc(Br)cc3)n[n-]c2=S)cc1 ZINC000006176742 557692880 /nfs/dbraw/zinc/69/28/80/557692880.db2.gz JRNLLQRLMAXWHT-UHFFFAOYSA-N -1 3 406.305 4.296 50 0 HIAAHM COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)ccc1OC ZINC000006372385 557700329 /nfs/dbraw/zinc/70/03/29/557700329.db2.gz QKSZMYOWYQWQJW-IBGZPJMESA-N -1 3 417.531 4.024 50 0 HIAAHM O=c1nc(CS(=O)(=O)c2ccccc2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000019926615 558307935 /nfs/dbraw/zinc/30/79/35/558307935.db2.gz OGQKPEZRTUXFRG-UHFFFAOYSA-N -1 3 416.911 4.279 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000012017410 558309188 /nfs/dbraw/zinc/30/91/88/558309188.db2.gz RHXGJHVZAGXKTP-CEXWTWQISA-N -1 3 410.882 4.453 50 0 HIAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020725567 558404604 /nfs/dbraw/zinc/40/46/04/558404604.db2.gz AFTFCNBTGVJVEX-DEOSSOPVSA-N -1 3 417.484 4.404 50 0 HIAAHM CCOc1cc(CN(Cc2nc3ccsc3c(=O)[n-]2)C2CC2)ccc1OC(F)F ZINC000021585081 558442280 /nfs/dbraw/zinc/44/22/80/558442280.db2.gz BZZNUFDYXOLXOK-UHFFFAOYSA-N -1 3 421.469 4.149 50 0 HIAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 ZINC000013006090 558502057 /nfs/dbraw/zinc/50/20/57/558502057.db2.gz PPFSZAPQXAKMJW-UHFFFAOYSA-N -1 3 413.524 4.068 50 0 HIAAHM Cc1cccc(Oc2ccccc2NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1 ZINC000022974095 558528783 /nfs/dbraw/zinc/52/87/83/558528783.db2.gz OAHUBQHASLVRNN-UHFFFAOYSA-N -1 3 415.449 4.232 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CCC)cc3)cc2)CC1 ZINC000015869615 558760439 /nfs/dbraw/zinc/76/04/39/558760439.db2.gz NBCCBQGTFZBGFR-UHFFFAOYSA-N -1 3 414.571 4.388 50 0 HIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1 ZINC000033115543 558761848 /nfs/dbraw/zinc/76/18/48/558761848.db2.gz MNNQCHTYYAMNIH-UHFFFAOYSA-N -1 3 414.571 4.244 50 0 HIAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000004580641 558766775 /nfs/dbraw/zinc/76/67/75/558766775.db2.gz WPYSKAVSGZNRHO-UHFFFAOYSA-N -1 3 404.359 4.497 50 0 HIAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000016035527 558769770 /nfs/dbraw/zinc/76/97/70/558769770.db2.gz SGZWTSFXCKEQJK-MEYXOBLXSA-N -1 3 400.478 4.047 50 0 HIAAHM COCc1nnc([N-]C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)s1 ZINC000072325488 558862135 /nfs/dbraw/zinc/86/21/35/558862135.db2.gz PZUHMBQJEFBIBP-UHFFFAOYSA-N -1 3 407.451 4.019 50 0 HIAAHM CCCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126260 558884026 /nfs/dbraw/zinc/88/40/26/558884026.db2.gz FPTFGORQZMPEEO-UHFFFAOYSA-N -1 3 416.525 4.419 50 0 HIAAHM Cc1cccc(C(=O)N2CCC(c3nnc(C(=O)[N-]c4ccccc4F)s3)CC2)c1 ZINC000033272950 559034505 /nfs/dbraw/zinc/03/45/05/559034505.db2.gz JYVQOVKUWLORLL-UHFFFAOYSA-N -1 3 424.501 4.258 50 0 HIAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000100706145 559138136 /nfs/dbraw/zinc/13/81/36/559138136.db2.gz ZPZGLGQNLNPWBX-PCCBWWKXSA-N -1 3 420.490 4.198 50 0 HIAAHM CCCCNC(=O)N([O-])[C@H]1N(CCCC)C(=O)N(CCc2ccccc2)C1(C)C ZINC000004869481 559193893 /nfs/dbraw/zinc/19/38/93/559193893.db2.gz RTZHGHKJBRQRFS-LJQANCHMSA-N -1 3 404.555 4.072 50 0 HIAAHM O=S(=O)([N-]CCc1c[nH]c2ccc(Cl)cc12)c1ccc(Br)s1 ZINC000034194753 560587160 /nfs/dbraw/zinc/58/71/60/560587160.db2.gz MFINAEVJLOTGJO-UHFFFAOYSA-N -1 3 419.753 4.166 50 0 HIAAHM CCSc1nnc([N-]C(=O)c2sc3nc4c(cc3c2N)CCCCC4)s1 ZINC000018196071 560782440 /nfs/dbraw/zinc/78/24/40/560782440.db2.gz ZUYBSFYRBGYXMD-UHFFFAOYSA-N -1 3 405.574 4.363 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1C ZINC000102663072 560819298 /nfs/dbraw/zinc/81/92/98/560819298.db2.gz AOEICVJWOJBSDO-XPWALMASSA-N -1 3 416.452 4.494 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102701753 560820380 /nfs/dbraw/zinc/82/03/80/560820380.db2.gz BGOFGNTZSGJLKH-KZNAEPCWSA-N -1 3 405.281 4.472 50 0 HIAAHM COc1cc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)ccc1O ZINC000102745835 560824024 /nfs/dbraw/zinc/82/40/24/560824024.db2.gz RQBSXGWBEFPACG-ADLMAVQZSA-N -1 3 410.455 4.474 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000102765984 560825115 /nfs/dbraw/zinc/82/51/15/560825115.db2.gz RLIPVQWPVHWTJF-PCCBWWKXSA-N -1 3 424.378 4.155 50 0 HIAAHM COc1cccc([C@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)c1OC ZINC000102836565 560829796 /nfs/dbraw/zinc/82/97/96/560829796.db2.gz DQDIWWHIFUIDGN-BBATYDOGSA-N -1 3 408.414 4.309 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000102912283 560835355 /nfs/dbraw/zinc/83/53/55/560835355.db2.gz CFPAIWKZMJGJHM-QHAWAJNXSA-N -1 3 404.491 4.416 50 0 HIAAHM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057479 568426226 /nfs/dbraw/zinc/42/62/26/568426226.db2.gz QDXPUEQCVHHESO-INIZCTEOSA-N -1 3 410.271 4.252 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1C ZINC000046057302 568426243 /nfs/dbraw/zinc/42/62/43/568426243.db2.gz PYVYTXOHILUAAA-INIZCTEOSA-N -1 3 419.481 4.123 50 0 HIAAHM O=C(Nc1ccccc1[O-])c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000000645263 568457144 /nfs/dbraw/zinc/45/71/44/568457144.db2.gz DCEVGGPRDAAQFJ-UHFFFAOYSA-N -1 3 402.859 4.099 50 0 HIAAHM O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000000645263 568457145 /nfs/dbraw/zinc/45/71/45/568457145.db2.gz DCEVGGPRDAAQFJ-UHFFFAOYSA-N -1 3 402.859 4.099 50 0 HIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)N1 ZINC000000653631 568459709 /nfs/dbraw/zinc/45/97/09/568459709.db2.gz VGJINBHGNNKREB-NRFANRHFSA-N -1 3 418.415 4.227 50 0 HIAAHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000021603417 568466726 /nfs/dbraw/zinc/46/67/26/568466726.db2.gz BRXVEXFPBHRVKR-CYBMUJFWSA-N -1 3 423.473 4.088 50 0 HIAAHM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(F)ccc1F)[nH]c1c2C(=O)CCC1 ZINC000020990402 568655684 /nfs/dbraw/zinc/65/56/84/568655684.db2.gz ZLOXSRQAMSNLBG-UHFFFAOYSA-N -1 3 404.438 4.328 50 0 HIAAHM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1F)[nH]c1c2C(=O)CCC1 ZINC000020990452 568655836 /nfs/dbraw/zinc/65/58/36/568655836.db2.gz UPYTWHRCDYXXQP-UHFFFAOYSA-N -1 3 404.438 4.328 50 0 HIAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2)o1 ZINC000021031913 568659341 /nfs/dbraw/zinc/65/93/41/568659341.db2.gz XFKBKTGWXLZBCE-UHFFFAOYSA-N -1 3 411.252 4.352 50 0 HIAAHM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1nnc2ccccc2c1[O-] ZINC000096012092 568684559 /nfs/dbraw/zinc/68/45/59/568684559.db2.gz HNFMOAHEGAJUFB-SFHVURJKSA-N -1 3 416.525 4.285 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc3ncccc3c2)CCO1 ZINC000096117412 568696826 /nfs/dbraw/zinc/69/68/26/568696826.db2.gz CZSQVMHTZHHEEM-KXBFYZLASA-N -1 3 424.526 4.042 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000845869 568710599 /nfs/dbraw/zinc/71/05/99/568710599.db2.gz DZVNDHDTXLLHSX-WFASDCNBSA-N -1 3 405.214 4.092 50 0 HIAAHM O=C([O-])c1cnn(-c2ccccc2)c1-n1cccc1CNCc1ccc(Cl)cc1 ZINC000021532548 568711232 /nfs/dbraw/zinc/71/12/32/568711232.db2.gz MQEMJEIAQRHLFH-UHFFFAOYSA-N -1 3 406.873 4.304 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229929917 568716059 /nfs/dbraw/zinc/71/60/59/568716059.db2.gz PQRXXEZTUSVBNK-PWRODBHTSA-N -1 3 404.853 4.391 50 0 HIAAHM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)o1 ZINC000096379595 568741220 /nfs/dbraw/zinc/74/12/20/568741220.db2.gz JLOBQLFQZVUQIL-UHFFFAOYSA-N -1 3 401.275 4.098 50 0 HIAAHM CC(C)(C)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000001096464 568769557 /nfs/dbraw/zinc/76/95/57/568769557.db2.gz VOWUSRYWUSPFRA-JXFKEZNVSA-N -1 3 412.452 4.392 50 0 HIAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCCc1ccccc1 ZINC000002949192 568820507 /nfs/dbraw/zinc/82/05/07/568820507.db2.gz RPMFCIVBQUZGQP-UHFFFAOYSA-N -1 3 421.551 4.394 50 0 HIAAHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000031380053 568925080 /nfs/dbraw/zinc/92/50/80/568925080.db2.gz SXZAQZLQWUJJQO-QGZVFWFLSA-N -1 3 408.523 4.009 50 0 HIAAHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000084505918 568949727 /nfs/dbraw/zinc/94/97/27/568949727.db2.gz GKAAPUPAPDHVMF-UHFFFAOYSA-N -1 3 418.868 4.438 50 0 HIAAHM Cc1cc(I)cc2cc(-c3nc4ccccc4[n-]3)c(=O)oc12 ZINC000008022015 568968870 /nfs/dbraw/zinc/96/88/70/568968870.db2.gz MRLXJXCYQJNNNQ-UHFFFAOYSA-N -1 3 402.191 4.249 50 0 HIAAHM CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1C1CC1 ZINC000008156900 568978400 /nfs/dbraw/zinc/97/84/00/568978400.db2.gz HPTKFHWUILGYJT-UHFFFAOYSA-N -1 3 409.540 4.433 50 0 HIAAHM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)s2)c1C ZINC000015734998 568983965 /nfs/dbraw/zinc/98/39/65/568983965.db2.gz BZOUKSMHWTWYGC-UHFFFAOYSA-N -1 3 416.572 4.152 50 0 HIAAHM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccccc1[O-] ZINC000012819603 568991603 /nfs/dbraw/zinc/99/16/03/568991603.db2.gz RAQBENCOFCMACK-UHFFFAOYSA-N -1 3 403.360 4.035 50 0 HIAAHM COc1ccc(-n2nc(C(=O)c3ccccc3)cc(-c3nc4ccccc4[n-]3)c2=N)cc1 ZINC000008411075 569001532 /nfs/dbraw/zinc/00/15/32/569001532.db2.gz GDVJYWVPXCDTJY-UHFFFAOYSA-N -1 3 421.460 4.135 50 0 HIAAHM O=C([N-]c1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1)c1ccco1 ZINC000015787074 569007716 /nfs/dbraw/zinc/00/77/16/569007716.db2.gz FMPOPUAEVKGQSJ-UHFFFAOYSA-N -1 3 418.887 4.171 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000012854688 569010963 /nfs/dbraw/zinc/01/09/63/569010963.db2.gz LBLNWNKXCSFIMR-UHFFFAOYSA-N -1 3 410.514 4.080 50 0 HIAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2)co1 ZINC000015941451 569024179 /nfs/dbraw/zinc/02/41/79/569024179.db2.gz JYAPNZOXTNSXDB-UHFFFAOYSA-N -1 3 411.252 4.352 50 0 HIAAHM COC(=O)N=c1[n-]c2c(s1)CN(C(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000090582551 569041252 /nfs/dbraw/zinc/04/12/52/569041252.db2.gz AVOWJXYQUJVMPH-UHFFFAOYSA-N -1 3 407.495 4.038 50 0 HIAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(F)cc1F ZINC000012981536 569047254 /nfs/dbraw/zinc/04/72/54/569047254.db2.gz XUUDCNFWVPVARF-UHFFFAOYSA-N -1 3 403.406 4.219 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)c1 ZINC000245311637 569055684 /nfs/dbraw/zinc/05/56/84/569055684.db2.gz PJHSNMLQMDNNBY-DNVJHFABSA-N -1 3 414.461 4.055 50 0 HIAAHM O=c1[n-]c(-c2cc(Cl)ccc2O)nc2c1Cc1cc(Br)ccc1O2 ZINC000006733035 569103694 /nfs/dbraw/zinc/10/36/94/569103694.db2.gz WRIIOJKKLXZKSQ-UHFFFAOYSA-N -1 3 405.635 4.255 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920409 569121161 /nfs/dbraw/zinc/12/11/61/569121161.db2.gz GKIMTRCDOMODHI-UHFFFAOYSA-N -1 3 409.920 4.198 50 0 HIAAHM COCc1nnc([N-]C(=O)c2ccc(-c3ccc(Br)cc3)s2)s1 ZINC000036360780 569151953 /nfs/dbraw/zinc/15/19/53/569151953.db2.gz KODYFELGTMBOSR-UHFFFAOYSA-N -1 3 410.318 4.428 50 0 HIAAHM O=C1[N-]C(=O)c2cc(NCc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ccc21 ZINC000170616113 569247745 /nfs/dbraw/zinc/24/77/45/569247745.db2.gz DDGCYNSLTDWJIP-UHFFFAOYSA-N -1 3 412.424 4.174 50 0 HIAAHM CCCc1cc(-c2nc(C)c(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)s2)ccn1 ZINC000071286393 569252268 /nfs/dbraw/zinc/25/22/68/569252268.db2.gz GIIXVJQVOGAAES-CQSZACIVSA-N -1 3 415.544 4.421 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccccc1 ZINC000010060025 569253107 /nfs/dbraw/zinc/25/31/07/569253107.db2.gz APLIYVXUAOCRFY-UHFFFAOYSA-N -1 3 418.421 4.027 50 0 HIAAHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCCN(c2ccccc2)CC1 ZINC000170634669 569275943 /nfs/dbraw/zinc/27/59/43/569275943.db2.gz NDHHZWQKUQXRTF-UHFFFAOYSA-N -1 3 402.494 4.324 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000002376243 569389511 /nfs/dbraw/zinc/38/95/11/569389511.db2.gz TXGUTMNUCUJRAZ-PCCBWWKXSA-N -1 3 419.868 4.095 50 0 HIAAHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)CCCC2)n1 ZINC000079035748 569424952 /nfs/dbraw/zinc/42/49/52/569424952.db2.gz ZZEXYMWGJDBNBF-UHFFFAOYSA-N -1 3 408.442 4.357 50 0 HIAAHM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2N1Cc1ccccc1 ZINC000008840636 571123805 /nfs/dbraw/zinc/12/38/05/571123805.db2.gz VEVCQAOWCQEIEM-UHFFFAOYSA-N -1 3 410.470 4.106 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1C ZINC000008840934 571123947 /nfs/dbraw/zinc/12/39/47/571123947.db2.gz ZLWIARGSIDYUFK-UHFFFAOYSA-N -1 3 400.544 4.430 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1Cl ZINC000008840881 571124015 /nfs/dbraw/zinc/12/40/15/571124015.db2.gz GVQRXZSJGXQGKH-UHFFFAOYSA-N -1 3 422.934 4.085 50 0 HIAAHM COc1ccc(CNCc2c(C)n(Cc3cccc(OC)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932928 571163468 /nfs/dbraw/zinc/16/34/68/571163468.db2.gz ZJAIXGSVCUNHCV-UHFFFAOYSA-N -1 3 408.498 4.158 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)ccc1F ZINC000008961056 571189381 /nfs/dbraw/zinc/18/93/81/571189381.db2.gz XRAIKKREEOMOCO-UHFFFAOYSA-N -1 3 412.442 4.317 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)cc1OC ZINC000040156323 571203414 /nfs/dbraw/zinc/20/34/14/571203414.db2.gz LBZAIMYGZVHUTH-UHFFFAOYSA-N -1 3 405.422 4.450 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)c1 ZINC000245297250 571223677 /nfs/dbraw/zinc/22/36/77/571223677.db2.gz RTQARWZCOFVKLT-KKVAFCGZSA-N -1 3 412.452 4.383 50 0 HIAAHM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2OCC(C)(C)C1=O ZINC000009166272 571232758 /nfs/dbraw/zinc/23/27/58/571232758.db2.gz BRPZFHUTLKYXHM-UHFFFAOYSA-N -1 3 416.543 4.184 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1C ZINC000009173259 571234357 /nfs/dbraw/zinc/23/43/57/571234357.db2.gz YNHGBNWZAVTVMI-UHFFFAOYSA-N -1 3 416.543 4.387 50 0 HIAAHM COc1ccccc1[C@@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccccn4)nc3c21 ZINC000009215796 571237192 /nfs/dbraw/zinc/23/71/92/571237192.db2.gz WVNKBSFMKDFHKA-HXUWFJFHSA-N -1 3 423.432 4.186 50 0 HIAAHM CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000009659424 571276916 /nfs/dbraw/zinc/27/69/16/571276916.db2.gz GKMDCJLHGHHLQT-CKUKBARFSA-N -1 3 419.241 4.338 50 0 HIAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1C(=O)N1CCCCC1 ZINC000009684487 571279471 /nfs/dbraw/zinc/27/94/71/571279471.db2.gz AEKVHLBUGXKXJD-UHFFFAOYSA-N -1 3 409.939 4.020 50 0 HIAAHM O=C(c1ccc([O-])cc1)N1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000078307585 571313329 /nfs/dbraw/zinc/31/33/29/571313329.db2.gz VQSWVLZUAGESHZ-UHFFFAOYSA-N -1 3 416.506 4.026 50 0 HIAAHM COc1cc(C=C2SC(=O)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000013140886 845906292 /nfs/dbraw/zinc/90/62/92/845906292.db2.gz HURZHTBMGODCEM-DHDCSXOGSA-N -1 3 420.284 4.361 50 0 HIAAHM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000032833571 519703853 /nfs/dbraw/zinc/70/38/53/519703853.db2.gz SDDNWCPCEXNQBQ-UHFFFAOYSA-N -1 3 412.515 4.063 50 0 HIAAHM COc1cc(Cl)cc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1OC(C)C ZINC000040744635 522541914 /nfs/dbraw/zinc/54/19/14/522541914.db2.gz UOSOLMBNBQXSIY-IBGZPJMESA-N -1 3 416.905 4.403 50 0 HIAAHM C[C@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032901312 524992237 /nfs/dbraw/zinc/99/22/37/524992237.db2.gz PRRGGEVBVYULPB-HNNXBMFYSA-N -1 3 410.470 4.218 50 0 HIAAHM O=C(c1csc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1)N1CCCCCC1 ZINC000045961793 526907561 /nfs/dbraw/zinc/90/75/61/526907561.db2.gz SYMMWHONYYZBQL-IBGZPJMESA-N -1 3 418.584 4.120 50 0 HIAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032089349 527657059 /nfs/dbraw/zinc/65/70/59/527657059.db2.gz CLWOOACAQBBTBF-ZMTJCJBESA-N -1 3 409.917 4.278 50 0 HIAAHM CCOc1ccc(OCc2cccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c2)cc1 ZINC000000652892 557039490 /nfs/dbraw/zinc/03/94/90/557039490.db2.gz NUNZDMQHYSCIDC-FQEVSTJZSA-N -1 3 422.403 4.137 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 ZINC000000674218 557050987 /nfs/dbraw/zinc/05/09/87/557050987.db2.gz REAPULMAQHXWQX-UHFFFAOYSA-N -1 3 410.495 4.447 50 0 HIAAHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000001003742 557140146 /nfs/dbraw/zinc/14/01/46/557140146.db2.gz BQWVUDVXDQNKBO-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(Cl)cc1 ZINC000001028122 557146038 /nfs/dbraw/zinc/14/60/38/557146038.db2.gz LZVVMPDQVPJPIU-UHFFFAOYSA-N -1 3 401.797 4.345 50 0 HIAAHM CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1[O-] ZINC000001079886 557175411 /nfs/dbraw/zinc/17/54/11/557175411.db2.gz ZQEYMPISOSDIPC-UHFFFAOYSA-N -1 3 418.906 4.063 50 0 HIAAHM COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000001188909 557235350 /nfs/dbraw/zinc/23/53/50/557235350.db2.gz WQGUKKDIVHAPQN-NTEUORMPSA-N -1 3 406.257 4.404 50 0 HIAAHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000002884301 557421272 /nfs/dbraw/zinc/42/12/72/557421272.db2.gz VKYPQROZDRROEI-UHFFFAOYSA-N -1 3 424.522 4.376 50 0 HIAAHM Cc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)s3)CC2=O)cc1Cl ZINC000009199416 557828906 /nfs/dbraw/zinc/82/89/06/557828906.db2.gz AMBXGDAQZNKLCJ-LLVKDONJSA-N -1 3 418.931 4.334 50 0 HIAAHM CCOc1ccccc1-c1cc([N-]C(=O)Cn2ncc3c2-c2ccccc2OC3)on1 ZINC000009831061 557850286 /nfs/dbraw/zinc/85/02/86/557850286.db2.gz CPIKQLSKHGJLGA-UHFFFAOYSA-N -1 3 416.437 4.135 50 0 HIAAHM CC(C)Cc1cc(-c2nnc3sc(-c4cccc(Br)c4)nn32)[n-]n1 ZINC000012321127 558382619 /nfs/dbraw/zinc/38/26/19/558382619.db2.gz ASGCBUIFNIHQQY-UHFFFAOYSA-N -1 3 403.309 4.204 50 0 HIAAHM O=C(Nc1ccccc1[O-])c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000024749422 558609969 /nfs/dbraw/zinc/60/99/69/558609969.db2.gz CGWUMEIASOPPIB-UHFFFAOYSA-N -1 3 416.281 4.263 50 0 HIAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000018241859 558834269 /nfs/dbraw/zinc/83/42/69/558834269.db2.gz CWQFWZVHXBMWOX-UHFFFAOYSA-N -1 3 412.946 4.042 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1 ZINC000100737087 559138829 /nfs/dbraw/zinc/13/88/29/559138829.db2.gz NIZSWNKIVADIJS-TZIWHRDSSA-N -1 3 401.853 4.123 50 0 HIAAHM CCOC(=O)c1[n-]c(COC(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000003300337 560592834 /nfs/dbraw/zinc/59/28/34/560592834.db2.gz GLVJZSMUVSGNSR-DHZHZOJOSA-N -1 3 419.861 4.087 50 0 HIAAHM CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005645009 560636205 /nfs/dbraw/zinc/63/62/05/560636205.db2.gz ZVGAGVCLDFPYAA-KDOFPFPSSA-N -1 3 417.531 4.129 50 0 HIAAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000101166048 560787325 /nfs/dbraw/zinc/78/73/25/560787325.db2.gz ILPVRDSCXQFLTK-BDTNDASRSA-N -1 3 402.425 4.185 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)CCO1 ZINC000005699225 560789745 /nfs/dbraw/zinc/78/97/45/560789745.db2.gz HMTXLYAUDVADSQ-XJKSGUPXSA-N -1 3 407.923 4.147 50 0 HIAAHM COc1cccc([C@@H]2CC(c3cccc([O-])c3)=Nc3nc(C(F)(F)F)nn32)c1OC ZINC000101693280 560799485 /nfs/dbraw/zinc/79/94/85/560799485.db2.gz UCVKFIFHONIGDG-HNNXBMFYSA-N -1 3 418.375 4.076 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102702508 560820336 /nfs/dbraw/zinc/82/03/36/560820336.db2.gz GLUBGJJHSQFDME-QHAWAJNXSA-N -1 3 404.853 4.391 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102702504 560820386 /nfs/dbraw/zinc/82/03/86/560820386.db2.gz GLUBGJJHSQFDME-PCCBWWKXSA-N -1 3 404.853 4.391 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1C ZINC000102707109 560820599 /nfs/dbraw/zinc/82/05/99/560820599.db2.gz QVIBHYIQLLOPTC-DNVJHFABSA-N -1 3 414.461 4.060 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)c1 ZINC000102716031 560823265 /nfs/dbraw/zinc/82/32/65/560823265.db2.gz PJHSNMLQMDNNBY-XPWALMASSA-N -1 3 414.461 4.055 50 0 HIAAHM COC(=O)c1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)cc1 ZINC000102737145 560824484 /nfs/dbraw/zinc/82/44/84/560824484.db2.gz HBIAIMRWUCWARS-FZKQIMNGSA-N -1 3 406.398 4.078 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c(C)c1 ZINC000102765900 560825063 /nfs/dbraw/zinc/82/50/63/560825063.db2.gz BEHNWZBSIRATNN-RJGXRXQPSA-N -1 3 416.452 4.494 50 0 HIAAHM Cc1ccc2cc3c(N)c(C(=O)[N-]c4nnc(C(F)(F)F)s4)sc3nc2c1 ZINC000005740527 560861818 /nfs/dbraw/zinc/86/18/18/560861818.db2.gz XXDKCUWCQBLYKQ-UHFFFAOYSA-N -1 3 409.418 4.463 50 0 HIAAHM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cccc(Cl)c1)CC(=O)N2 ZINC000046057155 568426118 /nfs/dbraw/zinc/42/61/18/568426118.db2.gz HLLMZNOIJAGLPZ-CQSZACIVSA-N -1 3 401.800 4.421 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cc(C)cc(C)c1 ZINC000046057770 568426369 /nfs/dbraw/zinc/42/63/69/568426369.db2.gz QXWZNQXVIZDPFW-KRWDZBQOSA-N -1 3 419.481 4.123 50 0 HIAAHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1 ZINC000048312774 568439020 /nfs/dbraw/zinc/43/90/20/568439020.db2.gz WQTKQWWNUMCDTH-UHFFFAOYSA-N -1 3 419.528 4.021 50 0 HIAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Br)s3)c2)n1 ZINC000049302807 568447099 /nfs/dbraw/zinc/44/70/99/568447099.db2.gz SGNJRJBKLBTMKL-UHFFFAOYSA-N -1 3 404.289 4.076 50 0 HIAAHM COC(=O)C[C@H](c1ccc(F)cc1)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095479832 568632752 /nfs/dbraw/zinc/63/27/52/568632752.db2.gz QINIXBUHSMQZCO-GOSISDBHSA-N -1 3 414.454 4.472 50 0 HIAAHM CC(C)(C)OC1CC(N2CC[C@@H](c3ccc(F)cc3)[C@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000096009253 568683733 /nfs/dbraw/zinc/68/37/33/568683733.db2.gz NYMQBVRQYKCILL-ZGUYJTEBSA-N -1 3 416.459 4.008 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3[nH]c2=O)S1 ZINC000096116832 568696215 /nfs/dbraw/zinc/69/62/15/568696215.db2.gz AHURCWULXLONKY-KDOFPFPSSA-N -1 3 424.526 4.034 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3ncccc3c2)CCO1 ZINC000096117413 568696887 /nfs/dbraw/zinc/69/68/87/568696887.db2.gz CZSQVMHTZHHEEM-DNVCBOLYSA-N -1 3 424.526 4.042 50 0 HIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C(=O)c2ccccc2)s1 ZINC000096119886 568699083 /nfs/dbraw/zinc/69/90/83/568699083.db2.gz JHCJZHAUUCNERO-UHFFFAOYSA-N -1 3 421.927 4.120 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000238899720 568727020 /nfs/dbraw/zinc/72/70/20/568727020.db2.gz HBUUSADWLVKENE-IPMKNSEASA-N -1 3 410.882 4.453 50 0 HIAAHM O=S(=O)([N-]CC1(Sc2ccccc2)CCOCC1)c1ccc(Cl)s1 ZINC000096331188 568735797 /nfs/dbraw/zinc/73/57/97/568735797.db2.gz YPSIHDSNASSNJQ-UHFFFAOYSA-N -1 3 403.978 4.021 50 0 HIAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1-c1nnc(C2CC2)o1 ZINC000096379645 568741154 /nfs/dbraw/zinc/74/11/54/568741154.db2.gz DJSVYWPFUVFURU-UHFFFAOYSA-N -1 3 406.895 4.322 50 0 HIAAHM CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000003022622 568840498 /nfs/dbraw/zinc/84/04/98/568840498.db2.gz VUMHTJVHJCDZGZ-UHFFFAOYSA-N -1 3 404.507 4.251 50 0 HIAAHM CSc1nncn1-c1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000012521416 568841875 /nfs/dbraw/zinc/84/18/75/568841875.db2.gz FOKPCLLEAMDUBX-UHFFFAOYSA-N -1 3 416.572 4.332 50 0 HIAAHM COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000003232034 568865184 /nfs/dbraw/zinc/86/51/84/568865184.db2.gz LHIXHCIGADWXKB-UHFFFAOYSA-N -1 3 414.458 4.196 50 0 HIAAHM COc1ccc(OC)c(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000003253199 568868141 /nfs/dbraw/zinc/86/81/41/568868141.db2.gz OGXJYEUCCZZKFR-UHFFFAOYSA-N -1 3 420.491 4.169 50 0 HIAAHM O=C1C(=Cc2cc(Br)ccc2[O-])NC(=S)N1Cc1ccccc1Cl ZINC000015282133 568869703 /nfs/dbraw/zinc/86/97/03/568869703.db2.gz QDNGQFDBNFQRQA-ZSOIEALJSA-N -1 3 423.719 4.066 50 0 HIAAHM COc1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1OC ZINC000003299226 568875816 /nfs/dbraw/zinc/87/58/16/568875816.db2.gz GTTJFMKOOMFHSZ-UHFFFAOYSA-N -1 3 405.476 4.413 50 0 HIAAHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000004173705 568921990 /nfs/dbraw/zinc/92/19/90/568921990.db2.gz KTALGZZLSWPJOY-OAHLLOKOSA-N -1 3 407.230 4.338 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccc(F)cc3)c2)cc1 ZINC000001405918 568927988 /nfs/dbraw/zinc/92/79/88/568927988.db2.gz QUEDDWUSJDFXHD-UHFFFAOYSA-N -1 3 401.459 4.352 50 0 HIAAHM CC(C)c1ccc(NC(=O)N2CCc3nc(Cc4cccc(F)c4)[n-]c(=O)c3C2)cc1 ZINC000004157641 568947142 /nfs/dbraw/zinc/94/71/42/568947142.db2.gz AUYXBLMSTIBSBI-UHFFFAOYSA-N -1 3 420.488 4.213 50 0 HIAAHM O=C(NCc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000007987336 568965212 /nfs/dbraw/zinc/96/52/12/568965212.db2.gz WLBXPNJXDYRUIN-UHFFFAOYSA-N -1 3 400.887 4.071 50 0 HIAAHM COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccs3)[n-]c2=S)c(OC)c1 ZINC000008151248 568977493 /nfs/dbraw/zinc/97/74/93/568977493.db2.gz VYVCIOQAEFXXDJ-HNNXBMFYSA-N -1 3 402.545 4.481 50 0 HIAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1F ZINC000006084959 568997403 /nfs/dbraw/zinc/99/74/03/568997403.db2.gz QCFUUTWWZRNETH-UHFFFAOYSA-N -1 3 410.833 4.046 50 0 HIAAHM O=C([N-]c1c2ccccc2oc1[C@@H](c1cccnc1)N1CCOCC1)c1ccco1 ZINC000015859332 569015048 /nfs/dbraw/zinc/01/50/48/569015048.db2.gz OWHFDDLAYMLWCR-OAQYLSRUSA-N -1 3 403.438 4.095 50 0 HIAAHM CC(C)(C)c1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)cc1 ZINC000006262703 569035998 /nfs/dbraw/zinc/03/59/98/569035998.db2.gz QRJBCTZGJMOGDM-IBGZPJMESA-N -1 3 410.392 4.239 50 0 HIAAHM O=S(=O)([N-]CCCn1ccnc1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000090583439 569041352 /nfs/dbraw/zinc/04/13/52/569041352.db2.gz AIAOWVADOGDSHH-UHFFFAOYSA-N -1 3 410.326 4.226 50 0 HIAAHM COc1ccc([C@@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32C)cc1 ZINC000248183478 569057690 /nfs/dbraw/zinc/05/76/90/569057690.db2.gz GBDLERWZMUYQPR-WRALFONMSA-N -1 3 414.461 4.136 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4ccccc4n3)ccc2C)cc1C ZINC000006748118 569108514 /nfs/dbraw/zinc/10/85/14/569108514.db2.gz SFFXPNHVIJXNJA-UHFFFAOYSA-N -1 3 407.495 4.428 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)c2nc(SCC)ncc2Cl)sc2c1CCC2 ZINC000006810479 569134405 /nfs/dbraw/zinc/13/44/05/569134405.db2.gz LNAGKFQJHWNIEM-UHFFFAOYSA-N -1 3 411.936 4.221 50 0 HIAAHM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000065115876 569179759 /nfs/dbraw/zinc/17/97/59/569179759.db2.gz HEXVWMDLBOILJO-UHFFFAOYSA-N -1 3 419.890 4.371 50 0 HIAAHM Cc1cc(Cl)ccc1OCCSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000006915654 569182099 /nfs/dbraw/zinc/18/20/99/569182099.db2.gz BSEOLWMVTZJNCX-UHFFFAOYSA-N -1 3 412.902 4.218 50 0 HIAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1-c1cccc(C)c1 ZINC000065171531 569190319 /nfs/dbraw/zinc/19/03/19/569190319.db2.gz QJDBIJGFXHMSOK-UHFFFAOYSA-N -1 3 402.903 4.198 50 0 HIAAHM Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)o1 ZINC000036714296 569224547 /nfs/dbraw/zinc/22/45/47/569224547.db2.gz BNHFKEPXXPCCLV-UHFFFAOYSA-N -1 3 414.347 4.101 50 0 HIAAHM Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)o1 ZINC000036714296 569224549 /nfs/dbraw/zinc/22/45/49/569224549.db2.gz BNHFKEPXXPCCLV-UHFFFAOYSA-N -1 3 414.347 4.101 50 0 HIAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1Cl ZINC000007285411 569231970 /nfs/dbraw/zinc/23/19/70/569231970.db2.gz NWNZVFFLCJUYFV-UHFFFAOYSA-N -1 3 412.898 4.072 50 0 HIAAHM O=C(Nc1cccc(N2CCCCCC2)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000170637433 569279818 /nfs/dbraw/zinc/27/98/18/569279818.db2.gz BANVPZFVXNMLGI-OAQYLSRUSA-N -1 3 407.514 4.016 50 0 HIAAHM O=C(NC1(c2ccccc2)CCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000040046927 571143025 /nfs/dbraw/zinc/14/30/25/571143025.db2.gz JGVNQZXYANGYGJ-UHFFFAOYSA-N -1 3 424.497 4.436 50 0 HIAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OC(C)C)c(OC)c3)c2)n1 ZINC000040122442 571178259 /nfs/dbraw/zinc/17/82/59/571178259.db2.gz NOTTVODMMIZCKT-UHFFFAOYSA-N -1 3 407.470 4.047 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000008961467 571190113 /nfs/dbraw/zinc/19/01/13/571190113.db2.gz NIOGCVWLTHLGKS-UHFFFAOYSA-N -1 3 424.478 4.187 50 0 HIAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009467918 571261322 /nfs/dbraw/zinc/26/13/22/571261322.db2.gz MQAHNESWYPSZIG-UHFFFAOYSA-N -1 3 422.506 4.193 50 0 HIAAHM C[C@@H](Sc1nc2ncccn2n1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000010074159 571294695 /nfs/dbraw/zinc/29/46/95/571294695.db2.gz FBZXZWJNHNOKPC-SECBINFHSA-N -1 3 412.525 4.004 50 0 HIAAHM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1(C)C ZINC000078515224 571313472 /nfs/dbraw/zinc/31/34/72/571313472.db2.gz TWJOHARRWGORHV-WFASDCNBSA-N -1 3 404.454 4.254 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000009508558 845572959 /nfs/dbraw/zinc/57/29/59/845572959.db2.gz FOXKXSNKAVIWGD-FRKPEAEDSA-N -1 3 422.506 4.456 50 0 HIAAHM Cc1ccc(CNC(=O)c2ccc3c(c2)CN(Cc2ccc([O-])c(F)c2)CCO3)cc1 ZINC000257183367 854233759 /nfs/dbraw/zinc/23/37/59/854233759.db2.gz HLUWIJVNOSFDLX-UHFFFAOYSA-N -1 3 420.484 4.164 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3N=NC(=S)N3c3ccccc3)cc2)cc1 ZINC000032099699 525594486 /nfs/dbraw/zinc/59/44/86/525594486.db2.gz KDCHNEGVPLHYNL-UHFFFAOYSA-N -1 3 422.535 4.332 50 0 HIAAHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000077184264 525777170 /nfs/dbraw/zinc/77/71/70/525777170.db2.gz PFNOWALSPLFEHS-LJQANCHMSA-N -1 3 407.944 4.255 50 0 HIAAHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000000673974 557050958 /nfs/dbraw/zinc/05/09/58/557050958.db2.gz BNDXFOOBGIEDJT-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM COC(=O)c1c([N-]C(=O)NCc2ccccn2)onc1-c1c(Cl)cccc1Cl ZINC000001042796 557154395 /nfs/dbraw/zinc/15/43/95/557154395.db2.gz VYLXLLLRZBGDQF-UHFFFAOYSA-N -1 3 421.240 4.152 50 0 HIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000002274490 557333442 /nfs/dbraw/zinc/33/34/42/557333442.db2.gz DHNGUHBZVSRBEK-KRWDZBQOSA-N -1 3 416.783 4.297 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)cc1 ZINC000002858593 557408669 /nfs/dbraw/zinc/40/86/69/557408669.db2.gz DIFITMOHGINOEA-UHFFFAOYSA-N -1 3 419.572 4.115 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000004880741 557609529 /nfs/dbraw/zinc/60/95/29/557609529.db2.gz OWEOLUJLBUHFAN-UHFFFAOYSA-N -1 3 400.456 4.458 50 0 HIAAHM COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc(I)c1[O-] ZINC000004988978 557621881 /nfs/dbraw/zinc/62/18/81/557621881.db2.gz JZAASMHKFMEDIL-ZFWWWQNUSA-N -1 3 401.288 4.160 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000008741697 557803967 /nfs/dbraw/zinc/80/39/67/557803967.db2.gz NBDBZMFKTUEVEG-NJDAHSKKSA-N -1 3 420.490 4.116 50 0 HIAAHM Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1Cl ZINC000024842594 558617137 /nfs/dbraw/zinc/61/71/37/558617137.db2.gz VKYZHJFALFKSNJ-UHFFFAOYSA-N -1 3 400.906 4.164 50 0 HIAAHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000014181114 558628292 /nfs/dbraw/zinc/62/82/92/558628292.db2.gz MBPFQEHVKZNRGT-UHFFFAOYSA-N -1 3 413.481 4.108 50 0 HIAAHM CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000014181114 558628294 /nfs/dbraw/zinc/62/82/94/558628294.db2.gz MBPFQEHVKZNRGT-UHFFFAOYSA-N -1 3 413.481 4.108 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)sc2c1CCC2 ZINC000027663896 558679204 /nfs/dbraw/zinc/67/92/04/558679204.db2.gz ZXFKCXZYOKJSPC-UHFFFAOYSA-N -1 3 412.467 4.329 50 0 HIAAHM COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(I)c1[O-] ZINC000015016318 558701998 /nfs/dbraw/zinc/70/19/98/558701998.db2.gz BLGBVGIJBKHOOG-FNORWQNLSA-N -1 3 419.218 4.430 50 0 HIAAHM Cc1nc(NC(=O)c2cc(-c3ccco3)[n-]n2)sc1Cc1ccc2c(c1)OCO2 ZINC000030607596 558734020 /nfs/dbraw/zinc/73/40/20/558734020.db2.gz PIBIJIORFAYOIO-UHFFFAOYSA-N -1 3 408.439 4.006 50 0 HIAAHM Cc1nc(NC(=O)c2cc(-c3ccco3)n[n-]2)sc1Cc1ccc2c(c1)OCO2 ZINC000030607596 558734022 /nfs/dbraw/zinc/73/40/22/558734022.db2.gz PIBIJIORFAYOIO-UHFFFAOYSA-N -1 3 408.439 4.006 50 0 HIAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(CN4CCCCC4)s3)c2)n1 ZINC000072301564 558751711 /nfs/dbraw/zinc/75/17/11/558751711.db2.gz ZWIYWSHNTSQIGS-UHFFFAOYSA-N -1 3 408.527 4.045 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000016293428 558784392 /nfs/dbraw/zinc/78/43/92/558784392.db2.gz WJAPICBEBFCNKI-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000059745651 558938717 /nfs/dbraw/zinc/93/87/17/558938717.db2.gz XVBKFQBMBIHKND-CYBMUJFWSA-N -1 3 416.312 4.034 50 0 HIAAHM Cc1ccccc1C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033272949 559034466 /nfs/dbraw/zinc/03/44/66/559034466.db2.gz PRVBNYNDIHEWGY-UHFFFAOYSA-N -1 3 424.501 4.258 50 0 HIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)cc(N(C)C)n1 ZINC000033318462 559055822 /nfs/dbraw/zinc/05/58/22/559055822.db2.gz BOSDXAGPQPFBEA-UHFFFAOYSA-N -1 3 417.922 4.049 50 0 HIAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc(N(C)C)n1 ZINC000033318453 559055947 /nfs/dbraw/zinc/05/59/47/559055947.db2.gz LVMKUDILKMMVEW-UHFFFAOYSA-N -1 3 417.922 4.049 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)OC(C)C)C(F)(F)F ZINC000004794724 559066313 /nfs/dbraw/zinc/06/63/13/559066313.db2.gz RXFAOWSSJHIXSW-CQSZACIVSA-N -1 3 416.318 4.074 50 0 HIAAHM O=C1CCN(Cc2ccc([O-])c(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000095519082 559084979 /nfs/dbraw/zinc/08/49/79/559084979.db2.gz UCOYOKXPXTYXJT-UHFFFAOYSA-N -1 3 412.839 4.299 50 0 HIAAHM Cc1ccc(NC(=O)c2ccc(Cl)o2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000023989146 559187061 /nfs/dbraw/zinc/18/70/61/559187061.db2.gz VPAMOIACUNUULM-UHFFFAOYSA-N -1 3 408.838 4.434 50 0 HIAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc3c2N(CCC3)C1=O ZINC000005153999 559254340 /nfs/dbraw/zinc/25/43/40/559254340.db2.gz VYVGUBKNUQQHJK-JTQLQIEISA-N -1 3 411.310 4.191 50 0 HIAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccn2)cs1 ZINC000005244349 560550073 /nfs/dbraw/zinc/55/00/73/560550073.db2.gz JPNOPLFGEQNKAA-KRWDZBQOSA-N -1 3 408.380 4.210 50 0 HIAAHM C[C@@H]1CCc2c(sc3[n-]c(COC(=O)c4cccc(OC(F)F)c4)nc(=O)c23)C1 ZINC000003274549 560591266 /nfs/dbraw/zinc/59/12/66/560591266.db2.gz OVANAZTVSBMVMT-SNVBAGLBSA-N -1 3 420.437 4.068 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000017991480 560733191 /nfs/dbraw/zinc/73/31/91/560733191.db2.gz XAMWYDMNVIRRQK-TZRRMPRUSA-N -1 3 421.456 4.286 50 0 HIAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)cc1C ZINC000101796900 560801722 /nfs/dbraw/zinc/80/17/22/560801722.db2.gz MLHLSYAFVTWHTP-UHFFFAOYSA-N -1 3 416.529 4.382 50 0 HIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c(OC)c1 ZINC000102749920 560824427 /nfs/dbraw/zinc/82/44/27/560824427.db2.gz LFVLZNCZQBASAJ-NSPYISDASA-N -1 3 408.414 4.309 50 0 HIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)c1 ZINC000102765567 560825119 /nfs/dbraw/zinc/82/51/19/560825119.db2.gz RDNUDPXUHZXUGP-RJGXRXQPSA-N -1 3 414.461 4.055 50 0 HIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000102861322 560831863 /nfs/dbraw/zinc/83/18/63/560831863.db2.gz YIUVGXMAJGCVAH-YTFSRNRJSA-N -1 3 414.461 4.055 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cc(C)cc(C)c1 ZINC000046057767 568426339 /nfs/dbraw/zinc/42/63/39/568426339.db2.gz QXWZNQXVIZDPFW-QGZVFWFLSA-N -1 3 419.481 4.123 50 0 HIAAHM Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)[N-]c2noc3ccccc32)o1 ZINC000012249930 568455894 /nfs/dbraw/zinc/45/58/94/568455894.db2.gz JGRKPJPNLHZVMJ-UHFFFAOYSA-N -1 3 410.451 4.097 50 0 HIAAHM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000000826731 568499334 /nfs/dbraw/zinc/49/93/34/568499334.db2.gz RVKHYOKJLNSLMY-UHFFFAOYSA-N -1 3 400.887 4.071 50 0 HIAAHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1CCc2ccsc2C1 ZINC000225449251 568639063 /nfs/dbraw/zinc/63/90/63/568639063.db2.gz QPDLREYQBGZYMN-UHFFFAOYSA-N -1 3 423.719 4.204 50 0 HIAAHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1CCc2ccsc2C1 ZINC000225449251 568639065 /nfs/dbraw/zinc/63/90/65/568639065.db2.gz QPDLREYQBGZYMN-UHFFFAOYSA-N -1 3 423.719 4.204 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3[nH]c2=O)S1 ZINC000096116835 568696371 /nfs/dbraw/zinc/69/63/71/568696371.db2.gz AHURCWULXLONKY-KBXCAEBGSA-N -1 3 424.526 4.034 50 0 HIAAHM COc1cc(CN2CCC[C@H]3CCCC[C@H]32)cc(I)c1[O-] ZINC000229912485 568715960 /nfs/dbraw/zinc/71/59/60/568715960.db2.gz JZAASMHKFMEDIL-UKRRQHHQSA-N -1 3 401.288 4.160 50 0 HIAAHM Cc1ccccc1OCCN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000015099653 568755922 /nfs/dbraw/zinc/75/59/22/568755922.db2.gz TWXTYBGPYZPOHA-UHFFFAOYSA-N -1 3 405.523 4.471 50 0 HIAAHM COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)cc(Br)c1[O-] ZINC000003647445 568866106 /nfs/dbraw/zinc/86/61/06/568866106.db2.gz FVJBGCNKGRQIOZ-BCTVWOGZSA-N -1 3 423.332 4.204 50 0 HIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl ZINC000003361085 568888162 /nfs/dbraw/zinc/88/81/62/568888162.db2.gz ZECIEAGYYNLBFO-SFHVURJKSA-N -1 3 420.962 4.224 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(CC(C)C)=C[C@]2([O-])C(F)(F)F)c1 ZINC000004163580 568918354 /nfs/dbraw/zinc/91/83/54/568918354.db2.gz HTBSWMYYWNOREB-IBGZPJMESA-N -1 3 400.441 4.383 50 0 HIAAHM CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)C1CCCCC1 ZINC000012737759 568925397 /nfs/dbraw/zinc/92/53/97/568925397.db2.gz MPZFKXRDZRLIJD-UHFFFAOYSA-N -1 3 420.962 4.223 50 0 HIAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCC3)C1(c2ccc(F)cc2)CCCC1 ZINC000012759836 568943938 /nfs/dbraw/zinc/94/39/38/568943938.db2.gz TULLLPZFXHLBOS-UHFFFAOYSA-N -1 3 412.486 4.168 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c(C)c1 ZINC000004270389 568956771 /nfs/dbraw/zinc/95/67/71/568956771.db2.gz MMFCIJQDKGCTMS-UHFFFAOYSA-N -1 3 419.506 4.112 50 0 HIAAHM Cc1cc(N2CCn3c4ccccc4nc3C2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000015671414 568962163 /nfs/dbraw/zinc/96/21/63/568962163.db2.gz MJJGRCFVWNUCEC-UHFFFAOYSA-N -1 3 418.522 4.166 50 0 HIAAHM O=c1nc(CSc2nnnn2C2CCCC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000008232312 568984493 /nfs/dbraw/zinc/98/44/93/568984493.db2.gz RITXSUXJEALKNM-UHFFFAOYSA-N -1 3 410.528 4.046 50 0 HIAAHM CCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2c1nc[n-]c2=O ZINC000085703870 569007224 /nfs/dbraw/zinc/00/72/24/569007224.db2.gz ZBESTFPGSZBKFS-UHFFFAOYSA-N -1 3 401.879 4.049 50 0 HIAAHM Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(C)cc4[O-])c(=O)c23)cc1 ZINC000012852716 569010591 /nfs/dbraw/zinc/01/05/91/569010591.db2.gz GNYJYNHVMHNFAK-UHFFFAOYSA-N -1 3 419.506 4.476 50 0 HIAAHM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000012867225 569012185 /nfs/dbraw/zinc/01/21/85/569012185.db2.gz OQMBWJFFRULBFF-UHFFFAOYSA-N -1 3 412.486 4.207 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCc2c(F)cccc2Cl)S1 ZINC000015832970 569012809 /nfs/dbraw/zinc/01/28/09/569012809.db2.gz CQHMBZIDGJLOJN-GOSISDBHSA-N -1 3 421.881 4.059 50 0 HIAAHM CC(C)(C)c1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)cc1 ZINC000006262702 569035979 /nfs/dbraw/zinc/03/59/79/569035979.db2.gz QRJBCTZGJMOGDM-LJQANCHMSA-N -1 3 410.392 4.239 50 0 HIAAHM Cc1c(C[N-]S(=O)(=O)c2ccccc2F)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593889 569041529 /nfs/dbraw/zinc/04/15/29/569041529.db2.gz WIQRAIVOXUNOEV-UHFFFAOYSA-N -1 3 419.478 4.128 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557517 569044737 /nfs/dbraw/zinc/04/47/37/569044737.db2.gz HYRWRZVMEUPFBK-UHFFFAOYSA-N -1 3 407.492 4.073 50 0 HIAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2C)c1 ZINC000245311970 569055778 /nfs/dbraw/zinc/05/57/78/569055778.db2.gz RDNUDPXUHZXUGP-DNVJHFABSA-N -1 3 414.461 4.055 50 0 HIAAHM CCOc1cccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@H](C)C5)c(=O)oc21 ZINC000006748596 569108963 /nfs/dbraw/zinc/10/89/63/569108963.db2.gz BTGYIKWAZFTXBZ-NSHDSACASA-N -1 3 408.479 4.282 50 0 HIAAHM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000064979559 569141031 /nfs/dbraw/zinc/14/10/31/569141031.db2.gz XLVGJWCHVXRBEB-UHFFFAOYSA-N -1 3 423.288 4.222 50 0 HIAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cn2cnc3ccccc3c2=O)cc1 ZINC000036360528 569151641 /nfs/dbraw/zinc/15/16/41/569151641.db2.gz YHSLZSXKJUCGTA-UHFFFAOYSA-N -1 3 405.841 4.056 50 0 HIAAHM CCc1ccc(OCCSc2nc(-c3ccc(C)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000006915739 569181101 /nfs/dbraw/zinc/18/11/01/569181101.db2.gz YEMIZHMCKPWIIG-UHFFFAOYSA-N -1 3 406.511 4.127 50 0 HIAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CCCCC3)c2)cc1 ZINC000006919336 569181617 /nfs/dbraw/zinc/18/16/17/569181617.db2.gz RMTGDXJGTJJWCI-UHFFFAOYSA-N -1 3 420.506 4.088 50 0 HIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)c(C)c1 ZINC000006934996 569184533 /nfs/dbraw/zinc/18/45/33/569184533.db2.gz RAKNVKLOGNOIMA-KRWDZBQOSA-N -1 3 412.555 4.490 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000006942486 569186836 /nfs/dbraw/zinc/18/68/36/569186836.db2.gz YLGFCLPRUGZSNA-UHFFFAOYSA-N -1 3 413.813 4.339 50 0 HIAAHM Cc1c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nnn1-c1cccc2cccnc21 ZINC000170623398 569249771 /nfs/dbraw/zinc/24/97/71/569249771.db2.gz RTERBITTYTUFGZ-UHFFFAOYSA-N -1 3 401.470 4.379 50 0 HIAAHM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000170638081 569280222 /nfs/dbraw/zinc/28/02/22/569280222.db2.gz DZBGZLUWSMPZCY-UHFFFAOYSA-N -1 3 411.299 4.094 50 0 HIAAHM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2n[n-]c(COc3ccccc3C)n2)c1C ZINC000007645531 569298438 /nfs/dbraw/zinc/29/84/38/569298438.db2.gz GDXULYQVWUWRRX-OAHLLOKOSA-N -1 3 412.515 4.203 50 0 HIAAHM Cc1oc(-c2ccc(C(C)C)cc2)nc1CSc1nc2c(nc(C)[n-]c2=O)n1C ZINC000019625925 569426084 /nfs/dbraw/zinc/42/60/84/569426084.db2.gz AQGUPGSULUAGLY-UHFFFAOYSA-N -1 3 409.515 4.344 50 0 HIAAHM Cc1ccc(Cn2ncc([C@@]([O-])(c3nc4ccccc4s3)C(F)(F)F)c2N)s1 ZINC000008718101 571105774 /nfs/dbraw/zinc/10/57/74/571105774.db2.gz MAHPASFKWRKVLB-QGZVFWFLSA-N -1 3 424.473 4.291 50 0 HIAAHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2F)C[C@@H](C)O1 ZINC000040152629 571200299 /nfs/dbraw/zinc/20/02/99/571200299.db2.gz BREJORDVNZMRDB-VXGBXAGGSA-N -1 3 416.877 4.033 50 0 HIAAHM O=c1nc(CSc2nnc3n2CCCCC3)[n-]c2sc(-c3ccccc3)cc21 ZINC000009223857 571238877 /nfs/dbraw/zinc/23/88/77/571238877.db2.gz IDYBGQKHWLJHQG-UHFFFAOYSA-N -1 3 409.540 4.262 50 0 HIAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c(C)c1C ZINC000009377969 571253369 /nfs/dbraw/zinc/25/33/69/571253369.db2.gz JNWPLEXGWUVWQI-UHFFFAOYSA-N -1 3 416.572 4.309 50 0 HIAAHM CC(=O)N1CCc2c(sc([N-]C(=O)c3ccno3)c2-c2nc3ccccc3s2)C1 ZINC000009625277 571274421 /nfs/dbraw/zinc/27/44/21/571274421.db2.gz KPMYDTOESMXTCC-UHFFFAOYSA-N -1 3 424.507 4.170 50 0 HIAAHM COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c2ccccc12 ZINC000010293747 571299501 /nfs/dbraw/zinc/29/95/01/571299501.db2.gz BJTOXOHABQFTRV-UHFFFAOYSA-N -1 3 404.466 4.045 50 0 HIAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000077196353 571312492 /nfs/dbraw/zinc/31/24/92/571312492.db2.gz RIQAAEAFPYIXIB-UHFFFAOYSA-N -1 3 414.409 4.321 50 0 HIAAHM CCCn1c(=O)[n-]nc1S[C@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000032325604 521633229 /nfs/dbraw/zinc/63/32/29/521633229.db2.gz NOEALGZSAKCMED-ZDUSSCGKSA-N -1 3 402.442 4.168 50 0 HIAAHM Cc1ccc(SCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)c2)cc1 ZINC000001124820 557194439 /nfs/dbraw/zinc/19/44/39/557194439.db2.gz VPSBJHOFEYFNDZ-UHFFFAOYSA-N -1 3 418.474 4.402 50 0 HIAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000002274491 557333447 /nfs/dbraw/zinc/33/34/47/557333447.db2.gz DHNGUHBZVSRBEK-QGZVFWFLSA-N -1 3 416.783 4.297 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3cccc(O)c3)on2)sc2c1CCCC2 ZINC000004881105 557609641 /nfs/dbraw/zinc/60/96/41/557609641.db2.gz BCAIRCVZEGBAME-UHFFFAOYSA-N -1 3 412.467 4.417 50 0 HIAAHM CCOc1c(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Cl)cc1OC ZINC000010475452 558258259 /nfs/dbraw/zinc/25/82/59/558258259.db2.gz AEVURTCIPVYRCE-GOSISDBHSA-N -1 3 402.878 4.014 50 0 HIAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020745521 558410285 /nfs/dbraw/zinc/41/02/85/558410285.db2.gz LJJOLSCVTSDPLN-LJQANCHMSA-N -1 3 404.297 4.423 50 0 HIAAHM CCCOc1c(Br)cc(CNCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000020932911 558424409 /nfs/dbraw/zinc/42/44/09/558424409.db2.gz KNHNTSPKELSZNB-UHFFFAOYSA-N -1 3 408.292 4.235 50 0 HIAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1Cl ZINC000022364199 558483490 /nfs/dbraw/zinc/48/34/90/558483490.db2.gz XOOPNPHORZJJKI-UHFFFAOYSA-N -1 3 420.840 4.086 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(F)c1 ZINC000013811230 558595858 /nfs/dbraw/zinc/59/58/58/558595858.db2.gz SCLQDEBYMGJAFU-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM CCN(Cc1ccc(Cl)s1)C(=O)CCc1c(C)nc(-c2ccccc2)[n-]c1=O ZINC000026934771 558667268 /nfs/dbraw/zinc/66/72/68/558667268.db2.gz QIBWLFOMAKCWLB-UHFFFAOYSA-N -1 3 415.946 4.442 50 0 HIAAHM COc1ccccc1OCC(=O)[N-]c1cc(-c2ccc(Br)cc2)no1 ZINC000027747359 558681528 /nfs/dbraw/zinc/68/15/28/558681528.db2.gz KAFJNARVOZQQFS-UHFFFAOYSA-N -1 3 403.232 4.130 50 0 HIAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(F)c1 ZINC000015600491 558745574 /nfs/dbraw/zinc/74/55/74/558745574.db2.gz ONYZKBAMIMOZJV-UHFFFAOYSA-N -1 3 402.422 4.326 50 0 HIAAHM COC(=O)c1ccc(C)c(-c2ccc(/C=C3\[N-]C(=O)N(c4ccccc4)C3=O)o2)c1 ZINC000004698975 558906998 /nfs/dbraw/zinc/90/69/98/558906998.db2.gz RSJOXUOUJPTDRT-UYRXBGFRSA-N -1 3 402.406 4.139 50 0 HIAAHM CCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1 ZINC000004745518 559046538 /nfs/dbraw/zinc/04/65/38/559046538.db2.gz ARRYSENNYXRMCU-UHFFFAOYSA-N -1 3 413.326 4.249 50 0 HIAAHM CSc1nc(N2[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)C(=O)[C@@H]2O)n[n-]1 ZINC000101353770 560792182 /nfs/dbraw/zinc/79/21/82/560792182.db2.gz VJDNVTCPFXKLIY-RDJZCZTQSA-N -1 3 400.891 4.029 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102690785 560819926 /nfs/dbraw/zinc/81/99/26/560819926.db2.gz AXIORQHCBDQORL-FDFHNCONSA-N -1 3 418.449 4.120 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000102763163 560824984 /nfs/dbraw/zinc/82/49/84/560824984.db2.gz RPNKTIDKSYHAFW-FDFHNCONSA-N -1 3 402.425 4.185 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000102762231 560826302 /nfs/dbraw/zinc/82/63/02/560826302.db2.gz PFUFINGZQLOXFT-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000102761595 560826343 /nfs/dbraw/zinc/82/63/43/560826343.db2.gz FSJBFYBIIHAIFO-XPWALMASSA-N -1 3 414.461 4.055 50 0 HIAAHM COc1cccc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c1OC ZINC000102836562 560829870 /nfs/dbraw/zinc/82/98/70/560829870.db2.gz DQDIWWHIFUIDGN-ZMZPIMSZSA-N -1 3 408.414 4.309 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000103082369 560837700 /nfs/dbraw/zinc/83/77/00/560837700.db2.gz UZEJVECWEUQYJT-PWRODBHTSA-N -1 3 404.853 4.391 50 0 HIAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012226351 560894511 /nfs/dbraw/zinc/89/45/11/560894511.db2.gz AIRKOYJSAVHXRP-UHFFFAOYSA-N -1 3 418.906 4.382 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1-c1nc(C(C)C)no1 ZINC000046020265 568423974 /nfs/dbraw/zinc/42/39/74/568423974.db2.gz JIQQBXZPYRYYTA-UHFFFAOYSA-N -1 3 401.488 4.286 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020321 568424006 /nfs/dbraw/zinc/42/40/06/568424006.db2.gz IQAAIUWSNTXMSD-UHFFFAOYSA-N -1 3 417.487 4.068 50 0 HIAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc3cccnc32)CC1 ZINC000048326192 568439015 /nfs/dbraw/zinc/43/90/15/568439015.db2.gz OZBROMJZGHTXED-UHFFFAOYSA-N -1 3 424.888 4.476 50 0 HIAAHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(NCc2ccccc2)n1 ZINC000049550790 568451922 /nfs/dbraw/zinc/45/19/22/568451922.db2.gz CGQCFEMLMJLZEU-UHFFFAOYSA-N -1 3 407.524 4.450 50 0 HIAAHM COc1ccccc1[C@@H](c1c([O-])[nH]c(=S)[n-]c1=O)[N@H+](Cc1ccccc1)C(C)C ZINC000020156106 568591037 /nfs/dbraw/zinc/59/10/37/568591037.db2.gz WQFDSNXMKHQDRO-IBGZPJMESA-N -1 3 411.527 4.147 50 0 HIAAHM COc1ccccc1[C@@H](c1c([O-])[nH]c(=S)[n-]c1=O)[N@@H+](Cc1ccccc1)C(C)C ZINC000020156106 568591038 /nfs/dbraw/zinc/59/10/38/568591038.db2.gz WQFDSNXMKHQDRO-IBGZPJMESA-N -1 3 411.527 4.147 50 0 HIAAHM COC(=O)C[C@@H](c1ccccc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479054 568632148 /nfs/dbraw/zinc/63/21/48/568632148.db2.gz KDFWVHKFLUNJIS-INIZCTEOSA-N -1 3 414.454 4.472 50 0 HIAAHM COC(=O)C[C@H](c1ccccc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479055 568632157 /nfs/dbraw/zinc/63/21/57/568632157.db2.gz KDFWVHKFLUNJIS-MRXNPFEDSA-N -1 3 414.454 4.472 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000021164739 568674762 /nfs/dbraw/zinc/67/47/62/568674762.db2.gz KYNVTRGUGUFYMM-UHFFFAOYSA-N -1 3 406.482 4.178 50 0 HIAAHM CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1nnc2ccccc2c1[O-] ZINC000096012091 568684614 /nfs/dbraw/zinc/68/46/14/568684614.db2.gz HNFMOAHEGAJUFB-GOSISDBHSA-N -1 3 416.525 4.285 50 0 HIAAHM O=S(=O)([N-]Cc1cccc(Oc2ccccn2)c1)c1ccccc1C(F)(F)F ZINC000096382839 568741657 /nfs/dbraw/zinc/74/16/57/568741657.db2.gz LXULEFQJAHFBAX-UHFFFAOYSA-N -1 3 408.401 4.371 50 0 HIAAHM O=S(=O)([N-][C@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001024440 568763724 /nfs/dbraw/zinc/76/37/24/568763724.db2.gz DHIZWCLBXONYAF-CYBMUJFWSA-N -1 3 415.125 4.435 50 0 HIAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CN(C)C ZINC000001233995 568882077 /nfs/dbraw/zinc/88/20/77/568882077.db2.gz UJLZWNQHEVGZBY-UHFFFAOYSA-N -1 3 417.303 4.337 50 0 HIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCc2ccccc21 ZINC000003368777 568889473 /nfs/dbraw/zinc/88/94/73/568889473.db2.gz QBWBIEMFIQEJPA-INIZCTEOSA-N -1 3 410.333 4.204 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cnc4ccccc4n3)cc2)cc1 ZINC000001384822 568922212 /nfs/dbraw/zinc/92/22/12/568922212.db2.gz LLXKRPKANOSMHV-UHFFFAOYSA-N -1 3 407.451 4.232 50 0 HIAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000004200076 568951514 /nfs/dbraw/zinc/95/15/14/568951514.db2.gz WPOHPRPEKOYTTN-INIZCTEOSA-N -1 3 408.873 4.459 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)c(C)c1 ZINC000015671317 568961783 /nfs/dbraw/zinc/96/17/83/568961783.db2.gz CKNHMWXAYXRGOL-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(I)cc1C ZINC000008424532 569002030 /nfs/dbraw/zinc/00/20/30/569002030.db2.gz NSTMPUZTOAHHGJ-WJDWOHSUSA-N -1 3 417.250 4.318 50 0 HIAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557103 569044728 /nfs/dbraw/zinc/04/47/28/569044728.db2.gz DYCFPRDYVINPRI-UHFFFAOYSA-N -1 3 409.920 4.198 50 0 HIAAHM CCOc1cc(C(=O)CCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[O-] ZINC000006657736 569083344 /nfs/dbraw/zinc/08/33/44/569083344.db2.gz JXUIJGDJZBAMIT-QFIPXVFZSA-N -1 3 409.486 4.144 50 0 HIAAHM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc21 ZINC000064952142 569132645 /nfs/dbraw/zinc/13/26/45/569132645.db2.gz NNTZRMMQVUGOKJ-UHFFFAOYSA-N -1 3 414.911 4.129 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc(F)cc1F ZINC000065034996 569158561 /nfs/dbraw/zinc/15/85/61/569158561.db2.gz GBRYIDPXWQIXLW-UHFFFAOYSA-N -1 3 421.806 4.008 50 0 HIAAHM CC1CCC([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)CC1 ZINC000065098103 569177024 /nfs/dbraw/zinc/17/70/24/569177024.db2.gz GLGLKWADWRMZKM-UHFFFAOYSA-N -1 3 421.519 4.461 50 0 HIAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000017135502 569275251 /nfs/dbraw/zinc/27/52/51/569275251.db2.gz HUDHOBCZOAYXMO-UHFFFAOYSA-N -1 3 423.542 4.238 50 0 HIAAHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000037384071 569295177 /nfs/dbraw/zinc/29/51/77/569295177.db2.gz GDTDWXKQXDCZBW-JOYOIKCWSA-N -1 3 411.159 4.069 50 0 HIAAHM COc1ccc(-n2c3ccccc3nc2SCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000009950994 569394565 /nfs/dbraw/zinc/39/45/65/569394565.db2.gz YSFGKZXVBUKCSK-UHFFFAOYSA-N -1 3 423.519 4.144 50 0 HIAAHM O=C(Nc1ccccc1[O-])c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040019992 571139432 /nfs/dbraw/zinc/13/94/32/571139432.db2.gz IYJUEJBYLUVKAJ-UHFFFAOYSA-N -1 3 404.510 4.477 50 0 HIAAHM O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2n[n-]nc2c1 ZINC000009657627 571276821 /nfs/dbraw/zinc/27/68/21/571276821.db2.gz AYDRZQNEPVFJNL-UHFFFAOYSA-N -1 3 400.261 4.096 50 0 HIAAHM Cc1sc2[n-]c(CSc3nc(C)cc(N)n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000071858225 571303668 /nfs/dbraw/zinc/30/36/68/571303668.db2.gz GENCJIBQJQEOFD-UHFFFAOYSA-N -1 3 409.540 4.241 50 0 HIAAHM [O-][C@@](c1nc2ccccc2s1)(c1cc2c3c(c1O)CCCN3CCC2)C(F)(F)F ZINC000008780092 132333403 /nfs/dbraw/zinc/33/34/03/132333403.db2.gz BZBNWTHMAMUZOQ-HXUWFJFHSA-N -1 3 420.456 4.499 50 0 HIAAHM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000032943903 519635200 /nfs/dbraw/zinc/63/52/00/519635200.db2.gz XTDHDORYVNISFG-SNVBAGLBSA-N -1 3 414.911 4.127 50 0 HIAAHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OC(C)C ZINC000040728905 522465403 /nfs/dbraw/zinc/46/54/03/522465403.db2.gz GLQZSKBNTGAPIV-UHFFFAOYSA-N -1 3 408.292 4.233 50 0 HIAAHM CN(Cc1ccc(F)cc1F)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000032928406 523259609 /nfs/dbraw/zinc/25/96/09/523259609.db2.gz JIGVRDLRGIDKHI-QFIPXVFZSA-N -1 3 424.447 4.190 50 0 HIAAHM Cc1c([O-])ccc2c(COC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc(=O)oc12 ZINC000032883961 525878666 /nfs/dbraw/zinc/87/86/66/525878666.db2.gz QEYXWBRPNVZATI-UHFFFAOYSA-N -1 3 423.396 4.277 50 0 HIAAHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl ZINC000032797525 527234541 /nfs/dbraw/zinc/23/45/41/527234541.db2.gz VZPHVFWTRWJQLM-UHFFFAOYSA-N -1 3 406.838 4.447 50 0 HIAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccccc1F ZINC000000678616 557054554 /nfs/dbraw/zinc/05/45/54/557054554.db2.gz WDCWHLRRTYMTKO-UHFFFAOYSA-N -1 3 407.426 4.466 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)c2nc(SC)ncc2Cl)sc2c1CCCC2 ZINC000001069639 557168757 /nfs/dbraw/zinc/16/87/57/557168757.db2.gz XTDFSQYQBICRPT-UHFFFAOYSA-N -1 3 411.936 4.221 50 0 HIAAHM O=C(COc1ccc(Cl)cc1)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000001121771 557191555 /nfs/dbraw/zinc/19/15/55/557191555.db2.gz RSBONVUSZXVHLY-UHFFFAOYSA-N -1 3 422.824 4.033 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050547 557300942 /nfs/dbraw/zinc/30/09/42/557300942.db2.gz DHMBXDRTNSPXIM-QGZVFWFLSA-N -1 3 400.784 4.004 50 0 HIAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCCc3ccccc3)cc2)cc1 ZINC000004674039 557579921 /nfs/dbraw/zinc/57/99/21/557579921.db2.gz GIFKRDOJMANFHO-UHFFFAOYSA-N -1 3 410.495 4.067 50 0 HIAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(C)c1)C(F)(F)F ZINC000008637079 557798025 /nfs/dbraw/zinc/79/80/25/557798025.db2.gz QRYCMMPLBPRJLR-KRWDZBQOSA-N -1 3 416.783 4.215 50 0 HIAAHM O=c1nc(CN2CCN(Cc3cccs3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000022786887 557820379 /nfs/dbraw/zinc/82/03/79/557820379.db2.gz ARFSEWRVYZBOAM-UHFFFAOYSA-N -1 3 422.579 4.031 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000022146130 558464693 /nfs/dbraw/zinc/46/46/93/558464693.db2.gz VNINLAMAEGHNIE-INIZCTEOSA-N -1 3 419.241 4.482 50 0 HIAAHM Fc1ccccc1[N-]c1nnc(SC[C@@H]2CN(Cc3ccccc3)CCO2)s1 ZINC000023508201 558560481 /nfs/dbraw/zinc/56/04/81/558560481.db2.gz PKHXXPODVOYHDM-INIZCTEOSA-N -1 3 416.547 4.414 50 0 HIAAHM CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1ccccc1OC ZINC000023525055 558560854 /nfs/dbraw/zinc/56/08/54/558560854.db2.gz WPXZYVZIJMAGHK-UHFFFAOYSA-N -1 3 423.494 4.386 50 0 HIAAHM CCc1cc2c(CSc3nnc(-c4ccccc4OC)o3)cc(=O)oc2cc1[O-] ZINC000014196482 558633395 /nfs/dbraw/zinc/63/33/95/558633395.db2.gz IZUHWRTWGDNWIJ-UHFFFAOYSA-N -1 3 410.451 4.412 50 0 HIAAHM CSCc1nc(=O)c2c(C)c(C(=O)N[C@H]3CCSc4ccccc43)sc2[n-]1 ZINC000014252761 558650546 /nfs/dbraw/zinc/65/05/46/558650546.db2.gz DQVIMEARKJDVMI-LBPRGKRZSA-N -1 3 417.581 4.123 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)c(C)c1 ZINC000015869549 558760143 /nfs/dbraw/zinc/76/01/43/558760143.db2.gz JGYFLVXFAATJES-UHFFFAOYSA-N -1 3 424.522 4.045 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c(C)c1 ZINC000033115544 558761779 /nfs/dbraw/zinc/76/17/79/558761779.db2.gz YWXUUEKPLRLFTF-UHFFFAOYSA-N -1 3 414.571 4.216 50 0 HIAAHM COc1cc(S(=O)(=O)[N-]CCC23CC4CC(CC(C4)C2)C3)c(OC)cc1Cl ZINC000004580385 558762540 /nfs/dbraw/zinc/76/25/40/558762540.db2.gz HESSJCLEMRBJEL-UHFFFAOYSA-N -1 3 413.967 4.242 50 0 HIAAHM COc1cccc(-c2cnc(NCc3cc(Br)c([O-])c(OC)c3)n2C)c1 ZINC000004678550 558889771 /nfs/dbraw/zinc/88/97/71/558889771.db2.gz WEDQOBHSRXSZFM-UHFFFAOYSA-N -1 3 418.291 4.185 50 0 HIAAHM CCc1ccc([C@H](NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C(C)C)cc1 ZINC000058005034 558894479 /nfs/dbraw/zinc/89/44/79/558894479.db2.gz NXXYHCNTLFCFCN-HSZRJFAPSA-N -1 3 418.541 4.149 50 0 HIAAHM Cc1nc(CN(CC(C)C)C(=O)C(C)C)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096318003 559109802 /nfs/dbraw/zinc/10/98/02/559109802.db2.gz RMIAZCSCXMBMKR-UHFFFAOYSA-N -1 3 423.479 4.329 50 0 HIAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(Br)cc1 ZINC000014255185 559162519 /nfs/dbraw/zinc/16/25/19/559162519.db2.gz BSXIVSUAXGZQFK-UHFFFAOYSA-N -1 3 409.074 4.152 50 0 HIAAHM CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@H]1N([O-])C(=O)NC1CCCCC1 ZINC000050255286 559180967 /nfs/dbraw/zinc/18/09/67/559180967.db2.gz BEZFKIFUNBMZBA-INIZCTEOSA-N -1 3 411.568 4.498 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC[C@H](C)C3)c2)cc1 ZINC000004865410 559193778 /nfs/dbraw/zinc/19/37/78/559193778.db2.gz ZOWLWBVSVAVCFZ-INIZCTEOSA-N -1 3 416.543 4.067 50 0 HIAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc3c2N(CCC3)C1=O ZINC000005153939 559254319 /nfs/dbraw/zinc/25/43/19/559254319.db2.gz MZCRXWJEVHPLAL-JTQLQIEISA-N -1 3 411.310 4.191 50 0 HIAAHM Cc1ccc(C)c(-c2csc(NC(=O)CCc3c(C)[nH]c(=S)[n-]c3=O)n2)c1 ZINC000011811679 559260268 /nfs/dbraw/zinc/26/02/68/559260268.db2.gz UXWOWPHWUULHBB-UHFFFAOYSA-N -1 3 400.529 4.053 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000135682037 559276383 /nfs/dbraw/zinc/27/63/83/559276383.db2.gz RHXGJHVZAGXKTP-IPMKNSEASA-N -1 3 410.882 4.453 50 0 HIAAHM O=C([N-]c1nnc(COc2ccccc2)o1)c1cc(Br)ccc1Cl ZINC000061973972 560564306 /nfs/dbraw/zinc/56/43/06/560564306.db2.gz RYDMDUZWRWVEIS-UHFFFAOYSA-N -1 3 408.639 4.317 50 0 HIAAHM CCOc1ccc2nc([N-]C(=O)c3coc(NC(=O)c4ccsc4)n3)sc2c1 ZINC000206623865 560603489 /nfs/dbraw/zinc/60/34/89/560603489.db2.gz ABRRPPKLDUTTJZ-UHFFFAOYSA-N -1 3 414.468 4.249 50 0 HIAAHM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)S1 ZINC000001207183 560727867 /nfs/dbraw/zinc/72/78/67/560727867.db2.gz RCUOMVATVBUDLP-OVCLIPMQSA-N -1 3 408.248 4.491 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000018113416 560776167 /nfs/dbraw/zinc/77/61/67/560776167.db2.gz PBLBZXKHIMOEEP-SQNIBIBYSA-N -1 3 404.388 4.184 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000102663075 560819314 /nfs/dbraw/zinc/81/93/14/560819314.db2.gz KQLJQEYSXFFULJ-XPWALMASSA-N -1 3 416.452 4.494 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000102763464 560824961 /nfs/dbraw/zinc/82/49/61/560824961.db2.gz QUFAJEFNCKOFAQ-FDFHNCONSA-N -1 3 420.415 4.324 50 0 HIAAHM C[C@@H](Sc1nnnn1C1CCCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000018386675 560876182 /nfs/dbraw/zinc/87/61/82/560876182.db2.gz MQFGFTYNWBKMPL-SNVBAGLBSA-N -1 3 414.516 4.200 50 0 HIAAHM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1cccc(Cl)c1)CC(=O)N2 ZINC000046057152 568426099 /nfs/dbraw/zinc/42/60/99/568426099.db2.gz HLLMZNOIJAGLPZ-AWEZNQCLSA-N -1 3 401.800 4.421 50 0 HIAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc(OC)ccc2OC)c1 ZINC000046057372 568426210 /nfs/dbraw/zinc/42/62/10/568426210.db2.gz VCARGOZXNBWZEQ-IBGZPJMESA-N -1 3 419.481 4.069 50 0 HIAAHM O=C(c1c[n-]c2ccc(OC(F)(F)F)cc2c1=O)N1CCCC[C@H]1c1cccnc1 ZINC000604405142 568492532 /nfs/dbraw/zinc/49/25/32/568492532.db2.gz KYYILNQKFYPXKZ-SFHVURJKSA-N -1 3 417.387 4.189 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000020034283 568586522 /nfs/dbraw/zinc/58/65/22/568586522.db2.gz ADWUUUJQYFCWKJ-GQWAEJPESA-N -1 3 412.452 4.383 50 0 HIAAHM COc1ccccc1[C@H](c1c([O-])[nH]c(=S)[n-]c1=O)[N@H+](Cc1ccccc1)C(C)C ZINC000020156104 568591011 /nfs/dbraw/zinc/59/10/11/568591011.db2.gz WQFDSNXMKHQDRO-LJQANCHMSA-N -1 3 411.527 4.147 50 0 HIAAHM COc1ccccc1[C@H](c1c([O-])[nH]c(=S)[n-]c1=O)[N@@H+](Cc1ccccc1)C(C)C ZINC000020156104 568591012 /nfs/dbraw/zinc/59/10/12/568591012.db2.gz WQFDSNXMKHQDRO-LJQANCHMSA-N -1 3 411.527 4.147 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2cccnc2)cc1 ZINC000020855066 568645514 /nfs/dbraw/zinc/64/55/14/568645514.db2.gz DYRGUWZGTACILK-HSZRJFAPSA-N -1 3 424.460 4.398 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2cccnc2)cc1 ZINC000020855066 568645519 /nfs/dbraw/zinc/64/55/19/568645519.db2.gz DYRGUWZGTACILK-HSZRJFAPSA-N -1 3 424.460 4.398 50 0 HIAAHM C=C1C(=Nc2ccc(Br)cn2)[N-]S(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900906 568649859 /nfs/dbraw/zinc/64/98/59/568649859.db2.gz PZUJYLQXVNUCEF-UHFFFAOYSA-N -1 3 406.305 4.046 50 0 HIAAHM O=S(=O)([N-]CCc1cccs1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978053 568653902 /nfs/dbraw/zinc/65/39/02/568653902.db2.gz OKLMYBSGBUPPIK-UHFFFAOYSA-N -1 3 408.448 4.004 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000021356970 568688301 /nfs/dbraw/zinc/68/83/01/568688301.db2.gz HVTUGWCALMEGOT-UHFFFAOYSA-N -1 3 421.522 4.168 50 0 HIAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1-c1nnc(C2CCC2)o1 ZINC000096379728 568741403 /nfs/dbraw/zinc/74/14/03/568741403.db2.gz ZDZUKGNDPCMHFP-UHFFFAOYSA-N -1 3 406.895 4.403 50 0 HIAAHM O=S(=O)([N-][C@@H](c1ccc(O)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000001024438 568763783 /nfs/dbraw/zinc/76/37/83/568763783.db2.gz DHIZWCLBXONYAF-ZDUSSCGKSA-N -1 3 415.125 4.435 50 0 HIAAHM Cn1cccc1[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000057293292 568826136 /nfs/dbraw/zinc/82/61/36/568826136.db2.gz XLXUBFOMEFPXNN-GOSISDBHSA-N -1 3 408.502 4.466 50 0 HIAAHM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Br)c2)N1CC(F)(F)F ZINC000012543566 568849166 /nfs/dbraw/zinc/84/91/66/568849166.db2.gz GYADYTVWGCSIOD-AWEZNQCLSA-N -1 3 401.182 4.284 50 0 HIAAHM O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccc2n[n-]nc2c1 ZINC000012551093 568853097 /nfs/dbraw/zinc/85/30/97/568853097.db2.gz ZUMVVBCUSYXLQX-UHFFFAOYSA-N -1 3 414.288 4.020 50 0 HIAAHM C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)Nc1cccnc1 ZINC000012555122 568855238 /nfs/dbraw/zinc/85/52/38/568855238.db2.gz PSBCWVRSKXGQMB-CYBMUJFWSA-N -1 3 422.535 4.307 50 0 HIAAHM COc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(Cl)s3)cs2)cc1 ZINC000004166838 568919347 /nfs/dbraw/zinc/91/93/47/568919347.db2.gz RFUAWSDOFWEZCB-UHFFFAOYSA-N -1 3 400.934 4.012 50 0 HIAAHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000031721497 568929874 /nfs/dbraw/zinc/92/98/74/568929874.db2.gz CKTKBSKUQHVWFM-UHFFFAOYSA-N -1 3 408.907 4.055 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccc(C)cc2O3)cc1 ZINC000003997625 568931864 /nfs/dbraw/zinc/93/18/64/568931864.db2.gz ANDUFDGDLKPGML-UHFFFAOYSA-N -1 3 410.451 4.162 50 0 HIAAHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000001426210 568939187 /nfs/dbraw/zinc/93/91/87/568939187.db2.gz ROORAKWIEMCAMC-UHFFFAOYSA-N -1 3 403.500 4.087 50 0 HIAAHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004173725 568948368 /nfs/dbraw/zinc/94/83/68/568948368.db2.gz NMJGHHXRGMBVNE-OAHLLOKOSA-N -1 3 407.230 4.338 50 0 HIAAHM S=c1[n-]c(-c2ccccc2Br)nn1CN1CCc2sccc2C1 ZINC000012775290 568954261 /nfs/dbraw/zinc/95/42/61/568954261.db2.gz MUFGYBLZAGFUSC-UHFFFAOYSA-N -1 3 407.362 4.447 50 0 HIAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000015671333 568961938 /nfs/dbraw/zinc/96/19/38/568961938.db2.gz XBDVXJFAUCUCFS-UHFFFAOYSA-N -1 3 423.542 4.238 50 0 HIAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCC[C@H]3c3ccc4c(c3)OCCO4)on2)cc1 ZINC000007988642 568966022 /nfs/dbraw/zinc/96/60/22/568966022.db2.gz QGISCJXPCXJLNK-FQEVSTJZSA-N -1 3 419.481 4.197 50 0 HIAAHM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc2S1 ZINC000015730516 568981166 /nfs/dbraw/zinc/98/11/66/568981166.db2.gz ZTLJLVRLCLLMRW-VIFPVBQESA-N -1 3 400.884 4.103 50 0 HIAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2ccccc2o1 ZINC000008240664 568984651 /nfs/dbraw/zinc/98/46/51/568984651.db2.gz IXDIMZLCOIMPHY-LBPRGKRZSA-N -1 3 418.902 4.018 50 0 HIAAHM O=S(=O)(c1ccc2oc([N-]c3ccc(F)c(F)c3F)nc2c1)N1CCCCC1 ZINC000008324260 568990968 /nfs/dbraw/zinc/99/09/68/568990968.db2.gz QNQVJVPIBQYCJB-UHFFFAOYSA-N -1 3 411.405 4.163 50 0 HIAAHM O=C(Nc1cccnc1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000006189223 569029760 /nfs/dbraw/zinc/02/97/60/569029760.db2.gz ZCPMQCLGDKSBMS-UHFFFAOYSA-N -1 3 422.293 4.442 50 0 HIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000012997258 569048261 /nfs/dbraw/zinc/04/82/61/569048261.db2.gz JESNQMJHEKVQHF-UHFFFAOYSA-N -1 3 410.333 4.206 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000245311315 569055674 /nfs/dbraw/zinc/05/56/74/569055674.db2.gz NDIWNNJWRZVTDL-QHAWAJNXSA-N -1 3 419.868 4.095 50 0 HIAAHM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCCC[C@@H]3C)s2)n1 ZINC000064755887 569089676 /nfs/dbraw/zinc/08/96/76/569089676.db2.gz SQEWQMPDYGBHLV-AWEZNQCLSA-N -1 3 413.634 4.148 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)n1 ZINC000064801710 569097927 /nfs/dbraw/zinc/09/79/27/569097927.db2.gz ODRGIHHZZDGXNE-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(-c2nnc(C3CCCC3)o2)s1 ZINC000064920719 569121263 /nfs/dbraw/zinc/12/12/63/569121263.db2.gz CHNITHCCRRFGMT-UHFFFAOYSA-N -1 3 407.492 4.073 50 0 HIAAHM CC(=O)Nc1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000006857041 569155599 /nfs/dbraw/zinc/15/55/99/569155599.db2.gz ATQDUGDFUANHLJ-UHFFFAOYSA-N -1 3 402.476 4.354 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc(Cl)cc1 ZINC000065035005 569158620 /nfs/dbraw/zinc/15/86/20/569158620.db2.gz NDQYHWRWTCDWBA-UHFFFAOYSA-N -1 3 420.271 4.383 50 0 HIAAHM CCCn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2Cl)c1 ZINC000065112602 569180597 /nfs/dbraw/zinc/18/05/97/569180597.db2.gz KJCLIENPROBVTG-UHFFFAOYSA-N -1 3 413.927 4.293 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(F)c(Cl)c1)N2 ZINC000065298629 569219372 /nfs/dbraw/zinc/21/93/72/569219372.db2.gz AFKBTOXBXKNIPG-LJQANCHMSA-N -1 3 415.896 4.047 50 0 HIAAHM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2n[n-]c(COc3ccccc3C)n2)c1C ZINC000007645527 569298393 /nfs/dbraw/zinc/29/83/93/569298393.db2.gz GDXULYQVWUWRRX-HNNXBMFYSA-N -1 3 412.515 4.203 50 0 HIAAHM Cc1ccc(NS(=O)(=O)C2=CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000253429051 569368774 /nfs/dbraw/zinc/36/87/74/569368774.db2.gz RUWRCFLCCZNMGU-UHFFFAOYSA-N -1 3 424.519 4.135 50 0 HIAAHM CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](c2c(Cl)cccc2Cl)CC(=O)N3)CC1 ZINC000585655799 569389879 /nfs/dbraw/zinc/38/98/79/569389879.db2.gz PEFALVRHVHUYSM-NSHDSACASA-N -1 3 407.301 4.199 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000238882063 571046521 /nfs/dbraw/zinc/04/65/21/571046521.db2.gz CFPAIWKZMJGJHM-NJDAHSKKSA-N -1 3 404.491 4.416 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840935 571124049 /nfs/dbraw/zinc/12/40/49/571124049.db2.gz ODHQLPPDUFUJJE-UHFFFAOYSA-N -1 3 400.544 4.430 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932353 571162790 /nfs/dbraw/zinc/16/27/90/571162790.db2.gz FJIWVSDJGBLOTI-UHFFFAOYSA-N -1 3 406.482 4.178 50 0 HIAAHM CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccs1 ZINC000040115483 571173315 /nfs/dbraw/zinc/17/33/15/571173315.db2.gz JVSSKCZIWNJFMP-GOSISDBHSA-N -1 3 421.519 4.143 50 0 HIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000008977492 571198220 /nfs/dbraw/zinc/19/82/20/571198220.db2.gz PHOZNFVIIHXUFI-UHFFFAOYSA-N -1 3 424.497 4.133 50 0 HIAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)N1CCC1 ZINC000009048060 571215805 /nfs/dbraw/zinc/21/58/05/571215805.db2.gz YXFZMNIBKAFGNB-UHFFFAOYSA-N -1 3 418.824 4.006 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1Cl ZINC000245309086 571223866 /nfs/dbraw/zinc/22/38/66/571223866.db2.gz ARLOYYNQWRYBCI-QHAWAJNXSA-N -1 3 419.868 4.095 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000009292232 571245681 /nfs/dbraw/zinc/24/56/81/571245681.db2.gz RLIPVQWPVHWTJF-NJDAHSKKSA-N -1 3 424.378 4.155 50 0 HIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1C ZINC000009572189 571269096 /nfs/dbraw/zinc/26/90/96/571269096.db2.gz ADEPPPRAXWMCBJ-UHFFFAOYSA-N -1 3 422.510 4.131 50 0 HIAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000009572498 571269245 /nfs/dbraw/zinc/26/92/45/571269245.db2.gz ZPGOTIHSSXVHOQ-UHFFFAOYSA-N -1 3 411.531 4.176 50 0 HIAAHM CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000009659425 571276882 /nfs/dbraw/zinc/27/68/82/571276882.db2.gz GKMDCJLHGHHLQT-ZXIHIIQKSA-N -1 3 419.241 4.338 50 0 HIAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)cc3c2N1CC3 ZINC000009708637 571280868 /nfs/dbraw/zinc/28/08/68/571280868.db2.gz QHBNHHYVDNEIGG-UHFFFAOYSA-N -1 3 420.490 4.115 50 0 HIAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(OC)cc(OC)c3)nc(=O)c2c1C ZINC000096792491 852555030 /nfs/dbraw/zinc/55/50/30/852555030.db2.gz LDIYKHVKMNDMEW-NTUHNPAUSA-N -1 3 420.874 4.246 50 0 HIAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)CC)cc1C ZINC000011612424 132348359 /nfs/dbraw/zinc/34/83/59/132348359.db2.gz IUZZRERIFRQOCX-UHFFFAOYSA-N -1 3 416.543 4.192 50 0 HIAAHM CCCOc1c(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Cl)cc1OC ZINC000040744620 520292423 /nfs/dbraw/zinc/29/24/23/520292423.db2.gz VVIVFOBXSWCIGG-LJQANCHMSA-N -1 3 416.905 4.404 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c(C)c1 ZINC000020554859 524323617 /nfs/dbraw/zinc/32/36/17/524323617.db2.gz OIMHMFDFHFUJPQ-UHFFFAOYSA-N -1 3 422.554 4.470 50 0 HIAAHM O=C(c1csc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1)N1CCCCCC1 ZINC000045961795 526905830 /nfs/dbraw/zinc/90/58/30/526905830.db2.gz SYMMWHONYYZBQL-LJQANCHMSA-N -1 3 418.584 4.120 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1 ZINC000000677203 557053556 /nfs/dbraw/zinc/05/35/56/557053556.db2.gz YWLLGWLJCSVUBP-UHFFFAOYSA-N -1 3 417.531 4.340 50 0 HIAAHM C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1[O-] ZINC000000682459 557056575 /nfs/dbraw/zinc/05/65/75/557056575.db2.gz SJQBIVKRSDUOLC-SECBINFHSA-N -1 3 415.081 4.323 50 0 HIAAHM CCOC(=O)[C@]([N-]c1cccc(Cl)c1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050548 557300953 /nfs/dbraw/zinc/30/09/53/557300953.db2.gz DHMBXDRTNSPXIM-KRWDZBQOSA-N -1 3 400.784 4.004 50 0 HIAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F ZINC000002779385 557386587 /nfs/dbraw/zinc/38/65/87/557386587.db2.gz SFBJWVSTISVAQL-INIZCTEOSA-N -1 3 422.186 4.169 50 0 HIAAHM CCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)c(OC)c2)N1 ZINC000004309917 557539064 /nfs/dbraw/zinc/53/90/64/557539064.db2.gz STLDJXSNAWFMML-IBGZPJMESA-N -1 3 416.440 4.056 50 0 HIAAHM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)ccc3[O-])C2=O)cc1C ZINC000004655923 557576453 /nfs/dbraw/zinc/57/64/53/557576453.db2.gz VAMUAJMNEPYWCH-RQZCQDPDSA-N -1 3 416.886 4.337 50 0 HIAAHM CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1ccccc1[O-] ZINC000004999197 557623427 /nfs/dbraw/zinc/62/34/27/557623427.db2.gz CYSUTUDVAUIPRK-UHFFFAOYSA-N -1 3 408.527 4.280 50 0 HIAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000006858620 557727094 /nfs/dbraw/zinc/72/70/94/557727094.db2.gz FUJAOGAOFGSFNF-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000012437464 558409360 /nfs/dbraw/zinc/40/93/60/558409360.db2.gz FCXALVSPJYOTJB-UHFFFAOYSA-N -1 3 417.933 4.442 50 0 HIAAHM O=c1nc(CN2CCN(Cc3ccccc3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000022030102 558458970 /nfs/dbraw/zinc/45/89/70/558458970.db2.gz ILRDCUMZHRDRHF-UHFFFAOYSA-N -1 3 422.579 4.031 50 0 HIAAHM O=c1[n-]nc(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)n1C1CC1 ZINC000012789174 558464518 /nfs/dbraw/zinc/46/45/18/558464518.db2.gz FZRJCHYMSKRUCB-UHFFFAOYSA-N -1 3 411.918 4.250 50 0 HIAAHM O=S(=O)([N-]N=c1ccc(C(F)(F)F)c[nH]1)c1cc(C(F)(F)F)ccc1Cl ZINC000013014926 558503893 /nfs/dbraw/zinc/50/38/93/558503893.db2.gz CNFOIOLNLYARSR-UHFFFAOYSA-N -1 3 419.734 4.078 50 0 HIAAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2)c1ccco1 ZINC000013121903 558517474 /nfs/dbraw/zinc/51/74/74/558517474.db2.gz ADNZEQOQYMAIQJ-QZTJIDSGSA-N -1 3 403.417 4.409 50 0 HIAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027020457 558668441 /nfs/dbraw/zinc/66/84/41/558668441.db2.gz KVKVUGPPNZNELY-UEXGIBASSA-N -1 3 420.431 4.222 50 0 HIAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C(=O)OC)CCC4)no2)cc1 ZINC000027749689 558681829 /nfs/dbraw/zinc/68/18/29/558681829.db2.gz IYCWUGJYIZSLII-UHFFFAOYSA-N -1 3 412.467 4.329 50 0 HIAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccccc3)cc2)s1 ZINC000030008002 558725985 /nfs/dbraw/zinc/72/59/85/558725985.db2.gz RTVDMYJJBFYHIW-HNNXBMFYSA-N -1 3 414.552 4.091 50 0 HIAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CC12CC3CC(CC(C3)C1)C2 ZINC000004578163 558754740 /nfs/dbraw/zinc/75/47/40/558754740.db2.gz QDZIZKQVWGXGJI-UHFFFAOYSA-N -1 3 404.359 4.497 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274841 558764640 /nfs/dbraw/zinc/76/46/40/558764640.db2.gz GNKHRUTWAPBHMG-UHFFFAOYSA-N -1 3 414.571 4.361 50 0 HIAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000036235601 558798465 /nfs/dbraw/zinc/79/84/65/558798465.db2.gz KAEFFEVNGLCWOV-UHFFFAOYSA-N -1 3 417.300 4.186 50 0 HIAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1Cl ZINC000072312128 558799801 /nfs/dbraw/zinc/79/98/01/558799801.db2.gz PIHCTWSJEOEIAA-UHFFFAOYSA-N -1 3 421.950 4.336 50 0 HIAAHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-n2nncc2C(F)(F)F)cc1 ZINC000058171275 558908118 /nfs/dbraw/zinc/90/81/18/558908118.db2.gz JWVXDDJASVDQOZ-UHFFFAOYSA-N -1 3 416.812 4.049 50 0 HIAAHM COc1ccc(-c2nn(CN(CC(F)(F)F)CC(F)(F)F)c(=S)[n-]2)cc1 ZINC000058404115 558924361 /nfs/dbraw/zinc/92/43/61/558924361.db2.gz GJSYVQQRSSKJPC-UHFFFAOYSA-N -1 3 400.348 4.000 50 0 HIAAHM O=C(c1ccccc1[O-])N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067883999 558994336 /nfs/dbraw/zinc/99/43/36/558994336.db2.gz BFTUJDSXTIQGJS-UHFFFAOYSA-N -1 3 409.489 4.494 50 0 HIAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CC[C@H]1c1ccccc1 ZINC000091986037 559074972 /nfs/dbraw/zinc/07/49/72/559074972.db2.gz ZSCUQYNKLNSBGK-SFHVURJKSA-N -1 3 414.292 4.255 50 0 HIAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc3c2N(CCC3)C1=O ZINC000005153937 559254352 /nfs/dbraw/zinc/25/43/52/559254352.db2.gz XIYIMVDJUOPUPP-JTQLQIEISA-N -1 3 411.310 4.191 50 0 HIAAHM CCOc1cc(-c2nnc([N-]C(=O)c3cccs3)o2)cc(OCC)c1OCC ZINC000005169569 559287310 /nfs/dbraw/zinc/28/73/10/559287310.db2.gz DQWNZBKKJZUGTA-UHFFFAOYSA-N -1 3 403.460 4.247 50 0 HIAAHM O=S(=O)([N-]CCC1=CCCCC1)c1cc(Br)ccc1Br ZINC000034197015 560587195 /nfs/dbraw/zinc/58/71/95/560587195.db2.gz FPRFTULXRCTDDF-UHFFFAOYSA-N -1 3 423.170 4.380 50 0 HIAAHM CCOC(=O)C(Sc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21)=C(C)[O-] ZINC000005561909 560618378 /nfs/dbraw/zinc/61/83/78/560618378.db2.gz XUQPKCWBSIOIRS-GOSISDBHSA-N -1 3 417.918 4.279 50 0 HIAAHM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000017178275 560703859 /nfs/dbraw/zinc/70/38/59/560703859.db2.gz NRCVORUSOHRQOU-UHFFFAOYSA-N -1 3 410.470 4.220 50 0 HIAAHM Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)n1 ZINC000010555101 560770339 /nfs/dbraw/zinc/77/03/39/560770339.db2.gz CPTCFBMAFKREEH-UHFFFAOYSA-N -1 3 401.513 4.121 50 0 HIAAHM COc1cc(OC)cc([C@@H]2[N-]c3nonc3N=C3C[C@@H](c4ccco4)CC(=O)C32)c1 ZINC000102746279 560824027 /nfs/dbraw/zinc/82/40/27/560824027.db2.gz DQGCWRKFTUVYBD-WYRIXSBYSA-N -1 3 408.414 4.309 50 0 HIAAHM COc1ccc([C@H]2[N-]c3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1O ZINC000102751122 560825607 /nfs/dbraw/zinc/82/56/07/560825607.db2.gz QPWAGASNRDJIDY-ADLMAVQZSA-N -1 3 410.455 4.474 50 0 HIAAHM Cc1oc(-c2cccs2)nc1CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1 ZINC000046031425 568424455 /nfs/dbraw/zinc/42/44/55/568424455.db2.gz JKLUFIOECHMDBP-UHFFFAOYSA-N -1 3 421.507 4.426 50 0 HIAAHM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)cc1 ZINC000046057564 568426177 /nfs/dbraw/zinc/42/61/77/568426177.db2.gz HNWPIJHPWWPUDJ-QGZVFWFLSA-N -1 3 419.481 4.069 50 0 HIAAHM COc1ccc(OC)c(CN(Cn2nc(-c3cccs3)[n-]c2=S)C2CC2)c1 ZINC000048290759 568435264 /nfs/dbraw/zinc/43/52/64/568435264.db2.gz ZIAOUTIWGLYRTQ-UHFFFAOYSA-N -1 3 402.545 4.308 50 0 HIAAHM CCCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126341 568511204 /nfs/dbraw/zinc/51/12/04/568511204.db2.gz USICTBWTMQAFOZ-UHFFFAOYSA-N -1 3 416.525 4.419 50 0 HIAAHM COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000095472261 568627584 /nfs/dbraw/zinc/62/75/84/568627584.db2.gz FNQGRMQYUHFCHU-OAHLLOKOSA-N -1 3 404.415 4.065 50 0 HIAAHM O=C(Nc1ccccc1[O-])c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 ZINC000095476517 568630484 /nfs/dbraw/zinc/63/04/84/568630484.db2.gz ZYJSXGWGQZPIAC-UHFFFAOYSA-N -1 3 410.351 4.366 50 0 HIAAHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1nnn(-c2ccc(F)cc2)c1C1CC1 ZINC000225741838 568670241 /nfs/dbraw/zinc/67/02/41/568670241.db2.gz UIGOVPHQEPWOHS-UHFFFAOYSA-N -1 3 407.380 4.330 50 0 HIAAHM COc1ccc(CNCc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1OC ZINC000021164778 568674594 /nfs/dbraw/zinc/67/45/94/568674594.db2.gz NALJDAFPDFHQMA-UHFFFAOYSA-N -1 3 422.525 4.467 50 0 HIAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(Cl)c1 ZINC000096012525 568684703 /nfs/dbraw/zinc/68/47/03/568684703.db2.gz NMUYOSXLAWVYRS-IBGZPJMESA-N -1 3 419.934 4.045 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000021356974 568688340 /nfs/dbraw/zinc/68/83/40/568688340.db2.gz ZZZOPDWHJDDHLZ-UHFFFAOYSA-N -1 3 405.523 4.468 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)cc1C ZINC000000979733 568760184 /nfs/dbraw/zinc/76/01/84/568760184.db2.gz ICFBMJRAROFGCS-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2F)CC1)c1c(Cl)cccc1Cl ZINC000055643138 568781314 /nfs/dbraw/zinc/78/13/14/568781314.db2.gz JGXIXUYSCYBAKI-UHFFFAOYSA-N -1 3 417.333 4.075 50 0 HIAAHM Cc1sc2[n-]c(COC(=O)C3(c4cccc(F)c4)CCCC3)nc(=O)c2c1C ZINC000002662242 568799308 /nfs/dbraw/zinc/79/93/08/568799308.db2.gz NNDHWNWXCDBEEM-UHFFFAOYSA-N -1 3 400.475 4.296 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c(C)c1 ZINC000230050243 568805102 /nfs/dbraw/zinc/80/51/02/568805102.db2.gz BEHNWZBSIRATNN-YTFSRNRJSA-N -1 3 416.452 4.494 50 0 HIAAHM CCOC(=O)c1ccc([N-]c2nnc(-c3cc4ccc(OC)cc4oc3=O)s2)cc1 ZINC000002956119 568829636 /nfs/dbraw/zinc/82/96/36/568829636.db2.gz GKBPJQCURSOVBZ-UHFFFAOYSA-N -1 3 423.450 4.240 50 0 HIAAHM CCOc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)ccc1[O-] ZINC000003450930 568905576 /nfs/dbraw/zinc/90/55/76/568905576.db2.gz AEPJJYFYQNECAJ-UHFFFAOYSA-N -1 3 413.470 4.059 50 0 HIAAHM Cc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)c1C ZINC000004077902 568938656 /nfs/dbraw/zinc/93/86/56/568938656.db2.gz FWCXKHZNEXMLPB-UHFFFAOYSA-N -1 3 404.542 4.200 50 0 HIAAHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Nc1nc(-c2ccccc2)cs1 ZINC000004129404 568945243 /nfs/dbraw/zinc/94/52/43/568945243.db2.gz IPFZICNIKWVNAJ-UHFFFAOYSA-N -1 3 410.480 4.297 50 0 HIAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000004200075 568951255 /nfs/dbraw/zinc/95/12/55/568951255.db2.gz WPOHPRPEKOYTTN-MRXNPFEDSA-N -1 3 408.873 4.459 50 0 HIAAHM Cc1cccc(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)c1C ZINC000059422265 568953287 /nfs/dbraw/zinc/95/32/87/568953287.db2.gz CCZOSIMFPSRRET-UHFFFAOYSA-N -1 3 421.569 4.015 50 0 HIAAHM Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000007976761 568963062 /nfs/dbraw/zinc/96/30/62/568963062.db2.gz CEOWPZLBMCGXTQ-UHFFFAOYSA-N -1 3 414.914 4.379 50 0 HIAAHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000008059932 568971012 /nfs/dbraw/zinc/97/10/12/568971012.db2.gz SKVTYIKLFZMFER-UHFFFAOYSA-N -1 3 410.326 4.274 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccn2)cc1 ZINC000015919793 569021903 /nfs/dbraw/zinc/02/19/03/569021903.db2.gz AFJZOYAMYMUMBO-QHCPKHFHSA-N -1 3 424.460 4.398 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccn2)cc1 ZINC000015919793 569021904 /nfs/dbraw/zinc/02/19/04/569021904.db2.gz AFJZOYAMYMUMBO-QHCPKHFHSA-N -1 3 424.460 4.398 50 0 HIAAHM O=C(CS(=O)(=O)c1ccccc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000016047992 569028399 /nfs/dbraw/zinc/02/83/99/569028399.db2.gz WYDCCEZGSQVBMM-UHFFFAOYSA-N -1 3 424.503 4.081 50 0 HIAAHM COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc(Br)c1[O-] ZINC000102674190 569041195 /nfs/dbraw/zinc/04/11/95/569041195.db2.gz GWEQXGZUDIGCQJ-OAHLLOKOSA-N -1 3 419.279 4.062 50 0 HIAAHM Cc1nc(-c2cccs2)sc1C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000090592875 569041565 /nfs/dbraw/zinc/04/15/65/569041565.db2.gz YHXCXARLCHHEBG-UHFFFAOYSA-N -1 3 402.925 4.451 50 0 HIAAHM O=S(=O)([N-]Cc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccc(F)cc1F ZINC000090607083 569041840 /nfs/dbraw/zinc/04/18/40/569041840.db2.gz OVCBUSZYAKFQOL-UHFFFAOYSA-N -1 3 423.510 4.483 50 0 HIAAHM Cc1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000006434534 569050707 /nfs/dbraw/zinc/05/07/07/569050707.db2.gz PCYTVKVMAIOASL-UHFFFAOYSA-N -1 3 401.875 4.097 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000245312002 569055772 /nfs/dbraw/zinc/05/57/72/569055772.db2.gz RPNKTIDKSYHAFW-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000245328195 569056007 /nfs/dbraw/zinc/05/60/07/569056007.db2.gz TXGUTMNUCUJRAZ-QHAWAJNXSA-N -1 3 419.868 4.095 50 0 HIAAHM CCc1cc2c(CSc3nnc(C)n3Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000006531837 569063998 /nfs/dbraw/zinc/06/39/98/569063998.db2.gz DMHDWJOEAIEHAY-UHFFFAOYSA-N -1 3 407.495 4.302 50 0 HIAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cc(C(F)(F)F)ccc1Cl ZINC000036398064 569171225 /nfs/dbraw/zinc/17/12/25/569171225.db2.gz UCSIAZNDWKGAJY-UHFFFAOYSA-N -1 3 417.840 4.077 50 0 HIAAHM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000065115810 569179683 /nfs/dbraw/zinc/17/96/83/569179683.db2.gz WTMOSPWUJPBKGA-UHFFFAOYSA-N -1 3 413.499 4.334 50 0 HIAAHM Cc1c(-c2nsc([N-]C(=O)c3cccs3)n2)nnn1-c1ccc(Cl)cc1 ZINC000006914532 569180099 /nfs/dbraw/zinc/18/00/99/569180099.db2.gz WIWQSMOXXBIWAQ-UHFFFAOYSA-N -1 3 402.892 4.061 50 0 aggregator HIAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3cc(C)cc(C)c3)n2)cc1 ZINC000006915738 569181035 /nfs/dbraw/zinc/18/10/35/569181035.db2.gz IVZFHMGICZGMJH-UHFFFAOYSA-N -1 3 406.511 4.181 50 0 HIAAHM COc1ccc(Br)cc1CN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000007266346 569230967 /nfs/dbraw/zinc/23/09/67/569230967.db2.gz DZFPCXCLNITQQQ-UHFFFAOYSA-N -1 3 418.287 4.210 50 0 HIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc5ccccn54)nc(=O)c23)s1 ZINC000007286832 569232011 /nfs/dbraw/zinc/23/20/11/569232011.db2.gz BAKNUIFFLDKRJM-UHFFFAOYSA-N -1 3 411.537 4.357 50 0 HIAAHM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc2)n1 ZINC000008711579 571105502 /nfs/dbraw/zinc/10/55/02/571105502.db2.gz POBMADINFLGVJZ-AWEZNQCLSA-N -1 3 422.510 4.322 50 0 HIAAHM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccc(C)cc1[O-] ZINC000040144736 571194736 /nfs/dbraw/zinc/19/47/36/571194736.db2.gz WQUYGGKMUBRATI-UHFFFAOYSA-N -1 3 404.392 4.098 50 0 HIAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1C ZINC000009169864 571233466 /nfs/dbraw/zinc/23/34/66/571233466.db2.gz QCRGCHLUUVAZGU-UHFFFAOYSA-N -1 3 416.543 4.102 50 0 HIAAHM CCc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000009503930 571263571 /nfs/dbraw/zinc/26/35/71/571263571.db2.gz WARMGDYFBUALFR-UHFFFAOYSA-N -1 3 424.913 4.300 50 0 HIAAHM CCc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2ccc(Cl)cc2)cc1 ZINC000009503930 571263573 /nfs/dbraw/zinc/26/35/73/571263573.db2.gz WARMGDYFBUALFR-UHFFFAOYSA-N -1 3 424.913 4.300 50 0 HIAAHM CCOc1cc(CNCc2c3ccc(OC)cc3n(CC)c2C(=O)[O-])ccc1OC ZINC000009532685 571267105 /nfs/dbraw/zinc/26/71/05/571267105.db2.gz CGFRXTABRDSJCC-UHFFFAOYSA-N -1 3 412.486 4.065 50 0 HIAAHM CC(=O)c1sc2[n-]c(CSc3ncnc4c5ccccc5oc43)nc(=O)c2c1C ZINC000009961918 571292727 /nfs/dbraw/zinc/29/27/27/571292727.db2.gz BPFUHVSSSMBKGD-UHFFFAOYSA-N -1 3 422.491 4.477 50 0 HIAAHM COC(=O)C(=Cc1ccc(Br)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000012566910 845876298 /nfs/dbraw/zinc/87/62/98/845876298.db2.gz AZECKUPGMJLKEB-JYRVWZFOSA-N -1 3 419.300 4.078 50 0 HIAAHM O=C(Nc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1)c1ccccc1Cl ZINC000045528974 848689382 /nfs/dbraw/zinc/68/93/82/848689382.db2.gz QYQVRGOQENVMET-CPNJWEJPSA-N -1 3 402.837 4.403 50 0 HIAAHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(F)ccc3F)nc(=O)c2c1C ZINC000098008607 852651201 /nfs/dbraw/zinc/65/12/01/852651201.db2.gz ARNIUHZPERNQBR-YRNVUSSQSA-N -1 3 410.829 4.485 50 0 HIAAHM Cc1ccc(OCc2nc(S[C@H](C)C(=O)N3CCCc4ccccc43)n[n-]2)cc1 ZINC000006711199 132313418 /nfs/dbraw/zinc/31/34/18/132313418.db2.gz QMVJGPVLTMIANH-MRXNPFEDSA-N -1 3 408.527 4.152 50 0 HIAAHM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc21 ZINC000032943907 519635113 /nfs/dbraw/zinc/63/51/13/519635113.db2.gz KGMPOHPYTRHGAK-SNVBAGLBSA-N -1 3 414.911 4.127 50 0 HIAAHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000020572795 521384847 /nfs/dbraw/zinc/38/48/47/521384847.db2.gz ULVUPZXOVOWAMA-UHFFFAOYSA-N -1 3 404.488 4.335 50 0 HIAAHM CCCn1c(=O)[n-]nc1S[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000032325606 521616012 /nfs/dbraw/zinc/61/60/12/521616012.db2.gz FWPCVXQXHZHXFA-ZDUSSCGKSA-N -1 3 403.335 4.044 50 0 HIAAHM C[C@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc2S1 ZINC000032943980 524461318 /nfs/dbraw/zinc/46/13/18/524461318.db2.gz VNQYJVQKUJIYLK-NSHDSACASA-N -1 3 424.494 4.003 50 0 HIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccccc3Cl)cc2)N1 ZINC000000652783 557039612 /nfs/dbraw/zinc/03/96/12/557039612.db2.gz SBFSHXAENCLFDD-SFHVURJKSA-N -1 3 412.795 4.392 50 0 HIAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(Cl)c1[O-] ZINC000000716283 557068103 /nfs/dbraw/zinc/06/81/03/557068103.db2.gz XTOCBSAOKDIBAF-SFHVURJKSA-N -1 3 422.909 4.338 50 0 biogenic,in-vitro HIAAHM COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Br)c1[O-] ZINC000001004735 557140785 /nfs/dbraw/zinc/14/07/85/557140785.db2.gz LYTDNZLZUASZQO-UKTHLTGXSA-N -1 3 406.257 4.404 50 0 HIAAHM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)c1ccccc1 ZINC000001113406 557185076 /nfs/dbraw/zinc/18/50/76/557185076.db2.gz FIZOJTTUSCXPTL-QFIPXVFZSA-N -1 3 424.522 4.430 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 ZINC000001156444 557214350 /nfs/dbraw/zinc/21/43/50/557214350.db2.gz FBCUHLMBHNADKN-UHFFFAOYSA-N -1 3 402.516 4.405 50 0 HIAAHM O=S(=O)([N-]c1ccccc1I)c1ccc2ccccc2c1 ZINC000001516004 557271031 /nfs/dbraw/zinc/27/10/31/557271031.db2.gz NOQMEXAKLKOXMW-UHFFFAOYSA-N -1 3 409.248 4.245 50 0 HIAAHM O=C(CSCc1ccccc1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000002850504 557404144 /nfs/dbraw/zinc/40/41/44/557404144.db2.gz XVBQERXOOYEZGN-UHFFFAOYSA-N -1 3 418.474 4.234 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103393 557446791 /nfs/dbraw/zinc/44/67/91/557446791.db2.gz QIYYFSFQTWDFQL-QGZVFWFLSA-N -1 3 418.774 4.143 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138076 557450464 /nfs/dbraw/zinc/45/04/64/557450464.db2.gz JIHLNIDFRRRGDG-QGZVFWFLSA-N -1 3 418.774 4.143 50 0 HIAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000002717962 557750782 /nfs/dbraw/zinc/75/07/82/557750782.db2.gz LUNKCDHJLQDCHQ-UHFFFAOYSA-N -1 3 414.849 4.289 50 0 HIAAHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000002794816 557765139 /nfs/dbraw/zinc/76/51/39/557765139.db2.gz ASXVFZMPEVFVQT-UHFFFAOYSA-N -1 3 414.465 4.239 50 0 HIAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 ZINC000019819320 558289717 /nfs/dbraw/zinc/28/97/17/558289717.db2.gz OMSNYKVFKUTHIP-UHFFFAOYSA-N -1 3 421.522 4.209 50 0 HIAAHM O=S(=O)([N-]CCOC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl ZINC000020435892 558363010 /nfs/dbraw/zinc/36/30/10/558363010.db2.gz KXZGQGVVUUQMFB-UHFFFAOYSA-N -1 3 404.359 4.257 50 0 HIAAHM CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000014236212 558641525 /nfs/dbraw/zinc/64/15/25/558641525.db2.gz IAXGLLVZTRTIEZ-UHFFFAOYSA-N -1 3 418.515 4.350 50 0 HIAAHM O=c1[n-]c(SCc2csc(COc3ccc(F)cc3)n2)nc2sccc21 ZINC000014903104 558678899 /nfs/dbraw/zinc/67/88/99/558678899.db2.gz LOKCXJJIOBCGPE-UHFFFAOYSA-N -1 3 405.501 4.452 50 0 HIAAHM CSc1nnc2c(n1)O[C@H](c1cc([O-])ccc1Br)Nc1ccccc1-2 ZINC000015018369 558702853 /nfs/dbraw/zinc/70/28/53/558702853.db2.gz CUTYZJNMUOSRRC-OAHLLOKOSA-N -1 3 417.288 4.232 50 0 HIAAHM [O-]c1c2c(ccc1-c1n[nH]c(C(F)(F)F)c1-c1cnn(-c3ccccc3)c1)OCO2 ZINC000110295581 558782776 /nfs/dbraw/zinc/78/27/76/558782776.db2.gz NTVRFIFFYVPHRD-UHFFFAOYSA-N -1 3 414.343 4.383 50 0 HIAAHM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(O)nc2ccccc2c1[O-] ZINC000017258392 558826300 /nfs/dbraw/zinc/82/63/00/558826300.db2.gz WANQKVAYNIWVHC-UHFFFAOYSA-N -1 3 421.522 4.410 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccc(Cl)c(Cl)c1 ZINC000018024422 558829635 /nfs/dbraw/zinc/82/96/35/558829635.db2.gz XOGPKSZIPVZNBU-SQNIBIBYSA-N -1 3 405.281 4.472 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1-c1noc(C(C)(C)C)n1 ZINC000033013392 558832875 /nfs/dbraw/zinc/83/28/75/558832875.db2.gz SGWMHJRIOXRJNK-UHFFFAOYSA-N -1 3 415.515 4.460 50 0 HIAAHM Cc1ccc(-c2cc([N-]C(=O)CN(Cc3cccs3)C[C@@H]3CCCO3)on2)cc1 ZINC000058176664 558909674 /nfs/dbraw/zinc/90/96/74/558909674.db2.gz ALBURCTWJDDRRC-SFHVURJKSA-N -1 3 411.527 4.331 50 0 HIAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC000033277552 559040948 /nfs/dbraw/zinc/04/09/48/559040948.db2.gz RWZTWIYPBZJYKP-UHFFFAOYSA-N -1 3 414.571 4.442 50 0 HIAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2I)cc1 ZINC000072289731 559077692 /nfs/dbraw/zinc/07/76/92/559077692.db2.gz NWALPTHUPKKIHP-NSHDSACASA-N -1 3 416.284 4.001 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000004815435 559078377 /nfs/dbraw/zinc/07/83/77/559078377.db2.gz VBXUVVSJTHXEFN-UHFFFAOYSA-N -1 3 414.458 4.196 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1 ZINC000100737090 559138842 /nfs/dbraw/zinc/13/88/42/559138842.db2.gz NIZSWNKIVADIJS-FPOVZHCZSA-N -1 3 401.853 4.123 50 0 HIAAHM Cc1nc(-c2ccc(Cl)cc2)sc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000005108332 559246437 /nfs/dbraw/zinc/24/64/37/559246437.db2.gz CONGKVRMEHGXNQ-UHFFFAOYSA-N -1 3 410.923 4.432 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1 ZINC000100738296 559260919 /nfs/dbraw/zinc/26/09/19/559260919.db2.gz GGKSNMOFUGECAQ-PZJWPPBQSA-N -1 3 401.853 4.123 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccccc2)cs1 ZINC000005275023 560561642 /nfs/dbraw/zinc/56/16/42/560561642.db2.gz HLOVSYPBWTWEGN-DNVCBOLYSA-N -1 3 401.413 4.458 50 0 HIAAHM COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[O-])n2CC(C)C)cc1 ZINC000009615076 560760060 /nfs/dbraw/zinc/76/00/60/560760060.db2.gz LVKRESLEEGQGMG-UHFFFAOYSA-N -1 3 412.515 4.046 50 0 HIAAHM Cc1ccc(S(=O)(=O)C(=C[N-]c2ncc(C(F)(F)F)cc2Cl)[N+](=O)[O-])cc1 ZINC000100943865 560763527 /nfs/dbraw/zinc/76/35/27/560763527.db2.gz WWTDXSDZIUTDHH-JYRVWZFOSA-N -1 3 421.784 4.024 50 0 HIAAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000018046012 560774375 /nfs/dbraw/zinc/77/43/75/560774375.db2.gz ILPVRDSCXQFLTK-VSKRKVRLSA-N -1 3 402.425 4.185 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2)CCO1 ZINC000005699209 560789663 /nfs/dbraw/zinc/78/96/63/560789663.db2.gz HMTXLYAUDVADSQ-BBRMVZONSA-N -1 3 407.923 4.147 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102690789 560819951 /nfs/dbraw/zinc/81/99/51/560819951.db2.gz AXIORQHCBDQORL-BHIFYINESA-N -1 3 418.449 4.120 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102749751 560824299 /nfs/dbraw/zinc/82/42/99/560824299.db2.gz NDIWNNJWRZVTDL-PWRODBHTSA-N -1 3 419.868 4.095 50 0 HIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2C)cc1 ZINC000102761592 560826379 /nfs/dbraw/zinc/82/63/79/560826379.db2.gz FSJBFYBIIHAIFO-RJGXRXQPSA-N -1 3 414.461 4.055 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)c(Cl)c1 ZINC000046914254 560879122 /nfs/dbraw/zinc/87/91/22/560879122.db2.gz DLVAZXXLOWFKGK-UHFFFAOYSA-N -1 3 414.874 4.494 50 0 HIAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 ZINC000046057928 568426357 /nfs/dbraw/zinc/42/63/57/568426357.db2.gz MDZWWZDJGDBEKW-ZDUSSCGKSA-N -1 3 411.845 4.056 50 0 HIAAHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc(C4CC4)s3)s2)cc1OC ZINC000049544485 568451221 /nfs/dbraw/zinc/45/12/21/568451221.db2.gz JFPLNMOBUAGUQF-UHFFFAOYSA-N -1 3 402.501 4.117 50 0 HIAAHM CCCCc1nc(-n2cccc2)sc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC000049548815 568451692 /nfs/dbraw/zinc/45/16/92/568451692.db2.gz OVAQHPZACGDCFF-ZDUSSCGKSA-N -1 3 403.533 4.232 50 0 HIAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)N1 ZINC000000653466 568459678 /nfs/dbraw/zinc/45/96/78/568459678.db2.gz LUPCFXMBSKFJQX-HXUWFJFHSA-N -1 3 418.371 4.485 50 0 HIAAHM O=C1C=CC(=NNc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc21 ZINC000245284412 568461092 /nfs/dbraw/zinc/46/10/92/568461092.db2.gz RRGMYGFTTQALRD-UHFFFAOYSA-N -1 3 403.463 4.056 50 0 HIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)c1 ZINC000229969109 568716446 /nfs/dbraw/zinc/71/64/46/568716446.db2.gz OQMSVMBTGWOPNJ-PWRODBHTSA-N -1 3 420.490 4.116 50 0 HIAAHM CCOc1ccc2nc([N-]C(=O)c3cc4c(nc5ccccn5c4=O)s3)sc2c1 ZINC000096347292 568737805 /nfs/dbraw/zinc/73/78/05/568737805.db2.gz WTUBYOKWHVZDOS-UHFFFAOYSA-N -1 3 422.491 4.170 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000096775038 568764530 /nfs/dbraw/zinc/76/45/30/568764530.db2.gz BGOFGNTZSGJLKH-KURKYZTESA-N -1 3 405.281 4.472 50 0 HIAAHM Cc1c([O-])ccc2c(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc(=O)oc12 ZINC000057585941 568854519 /nfs/dbraw/zinc/85/45/19/568854519.db2.gz RPRHNNOSXAOCON-IBGZPJMESA-N -1 3 407.466 4.305 50 0 HIAAHM Cc1nn(-c2ccccc2)c(N)c1[C@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000003308404 568877640 /nfs/dbraw/zinc/87/76/40/568877640.db2.gz PHGOEDHWDNZREB-SFHVURJKSA-N -1 3 404.417 4.171 50 0 HIAAHM Cn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1C(F)(F)F ZINC000003358242 568887199 /nfs/dbraw/zinc/88/71/99/568887199.db2.gz BDBNYRLOUGODBM-UHFFFAOYSA-N -1 3 423.445 4.091 50 0 HIAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)s1 ZINC000031069905 568911861 /nfs/dbraw/zinc/91/18/61/568911861.db2.gz RXZSETZXDDXUJR-HXUWFJFHSA-N -1 3 422.616 4.357 50 0 HIAAHM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000031807992 568931686 /nfs/dbraw/zinc/93/16/86/568931686.db2.gz SFHLWNCHNTYUCS-XMMPIXPASA-N -1 3 414.509 4.281 50 0 HIAAHM CC(C)CCOC(=O)c1nnsc1[N-]C(=O)Nc1ccc(Br)cc1 ZINC000001416981 568934616 /nfs/dbraw/zinc/93/46/16/568934616.db2.gz NFVDBUUXNLECRL-UHFFFAOYSA-N -1 3 413.297 4.148 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1C ZINC000004036360 568935503 /nfs/dbraw/zinc/93/55/03/568935503.db2.gz POXQPOAKHKMAGX-UHFFFAOYSA-N -1 3 411.508 4.476 50 0 HIAAHM Cc1cc(C)cc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)c1 ZINC000004078007 568938668 /nfs/dbraw/zinc/93/86/68/568938668.db2.gz XLWRVTILQIKNFO-UHFFFAOYSA-N -1 3 404.542 4.200 50 0 HIAAHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3[O-])C2)c2ccccc12 ZINC000012754343 568942384 /nfs/dbraw/zinc/94/23/84/568942384.db2.gz CKALRKVHRMGGEM-QGZVFWFLSA-N -1 3 418.493 4.353 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccn2)cc1 ZINC000015919794 569021923 /nfs/dbraw/zinc/02/19/23/569021923.db2.gz AFJZOYAMYMUMBO-HSZRJFAPSA-N -1 3 424.460 4.398 50 0 HIAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccn2)cc1 ZINC000015919794 569021924 /nfs/dbraw/zinc/02/19/24/569021924.db2.gz AFJZOYAMYMUMBO-HSZRJFAPSA-N -1 3 424.460 4.398 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000006362227 569045914 /nfs/dbraw/zinc/04/59/14/569045914.db2.gz JXWOWEONIUIISM-UHFFFAOYSA-N -1 3 410.495 4.122 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)cc1 ZINC000245327739 569056034 /nfs/dbraw/zinc/05/60/34/569056034.db2.gz PVHNACHDIDKRKZ-YPAWHYETSA-N -1 3 408.498 4.200 50 0 HIAAHM O=c1[n-]n(C2CCCC2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000006727447 569101852 /nfs/dbraw/zinc/10/18/52/569101852.db2.gz KGZDLBAMRPDYAY-OAHLLOKOSA-N -1 3 408.321 4.241 50 0 HIAAHM CCc1cccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000006819364 569139223 /nfs/dbraw/zinc/13/92/23/569139223.db2.gz SQWKPAVPTYMVJE-UHFFFAOYSA-N -1 3 406.573 4.034 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000065298617 569219349 /nfs/dbraw/zinc/21/93/49/569219349.db2.gz AKQAXRWQNODFGA-QFIPXVFZSA-N -1 3 405.542 4.378 50 0 HIAAHM O=C1CCCN1c1ccc(NCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)cc1 ZINC000007286151 569231997 /nfs/dbraw/zinc/23/19/97/569231997.db2.gz ARFQCSXQJMVDEW-UHFFFAOYSA-N -1 3 416.506 4.391 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2C)cc1 ZINC000089629677 569261305 /nfs/dbraw/zinc/26/13/05/569261305.db2.gz CKJOWULZCMRSAI-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM CSc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002874765 569278309 /nfs/dbraw/zinc/27/83/09/569278309.db2.gz NDRZKJKDTNFQQI-JTQLQIEISA-N -1 3 419.355 4.021 50 0 HIAAHM CCc1cc2c(CN3CCC[C@@H]3c3ccc(OC)cc3OC)cc(=O)oc2cc1[O-] ZINC000007740732 569305364 /nfs/dbraw/zinc/30/53/64/569305364.db2.gz DKNRVOMHAULXAT-HXUWFJFHSA-N -1 3 409.482 4.415 50 0 HIAAHM Cc1ccc(S(=O)(=O)n2nc(/C=C/c3ccccc3)nc2-c2ccccc2[O-])cc1 ZINC000007781963 569310073 /nfs/dbraw/zinc/31/00/73/569310073.db2.gz HRHMPYJRFBSRON-DTQAZKPQSA-N -1 3 417.490 4.367 50 0 HIAAHM COC1CN(c2ccc([N-]S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)C1 ZINC000253472484 569381437 /nfs/dbraw/zinc/38/14/37/569381437.db2.gz MQPLBWWKLCYDJI-UHFFFAOYSA-N -1 3 412.486 4.129 50 0 HIAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)N3CCC(c4nc(C)cs4)CC3)c2)n1 ZINC000078733090 569420114 /nfs/dbraw/zinc/42/01/14/569420114.db2.gz XMBBQXQRTQNQNS-UHFFFAOYSA-N -1 3 423.542 4.176 50 0 HIAAHM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)c3nc(=O)c4c(C)c(C)sc4[n-]3)cc2)n1 ZINC000008711580 571105528 /nfs/dbraw/zinc/10/55/28/571105528.db2.gz POBMADINFLGVJZ-CQSZACIVSA-N -1 3 422.510 4.322 50 0 HIAAHM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2CCC1=O ZINC000008840850 571124189 /nfs/dbraw/zinc/12/41/89/571124189.db2.gz RHGLLZZUMAWIDG-UHFFFAOYSA-N -1 3 412.555 4.301 50 0 HIAAHM Cc1c([O-])ccc2c(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)oc12 ZINC000040159138 571205197 /nfs/dbraw/zinc/20/51/97/571205197.db2.gz XSKZNGLXNACKTH-UHFFFAOYSA-N -1 3 409.467 4.210 50 0 HIAAHM Cn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1cc2ccccc2o1 ZINC000009047220 571215622 /nfs/dbraw/zinc/21/56/22/571215622.db2.gz ALIXQHGHNZYXJL-UHFFFAOYSA-N -1 3 414.874 4.318 50 0 HIAAHM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009172478 571234128 /nfs/dbraw/zinc/23/41/28/571234128.db2.gz PGGKXSZHQPWQNZ-UHFFFAOYSA-N -1 3 420.506 4.034 50 0 HIAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000009356488 571251284 /nfs/dbraw/zinc/25/12/84/571251284.db2.gz DUAHCPZXPINDSY-SFHVURJKSA-N -1 3 424.522 4.052 50 0 HIAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)oc12 ZINC000009435752 571258877 /nfs/dbraw/zinc/25/88/77/571258877.db2.gz HFDKVAWYICQZII-UHFFFAOYSA-N -1 3 424.884 4.152 50 0 HIAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)n1 ZINC000009572422 571269070 /nfs/dbraw/zinc/26/90/70/571269070.db2.gz ROIXOARPGJWTDL-UHFFFAOYSA-N -1 3 411.531 4.378 50 0 HIAAHM O=C1S/C(=C/c2ccc([O-])c(I)c2)C(=O)N1c1ccccc1 ZINC000009763336 571284824 /nfs/dbraw/zinc/28/48/24/571284824.db2.gz NSINKDGHDQPRSQ-NTEUORMPSA-N -1 3 423.231 4.238 50 0 HIAAHM O=C(Nc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1)c1ccccc1Cl ZINC000015661993 846082237 /nfs/dbraw/zinc/08/22/37/846082237.db2.gz QYQVRGOQENVMET-UYRXBGFRSA-N -1 3 402.837 4.403 50 0 HIAAHM COc1cc(/C=C2/c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1[O-] ZINC000007000370 132321889 /nfs/dbraw/zinc/32/18/89/132321889.db2.gz FHEUGHPIJIVVDP-NDENLUEZSA-N -1 3 415.445 4.445 50 0 HIAAHM CC(=O)N(c1nc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1)C1CCCC1 ZINC000044893993 519476753 /nfs/dbraw/zinc/47/67/53/519476753.db2.gz DRCILAGEVQHKOJ-UHFFFAOYSA-N -1 3 407.565 4.148 50 0 HIAAHM C[C@H]1CN(C(=O)C2CC2)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2S1 ZINC000032944012 524461294 /nfs/dbraw/zinc/46/12/94/524461294.db2.gz FYZQBWINDYFFNE-NSHDSACASA-N -1 3 424.494 4.003 50 0 HIAAHM Cc1[nH]nc(-c2ccc(OCCN3CCOCC3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000020589517 525463612 /nfs/dbraw/zinc/46/36/12/525463612.db2.gz UGNGPGLEEKDEHQ-UHFFFAOYSA-N -1 3 413.905 4.122 50 0 HIAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000032090950 526316281 /nfs/dbraw/zinc/31/62/81/526316281.db2.gz NETHTCZQQIVXDT-FQEVSTJZSA-N -1 3 418.324 4.418 50 0 HIAAHM O=C([N-]c1nc2ccc(F)cc2s1)c1ccc(S(=O)(=O)c2ccccc2)o1 ZINC000032593697 527513965 /nfs/dbraw/zinc/51/39/65/527513965.db2.gz INHQIZVPAWCATN-UHFFFAOYSA-N -1 3 402.428 4.114 50 0 HIAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000032094198 527572624 /nfs/dbraw/zinc/57/26/24/527572624.db2.gz ZWRLHAPJEPAPBC-NSHDSACASA-N -1 3 402.241 4.236 50 0 HIAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCC2 ZINC000002734364 557373259 /nfs/dbraw/zinc/37/32/59/557373259.db2.gz HJMOUVAIHIUUCF-UHFFFAOYSA-N -1 3 405.344 4.361 50 0 HIAAHM NC(=O)c1c2c(sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F)CCCCCC2 ZINC000002748548 557378421 /nfs/dbraw/zinc/37/84/21/557378421.db2.gz FLWYIKJAQOGBIB-UHFFFAOYSA-N -1 3 418.387 4.454 50 0 HIAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000002884573 557421491 /nfs/dbraw/zinc/42/14/91/557421491.db2.gz DXAZCBQVQJDISV-UHFFFAOYSA-N -1 3 416.886 4.158 50 0 HIAAHM CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003873160 557501883 /nfs/dbraw/zinc/50/18/83/557501883.db2.gz PSIFNNKUMBGKDQ-UHFFFAOYSA-N -1 3 422.920 4.267 50 0 fda HIAAHM CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003873160 557501885 /nfs/dbraw/zinc/50/18/85/557501885.db2.gz PSIFNNKUMBGKDQ-UHFFFAOYSA-N -1 3 422.920 4.267 50 0 fda HIAAHM O=C(Cn1ncc2c1-c1ccccc1OC2)[N-]c1cc(-c2cccc(Cl)c2)no1 ZINC000006805386 557722529 /nfs/dbraw/zinc/72/25/29/557722529.db2.gz SYUXMHANWLHFLP-UHFFFAOYSA-N -1 3 406.829 4.390 50 0 HIAAHM COc1ccccc1[C@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000009348459 557838319 /nfs/dbraw/zinc/83/83/19/557838319.db2.gz SUQLZHADRVVVOV-FQEVSTJZSA-N -1 3 423.432 4.186 50 0 HIAAHM [O-]c1ccccc1-c1nc2c3c4c(sc3ncn2n1)CN(Cc1ccccc1)CC4 ZINC000020131082 558337256 /nfs/dbraw/zinc/33/72/56/558337256.db2.gz DUNNHGLWUAQXIF-UHFFFAOYSA-N -1 3 413.506 4.270 50 0 HIAAHM Cc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012793368 558467130 /nfs/dbraw/zinc/46/71/30/558467130.db2.gz MZKQDCMOANSXOR-UHFFFAOYSA-N -1 3 412.486 4.425 50 0 HIAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022815403 558514415 /nfs/dbraw/zinc/51/44/15/558514415.db2.gz KKXQBOXIGCACIP-UHFFFAOYSA-N -1 3 405.980 4.098 50 0 HIAAHM Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nc4ccsc4c(=O)[n-]3)cc12 ZINC000013102585 558514474 /nfs/dbraw/zinc/51/44/74/558514474.db2.gz BWAURAKQSVKJDS-UHFFFAOYSA-N -1 3 422.491 4.050 50 0 HIAAHM COc1ccccc1[C@@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000013572961 558542658 /nfs/dbraw/zinc/54/26/58/558542658.db2.gz RLCPTSKFDPWIAJ-HXUWFJFHSA-N -1 3 423.432 4.186 50 0 HIAAHM Cc1c([O-])ccc2c(C)c(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc12 ZINC000013727102 558584762 /nfs/dbraw/zinc/58/47/62/558584762.db2.gz ONLOLVXOMPKUGK-UHFFFAOYSA-N -1 3 407.344 4.195 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000013749195 558589441 /nfs/dbraw/zinc/58/94/41/558589441.db2.gz MADIIHWVTPVBSD-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM CSCc1nc(=O)c2c(C)c(C(=O)N[C@@H]3CCSc4ccccc43)sc2[n-]1 ZINC000014252759 558650553 /nfs/dbraw/zinc/65/05/53/558650553.db2.gz DQVIMEARKJDVMI-GFCCVEGCSA-N -1 3 417.581 4.123 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1C ZINC000033115266 558761310 /nfs/dbraw/zinc/76/13/10/558761310.db2.gz FXCGRZTWBVSNMC-UHFFFAOYSA-N -1 3 414.571 4.298 50 0 HIAAHM O=C1[N-]C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000016225206 558779550 /nfs/dbraw/zinc/77/95/50/558779550.db2.gz VOHRJYWJSHFRSK-QGOAFFKASA-N -1 3 408.255 4.337 50 0 HIAAHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058156606 558903012 /nfs/dbraw/zinc/90/30/12/558903012.db2.gz GUNBIWRMCUHHNI-UHFFFAOYSA-N -1 3 419.447 4.037 50 0 HIAAHM CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700324 558907794 /nfs/dbraw/zinc/90/77/94/558907794.db2.gz DWCVXBWFVNIXHI-DYESRHJHSA-N -1 3 400.494 4.052 50 0 HIAAHM COc1ccccc1CN1CCc2nc(SCc3ccc(C)cc3)[n-]c(=O)c2C1 ZINC000033287265 559043944 /nfs/dbraw/zinc/04/39/44/559043944.db2.gz FMHKAPFRROTZCL-UHFFFAOYSA-N -1 3 407.539 4.350 50 0 HIAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]C2CCCCCC2)s1 ZINC000033303170 559051260 /nfs/dbraw/zinc/05/12/60/559051260.db2.gz ZBAFUYHGZZLGAT-PKNBQFBNSA-N -1 3 423.560 4.174 50 0 HIAAHM CCCCNC(=O)N([O-])[C@@H]1N(CCCC)C(=O)N(CCc2ccccc2)C1(C)C ZINC000004869482 559193878 /nfs/dbraw/zinc/19/38/78/559193878.db2.gz RTZHGHKJBRQRFS-IBGZPJMESA-N -1 3 404.555 4.072 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000135681977 559276354 /nfs/dbraw/zinc/27/63/54/559276354.db2.gz RVEWCUFWWOMOPX-IPMKNSEASA-N -1 3 410.882 4.453 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000101027220 560766736 /nfs/dbraw/zinc/76/67/36/560766736.db2.gz PBLBZXKHIMOEEP-KURKYZTESA-N -1 3 404.388 4.184 50 0 HIAAHM C[C@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102663013 560819337 /nfs/dbraw/zinc/81/93/37/560819337.db2.gz GBTGNQFSCNVAKQ-AWRGLXIESA-N -1 3 402.425 4.267 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1C ZINC000102707105 560820591 /nfs/dbraw/zinc/82/05/91/560820591.db2.gz QVIBHYIQLLOPTC-YTFSRNRJSA-N -1 3 414.461 4.060 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CC(C)C)cc1 ZINC000102728254 560822107 /nfs/dbraw/zinc/82/21/07/560822107.db2.gz PVHNACHDIDKRKZ-BHDDXSALSA-N -1 3 408.498 4.200 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c(C)c1 ZINC000102731971 560822655 /nfs/dbraw/zinc/82/26/55/560822655.db2.gz BCOGPEAYQAMWRM-QHAWAJNXSA-N -1 3 404.491 4.416 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c(C)c1 ZINC000102765903 560825129 /nfs/dbraw/zinc/82/51/29/560825129.db2.gz BEHNWZBSIRATNN-XPWALMASSA-N -1 3 416.452 4.494 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102757990 560826018 /nfs/dbraw/zinc/82/60/18/560826018.db2.gz NSWXOHWQFKYLJZ-XPWALMASSA-N -1 3 414.461 4.136 50 0 HIAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2cccs2)cc1 ZINC000102912296 560835364 /nfs/dbraw/zinc/83/53/64/560835364.db2.gz NBDBZMFKTUEVEG-PCCBWWKXSA-N -1 3 420.490 4.116 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1 ZINC000045895028 568421341 /nfs/dbraw/zinc/42/13/41/568421341.db2.gz OKPFSFVJUOBZGR-UHFFFAOYSA-N -1 3 412.511 4.190 50 0 HIAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000048311899 568436939 /nfs/dbraw/zinc/43/69/39/568436939.db2.gz PPUDVFDQDVOXLC-LBPRGKRZSA-N -1 3 412.886 4.002 50 0 HIAAHM O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2[O-])no1 ZINC000020491434 568614696 /nfs/dbraw/zinc/61/46/96/568614696.db2.gz KXTHKKBSUMHQAH-UHFFFAOYSA-N -1 3 404.470 4.421 50 0 HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c(OC)c1 ZINC000021032987 568659643 /nfs/dbraw/zinc/65/96/43/568659643.db2.gz VFPGVGWDXZQYQG-UHFFFAOYSA-N -1 3 422.890 4.430 50 0 HIAAHM CSc1nc2ccc([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)cc2s1 ZINC000095950809 568667419 /nfs/dbraw/zinc/66/74/19/568667419.db2.gz NWGISDBTBOGMAH-VOJFVSQTSA-N -1 3 410.586 4.155 50 0 HIAAHM O=C(NCCCCCc1nc2ccccc2[nH]1)c1c[n-]c2ccc(Cl)cc2c1=O ZINC000096118482 568698225 /nfs/dbraw/zinc/69/82/25/568698225.db2.gz SPKPTIMOZZVUFF-UHFFFAOYSA-N -1 3 408.889 4.201 50 0 HIAAHM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000096379538 568740983 /nfs/dbraw/zinc/74/09/83/568740983.db2.gz KRRSTTCSFFHLTI-UHFFFAOYSA-N -1 3 404.467 4.197 50 0 HIAAHM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000225706564 568779604 /nfs/dbraw/zinc/77/96/04/568779604.db2.gz JKOOVMFNDNBERT-SNVBAGLBSA-N -1 3 400.736 4.374 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000230043276 568804306 /nfs/dbraw/zinc/80/43/06/568804306.db2.gz RPNKTIDKSYHAFW-BHDDXSALSA-N -1 3 402.425 4.185 50 0 HIAAHM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(Br)c2)N1CC(F)(F)F ZINC000012543565 568849157 /nfs/dbraw/zinc/84/91/57/568849157.db2.gz GYADYTVWGCSIOD-CQSZACIVSA-N -1 3 401.182 4.284 50 0 HIAAHM Cc1cc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)nc2ccccc12 ZINC000031807034 568931692 /nfs/dbraw/zinc/93/16/92/568931692.db2.gz QSENIZPJQVQDTK-QHCPKHFHSA-N -1 3 418.472 4.112 50 0 HIAAHM CC(C)CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000004173719 568948235 /nfs/dbraw/zinc/94/82/35/568948235.db2.gz BRNXOTOZMNFIPR-OAHLLOKOSA-N -1 3 407.230 4.338 50 0 HIAAHM COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3[O-])C2)c2ccccc12 ZINC000012854160 569010640 /nfs/dbraw/zinc/01/06/40/569010640.db2.gz AYFYDSNPCHIGHG-MRXNPFEDSA-N -1 3 404.466 4.045 50 0 HIAAHM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015870625 569017318 /nfs/dbraw/zinc/01/73/18/569017318.db2.gz OZJYQUADMKCHNQ-UHFFFAOYSA-N -1 3 409.486 4.298 50 0 HIAAHM COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc(Br)c1[O-] ZINC000102674187 569041192 /nfs/dbraw/zinc/04/11/92/569041192.db2.gz GWEQXGZUDIGCQJ-HNNXBMFYSA-N -1 3 419.279 4.062 50 0 HIAAHM CCOCc1c2ccccc2oc1C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000006385852 569046328 /nfs/dbraw/zinc/04/63/28/569046328.db2.gz CNMUFPBLTOUKKF-UHFFFAOYSA-N -1 3 408.406 4.447 50 0 HIAAHM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c(=O)c1[O-] ZINC000253414444 569051458 /nfs/dbraw/zinc/05/14/58/569051458.db2.gz XNCHNTMTHCEFDH-AWEZNQCLSA-N -1 3 408.328 4.092 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000245311620 569055645 /nfs/dbraw/zinc/05/56/45/569055645.db2.gz PDRWURHQLPIHQI-NJDAHSKKSA-N -1 3 420.490 4.198 50 0 HIAAHM O=S(=O)([N-]Cc1cccn1Cc1ccccc1F)c1ccccc1C(F)(F)F ZINC000064959387 569134946 /nfs/dbraw/zinc/13/49/46/569134946.db2.gz PWPQJVXHIHZING-UHFFFAOYSA-N -1 3 412.408 4.173 50 0 HIAAHM COc1ccc(-c2nnsc2C(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000036365287 569152250 /nfs/dbraw/zinc/15/22/50/569152250.db2.gz NOTSGPLCMJNJJD-UHFFFAOYSA-N -1 3 408.252 4.368 50 0 HIAAHM CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000065021326 569154458 /nfs/dbraw/zinc/15/44/58/569154458.db2.gz RZNAMPPCIYUAKH-UHFFFAOYSA-N -1 3 422.909 4.314 50 0 HIAAHM O=S(=O)([N-]C1CCCCC1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098039 569176918 /nfs/dbraw/zinc/17/69/18/569176918.db2.gz RNHUUETYKWPBHH-UHFFFAOYSA-N -1 3 407.492 4.215 50 0 HIAAHM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000065116283 569179756 /nfs/dbraw/zinc/17/97/56/569179756.db2.gz APEXQBCFWKFOEN-UHFFFAOYSA-N -1 3 417.462 4.111 50 0 HIAAHM O=S(=O)([N-]c1ccccc1Sc1nncs1)C1=Cc2ccccc2CC1 ZINC000065576461 569236090 /nfs/dbraw/zinc/23/60/90/569236090.db2.gz RQRFCKNUFGJIHC-UHFFFAOYSA-N -1 3 401.538 4.418 50 0 HIAAHM COc1ccc([C@@H](NCc2nc(C)ccc2[O-])C(F)(F)F)cc1Br ZINC000170606875 569244519 /nfs/dbraw/zinc/24/45/19/569244519.db2.gz JEWAEVFIYCJJGM-OAHLLOKOSA-N -1 3 405.214 4.260 50 0 HIAAHM CSc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002874766 569278321 /nfs/dbraw/zinc/27/83/21/569278321.db2.gz NDRZKJKDTNFQQI-SNVBAGLBSA-N -1 3 419.355 4.021 50 0 HIAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4nc(C5CCCCC5)[nH]c4c3)ccc2N1 ZINC000079052793 569425711 /nfs/dbraw/zinc/42/57/11/569425711.db2.gz MYBRXRONADDVON-UHFFFAOYSA-N -1 3 424.526 4.296 50 0 HIAAHM COc1ccc(CNCc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1OC ZINC000008610940 571094396 /nfs/dbraw/zinc/09/43/96/571094396.db2.gz NODCXISAYFACNK-UHFFFAOYSA-N -1 3 422.525 4.467 50 0 HIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(-c3ccccc3F)s2)ccc1F ZINC000040080020 571155264 /nfs/dbraw/zinc/15/52/64/571155264.db2.gz HZJZSWSEYBBVDM-UHFFFAOYSA-N -1 3 408.451 4.317 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1 ZINC000008961234 571189799 /nfs/dbraw/zinc/18/97/99/571189799.db2.gz PTKJWRUOLWFPPV-UHFFFAOYSA-N -1 3 410.451 4.162 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 ZINC000009172529 571234040 /nfs/dbraw/zinc/23/40/40/571234040.db2.gz UXNVRWRXHOULNJ-UHFFFAOYSA-N -1 3 416.543 4.203 50 0 HIAAHM CCc1ccccc1OCCSc1nc(-c2ccccc2C)nc2cc(=O)[n-]n21 ZINC000009640637 571275602 /nfs/dbraw/zinc/27/56/02/571275602.db2.gz BEYISWVSMUYXPT-UHFFFAOYSA-N -1 3 406.511 4.127 50 0 HIAAHM CC[C@@]1(c2ccc(Cl)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009666588 571278031 /nfs/dbraw/zinc/27/80/31/571278031.db2.gz MCGVYTJDXSGRDX-SFHVURJKSA-N -1 3 418.749 4.393 50 0 HIAAHM O=C([O-])c1ccc(-n2cc(CNCc3ccc4c(c3)OCO4)c3ccccc32)s1 ZINC000009740922 571283524 /nfs/dbraw/zinc/28/35/24/571283524.db2.gz CINYOEFCMQWMSW-UHFFFAOYSA-N -1 3 406.463 4.409 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000009827903 571286637 /nfs/dbraw/zinc/28/66/37/571286637.db2.gz OMFSCVFIRHKZDH-UHFFFAOYSA-N -1 3 410.451 4.244 50 0 HIAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc4c(c3)OCCO4)nc(=O)c2c1C ZINC000096792525 852554733 /nfs/dbraw/zinc/55/47/33/852554733.db2.gz HTWZPNZIOAUZSY-YRNVUSSQSA-N -1 3 418.858 4.000 50 0 HIAAHM CCOC(=O)c1sc2[nH]c(C=Cc3cc(Cl)c([O-])c(OC)c3)nc(=O)c2c1C ZINC000096792147 852554855 /nfs/dbraw/zinc/55/48/55/852554855.db2.gz KPCDJAXWEJSLHZ-WAYWQWQTSA-N -1 3 420.874 4.008 50 0 HIAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 ZINC000008768741 132333258 /nfs/dbraw/zinc/33/32/58/132333258.db2.gz MEGKZUNYPKCXSY-UHFFFAOYSA-N -1 3 400.544 4.410 50 0 HIAAHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000032932355 518463216 /nfs/dbraw/zinc/46/32/16/518463216.db2.gz MFLATZDVLNMQLX-UHFFFAOYSA-N -1 3 409.442 4.372 50 0 HIAAHM CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)[N-]c2nnc(C(C)C)s2)s1 ZINC000044889645 519470303 /nfs/dbraw/zinc/47/03/03/519470303.db2.gz FRAIQJANHKZIDN-UHFFFAOYSA-N -1 3 415.544 4.232 50 0 HIAAHM CCCC[N-]C(=S)C(=O)Nc1c(Br)cc(C)cc1Br ZINC000020582990 520689836 /nfs/dbraw/zinc/68/98/36/520689836.db2.gz QKCCQHBXLXWMCK-UHFFFAOYSA-N -1 3 408.159 4.176 50 0 HIAAHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000032325605 521633431 /nfs/dbraw/zinc/63/34/31/521633431.db2.gz NOEALGZSAKCMED-CYBMUJFWSA-N -1 3 402.442 4.168 50 0 HIAAHM Cc1[nH]nc(-c2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)cc2[O-])c1-c1ccccc1 ZINC000020589429 525463112 /nfs/dbraw/zinc/46/31/12/525463112.db2.gz WKGNEVKIGSGPKY-IAGOWNOFSA-N -1 3 407.514 4.246 50 0 HIAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCCC2)cc(Cl)c1[O-] ZINC000000716281 557068141 /nfs/dbraw/zinc/06/81/41/557068141.db2.gz XTOCBSAOKDIBAF-GOSISDBHSA-N -1 3 422.909 4.338 50 0 biogenic,in-vitro HIAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002257368 557332095 /nfs/dbraw/zinc/33/20/95/557332095.db2.gz DWRHYVOPSVWUDG-FQEVSTJZSA-N -1 3 418.371 4.407 50 0 HIAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1)C(F)(F)F ZINC000002257369 557332154 /nfs/dbraw/zinc/33/21/54/557332154.db2.gz DWRHYVOPSVWUDG-HXUWFJFHSA-N -1 3 418.371 4.407 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002300479 557335452 /nfs/dbraw/zinc/33/54/52/557335452.db2.gz WCDOGQLSLKOGSA-GOSISDBHSA-N -1 3 414.811 4.312 50 0 HIAAHM CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000002849294 557403522 /nfs/dbraw/zinc/40/35/22/557403522.db2.gz OLTYDYMBOSFEDM-UHFFFAOYSA-N -1 3 423.494 4.007 50 0 HIAAHM Cc1ccccc1-n1nc(C(=O)c2cccs2)cc(-c2nc3ccccc3[n-]2)c1=N ZINC000004473114 557557083 /nfs/dbraw/zinc/55/70/83/557557083.db2.gz ZQUJJBJUSMVGFO-UHFFFAOYSA-N -1 3 411.490 4.496 50 0 HIAAHM O=C([O-])C1C2C=CC(C2)C1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000584904475 557742327 /nfs/dbraw/zinc/74/23/27/557742327.db2.gz DMZKZVOMYNYIME-BNBDDXAPSA-N -1 3 416.886 4.115 50 0 HIAAHM COc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(Cc3ccccc3C)n2)o1 ZINC000002796328 557765397 /nfs/dbraw/zinc/76/53/97/557765397.db2.gz CJXNNPYXYYERRB-UHFFFAOYSA-N -1 3 418.453 4.068 50 0 HIAAHM Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccccc3)c2)cc1F ZINC000003022978 557781832 /nfs/dbraw/zinc/78/18/32/557781832.db2.gz PCRSURCECRESDL-UHFFFAOYSA-N -1 3 416.449 4.004 50 0 HIAAHM CCCCSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(F)cc21 ZINC000009600931 557846780 /nfs/dbraw/zinc/84/67/80/557846780.db2.gz RRMDCYPDTNKKPR-NRFANRHFSA-N -1 3 423.473 4.179 50 0 HIAAHM COc1ccc(N2C(=O)[C@@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000013596905 558547398 /nfs/dbraw/zinc/54/73/98/558547398.db2.gz RAYDPGXMQUXRBR-WRALFONMSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1cc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)c(C)n1Cc1cccs1 ZINC000023328596 558549275 /nfs/dbraw/zinc/54/92/75/558549275.db2.gz BEXCBEVVLHGGSE-UHFFFAOYSA-N -1 3 415.515 4.296 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000013660772 558559755 /nfs/dbraw/zinc/55/97/55/558559755.db2.gz AKDBBUXGUHMDLV-QHAWAJNXSA-N -1 3 420.852 4.097 50 0 HIAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000027020470 558668500 /nfs/dbraw/zinc/66/85/00/558668500.db2.gz KVKVUGPPNZNELY-WAOWUJCRSA-N -1 3 420.431 4.222 50 0 HIAAHM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000033115371 558761545 /nfs/dbraw/zinc/76/15/45/558761545.db2.gz QHIVUJDSZTXKSR-KRWDZBQOSA-N -1 3 400.544 4.051 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000016293503 558784375 /nfs/dbraw/zinc/78/43/75/558784375.db2.gz FICSITAXUVRZHT-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2c(C)[nH]c3ccccc32)cc1Cl ZINC000004594001 558831883 /nfs/dbraw/zinc/83/18/83/558831883.db2.gz KDIKKLNTYRJNPR-UHFFFAOYSA-N -1 3 413.326 4.313 50 0 HIAAHM COc1ccc2[nH]c(C)c(CC[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2c1 ZINC000004594011 558831920 /nfs/dbraw/zinc/83/19/20/558831920.db2.gz VZVXGIOTBFIYMT-UHFFFAOYSA-N -1 3 413.326 4.313 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(-c3noc(C(C)(C)C)n3)c2)cc1 ZINC000033013418 558833700 /nfs/dbraw/zinc/83/37/00/558833700.db2.gz KPYHJKDUZYMZNS-UHFFFAOYSA-N -1 3 415.515 4.406 50 0 HIAAHM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CC[C@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000033023744 558840583 /nfs/dbraw/zinc/84/05/83/558840583.db2.gz DVSHKZNFRUOWDL-LJQANCHMSA-N -1 3 409.486 4.093 50 0 HIAAHM COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc([N-]C(=O)c4ccco4)nc3N2)cc1 ZINC000005149987 559252066 /nfs/dbraw/zinc/25/20/66/559252066.db2.gz OUUHGPLUKUYUEN-MOPGFXCFSA-N -1 3 415.453 4.278 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000136600751 559277526 /nfs/dbraw/zinc/27/75/26/559277526.db2.gz GZHKIWXLDRAFST-PWRODBHTSA-N -1 3 420.852 4.097 50 0 HIAAHM [O-][C@]1(C(F)(F)F)C=C(c2ccccn2)NN1c1nc(-c2ccc(F)cc2)cs1 ZINC000005242823 560549838 /nfs/dbraw/zinc/54/98/38/560549838.db2.gz HCAYPSYEUDIIHK-KRWDZBQOSA-N -1 3 408.380 4.210 50 0 HIAAHM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2c(n(CC(C)C)c1=O)CCCC2 ZINC000005444162 560587984 /nfs/dbraw/zinc/58/79/84/560587984.db2.gz UZEHLRVRTPGLKR-UHFFFAOYSA-N -1 3 404.894 4.003 50 0 HIAAHM O=C(/C=C/c1ccco1)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000001094598 560728043 /nfs/dbraw/zinc/72/80/43/560728043.db2.gz VOVJMWNQIFSAID-CSKARUKUSA-N -1 3 405.435 4.320 50 0 HIAAHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1ccccc1F ZINC000009615064 560760040 /nfs/dbraw/zinc/76/00/40/560760040.db2.gz DNJYMQYGHDZYJP-UHFFFAOYSA-N -1 3 406.870 4.194 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102690658 560819913 /nfs/dbraw/zinc/81/99/13/560819913.db2.gz PQRXXEZTUSVBNK-QHAWAJNXSA-N -1 3 404.853 4.391 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102705400 560820484 /nfs/dbraw/zinc/82/04/84/560820484.db2.gz GRRKMZLJNJMNDH-PCCBWWKXSA-N -1 3 404.853 4.391 50 0 HIAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000102733295 560822562 /nfs/dbraw/zinc/82/25/62/560822562.db2.gz BGMVTEUMGWDEOV-AKIFATBCSA-N -1 3 416.452 4.494 50 0 HIAAHM COc1ccc(Cl)cc1NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)c[n-]1 ZINC000012169045 560890734 /nfs/dbraw/zinc/89/07/34/560890734.db2.gz ILIFUPZIQLWBNU-UHFFFAOYSA-N -1 3 402.809 4.420 50 0 HIAAHM Cc1ccc(NC(=O)CN2CCc3[n-]c4c(F)ccc(F)c4c(=O)c3C2)c(Cl)c1 ZINC000049003244 568446245 /nfs/dbraw/zinc/44/62/45/568446245.db2.gz GISJMAZHMHDSHN-UHFFFAOYSA-N -1 3 417.843 4.177 50 0 HIAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000024888329 568476139 /nfs/dbraw/zinc/47/61/39/568476139.db2.gz CCIZKORDOHIDBJ-UHFFFAOYSA-N -1 3 414.458 4.029 50 0 HIAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)cc1OC ZINC000095466366 568624347 /nfs/dbraw/zinc/62/43/47/568624347.db2.gz PXFHXXCRIZJHGN-UHFFFAOYSA-N -1 3 418.559 4.175 50 0 HIAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc(Cl)c1 ZINC000096012526 568684894 /nfs/dbraw/zinc/68/48/94/568684894.db2.gz NMUYOSXLAWVYRS-LJQANCHMSA-N -1 3 419.934 4.045 50 0 HIAAHM CSc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096116827 568696149 /nfs/dbraw/zinc/69/61/49/568696149.db2.gz KUEFRHXQSJFVMK-GUYCJALGSA-N -1 3 419.572 4.215 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2Cl)CCO1 ZINC000096117271 568696699 /nfs/dbraw/zinc/69/66/99/568696699.db2.gz VJZVXRBZCWUIAN-BDJLRTHQSA-N -1 3 407.923 4.147 50 0 HIAAHM CSc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1 ZINC000096117152 568696798 /nfs/dbraw/zinc/69/67/98/568696798.db2.gz PQEBYHFSAGQIMY-INIZCTEOSA-N -1 3 407.586 4.153 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc3cccnc32)CCO1 ZINC000096117749 568697109 /nfs/dbraw/zinc/69/71/09/568697109.db2.gz OEXAQJUCUMFAEZ-AUUYWEPGSA-N -1 3 424.526 4.042 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc3nccnc3c2)S1 ZINC000096118291 568697804 /nfs/dbraw/zinc/69/78/04/568697804.db2.gz FOXSVRWFUPQPDQ-KDOFPFPSSA-N -1 3 409.515 4.136 50 0 HIAAHM O=C(c1cccc(Br)c1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000000845872 568710511 /nfs/dbraw/zinc/71/05/11/568710511.db2.gz DZVNDHDTXLLHSX-IUODEOHRSA-N -1 3 405.214 4.092 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2cccs2)cc1 ZINC000229969078 568716303 /nfs/dbraw/zinc/71/63/03/568716303.db2.gz CFPAIWKZMJGJHM-PWRODBHTSA-N -1 3 404.491 4.416 50 0 HIAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC000002466001 568772556 /nfs/dbraw/zinc/77/25/56/568772556.db2.gz FGVZDWXURFXKAC-UHFFFAOYSA-N -1 3 424.478 4.442 50 0 HIAAHM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1cc(F)ccc1F ZINC000002748037 568806221 /nfs/dbraw/zinc/80/62/21/568806221.db2.gz XDZPRFYZMVQZAJ-UHFFFAOYSA-N -1 3 424.469 4.246 50 0 HIAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)c1ccc2c(c1)OCCO2 ZINC000005959382 568832416 /nfs/dbraw/zinc/83/24/16/568832416.db2.gz LHXCPMGLHOVDFT-UHFFFAOYSA-N -1 3 403.460 4.167 50 0 HIAAHM Cc1cnc(C(=O)[N-]c2nnc(SCc3c(Cl)cccc3Cl)s2)cn1 ZINC000003329714 568881663 /nfs/dbraw/zinc/88/16/63/568881663.db2.gz IKIBEZGCHGPZSF-UHFFFAOYSA-N -1 3 412.327 4.488 50 0 HIAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 ZINC000003404722 568896981 /nfs/dbraw/zinc/89/69/81/568896981.db2.gz NICQJTWUCCFEIV-INIZCTEOSA-N -1 3 419.305 4.074 50 0 HIAAHM COc1ccc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c(OC)c1 ZINC000003521481 568912309 /nfs/dbraw/zinc/91/23/09/568912309.db2.gz PVYLPZAJBPHYJX-UHFFFAOYSA-N -1 3 405.476 4.413 50 0 HIAAHM COc1cccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1OC ZINC000003571631 568916772 /nfs/dbraw/zinc/91/67/72/568916772.db2.gz DTKYQGAAMAKISZ-UHFFFAOYSA-N -1 3 421.522 4.301 50 0 HIAAHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000031337079 568924330 /nfs/dbraw/zinc/92/43/30/568924330.db2.gz IRTSPWOSDJMWSK-LLVKDONJSA-N -1 3 401.315 4.198 50 0 HIAAHM CC(=O)N1Cc2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Oc2ccccc21 ZINC000003997659 568931926 /nfs/dbraw/zinc/93/19/26/568931926.db2.gz HEBXAUQCPJUDQN-UHFFFAOYSA-N -1 3 408.479 4.455 50 0 HIAAHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012747787 568933775 /nfs/dbraw/zinc/93/37/75/568933775.db2.gz WOSQZGRRJXFKOG-HNNXBMFYSA-N -1 3 415.921 4.032 50 0 HIAAHM Cc1ccc(S(=O)(=O)N(C(=O)c2cc3c(s2)CCC3)c2ccc([O-])cc2)cc1 ZINC000084160062 568941319 /nfs/dbraw/zinc/94/13/19/568941319.db2.gz DWIPMWQGWRZTNY-UHFFFAOYSA-N -1 3 413.520 4.287 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000004110927 568944038 /nfs/dbraw/zinc/94/40/38/568944038.db2.gz RHXGJHVZAGXKTP-GUDVDZBRSA-N -1 3 410.882 4.453 50 0 HIAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)on2)cc1 ZINC000007988641 568965976 /nfs/dbraw/zinc/96/59/76/568965976.db2.gz QGISCJXPCXJLNK-HXUWFJFHSA-N -1 3 419.481 4.197 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000008405080 569001224 /nfs/dbraw/zinc/00/12/24/569001224.db2.gz DMICQXIIOFSQNO-UHFFFAOYSA-N -1 3 422.934 4.166 50 0 HIAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1cc(F)c(F)cc1Cl ZINC000012888711 569019840 /nfs/dbraw/zinc/01/98/40/569019840.db2.gz MPKYAGBYMXTNRX-UHFFFAOYSA-N -1 3 420.799 4.089 50 0 HIAAHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000012918206 569022666 /nfs/dbraw/zinc/02/26/66/569022666.db2.gz DKMGHNXOBYQPEG-UHFFFAOYSA-N -1 3 411.760 4.085 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000226989361 569039956 /nfs/dbraw/zinc/03/99/56/569039956.db2.gz XAMWYDMNVIRRQK-KMDXXIMOSA-N -1 3 421.456 4.286 50 0 HIAAHM COc1ccc(N2C(=O)[C@]3(C)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239402694 569054295 /nfs/dbraw/zinc/05/42/95/569054295.db2.gz RAYDPGXMQUXRBR-SLSDLSHTSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000245311314 569055671 /nfs/dbraw/zinc/05/56/71/569055671.db2.gz NDIWNNJWRZVTDL-NJDAHSKKSA-N -1 3 419.868 4.095 50 0 HIAAHM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000064801720 569097872 /nfs/dbraw/zinc/09/78/72/569097872.db2.gz MZNURFZWDLEDKA-UHFFFAOYSA-N -1 3 417.922 4.415 50 0 HIAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021110 569154280 /nfs/dbraw/zinc/15/42/80/569154280.db2.gz INBWICFLGMNZBI-UHFFFAOYSA-N -1 3 404.507 4.215 50 0 HIAAHM Cc1ccc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)cc1F ZINC000065034998 569158610 /nfs/dbraw/zinc/15/86/10/569158610.db2.gz XNBOKFSYSUSGDV-UHFFFAOYSA-N -1 3 417.843 4.177 50 0 HIAAHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000065116772 569179993 /nfs/dbraw/zinc/17/99/93/569179993.db2.gz XWRFYJBLSJPSLG-INIZCTEOSA-N -1 3 413.634 4.031 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@H](c1ccc(C)cc1)N2 ZINC000065298498 569219419 /nfs/dbraw/zinc/21/94/19/569219419.db2.gz YBTMQSXCSOGIKA-HXUWFJFHSA-N -1 3 411.933 4.216 50 0 HIAAHM CC(C)[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000009870701 569251227 /nfs/dbraw/zinc/25/12/27/569251227.db2.gz IIMOTBCVCLJFNA-NRFANRHFSA-N -1 3 413.493 4.289 50 0 HIAAHM COc1ccc(-c2cc(-c3cc(Br)cc4c3OCOC4)[nH]n2)c([O-])c1 ZINC000008566627 571081881 /nfs/dbraw/zinc/08/18/81/571081881.db2.gz PKMPJSVALYDAHL-UHFFFAOYSA-N -1 3 403.232 4.087 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1C ZINC000008961036 571189415 /nfs/dbraw/zinc/18/94/15/571189415.db2.gz ROSWHNXRXLTJJJ-UHFFFAOYSA-N -1 3 424.478 4.187 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009171913 571234075 /nfs/dbraw/zinc/23/40/75/571234075.db2.gz RMOOUECRIHUKGP-UHFFFAOYSA-N -1 3 416.543 4.266 50 0 HIAAHM COc1ccc(Cl)cc1-n1c(=O)c2cn[n-]c2nc1SCc1cccc(F)c1 ZINC000009495631 571263119 /nfs/dbraw/zinc/26/31/19/571263119.db2.gz XHRRHQDMXSSUJS-UHFFFAOYSA-N -1 3 416.865 4.202 50 0 HIAAHM COc1ccc(Cl)cc1-n1c(=O)c2c[n-]nc2nc1SCc1cccc(F)c1 ZINC000009495631 571263120 /nfs/dbraw/zinc/26/31/20/571263120.db2.gz XHRRHQDMXSSUJS-UHFFFAOYSA-N -1 3 416.865 4.202 50 0 HIAAHM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1(C)C ZINC000078515213 571313422 /nfs/dbraw/zinc/31/34/22/571313422.db2.gz TWJOHARRWGORHV-SWLSCSKDSA-N -1 3 404.454 4.254 50 0 HIAAHM Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=Cc2ccccc2C(F)(F)F)c1Cl ZINC000254616741 854212809 /nfs/dbraw/zinc/21/28/09/854212809.db2.gz TYVOFMJPFYDGOK-UHFFFAOYSA-N -1 3 411.598 4.407 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)c(C)c1 ZINC000005099595 132301195 /nfs/dbraw/zinc/30/11/95/132301195.db2.gz KJJYXFCQACDFTQ-UHFFFAOYSA-N -1 3 410.495 4.290 50 0 HIAAHM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc21 ZINC000006893051 132319830 /nfs/dbraw/zinc/31/98/30/132319830.db2.gz WAJYRFCCDLCSRD-GFCCVEGCSA-N -1 3 410.948 4.296 50 0 HIAAHM O=c1nc(CN2CCN(c3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000008687791 132332118 /nfs/dbraw/zinc/33/21/18/132332118.db2.gz RTWLBIQYRTXYDQ-UHFFFAOYSA-N -1 3 402.523 4.386 50 0 aggregator HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(OC)c1 ZINC000020580353 522529659 /nfs/dbraw/zinc/52/96/59/522529659.db2.gz AOTNZVPTLIFPEY-UHFFFAOYSA-N -1 3 422.890 4.430 50 0 HIAAHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c4c2cccc4C(=O)[N-]C3=O)cc1 ZINC000000692960 557061148 /nfs/dbraw/zinc/06/11/48/557061148.db2.gz SQSFCKJPPHEMGL-UHFFFAOYSA-N -1 3 402.450 4.038 50 0 HIAAHM Cc1cc([N-]C(=O)Nc2scc(S(=O)(=O)c3ccc(Cl)cc3)c2C)on1 ZINC000001037558 557151398 /nfs/dbraw/zinc/15/13/98/557151398.db2.gz ZKAGHIFMTVPFBZ-UHFFFAOYSA-N -1 3 411.892 4.483 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)Nc1ccc(C)cc1 ZINC000001164476 557220033 /nfs/dbraw/zinc/22/00/33/557220033.db2.gz BAHWLTMYUFEZSI-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000009886197 557850647 /nfs/dbraw/zinc/85/06/47/557850647.db2.gz XJXCPQNDYJDIGG-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM C[C@H](Sc1ccccc1Br)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000021761797 558447953 /nfs/dbraw/zinc/44/79/53/558447953.db2.gz ORERHLPIEAKKOS-NSHDSACASA-N -1 3 414.346 4.184 50 0 HIAAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2)c1ccco1 ZINC000013121900 558517545 /nfs/dbraw/zinc/51/75/45/558517545.db2.gz ADNZEQOQYMAIQJ-ROUUACIJSA-N -1 3 403.417 4.409 50 0 HIAAHM CCC(CC)c1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000024575052 558601645 /nfs/dbraw/zinc/60/16/45/558601645.db2.gz BGMHKWMTCKOOQJ-UHFFFAOYSA-N -1 3 410.425 4.294 50 0 HIAAHM COc1cc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc(OC)c1[O-] ZINC000035606434 558794181 /nfs/dbraw/zinc/79/41/81/558794181.db2.gz GUGMERWVULVOMO-UHFFFAOYSA-N -1 3 419.437 4.239 50 0 HIAAHM COc1ccc(CN2CCc3nc(SCc4cccc(OC)c4)[n-]c(=O)c3C2)cc1 ZINC000033287259 559043838 /nfs/dbraw/zinc/04/38/38/559043838.db2.gz VWVWGVSPMOGCKO-UHFFFAOYSA-N -1 3 423.538 4.050 50 0 HIAAHM O=S(=O)([N-]C[C@H](O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1 ZINC000585147875 559059577 /nfs/dbraw/zinc/05/95/77/559059577.db2.gz FINKDPAWAHVQLF-VIFPVBQESA-N -1 3 405.975 4.203 50 0 HIAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CC[C@@H]1c1ccccc1 ZINC000091986040 559075006 /nfs/dbraw/zinc/07/50/06/559075006.db2.gz ZSCUQYNKLNSBGK-GOSISDBHSA-N -1 3 414.292 4.255 50 0 HIAAHM CC(=O)O[C@H]1C[C@@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c3ccc([O-])cc3)CC(C)=CC[C@]21C ZINC000095100126 559079413 /nfs/dbraw/zinc/07/94/13/559079413.db2.gz CHQMIQBQLGDCJJ-CQHWMIAWSA-N -1 3 416.514 4.003 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1 ZINC000100737088 559138832 /nfs/dbraw/zinc/13/88/32/559138832.db2.gz NIZSWNKIVADIJS-CTNGQTDRSA-N -1 3 401.853 4.123 50 0 HIAAHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000011752569 559257486 /nfs/dbraw/zinc/25/74/86/559257486.db2.gz HALREIJQNLCQRH-UHFFFAOYSA-N -1 3 412.858 4.363 50 0 HIAAHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cn[n-]c1-c1ccc(Cl)cc1 ZINC000011752569 559257487 /nfs/dbraw/zinc/25/74/87/559257487.db2.gz HALREIJQNLCQRH-UHFFFAOYSA-N -1 3 412.858 4.363 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000005555194 560609050 /nfs/dbraw/zinc/60/90/50/560609050.db2.gz UABRJPJIQRLWQC-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM CSc1nc(N2[C@@H](O)C(=O)C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)n[n-]1 ZINC000101353768 560792173 /nfs/dbraw/zinc/79/21/73/560792173.db2.gz VJDNVTCPFXKLIY-WBVHZDCISA-N -1 3 400.891 4.029 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c(C)c1 ZINC000102708455 560820807 /nfs/dbraw/zinc/82/08/07/560820807.db2.gz LKAMQFQKVLEIFI-DNVJHFABSA-N -1 3 414.461 4.060 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000102763166 560824917 /nfs/dbraw/zinc/82/49/17/560824917.db2.gz RPNKTIDKSYHAFW-BHIFYINESA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)c(C)s1 ZINC000046057256 568426069 /nfs/dbraw/zinc/42/60/69/568426069.db2.gz QBAAITLKSZBGGD-AWEZNQCLSA-N -1 3 401.438 4.446 50 0 HIAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1-c1nnc(C2CC2)o1 ZINC000096379658 568741243 /nfs/dbraw/zinc/74/12/43/568741243.db2.gz CEBALNSCNAXETD-UHFFFAOYSA-N -1 3 410.858 4.152 50 0 HIAAHM COc1ccc(N2C=C[C@H](c3ccccc3)C(=C([O-])c3ccccc3)S2(=O)=O)cc1 ZINC000096593700 568763477 /nfs/dbraw/zinc/76/34/77/568763477.db2.gz WEJPKYKWWNUQTG-ISKFKSNPSA-N -1 3 419.502 4.394 50 0 HIAAHM O=C([N-]c1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1cccc[n+]1[O-] ZINC000057206081 568824892 /nfs/dbraw/zinc/82/48/92/568824892.db2.gz GIMUHJQHXJRBTN-UHFFFAOYSA-N -1 3 413.808 4.292 50 0 HIAAHM CCc1cc2c(CSc3nnc(-c4ccccc4C)n3C)cc(=O)oc2cc1[O-] ZINC000005860770 568826250 /nfs/dbraw/zinc/82/62/50/568826250.db2.gz PHHBIGAUYKTWDU-UHFFFAOYSA-N -1 3 407.495 4.457 50 0 HIAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2F)cc1 ZINC000003022363 568840608 /nfs/dbraw/zinc/84/06/08/568840608.db2.gz VDLQPZOYUWJPQX-UHFFFAOYSA-N -1 3 412.486 4.173 50 0 HIAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)nc1 ZINC000012554411 568855086 /nfs/dbraw/zinc/85/50/86/568855086.db2.gz DRAONCZBSBYBLN-UHFFFAOYSA-N -1 3 401.875 4.097 50 0 HIAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000012561201 568858549 /nfs/dbraw/zinc/85/85/49/568858549.db2.gz OUXLOZBBUNWQSP-UHFFFAOYSA-N -1 3 410.495 4.224 50 0 HIAAHM COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1[O-] ZINC000003647438 568866148 /nfs/dbraw/zinc/86/61/48/568866148.db2.gz FVJBGCNKGRQIOZ-ZKANADHPSA-N -1 3 423.332 4.204 50 0 HIAAHM Cc1cc(C)c2c(=O)[n-]c(S[C@H](C)C(=O)Nc3ccc(Cl)cc3F)nc2n1 ZINC000012734973 568923849 /nfs/dbraw/zinc/92/38/49/568923849.db2.gz CCJNKVRRPAGTGI-SNVBAGLBSA-N -1 3 406.870 4.259 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c(C)c1 ZINC000245309108 569055716 /nfs/dbraw/zinc/05/57/16/569055716.db2.gz BEHNWZBSIRATNN-DNVJHFABSA-N -1 3 416.452 4.494 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000006583881 569067981 /nfs/dbraw/zinc/06/79/81/569067981.db2.gz COXOIWGQVHFSEF-UHFFFAOYSA-N -1 3 411.483 4.448 50 0 HIAAHM CCOc1cccc2cc(-c3nc4sc5c(c4c(=O)[n-]3)CC[C@@H](C)C5)c(=O)oc21 ZINC000006748595 569108926 /nfs/dbraw/zinc/10/89/26/569108926.db2.gz BTGYIKWAZFTXBZ-LLVKDONJSA-N -1 3 408.479 4.282 50 0 HIAAHM COc1cccc(CNCc2c(C)n(Cc3cccc(OC)c3)c(C)c2C(=O)[O-])c1 ZINC000006806825 569131216 /nfs/dbraw/zinc/13/12/16/569131216.db2.gz KCBSFGZVTFTXOB-UHFFFAOYSA-N -1 3 408.498 4.158 50 0 HIAAHM O=S(=O)([N-]Cc1cccs1)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000064988149 569145660 /nfs/dbraw/zinc/14/56/60/569145660.db2.gz OMLCJMOAGUOYHH-UHFFFAOYSA-N -1 3 415.471 4.083 50 0 HIAAHM Cc1nc2ccc([N-]S(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)cc2o1 ZINC000065068851 569167510 /nfs/dbraw/zinc/16/75/10/569167510.db2.gz PYKAQTUASZYAHR-UHFFFAOYSA-N -1 3 406.410 4.467 50 0 HIAAHM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000065115868 569179708 /nfs/dbraw/zinc/17/97/08/569179708.db2.gz PQYGWAJLIQXRTD-UHFFFAOYSA-N -1 3 417.462 4.165 50 0 HIAAHM O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1n[n-]nc1-c1ccccc1 ZINC000170607982 569244607 /nfs/dbraw/zinc/24/46/07/569244607.db2.gz AHEHQZBMBRJGPD-UHFFFAOYSA-N -1 3 404.474 4.132 50 0 HIAAHM CCc1cc2c(CN3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2cc1[O-] ZINC000007740740 569305375 /nfs/dbraw/zinc/30/53/75/569305375.db2.gz DKNRVOMHAULXAT-FQEVSTJZSA-N -1 3 409.482 4.415 50 0 HIAAHM O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1ccc2n[n-]nc2c1 ZINC000040050561 571144385 /nfs/dbraw/zinc/14/43/85/571144385.db2.gz ZNZVKHWQSKSANT-UHFFFAOYSA-N -1 3 419.388 4.156 50 0 HIAAHM CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccs1 ZINC000040115481 571173301 /nfs/dbraw/zinc/17/33/01/571173301.db2.gz JVSSKCZIWNJFMP-SFHVURJKSA-N -1 3 421.519 4.143 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961287 571189733 /nfs/dbraw/zinc/18/97/33/571189733.db2.gz BCZQZZGNXYIYGJ-UHFFFAOYSA-N -1 3 410.451 4.162 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1ccc(F)cc1F ZINC000009120410 571225279 /nfs/dbraw/zinc/22/52/79/571225279.db2.gz ROJZFUMSAAAVDE-UHFFFAOYSA-N -1 3 420.412 4.465 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc2OCC(C)(C)C1=O ZINC000009172054 571234154 /nfs/dbraw/zinc/23/41/54/571234154.db2.gz TXIKGUJRIQMNPP-UHFFFAOYSA-N -1 3 416.543 4.266 50 0 HIAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc2ccsc2c(=O)[n-]1 ZINC000009417130 571256314 /nfs/dbraw/zinc/25/63/14/571256314.db2.gz NWMMHJVNMCJMMV-UHFFFAOYSA-N -1 3 419.821 4.098 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000009427454 571257984 /nfs/dbraw/zinc/25/79/84/571257984.db2.gz FSDUJCWLMIKSOR-QHAWAJNXSA-N -1 3 420.852 4.097 50 0 HIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1CCS[C@H]1c1ccccc1F ZINC000009447798 571259712 /nfs/dbraw/zinc/25/97/12/571259712.db2.gz LFCMCICIJVFOMR-INIZCTEOSA-N -1 3 406.533 4.039 50 0 HIAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1CCS[C@@H]1c1ccccc1F ZINC000009447792 571259738 /nfs/dbraw/zinc/25/97/38/571259738.db2.gz LFCMCICIJVFOMR-MRXNPFEDSA-N -1 3 406.533 4.039 50 0 HIAAHM CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000009586104 571271449 /nfs/dbraw/zinc/27/14/49/571271449.db2.gz IJSQMTRJWZBMGU-GFCCVEGCSA-N -1 3 400.529 4.491 50 0 HIAAHM CS(=O)(=O)c1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000009712702 571281251 /nfs/dbraw/zinc/28/12/51/571281251.db2.gz CZGLTDHHZWUFTB-UHFFFAOYSA-N -1 3 424.503 4.325 50 0 HIAAHM CCOC(=O)c1ccc2nc([N-]C(=O)c3cc(-c4ccc(OC)cc4)on3)sc2c1 ZINC000010232773 571297576 /nfs/dbraw/zinc/29/75/76/571297576.db2.gz QYIRIMFZOMRLLG-UHFFFAOYSA-N -1 3 423.450 4.389 50 0 HIAAHM CCOC(=O)C(=Cc1ccc(SC)cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000006620998 845215050 /nfs/dbraw/zinc/21/50/50/845215050.db2.gz KQYVKKBLFODQID-XNTDXEJSSA-N -1 3 400.525 4.427 50 0 HIAAHM O=S(=O)([N-][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1F ZINC000032936891 527234523 /nfs/dbraw/zinc/23/45/23/527234523.db2.gz LUHJDSADWSBCFR-IBGZPJMESA-N -1 3 413.449 4.034 50 0 HIAAHM Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1ccc(-c2ccccn2)s1 ZINC000004362435 557546857 /nfs/dbraw/zinc/54/68/57/557546857.db2.gz LJFJQTCSAPPVKK-UHFFFAOYSA-N -1 3 411.508 4.252 50 0 HIAAHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004904978 557611748 /nfs/dbraw/zinc/61/17/48/557611748.db2.gz YGQLTRGCDFWUNA-OAHLLOKOSA-N -1 3 407.230 4.482 50 0 HIAAHM COC(=O)c1c([N-]C(=O)C(F)(F)F)scc1-c1ccc(Br)cc1 ZINC000002767274 557759902 /nfs/dbraw/zinc/75/99/02/557759902.db2.gz XIZWZCFCVJKGOT-UHFFFAOYSA-N -1 3 408.195 4.465 50 0 HIAAHM C[C@]1(c2ccccc2Cl)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000022357326 558482717 /nfs/dbraw/zinc/48/27/17/558482717.db2.gz OUOUHIACOAIKMZ-QGZVFWFLSA-N -1 3 404.722 4.003 50 0 HIAAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2)c1ccco1 ZINC000013121902 558517576 /nfs/dbraw/zinc/51/75/76/558517576.db2.gz ADNZEQOQYMAIQJ-MSOLQXFVSA-N -1 3 403.417 4.409 50 0 HIAAHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1 ZINC000023156701 558539702 /nfs/dbraw/zinc/53/97/02/558539702.db2.gz KDZCKCZASRXYRZ-ZIAGYGMSSA-N -1 3 424.925 4.398 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013662033 558559930 /nfs/dbraw/zinc/55/99/30/558559930.db2.gz GZHKIWXLDRAFST-NJDAHSKKSA-N -1 3 420.852 4.097 50 0 HIAAHM COc1ccc(OCC(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027743908 558680930 /nfs/dbraw/zinc/68/09/30/558680930.db2.gz ORFIQOITXYJMIC-UHFFFAOYSA-N -1 3 403.232 4.130 50 0 HIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4ccc(C)c(C)c4o3)on2)cc1OC ZINC000027985753 558687341 /nfs/dbraw/zinc/68/73/41/558687341.db2.gz MWOBVUBYAHLFDB-UHFFFAOYSA-N -1 3 420.421 4.334 50 0 HIAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003103534 558750093 /nfs/dbraw/zinc/75/00/93/558750093.db2.gz BSKFZDGPTFUQHU-KRWDZBQOSA-N -1 3 416.783 4.297 50 0 HIAAHM CC(C)CNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033115541 558761804 /nfs/dbraw/zinc/76/18/04/558761804.db2.gz GKAFXVXFTPNQTF-UHFFFAOYSA-N -1 3 414.571 4.415 50 0 HIAAHM O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015922805 558762138 /nfs/dbraw/zinc/76/21/38/558762138.db2.gz GLOQAVAKZQRZQO-UHFFFAOYSA-N -1 3 410.470 4.368 50 0 HIAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccccc2Cl)n1 ZINC000039383684 558820709 /nfs/dbraw/zinc/82/07/09/558820709.db2.gz PWISSAIHWNKPGV-UHFFFAOYSA-N -1 3 410.909 4.169 50 0 HIAAHM CCOc1ccc2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017832033 558828142 /nfs/dbraw/zinc/82/81/42/558828142.db2.gz LJBWAQZMKFCKJK-UHFFFAOYSA-N -1 3 407.861 4.484 50 0 HIAAHM O=c1cc(-c2ccccc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000018219583 558834040 /nfs/dbraw/zinc/83/40/40/558834040.db2.gz WWZHOKGCFJKHMB-UHFFFAOYSA-N -1 3 422.532 4.349 50 0 HIAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CCC1 ZINC000033128553 558882213 /nfs/dbraw/zinc/88/22/13/558882213.db2.gz OBRKWZLKGULJRB-UHFFFAOYSA-N -1 3 400.544 4.169 50 0 HIAAHM COC(=O)c1sccc1[N-]C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000058550035 558928616 /nfs/dbraw/zinc/92/86/16/558928616.db2.gz IEJGFOHUACBLKN-UHFFFAOYSA-N -1 3 410.480 4.096 50 0 HIAAHM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1 ZINC000585147874 559059549 /nfs/dbraw/zinc/05/95/49/559059549.db2.gz FINKDPAWAHVQLF-SECBINFHSA-N -1 3 405.975 4.203 50 0 HIAAHM C[C@H]1CCc2c(sc3[n-]c(COC(=O)c4cccc(OC(F)F)c4)nc(=O)c23)C1 ZINC000003274548 560591134 /nfs/dbraw/zinc/59/11/34/560591134.db2.gz OVANAZTVSBMVMT-JTQLQIEISA-N -1 3 420.437 4.068 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(F)c1 ZINC000018144574 560779838 /nfs/dbraw/zinc/77/98/38/560779838.db2.gz PFUFINGZQLOXFT-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102663101 560819424 /nfs/dbraw/zinc/81/94/24/560819424.db2.gz YDFNFNCLYUEFQC-YTFSRNRJSA-N -1 3 416.452 4.439 50 0 HIAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102724379 560821705 /nfs/dbraw/zinc/82/17/05/560821705.db2.gz PDRWURHQLPIHQI-QHAWAJNXSA-N -1 3 420.490 4.198 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102736950 560824532 /nfs/dbraw/zinc/82/45/32/560824532.db2.gz RHXGJHVZAGXKTP-GBESFXJTSA-N -1 3 410.882 4.453 50 0 HIAAHM O=c1oc2ccccc2c(NC2CCCCC2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000045962003 568422854 /nfs/dbraw/zinc/42/28/54/568422854.db2.gz VWEJCMKLOYKBIH-UHFFFAOYSA-N -1 3 416.474 4.478 50 0 HIAAHM COc1ccc(OC)c(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c1 ZINC000046056738 568426093 /nfs/dbraw/zinc/42/60/93/568426093.db2.gz AQYUEAIWVHMMQR-LJQANCHMSA-N -1 3 419.481 4.123 50 0 HIAAHM O=c1nc(N2CCN(C3CCCCC3)CC2)[n-]c2c(-c3cccc(F)c3)csc21 ZINC000049421031 568450378 /nfs/dbraw/zinc/45/03/78/568450378.db2.gz ZVXJEFNBQJHCPR-UHFFFAOYSA-N -1 3 412.534 4.245 50 0 HIAAHM COC(=O)C[C@H](c1ccc(C)o1)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095477309 568631004 /nfs/dbraw/zinc/63/10/04/568631004.db2.gz LDMXPJPFDCSTKM-MRXNPFEDSA-N -1 3 400.452 4.234 50 0 HIAAHM COC(=O)C[C@@H](c1ccc(F)cc1)c1oc(CSc2ccccc2)cc(=O)c1[O-] ZINC000095479831 568632789 /nfs/dbraw/zinc/63/27/89/568632789.db2.gz QINIXBUHSMQZCO-SFHVURJKSA-N -1 3 414.454 4.472 50 0 HIAAHM CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)[n-]nc1-c1ccccc1 ZINC000095482584 568634638 /nfs/dbraw/zinc/63/46/38/568634638.db2.gz SJKXCTRYRVXKHZ-UHFFFAOYSA-N -1 3 414.259 4.268 50 0 HIAAHM CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)n[n-]c1-c1ccccc1 ZINC000095482584 568634640 /nfs/dbraw/zinc/63/46/40/568634640.db2.gz SJKXCTRYRVXKHZ-UHFFFAOYSA-N -1 3 414.259 4.268 50 0 HIAAHM O=C(COCc1cc(-c2ccc(F)cc2)on1)[N-]c1cc(-c2cccc(F)c2)no1 ZINC000021868282 568755863 /nfs/dbraw/zinc/75/58/63/568755863.db2.gz MFODNHCKROMVKL-UHFFFAOYSA-N -1 3 411.364 4.430 50 0 HIAAHM CC(C)(C)c1ccc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000001096466 568769500 /nfs/dbraw/zinc/76/95/00/568769500.db2.gz VOWUSRYWUSPFRA-OXJNMPFZSA-N -1 3 412.452 4.392 50 0 HIAAHM COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1N1CCCC1=O ZINC000012560819 568858113 /nfs/dbraw/zinc/85/81/13/568858113.db2.gz RRVGAUAOKNVHNT-UHFFFAOYSA-N -1 3 416.543 4.165 50 0 HIAAHM Cc1sc2[n-]c(COC(=O)c3ccccc3C(=O)c3ccccc3)nc(=O)c2c1C ZINC000003314601 568879014 /nfs/dbraw/zinc/87/90/14/568879014.db2.gz IWCCENWPLCSVJU-UHFFFAOYSA-N -1 3 418.474 4.189 50 0 HIAAHM Cc1noc(C)c1CSCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000003424667 568900277 /nfs/dbraw/zinc/90/02/77/568900277.db2.gz MOWJDNSONIJFJF-UHFFFAOYSA-N -1 3 423.951 4.227 50 0 HIAAHM Cc1noc(C)c1CSCC(=O)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000003424667 568900280 /nfs/dbraw/zinc/90/02/80/568900280.db2.gz MOWJDNSONIJFJF-UHFFFAOYSA-N -1 3 423.951 4.227 50 0 HIAAHM Cc1noc(C)c1CSCC(=O)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000003424667 568900282 /nfs/dbraw/zinc/90/02/82/568900282.db2.gz MOWJDNSONIJFJF-UHFFFAOYSA-N -1 3 423.951 4.227 50 0 HIAAHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1ccc(Br)cc1Cl ZINC000025657285 568906419 /nfs/dbraw/zinc/90/64/19/568906419.db2.gz LUWYBAUVVONFSF-UHFFFAOYSA-N -1 3 417.737 4.191 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000004110921 568943901 /nfs/dbraw/zinc/94/39/01/568943901.db2.gz RVEWCUFWWOMOPX-GUDVDZBRSA-N -1 3 410.882 4.453 50 0 HIAAHM O=C(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015702688 568969362 /nfs/dbraw/zinc/96/93/62/568969362.db2.gz PAVWVGSVBSDYKN-UHFFFAOYSA-N -1 3 418.877 4.461 50 0 HIAAHM O=C(Nc1ccc(F)cc1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008195532 568982281 /nfs/dbraw/zinc/98/22/81/568982281.db2.gz NYQQPTMROMMJHT-UHFFFAOYSA-N -1 3 403.410 4.410 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCc2ccccc2C)S1 ZINC000015832980 569012817 /nfs/dbraw/zinc/01/28/17/569012817.db2.gz VZYGYMMDMFNCKO-IBGZPJMESA-N -1 3 417.918 4.228 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c(C)c1 ZINC000015882151 569018994 /nfs/dbraw/zinc/01/89/94/569018994.db2.gz QFLMHODNVGJBAL-UHFFFAOYSA-N -1 3 422.554 4.470 50 0 HIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccc(Cl)cc2Cl)N1 ZINC000006394820 569046540 /nfs/dbraw/zinc/04/65/40/569046540.db2.gz ZPEOPISRYPYFCN-ZDUSSCGKSA-N -1 3 401.237 4.086 50 0 HIAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000136042697 569053660 /nfs/dbraw/zinc/05/36/60/569053660.db2.gz FVYSIYMSOZLWHG-FDFHNCONSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc12 ZINC000006669445 569086221 /nfs/dbraw/zinc/08/62/21/569086221.db2.gz DKSANNMAXYHPDY-UHFFFAOYSA-N -1 3 422.456 4.027 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065020995 569154269 /nfs/dbraw/zinc/15/42/69/569154269.db2.gz UGEOIVPUFUDGST-UHFFFAOYSA-N -1 3 400.544 4.330 50 0 HIAAHM Cc1cc(C)cc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065035001 569158571 /nfs/dbraw/zinc/15/85/71/569158571.db2.gz PYHCJQCAFIKHFS-UHFFFAOYSA-N -1 3 413.880 4.347 50 0 HIAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1cc(F)cc(F)c1 ZINC000065035018 569158597 /nfs/dbraw/zinc/15/85/97/569158597.db2.gz WXWDPBLTPCPBLP-UHFFFAOYSA-N -1 3 421.806 4.008 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CC3CCCC3)c2)cc1 ZINC000007141140 569225560 /nfs/dbraw/zinc/22/55/60/569225560.db2.gz YGFWYAWJHHSUMF-UHFFFAOYSA-N -1 3 402.516 4.323 50 0 HIAAHM COc1ccc([C@H](NCc2nc(C)ccc2[O-])C(F)(F)F)cc1Br ZINC000170606874 569244464 /nfs/dbraw/zinc/24/44/64/569244464.db2.gz JEWAEVFIYCJJGM-HNNXBMFYSA-N -1 3 405.214 4.260 50 0 HIAAHM Cc1ccc(C(=O)NC(=Cc2cccc(Br)c2)c2n[nH]c(=S)[n-]2)cc1 ZINC000013370433 569255318 /nfs/dbraw/zinc/25/53/18/569255318.db2.gz ADRUVRGDVOCTST-GDNBJRDFSA-N -1 3 415.316 4.466 50 0 HIAAHM Cc1cc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000016994021 569270731 /nfs/dbraw/zinc/27/07/31/569270731.db2.gz IMOXGOCXGGOLJB-UHFFFAOYSA-N -1 3 419.510 4.177 50 0 HIAAHM Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c1C ZINC000002717985 569322364 /nfs/dbraw/zinc/32/23/64/569322364.db2.gz ICYURFGQDAVPBA-UHFFFAOYSA-N -1 3 423.473 4.008 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccncc2)cs1 ZINC000008777788 571118050 /nfs/dbraw/zinc/11/80/50/571118050.db2.gz BNWUDYMHVJXSKK-BEFAXECRSA-N -1 3 416.428 4.243 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932438 571162793 /nfs/dbraw/zinc/16/27/93/571162793.db2.gz MSZYFJWLSOPZRX-UHFFFAOYSA-N -1 3 410.445 4.009 50 0 HIAAHM CCc1ccc(OCCSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1 ZINC000009640633 571275625 /nfs/dbraw/zinc/27/56/25/571275625.db2.gz ZUSRESAZQGTUCS-UHFFFAOYSA-N -1 3 406.511 4.127 50 0 HIAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CNCc1ccccc1 ZINC000002940827 845009339 /nfs/dbraw/zinc/00/93/39/845009339.db2.gz XSUUZUDUNDLVQZ-UHFFFAOYSA-N -1 3 417.303 4.113 50 0 HIAAHM CCn1ccnc1CN(C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[n-]2)cc1 ZINC000097272580 852595350 /nfs/dbraw/zinc/59/53/50/852595350.db2.gz GWRZCCNWOQVIST-UHFFFAOYSA-N -1 3 405.424 4.025 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1C ZINC000005099594 132301073 /nfs/dbraw/zinc/30/10/73/132301073.db2.gz OMDDKEQIJWOCNZ-UHFFFAOYSA-N -1 3 410.495 4.290 50 0 HIAAHM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032881988 522433538 /nfs/dbraw/zinc/43/35/38/522433538.db2.gz BWKMAUAFEUGTCE-QGZVFWFLSA-N -1 3 410.514 4.162 50 0 HIAAHM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C3CCCCC3)CC2)c1 ZINC000032946901 524213818 /nfs/dbraw/zinc/21/38/18/524213818.db2.gz WVGXAVNGMJJREV-UHFFFAOYSA-N -1 3 421.541 4.400 50 0 HIAAHM CCOc1ccc(OCc2ccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)cc2)cc1 ZINC000000655710 557040934 /nfs/dbraw/zinc/04/09/34/557040934.db2.gz CLGIORWGVRNLPT-FQEVSTJZSA-N -1 3 422.403 4.137 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 ZINC000001095862 557178173 /nfs/dbraw/zinc/17/81/73/557178173.db2.gz NOWACSASHPEWDE-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccccc2OC)on1 ZINC000004880866 557609496 /nfs/dbraw/zinc/60/94/96/557609496.db2.gz GVWKYEIXWCWAGG-UHFFFAOYSA-N -1 3 400.456 4.458 50 0 HIAAHM O=S(=O)([N-]Cc1csc(-c2cccs2)n1)c1ccc(-c2ccno2)s1 ZINC000012368816 558388798 /nfs/dbraw/zinc/38/87/98/558388798.db2.gz VWTYBXDVGQLOIY-UHFFFAOYSA-N -1 3 409.539 4.067 50 0 HIAAHM COc1ccc2cc(/C=C/C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)ccc2c1 ZINC000013004415 558501476 /nfs/dbraw/zinc/50/14/76/558501476.db2.gz JACOIWHXPUICMP-ONNFQVAWSA-N -1 3 414.458 4.011 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)C=C(C2CC2)NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000013643067 558555895 /nfs/dbraw/zinc/55/58/95/558555895.db2.gz HSKJQZMAAQIBSL-CQSZACIVSA-N -1 3 422.354 4.451 50 0 HIAAHM CN(Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000023909407 558581464 /nfs/dbraw/zinc/58/14/64/558581464.db2.gz SJODBJKDEDHUMW-UHFFFAOYSA-N -1 3 419.506 4.055 50 0 HIAAHM CCSc1nnc([N-]C(=O)c2sc(COc3ccc(F)cc3)nc2C)s1 ZINC000014850753 558674886 /nfs/dbraw/zinc/67/48/86/558674886.db2.gz ZMKBCHQPCCHARR-UHFFFAOYSA-N -1 3 410.521 4.385 50 0 HIAAHM O=C(NCc1ccc(CN2CCc3ccccc32)cc1)c1c[n-]c2ccccc2c1=O ZINC000027590376 558676890 /nfs/dbraw/zinc/67/68/90/558676890.db2.gz WXRMWNXCPMFNNW-UHFFFAOYSA-N -1 3 409.489 4.021 50 0 HIAAHM O=S(=O)([N-]CCCSc1ccc(F)cc1)c1ccc(Br)s1 ZINC000016085034 558771252 /nfs/dbraw/zinc/77/12/52/558771252.db2.gz ZDLYGXAFMMWPBR-UHFFFAOYSA-N -1 3 410.355 4.110 50 0 HIAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)on1 ZINC000016320592 558785913 /nfs/dbraw/zinc/78/59/13/558785913.db2.gz JAMRXHDZWFXMPX-UHFFFAOYSA-N -1 3 414.433 4.486 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1NC(=O)c1ccccc1F ZINC000004742612 559044667 /nfs/dbraw/zinc/04/46/67/559044667.db2.gz JCUROYWDPADRHT-UHFFFAOYSA-N -1 3 414.458 4.196 50 0 HIAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]C2CCCCC2)s1 ZINC000033306499 559051630 /nfs/dbraw/zinc/05/16/30/559051630.db2.gz VNMFDQATDSAFRK-PKNBQFBNSA-N -1 3 423.560 4.174 50 0 HIAAHM CC(=O)C(=C(C)[O-])c1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1 ZINC000101362563 559146677 /nfs/dbraw/zinc/14/66/77/559146677.db2.gz GVGALDFYMFNNNP-UHFFFAOYSA-N -1 3 414.461 4.453 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924717 559153579 /nfs/dbraw/zinc/15/35/79/559153579.db2.gz XOGPKSZIPVZNBU-KZNAEPCWSA-N -1 3 405.281 4.472 50 0 HIAAHM O=c1c2c(-c3ccccc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1 ZINC000100738294 559260844 /nfs/dbraw/zinc/26/08/44/559260844.db2.gz GGKSNMOFUGECAQ-CTNGQTDRSA-N -1 3 401.853 4.123 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000135899739 559276459 /nfs/dbraw/zinc/27/64/59/559276459.db2.gz MADIIHWVTPVBSD-PCCBWWKXSA-N -1 3 406.388 4.016 50 0 HIAAHM COC1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000206765957 560746364 /nfs/dbraw/zinc/74/63/64/560746364.db2.gz DBHGBZJFTSOAME-UHFFFAOYSA-N -1 3 414.449 4.121 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c(C)c1 ZINC000102708460 560820790 /nfs/dbraw/zinc/82/07/90/560820790.db2.gz LKAMQFQKVLEIFI-XPWALMASSA-N -1 3 414.461 4.060 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C([O-])=C2ON1c1ccccc1 ZINC000102723061 560821540 /nfs/dbraw/zinc/82/15/40/560821540.db2.gz PBLBZXKHIMOEEP-KZNAEPCWSA-N -1 3 404.388 4.184 50 0 HIAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@@H]3c3ccc(O)cc3)C2)cc1 ZINC000102737473 560824497 /nfs/dbraw/zinc/82/44/97/560824497.db2.gz HNUQBPFQYXVQQZ-VBKZILBWSA-N -1 3 404.426 4.413 50 0 HIAAHM COC(=O)c1ccc([C@@H]2[N-]c3nonc3N=C3C[C@H](c4ccco4)CC(=O)C32)cc1 ZINC000102737154 560824501 /nfs/dbraw/zinc/82/45/01/560824501.db2.gz HBIAIMRWUCWARS-UGSOOPFHSA-N -1 3 406.398 4.078 50 0 HIAAHM COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4[N-][C@H]3c3ccc(O)cc3)C2)cc1 ZINC000102737470 560824548 /nfs/dbraw/zinc/82/45/48/560824548.db2.gz HNUQBPFQYXVQQZ-XOBRGWDASA-N -1 3 404.426 4.413 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)c1 ZINC000104755546 560854326 /nfs/dbraw/zinc/85/43/26/560854326.db2.gz ADWUUUJQYFCWKJ-OWZDWXTDSA-N -1 3 412.452 4.383 50 0 HIAAHM COc1ccc(OC)c(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)c1 ZINC000046056741 568426123 /nfs/dbraw/zinc/42/61/23/568426123.db2.gz AQYUEAIWVHMMQR-IBGZPJMESA-N -1 3 419.481 4.123 50 0 HIAAHM Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)c1 ZINC000020058515 568586998 /nfs/dbraw/zinc/58/69/98/568586998.db2.gz RTQARWZCOFVKLT-PTSWNOGYSA-N -1 3 412.452 4.383 50 0 HIAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)OCCN2C ZINC000020509734 568620658 /nfs/dbraw/zinc/62/06/58/568620658.db2.gz VCLCWLNHXRVRCT-UHFFFAOYSA-N -1 3 420.840 4.297 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCc2ccccc2Cl)S1 ZINC000020896311 568649167 /nfs/dbraw/zinc/64/91/67/568649167.db2.gz YIRXYLDFRMAFOX-LJQANCHMSA-N -1 3 417.918 4.228 50 0 HIAAHM CSc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096116829 568696142 /nfs/dbraw/zinc/69/61/42/568696142.db2.gz KUEFRHXQSJFVMK-SUMWQHHRSA-N -1 3 419.572 4.215 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2Cl)CCO1 ZINC000096117269 568696627 /nfs/dbraw/zinc/69/66/27/568696627.db2.gz VJZVXRBZCWUIAN-BZNIZROVSA-N -1 3 407.923 4.147 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccccc2Cl)CCO1 ZINC000096117270 568696694 /nfs/dbraw/zinc/69/66/94/568696694.db2.gz VJZVXRBZCWUIAN-ZBEGNZNMSA-N -1 3 407.923 4.147 50 0 HIAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc3ncccc3c2)CCO1 ZINC000096117411 568697049 /nfs/dbraw/zinc/69/70/49/568697049.db2.gz CZSQVMHTZHHEEM-BEFAXECRSA-N -1 3 424.526 4.042 50 0 HIAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1[O-] ZINC000000862356 568718619 /nfs/dbraw/zinc/71/86/19/568718619.db2.gz YGUJUYPNBJSCNX-GOSISDBHSA-N -1 3 422.909 4.290 50 0 HIAAHM COc1ccc(N2C=C[C@@H](c3ccccc3)C(=C([O-])c3ccccc3)S2(=O)=O)cc1 ZINC000096593701 568763462 /nfs/dbraw/zinc/76/34/62/568763462.db2.gz WEJPKYKWWNUQTG-UPVQGACJSA-N -1 3 419.502 4.394 50 0 HIAAHM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])ccc2o1 ZINC000052641955 568773877 /nfs/dbraw/zinc/77/38/77/568773877.db2.gz RKMGFDLWPGCFRW-KRWDZBQOSA-N -1 3 407.470 4.074 50 0 HIAAHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000028294072 568784142 /nfs/dbraw/zinc/78/41/42/568784142.db2.gz BWTCNORFEAKNFI-UHFFFAOYSA-N -1 3 408.785 4.338 50 0 HIAAHM COc1cc2ccccc2cc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000002643317 568794273 /nfs/dbraw/zinc/79/42/73/568794273.db2.gz DBBSWJOQEQHSGL-UHFFFAOYSA-N -1 3 420.490 4.382 50 0 HIAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000056409370 568805799 /nfs/dbraw/zinc/80/57/99/568805799.db2.gz PDMNVSLVDSCZOW-UHFFFAOYSA-N -1 3 407.904 4.087 50 0 HIAAHM Cc1c([O-])ccc2c(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc(=O)oc12 ZINC000057585939 568854508 /nfs/dbraw/zinc/85/45/08/568854508.db2.gz RPRHNNOSXAOCON-LJQANCHMSA-N -1 3 407.466 4.305 50 0 HIAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)CCC2 ZINC000003442276 568859777 /nfs/dbraw/zinc/85/97/77/568859777.db2.gz QFJLORBOKGWOEL-UHFFFAOYSA-N -1 3 414.918 4.257 50 0 HIAAHM Cc1sc2[n-]c(COC(=O)C(c3ccccc3)c3ccccc3)nc(=O)c2c1C ZINC000003303739 568877091 /nfs/dbraw/zinc/87/70/91/568877091.db2.gz BMUXDTDXCHHEDU-UHFFFAOYSA-N -1 3 404.491 4.477 50 0 HIAAHM Cc1nn(-c2ccccc2)c(N)c1[C@@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000003308402 568877531 /nfs/dbraw/zinc/87/75/31/568877531.db2.gz PHGOEDHWDNZREB-GOSISDBHSA-N -1 3 404.417 4.171 50 0 HIAAHM CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[n-]c(N5CCCC5)n4)cc3cc21 ZINC000575473292 569029954 /nfs/dbraw/zinc/02/99/54/569029954.db2.gz TTXCBWWBSMRPPK-UHFFFAOYSA-N -1 3 418.497 4.188 50 0 HIAAHM COc1ccc(N2C(=O)[C@@]3(C)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000239402693 569054312 /nfs/dbraw/zinc/05/43/12/569054312.db2.gz RAYDPGXMQUXRBR-OTNCWRBYSA-N -1 3 414.461 4.136 50 0 HIAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000245328194 569056031 /nfs/dbraw/zinc/05/60/31/569056031.db2.gz TXGUTMNUCUJRAZ-NJDAHSKKSA-N -1 3 419.868 4.095 50 0 HIAAHM CCCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000016678198 569070290 /nfs/dbraw/zinc/07/02/90/569070290.db2.gz FRXMBJCVUVEBEJ-UHFFFAOYSA-N -1 3 422.890 4.078 50 0 HIAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1-c1nccs1 ZINC000006610634 569074166 /nfs/dbraw/zinc/07/41/66/569074166.db2.gz DCMDFBIJMORKIK-UHFFFAOYSA-N -1 3 401.542 4.372 50 0 HIAAHM CCOc1cc(C(=O)CCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)ccc1[O-] ZINC000006657735 569083282 /nfs/dbraw/zinc/08/32/82/569083282.db2.gz JXUIJGDJZBAMIT-JOCHJYFZSA-N -1 3 409.486 4.144 50 0 HIAAHM Cc1cc(C)c(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c(C)c1 ZINC000006746696 569108386 /nfs/dbraw/zinc/10/83/86/569108386.db2.gz BXYDNYDNXGMGMB-UHFFFAOYSA-N -1 3 402.501 4.039 50 0 HIAAHM Cc1ccc(C)c(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065035006 569158667 /nfs/dbraw/zinc/15/86/67/569158667.db2.gz DMMVNAOVJINRCB-UHFFFAOYSA-N -1 3 413.880 4.347 50 0 HIAAHM O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(CCc2nnn[n-]2)cc1 ZINC000524734116 569213218 /nfs/dbraw/zinc/21/32/18/569213218.db2.gz XXNWTONCNQJEIW-FQEVSTJZSA-N -1 3 420.904 4.058 50 0 HIAAHM O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(CCc2nn[n-]n2)cc1 ZINC000524734116 569213219 /nfs/dbraw/zinc/21/32/19/569213219.db2.gz XXNWTONCNQJEIW-FQEVSTJZSA-N -1 3 420.904 4.058 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3sccc3C)c2)cc1 ZINC000007141141 569225530 /nfs/dbraw/zinc/22/55/30/569225530.db2.gz XARPDIJZWHTMGX-UHFFFAOYSA-N -1 3 416.524 4.427 50 0 HIAAHM COc1ccc(Cc2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)o2)cc1 ZINC000036885351 569231513 /nfs/dbraw/zinc/23/15/13/569231513.db2.gz KKCUQRZUFLKYRW-UHFFFAOYSA-N -1 3 410.451 4.082 50 0 HIAAHM CC(C)[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000009870708 569251191 /nfs/dbraw/zinc/25/11/91/569251191.db2.gz IIMOTBCVCLJFNA-OAQYLSRUSA-N -1 3 413.493 4.289 50 0 HIAAHM CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](c2c(Cl)cccc2Cl)CC(=O)N3)CC1 ZINC000585655798 569389782 /nfs/dbraw/zinc/38/97/82/569389782.db2.gz PEFALVRHVHUYSM-LLVKDONJSA-N -1 3 407.301 4.199 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000238900514 571046570 /nfs/dbraw/zinc/04/65/70/571046570.db2.gz JCPFPKCJPGQIBH-VAMGGRTRSA-N -1 3 408.841 4.293 50 0 HIAAHM C[C@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000008488834 571055887 /nfs/dbraw/zinc/05/58/87/571055887.db2.gz CQYNXRNZYZLZQM-PGBBXINNSA-N -1 3 402.589 4.346 50 0 HIAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1Cl ZINC000008774876 571117814 /nfs/dbraw/zinc/11/78/14/571117814.db2.gz WCVHGDDNHWALSZ-LJQANCHMSA-N -1 3 419.934 4.045 50 0 HIAAHM O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)n(-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000008781964 571119220 /nfs/dbraw/zinc/11/92/20/571119220.db2.gz XGWMCLQTCWMMPA-UHFFFAOYSA-N -1 3 410.644 4.151 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840970 571124469 /nfs/dbraw/zinc/12/44/69/571124469.db2.gz DCWRBCWDODRGAJ-UHFFFAOYSA-N -1 3 416.543 4.130 50 0 HIAAHM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000008961108 571189406 /nfs/dbraw/zinc/18/94/06/571189406.db2.gz BGENUJVVRNLNOG-UHFFFAOYSA-N -1 3 412.442 4.399 50 0 HIAAHM Cc1ccc(NC(=O)c2n[nH]c3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000009115675 571224048 /nfs/dbraw/zinc/22/40/48/571224048.db2.gz DBDBQTLZFAGNAR-UHFFFAOYSA-N -1 3 424.457 4.064 50 0 HIAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc2OCC(C)(C)C1=O ZINC000009170740 571233803 /nfs/dbraw/zinc/23/38/03/571233803.db2.gz GACGUPFJSVEJQK-UHFFFAOYSA-N -1 3 416.543 4.382 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000009459197 571260278 /nfs/dbraw/zinc/26/02/78/571260278.db2.gz ZVNFNZGPNULSLH-WXFUMESZSA-N -1 3 421.456 4.286 50 0 HIAAHM Cc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000009510087 571264057 /nfs/dbraw/zinc/26/40/57/571264057.db2.gz LVEMBNPYVMBFDP-UHFFFAOYSA-N -1 3 424.457 4.064 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccc(C)nc4n3)cc2)c(C)c1 ZINC000009572164 571269026 /nfs/dbraw/zinc/26/90/26/571269026.db2.gz KYQYQJCQKUGNHO-UHFFFAOYSA-N -1 3 406.511 4.431 50 0 HIAAHM C[C@]1(c2ccc(Cl)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000009584407 571271129 /nfs/dbraw/zinc/27/11/29/571271129.db2.gz VXKKEASBPBTAJH-QGZVFWFLSA-N -1 3 404.722 4.003 50 0 HIAAHM CCc1cc2c(CN[C@H](c3ccc4c(c3)OCCO4)C(C)C)cc(=O)oc2cc1[O-] ZINC000032759544 523845314 /nfs/dbraw/zinc/84/53/14/523845314.db2.gz LHXXAYYJVVEAFD-DEOSSOPVSA-N -1 3 409.482 4.319 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccc(Cl)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138034 557450293 /nfs/dbraw/zinc/45/02/93/557450293.db2.gz JMBODTVPRCEFMB-QGZVFWFLSA-N -1 3 400.784 4.004 50 0 HIAAHM COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)ccc1OC ZINC000006372383 557700256 /nfs/dbraw/zinc/70/02/56/557700256.db2.gz QKSZMYOWYQWQJW-LJQANCHMSA-N -1 3 417.531 4.024 50 0 HIAAHM COc1ccc(-c2cc(C(=O)Nc3cc(Br)ccc3[O-])no2)cc1OC ZINC000009597852 557846543 /nfs/dbraw/zinc/84/65/43/557846543.db2.gz HZJOPGBFTAUGCC-UHFFFAOYSA-N -1 3 419.231 4.079 50 0 HIAAHM O=c1[n-]nc(SCc2cccc(OCC(F)(F)F)c2)n1CCc1ccccc1 ZINC000059833264 558589222 /nfs/dbraw/zinc/58/92/22/558589222.db2.gz XOITWPXQEVDDTB-UHFFFAOYSA-N -1 3 409.433 4.048 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000013786899 558593599 /nfs/dbraw/zinc/59/35/99/558593599.db2.gz TYJWFNFJWIQGNP-NJDAHSKKSA-N -1 3 406.388 4.016 50 0 HIAAHM O=C(NC1CC1)[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000026474029 558661636 /nfs/dbraw/zinc/66/16/36/558661636.db2.gz GFPUACPENJDRTL-GOSISDBHSA-N -1 3 414.918 4.149 50 0 HIAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccccc3)cc2)s1 ZINC000030008001 558725977 /nfs/dbraw/zinc/72/59/77/558725977.db2.gz RTVDMYJJBFYHIW-OAHLLOKOSA-N -1 3 414.552 4.091 50 0 HIAAHM O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[n-]1 ZINC000033295958 558765459 /nfs/dbraw/zinc/76/54/59/558765459.db2.gz MOVBBVMDHIRCTG-LJQANCHMSA-N -1 3 419.916 4.231 50 0 in-vivo HIAAHM CCOc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[n-]2)cc1 ZINC000016841864 558808313 /nfs/dbraw/zinc/80/83/13/558808313.db2.gz PDMMEIHUOHKXIX-UHFFFAOYSA-N -1 3 420.494 4.048 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C)cc2)cc1 ZINC000017088901 558817639 /nfs/dbraw/zinc/81/76/39/558817639.db2.gz VBYQQCDZMKFZNZ-UHFFFAOYSA-N -1 3 411.483 4.448 50 0 HIAAHM COc1ccc(-c2nc([N-]C(=O)c3ccc(-c4ccccc4F)o3)n[nH]2)c(OC)c1 ZINC000058158247 558903581 /nfs/dbraw/zinc/90/35/81/558903581.db2.gz WIHTUCIMVJUJDC-UHFFFAOYSA-N -1 3 408.389 4.140 50 0 HIAAHM COc1ccccc1CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)NC1CCCCC1 ZINC000004732510 559033275 /nfs/dbraw/zinc/03/32/75/559033275.db2.gz YPLWZLOLZJDOFM-KRWDZBQOSA-N -1 3 423.604 4.367 50 0 HIAAHM COc1ccccc1CN1CCc2nc(SCc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000033287271 559043894 /nfs/dbraw/zinc/04/38/94/559043894.db2.gz CDQZBQGACISPHR-UHFFFAOYSA-N -1 3 411.502 4.181 50 0 HIAAHM CC(C)(C)c1ncc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000050532811 559187288 /nfs/dbraw/zinc/18/72/88/559187288.db2.gz ZNNONEZATOIIRK-UHFFFAOYSA-N -1 3 409.458 4.105 50 0 HIAAHM CCC[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000018066295 560774446 /nfs/dbraw/zinc/77/44/46/560774446.db2.gz OAEOLBCEEPGHDO-NUJGCVRESA-N -1 3 405.281 4.472 50 0 HIAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000102759017 560825946 /nfs/dbraw/zinc/82/59/46/560825946.db2.gz IDJCVRPNKSOUSB-FDFHNCONSA-N -1 3 402.425 4.185 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000102861417 560831973 /nfs/dbraw/zinc/83/19/73/560831973.db2.gz RVEWCUFWWOMOPX-GBESFXJTSA-N -1 3 410.882 4.453 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000001065576 568415370 /nfs/dbraw/zinc/41/53/70/568415370.db2.gz NMOTVXQLTJKARD-UHFFFAOYSA-N -1 3 424.522 4.430 50 0 HIAAHM CC(C)(C)OC1CC(N2CC[C@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000108390298 568418504 /nfs/dbraw/zinc/41/85/04/568418504.db2.gz NYMQBVRQYKCILL-HIEASXQVSA-N -1 3 416.459 4.008 50 0 HIAAHM CC(C)(C)OC1CC(N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)C1 ZINC000108390296 568418585 /nfs/dbraw/zinc/41/85/85/568418585.db2.gz NYMQBVRQYKCILL-FOIPXRHGSA-N -1 3 416.459 4.008 50 0 HIAAHM CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc21 ZINC000020509650 568620649 /nfs/dbraw/zinc/62/06/49/568620649.db2.gz XAQVDJMOCMMPLV-OAHLLOKOSA-N -1 3 404.557 4.260 50 0 HIAAHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@@H](c1nccc(C)n1)C1CC1 ZINC000095465281 568623209 /nfs/dbraw/zinc/62/32/09/568623209.db2.gz JVEHNJOLSKTNGM-MRXNPFEDSA-N -1 3 407.948 4.391 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc3ncccc3c2)CCO1 ZINC000096117414 568696944 /nfs/dbraw/zinc/69/69/44/568696944.db2.gz CZSQVMHTZHHEEM-HNAYVOBHSA-N -1 3 424.526 4.042 50 0 HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c(OC)c1 ZINC000096323624 568732178 /nfs/dbraw/zinc/73/21/78/568732178.db2.gz UWPHODQHTATUHR-UHFFFAOYSA-N -1 3 414.892 4.183 50 0 HIAAHM O=S(=O)([N-]c1ccc(-n2cc(Br)cn2)cc1)c1ccc(Cl)cc1 ZINC000027918117 568772265 /nfs/dbraw/zinc/77/22/65/568772265.db2.gz DSFYPTZOFPODTE-UHFFFAOYSA-N -1 3 412.696 4.089 50 0 HIAAHM Cc1nnc([N-]C(=O)c2cc(Cl)cc(Cl)c2I)s1 ZINC000002652253 568796665 /nfs/dbraw/zinc/79/66/65/568796665.db2.gz DJTRHOCBBDETLQ-UHFFFAOYSA-N -1 3 414.055 4.010 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCCCC3)c2)cc1 ZINC000012536019 568845460 /nfs/dbraw/zinc/84/54/60/568845460.db2.gz FXNPAAQCFOQFNH-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccoc3C)ccc2C)cc1 ZINC000012544804 568850080 /nfs/dbraw/zinc/85/00/80/568850080.db2.gz BUMMOPXEYPCRDS-UHFFFAOYSA-N -1 3 414.483 4.348 50 0 HIAAHM Cc1c([O-])ccc2c(CN(C)CCOc3ccc(Br)cc3)cc(=O)oc12 ZINC000057554327 568853571 /nfs/dbraw/zinc/85/35/71/568853571.db2.gz WLPPXEDAVAMBKG-UHFFFAOYSA-N -1 3 418.287 4.080 50 0 HIAAHM CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000012556375 568855613 /nfs/dbraw/zinc/85/56/13/568855613.db2.gz LVUPKFCTUZEZCJ-VBKZILBWSA-N -1 3 402.878 4.190 50 0 HIAAHM CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000030011847 568856131 /nfs/dbraw/zinc/85/61/31/568856131.db2.gz JESZFAWXMZYSKP-UHFFFAOYSA-N -1 3 412.486 4.289 50 0 HIAAHM COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)cc(Br)c1[O-] ZINC000003647443 568866195 /nfs/dbraw/zinc/86/61/95/568866195.db2.gz FVJBGCNKGRQIOZ-PWJLMRLQSA-N -1 3 423.332 4.204 50 0 HIAAHM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccccn1 ZINC000012633959 568883438 /nfs/dbraw/zinc/88/34/38/568883438.db2.gz DNPMHQOQKYZBGM-AWEZNQCLSA-N -1 3 415.902 4.027 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1 ZINC000031722905 568929915 /nfs/dbraw/zinc/92/99/15/568929915.db2.gz XZYKNWUNHUCNBL-UHFFFAOYSA-N -1 3 407.557 4.129 50 0 HIAAHM Cc1cc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c(C(C)C)cc1Cl ZINC000012747432 568933622 /nfs/dbraw/zinc/93/36/22/568933622.db2.gz MZWUAWRJMDXIAD-UHFFFAOYSA-N -1 3 419.934 4.107 50 0 HIAAHM Cc1sc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)nc1-c1ccc(Cl)cc1 ZINC000012763995 568947289 /nfs/dbraw/zinc/94/72/89/568947289.db2.gz CVQRHPSKKTUKMK-UHFFFAOYSA-N -1 3 402.907 4.043 50 0 HIAAHM O=C(Nc1cccc2c1C(=O)[N-]C2=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000004275476 568957984 /nfs/dbraw/zinc/95/79/84/568957984.db2.gz YYCMXIBUXGNWMC-UHFFFAOYSA-N -1 3 405.460 4.161 50 0 HIAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000008230747 568983897 /nfs/dbraw/zinc/98/38/97/568983897.db2.gz MMPGWXUOLWJIAE-VIFPVBQESA-N -1 3 409.334 4.415 50 0 HIAAHM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2)cc1 ZINC000008378532 568996044 /nfs/dbraw/zinc/99/60/44/568996044.db2.gz WMXMJMSLKFJWHI-UHFFFAOYSA-N -1 3 410.495 4.086 50 0 HIAAHM COc1cc(C)ccc1OCCSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000015832851 569012666 /nfs/dbraw/zinc/01/26/66/569012666.db2.gz PVDSCKZNRSZAGP-UHFFFAOYSA-N -1 3 424.569 4.156 50 0 HIAAHM COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3[O-])CC2)c2ccccc12 ZINC000012942813 569028724 /nfs/dbraw/zinc/02/87/24/569028724.db2.gz KLFFOPXKNACZTN-UHFFFAOYSA-N -1 3 418.493 4.353 50 0 HIAAHM CCCN1CCCc2cc(CC[N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000035588176 569046185 /nfs/dbraw/zinc/04/61/85/569046185.db2.gz SEJCXDHAZRSNQI-UHFFFAOYSA-N -1 3 422.978 4.032 50 0 HIAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000136164429 569053626 /nfs/dbraw/zinc/05/36/26/569053626.db2.gz BGMVTEUMGWDEOV-ACIOBRDBSA-N -1 3 416.452 4.494 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C)cc2)cc1 ZINC000238950479 569053910 /nfs/dbraw/zinc/05/39/10/569053910.db2.gz YIUVGXMAJGCVAH-XPWALMASSA-N -1 3 414.461 4.055 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)cc1 ZINC000245327738 569055991 /nfs/dbraw/zinc/05/59/91/569055991.db2.gz PVHNACHDIDKRKZ-BHIFYINESA-N -1 3 408.498 4.200 50 0 HIAAHM CCSc1nnc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)s1 ZINC000006652511 569081816 /nfs/dbraw/zinc/08/18/16/569081816.db2.gz LTRJNPSDUYNGRS-UHFFFAOYSA-N -1 3 408.512 4.150 50 0 HIAAHM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000064952132 569132600 /nfs/dbraw/zinc/13/26/00/569132600.db2.gz WXULAMBIHQIWBV-UHFFFAOYSA-N -1 3 414.911 4.129 50 0 HIAAHM CC(=O)N1CCCSc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)cc21 ZINC000064952059 569132578 /nfs/dbraw/zinc/13/25/78/569132578.db2.gz TTZLZIGFNYSXKH-UHFFFAOYSA-N -1 3 410.948 4.298 50 0 HIAAHM CCCn1cc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccnc21 ZINC000065163230 569188368 /nfs/dbraw/zinc/18/83/68/569188368.db2.gz AIQJQBASYGKASF-UHFFFAOYSA-N -1 3 412.342 4.274 50 0 HIAAHM O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(CCc2nnn[n-]2)cc1 ZINC000524734117 569213255 /nfs/dbraw/zinc/21/32/55/569213255.db2.gz XXNWTONCNQJEIW-HXUWFJFHSA-N -1 3 420.904 4.058 50 0 HIAAHM O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ccc(CCc2nn[n-]n2)cc1 ZINC000524734117 569213256 /nfs/dbraw/zinc/21/32/56/569213256.db2.gz XXNWTONCNQJEIW-HXUWFJFHSA-N -1 3 420.904 4.058 50 0 HIAAHM COc1cc2c(cc1OC)[C@@H](NC(=O)c1c[n-]c3c(cccc3C(C)C)c1=O)CC2 ZINC000524734512 569213700 /nfs/dbraw/zinc/21/37/00/569213700.db2.gz LXTLPGYGINZRQU-IBGZPJMESA-N -1 3 406.482 4.086 50 0 HIAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnc(C5CC5)n4C)nc(=O)c23)s1 ZINC000007286819 569231985 /nfs/dbraw/zinc/23/19/85/569231985.db2.gz NIGMUGRGCWGMGV-UHFFFAOYSA-N -1 3 415.569 4.320 50 0 HIAAHM COc1ccc(Cl)cc1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1cccs1 ZINC000007348173 569234688 /nfs/dbraw/zinc/23/46/88/569234688.db2.gz NFLVRUNQNUOOLN-UHFFFAOYSA-N -1 3 411.870 4.171 50 0 aggregator HIAAHM O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[n-]1 ZINC000003819930 569254833 /nfs/dbraw/zinc/25/48/33/569254833.db2.gz MOVBBVMDHIRCTG-IBGZPJMESA-N -1 3 419.916 4.231 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000016954568 569268545 /nfs/dbraw/zinc/26/85/45/569268545.db2.gz JOXWTQITNGJIMW-UHFFFAOYSA-N -1 3 422.506 4.089 50 0 HIAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000017013940 569271743 /nfs/dbraw/zinc/27/17/43/569271743.db2.gz BSJIVVPERBKJPW-UHFFFAOYSA-N -1 3 423.542 4.320 50 0 HIAAHM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(NCc2ccccc2Cl)nc1 ZINC000078903541 569421548 /nfs/dbraw/zinc/42/15/48/569421548.db2.gz JKTCNSKTUASJIA-UHFFFAOYSA-N -1 3 409.845 4.426 50 0 HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(OC)c1 ZINC000008600841 571089936 /nfs/dbraw/zinc/08/99/36/571089936.db2.gz ZRNRCHOPGOSYBI-UHFFFAOYSA-N -1 3 408.863 4.121 50 0 HIAAHM [O-][C@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccncc2)cs1 ZINC000008777790 571118140 /nfs/dbraw/zinc/11/81/40/571118140.db2.gz BNWUDYMHVJXSKK-KXBFYZLASA-N -1 3 416.428 4.243 50 0 HIAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2Cl)n1 ZINC000039383743 571131675 /nfs/dbraw/zinc/13/16/75/571131675.db2.gz IDBJIKUIBGBPMI-UHFFFAOYSA-N -1 3 417.300 4.186 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccccc3)c2)cc1 ZINC000009338350 571249531 /nfs/dbraw/zinc/24/95/31/571249531.db2.gz HLCBXEMDKMFJFL-UHFFFAOYSA-N -1 3 408.523 4.376 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000009424249 571257649 /nfs/dbraw/zinc/25/76/49/571257649.db2.gz XAMWYDMNVIRRQK-WXFUMESZSA-N -1 3 421.456 4.286 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000009456526 571260269 /nfs/dbraw/zinc/26/02/69/571260269.db2.gz GUSRRSRXMWIWQD-WXFUMESZSA-N -1 3 421.456 4.286 50 0 HIAAHM CS(=O)(=O)c1ccccc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000009712652 571281228 /nfs/dbraw/zinc/28/12/28/571281228.db2.gz MTASNFSUNKKKKJ-UHFFFAOYSA-N -1 3 424.503 4.325 50 0 HIAAHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000009712755 571281348 /nfs/dbraw/zinc/28/13/48/571281348.db2.gz OCAIWXDOTHCHCE-UHFFFAOYSA-N -1 3 424.503 4.325 50 0 HIAAHM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2C1=O ZINC000009827890 571286607 /nfs/dbraw/zinc/28/66/07/571286607.db2.gz OJPLPWYBGLGIHG-UHFFFAOYSA-N -1 3 412.442 4.150 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1C ZINC000009827898 571286665 /nfs/dbraw/zinc/28/66/65/571286665.db2.gz SHGKKJZCRINRGO-UHFFFAOYSA-N -1 3 410.451 4.162 50 0 HIAAHM COc1cc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1OCc1ccccc1 ZINC000009987440 571293728 /nfs/dbraw/zinc/29/37/28/571293728.db2.gz UPFKQCXZXKWAFI-UHFFFAOYSA-N -1 3 414.461 4.046 50 0 HIAAHM CCn1c(SCc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)nnc1C1CC1 ZINC000010109584 571295199 /nfs/dbraw/zinc/29/51/99/571295199.db2.gz XQTMCHYDHPNOQF-UHFFFAOYSA-N -1 3 409.540 4.433 50 0 HIAAHM O=S(=O)([N-]C1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)c(F)c1 ZINC000077197415 571312614 /nfs/dbraw/zinc/31/26/14/571312614.db2.gz BBUTZGOSUNOEBF-UHFFFAOYSA-N -1 3 419.453 4.153 50 0 HIAAHM O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc([O-])c(Br)c1 ZINC000012798022 845890497 /nfs/dbraw/zinc/89/04/97/845890497.db2.gz SXBMUWMYZYZBNC-YRNVUSSQSA-N -1 3 403.663 4.462 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)c(C)c1 ZINC000005136574 132302752 /nfs/dbraw/zinc/30/27/52/132302752.db2.gz HALWCZUIQXUFSC-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM COc1cc(/C=C2/c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1[O-] ZINC000007167772 132322724 /nfs/dbraw/zinc/32/27/24/132322724.db2.gz RTWBZEXJMFPKOZ-NDENLUEZSA-N -1 3 415.445 4.445 50 0 HIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4cccc5ccccc54)s3)nc2n1 ZINC000031040749 524568866 /nfs/dbraw/zinc/56/88/66/524568866.db2.gz VHDCWBQMWJSZHT-UHFFFAOYSA-N -1 3 414.494 4.194 50 0 HIAAHM Cc1ccc(NC(=O)COc2cccc(CNCc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000040739121 525071156 /nfs/dbraw/zinc/07/11/56/525071156.db2.gz PBMIUXSSVODEDC-UHFFFAOYSA-N -1 3 404.466 4.001 50 0 HIAAHM COc1cccc(-c2nc(C)c(C(=O)[N-]c3nnc([C@H]4CCCO4)s3)s2)c1 ZINC000044922215 525722819 /nfs/dbraw/zinc/72/28/19/525722819.db2.gz OCJURZJMJDEYPO-CYBMUJFWSA-N -1 3 402.501 4.082 50 0 HIAAHM O=S(=O)([N-][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1F ZINC000032936889 527240809 /nfs/dbraw/zinc/24/08/09/527240809.db2.gz LUHJDSADWSBCFR-LJQANCHMSA-N -1 3 413.449 4.034 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000845865 557099522 /nfs/dbraw/zinc/09/95/22/557099522.db2.gz YCQQYSNWXPLUGA-WFASDCNBSA-N -1 3 405.214 4.092 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000845866 557099610 /nfs/dbraw/zinc/09/96/10/557099610.db2.gz YCQQYSNWXPLUGA-DOMZBBRYSA-N -1 3 405.214 4.092 50 0 HIAAHM COc1ccc([N-]C(NC(=O)c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000001044156 557155210 /nfs/dbraw/zinc/15/52/10/557155210.db2.gz UTOSSZZEDKJSDS-UHFFFAOYSA-N -1 3 422.325 4.367 50 0 HIAAHM CCOC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2)cc(C(=O)OCC)c1 ZINC000001056445 557161907 /nfs/dbraw/zinc/16/19/07/557161907.db2.gz GMCFOCTURQHCSX-UHFFFAOYSA-N -1 3 422.437 4.256 50 0 HIAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NCc1cccnc1 ZINC000001123055 557192756 /nfs/dbraw/zinc/19/27/56/557192756.db2.gz WBAMICYFQVJDFA-SFHVURJKSA-N -1 3 411.299 4.388 50 0 HIAAHM COc1ccc(N2C=C[C@H](c3ccccc3)C(=C([O-])c3ccccc3)S2(=O)=O)cc1 ZINC000008438827 557789369 /nfs/dbraw/zinc/78/93/69/557789369.db2.gz WEJPKYKWWNUQTG-VWNXMTODSA-N -1 3 419.502 4.394 50 0 HIAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000013055885 558508436 /nfs/dbraw/zinc/50/84/36/558508436.db2.gz JSKZDAXXEGXALX-GFCCVEGCSA-N -1 3 419.934 4.316 50 0 HIAAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2)c1ccco1 ZINC000013121901 558517539 /nfs/dbraw/zinc/51/75/39/558517539.db2.gz ADNZEQOQYMAIQJ-ZWKOTPCHSA-N -1 3 403.417 4.409 50 0 HIAAHM Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4F)c3)ccc2[nH]1 ZINC000010896941 558544822 /nfs/dbraw/zinc/54/48/22/558544822.db2.gz GPGNBNSSKSMYHB-UHFFFAOYSA-N -1 3 424.457 4.064 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013660769 558559708 /nfs/dbraw/zinc/55/97/08/558559708.db2.gz AKDBBUXGUHMDLV-NJDAHSKKSA-N -1 3 420.852 4.097 50 0 HIAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000014066243 558616604 /nfs/dbraw/zinc/61/66/04/558616604.db2.gz KPCRMKLZUJYJNG-OAHLLOKOSA-N -1 3 412.584 4.495 50 0 HIAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4cccc(C(F)(F)F)c4)cs3)nc2n1 ZINC000029013103 558708541 /nfs/dbraw/zinc/70/85/41/558708541.db2.gz CQYVEMKLCXBWSB-UHFFFAOYSA-N -1 3 418.404 4.136 50 0 HIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274580 558764315 /nfs/dbraw/zinc/76/43/15/558764315.db2.gz FOFGVAFPAOXJGV-UHFFFAOYSA-N -1 3 412.555 4.140 50 0 HIAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc(OC)c1O ZINC000071282730 558765169 /nfs/dbraw/zinc/76/51/69/558765169.db2.gz NPCORIBSXXMBAL-OAHLLOKOSA-N -1 3 415.490 4.308 50 0 HIAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000018219581 558833953 /nfs/dbraw/zinc/83/39/53/558833953.db2.gz QVJIXOKYYJIKOV-UHFFFAOYSA-N -1 3 424.548 4.145 50 0 HIAAHM O=C(c1ccccc1[O-])N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067982817 558862518 /nfs/dbraw/zinc/86/25/18/558862518.db2.gz DVBODKRVRMFOAD-UHFFFAOYSA-N -1 3 418.474 4.409 50 0 HIAAHM COc1cc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000067842526 558993717 /nfs/dbraw/zinc/99/37/17/558993717.db2.gz PHYWUKHKWXYEFT-UHFFFAOYSA-N -1 3 405.922 4.098 50 0 HIAAHM COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)NC1CCCCC1 ZINC000004732512 559033269 /nfs/dbraw/zinc/03/32/69/559033269.db2.gz YPLWZLOLZJDOFM-QGZVFWFLSA-N -1 3 423.604 4.367 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1NC(C)=O ZINC000004813770 559075412 /nfs/dbraw/zinc/07/54/12/559075412.db2.gz XFIBPAUOZVPQST-UHFFFAOYSA-N -1 3 403.287 4.151 50 0 HIAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000100706149 559138098 /nfs/dbraw/zinc/13/80/98/559138098.db2.gz ZPZGLGQNLNPWBX-QHAWAJNXSA-N -1 3 420.490 4.198 50 0 HIAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc3c2N1CCC3 ZINC000005154212 559253495 /nfs/dbraw/zinc/25/34/95/559253495.db2.gz BQSWIZRIFDIEDO-UHFFFAOYSA-N -1 3 411.310 4.020 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)C=C(c2ccccn2)NN1c1nc(-c2ccc(F)cc2)cs1 ZINC000005242822 560549835 /nfs/dbraw/zinc/54/98/35/560549835.db2.gz HCAYPSYEUDIIHK-QGZVFWFLSA-N -1 3 408.380 4.210 50 0 HIAAHM O=C(COC(=O)c1ccc([N-]S(=O)(=O)C=Cc2ccccc2)cc1)c1ccccc1 ZINC000006343450 560556330 /nfs/dbraw/zinc/55/63/30/560556330.db2.gz ZCQFSNYFYPSMKD-FOCLMDBBSA-N -1 3 421.474 4.139 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NC3CCCCC3)c2)cc1 ZINC000005557795 560614162 /nfs/dbraw/zinc/61/41/62/560614162.db2.gz FCJXUCNLYBVYPN-UHFFFAOYSA-N -1 3 417.531 4.259 50 0 HIAAHM CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(OCCC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101048656 560767365 /nfs/dbraw/zinc/76/73/65/560767365.db2.gz HTHMRCIAPOXXJW-FSSWDIPSSA-N -1 3 408.498 4.344 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1C ZINC000102707111 560820586 /nfs/dbraw/zinc/82/05/86/560820586.db2.gz QVIBHYIQLLOPTC-XPWALMASSA-N -1 3 414.461 4.060 50 0 HIAAHM CCc1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1 ZINC000006496933 560875014 /nfs/dbraw/zinc/87/50/14/560875014.db2.gz QNFXBSXQGFMSPX-UHFFFAOYSA-N -1 3 402.907 4.330 50 0 HIAAHM O=S(=O)([N-]c1ccc(Cl)cc1F)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914332 560879131 /nfs/dbraw/zinc/87/91/31/560879131.db2.gz ITPYSFQSJSXTKK-UHFFFAOYSA-N -1 3 418.837 4.325 50 0 HIAAHM O=c1oc2ccccc2c(NCc2ccccc2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000045962178 568422951 /nfs/dbraw/zinc/42/29/51/568422951.db2.gz VYBTZBLPKYBKBV-UHFFFAOYSA-N -1 3 424.453 4.345 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(-c3nc(C(C)C)no3)c2)cc1 ZINC000046020302 568423971 /nfs/dbraw/zinc/42/39/71/568423971.db2.gz MTNBMVBPVUVQBS-UHFFFAOYSA-N -1 3 401.488 4.232 50 0 HIAAHM CCCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c(=O)c2C1 ZINC000020467813 568610661 /nfs/dbraw/zinc/61/06/61/568610661.db2.gz WZLKIJDWXQDSEL-UHFFFAOYSA-N -1 3 420.966 4.033 50 0 HIAAHM COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095479035 568632142 /nfs/dbraw/zinc/63/21/42/568632142.db2.gz KWKZSZSDEVRRJU-CYBMUJFWSA-N -1 3 404.415 4.065 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCc2ccc(C)cc2)S1 ZINC000020896184 568649077 /nfs/dbraw/zinc/64/90/77/568649077.db2.gz PVJPSBZYXLVUGR-LJQANCHMSA-N -1 3 417.918 4.228 50 0 HIAAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000021357402 568688371 /nfs/dbraw/zinc/68/83/71/568688371.db2.gz JKWXHJIJMOWWBF-UHFFFAOYSA-N -1 3 405.523 4.468 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cc3ccccc3[nH]c2=O)S1 ZINC000096116833 568696056 /nfs/dbraw/zinc/69/60/56/568696056.db2.gz AHURCWULXLONKY-KSSFIOAISA-N -1 3 424.526 4.034 50 0 HIAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cc3ccccc3[nH]c2=O)S1 ZINC000096116834 568696280 /nfs/dbraw/zinc/69/62/80/568696280.db2.gz AHURCWULXLONKY-RDTXWAMCSA-N -1 3 424.526 4.034 50 0 HIAAHM O=C(c1ccco1)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000096119822 568699060 /nfs/dbraw/zinc/69/90/60/568699060.db2.gz SWTACNAFRDJJGO-UHFFFAOYSA-N -1 3 416.307 4.357 50 0 HIAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccco3)c(O)c2)cc1[O-])c1ccco1 ZINC000000890290 568740871 /nfs/dbraw/zinc/74/08/71/568740871.db2.gz SVOATIRQYCUKPF-UHFFFAOYSA-N -1 3 418.405 4.379 50 0 HIAAHM Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O ZINC000001008707 568762045 /nfs/dbraw/zinc/76/20/45/568762045.db2.gz QGLAAVZDRUSJNL-SXGWCWSVSA-N -1 3 416.886 4.337 50 0 HIAAHM Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccco3)c2)c1C ZINC000002624930 568788882 /nfs/dbraw/zinc/78/88/82/568788882.db2.gz MXJNAABOPWHTNY-UHFFFAOYSA-N -1 3 418.902 4.281 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000002631455 568791026 /nfs/dbraw/zinc/79/10/26/568791026.db2.gz WYRWTUVNSAPBMP-UHFFFAOYSA-N -1 3 416.524 4.129 50 0 HIAAHM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000005950417 568831716 /nfs/dbraw/zinc/83/17/16/568831716.db2.gz AIXUARMFZIKAPO-UHFFFAOYSA-N -1 3 408.401 4.372 50 0 HIAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000012525136 568842689 /nfs/dbraw/zinc/84/26/89/568842689.db2.gz WFFMTAIBRCLOBC-UHFFFAOYSA-N -1 3 417.840 4.077 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ncnc4sccc43)cc2)cc1 ZINC000003351694 568885851 /nfs/dbraw/zinc/88/58/51/568885851.db2.gz MCZFPMWLHPROFZ-UHFFFAOYSA-N -1 3 413.480 4.293 50 0 HIAAHM COc1cccc(NC(=O)c2nnsc2[N-]C(=O)Nc2ccc(Cl)cc2)c1 ZINC000001417138 568934620 /nfs/dbraw/zinc/93/46/20/568934620.db2.gz GXKNUWNJUFTTDN-UHFFFAOYSA-N -1 3 403.851 4.096 50 0 HIAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000008428502 569002450 /nfs/dbraw/zinc/00/24/50/569002450.db2.gz ZUTHVMPQUUCRLL-AWEZNQCLSA-N -1 3 402.545 4.106 50 0 HIAAHM COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccccc2C)ccc1O ZINC000005490945 569018664 /nfs/dbraw/zinc/01/86/64/569018664.db2.gz QBUZAJFRPWOXQK-JOCHJYFZSA-N -1 3 415.445 4.492 50 0 HIAAHM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2C)ccc1O ZINC000005490945 569018665 /nfs/dbraw/zinc/01/86/65/569018665.db2.gz QBUZAJFRPWOXQK-JOCHJYFZSA-N -1 3 415.445 4.492 50 0 HIAAHM O=c1[n-]nc(SCc2coc(-c3ccc(Cl)cc3)n2)n1CCc1ccccc1 ZINC000012904324 569021065 /nfs/dbraw/zinc/02/10/65/569021065.db2.gz NFANQWDLQBSIBD-UHFFFAOYSA-N -1 3 412.902 4.415 50 0 HIAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1nnc(-c2ccccc2)o1 ZINC000012906224 569021240 /nfs/dbraw/zinc/02/12/40/569021240.db2.gz ASPUQTYDUSHZGM-ZDUSSCGKSA-N -1 3 416.466 4.424 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 ZINC000012998382 569048867 /nfs/dbraw/zinc/04/88/67/569048867.db2.gz VGHXFLZOXXGQHN-UHFFFAOYSA-N -1 3 418.469 4.059 50 0 HIAAHM O=c1nc(N2CCN(Cc3ccccc3)CC2)[n-]c2c(-c3cccc(F)c3)csc21 ZINC000064611592 569074450 /nfs/dbraw/zinc/07/44/50/569074450.db2.gz GYNNZMIUBURUCG-UHFFFAOYSA-N -1 3 420.513 4.113 50 0 HIAAHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nc(N2CCCCC2)n1 ZINC000064801864 569097953 /nfs/dbraw/zinc/09/79/53/569097953.db2.gz OKTPFHJNLAVAOH-UHFFFAOYSA-N -1 3 423.542 4.320 50 0 HIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 ZINC000064862324 569110463 /nfs/dbraw/zinc/11/04/63/569110463.db2.gz WOLVFRKWXLGKJD-UHFFFAOYSA-N -1 3 413.543 4.201 50 0 HIAAHM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000065116387 569179773 /nfs/dbraw/zinc/17/97/73/569179773.db2.gz FXYXVJVLGYNKGT-UHFFFAOYSA-N -1 3 413.499 4.280 50 0 HIAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(CC)c2ncccc2O3)cc1 ZINC000065241585 569201739 /nfs/dbraw/zinc/20/17/39/569201739.db2.gz VGQLWYSRIAVLKA-UHFFFAOYSA-N -1 3 423.494 4.217 50 0 HIAAHM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OC(F)(F)F)cc1 ZINC000007055698 569214482 /nfs/dbraw/zinc/21/44/82/569214482.db2.gz QRLYBDYXTNNQDE-UHFFFAOYSA-N -1 3 415.389 4.428 50 0 HIAAHM CC(=O)N1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@@H](c1ccc(F)cc1)N2 ZINC000065298531 569219410 /nfs/dbraw/zinc/21/94/10/569219410.db2.gz OKYVQSZRSXKKNB-IBGZPJMESA-N -1 3 415.896 4.047 50 0 HIAAHM O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000089814393 569266430 /nfs/dbraw/zinc/26/64/30/569266430.db2.gz YZWWMKGYBQURNG-UHFFFAOYSA-N -1 3 418.877 4.210 50 0 HIAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000017053127 569272595 /nfs/dbraw/zinc/27/25/95/569272595.db2.gz CRWKKVHRWPSWOR-UHFFFAOYSA-N -1 3 411.531 4.012 50 0 HIAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n[n-]1 ZINC000008720896 571106986 /nfs/dbraw/zinc/10/69/86/571106986.db2.gz ZDSYZCMDVAKXHG-UHFFFAOYSA-N -1 3 423.542 4.023 50 0 HIAAHM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(=O)n(-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000008781965 571119243 /nfs/dbraw/zinc/11/92/43/571119243.db2.gz DUEFXLOYYGIIIY-UHFFFAOYSA-N -1 3 410.644 4.151 50 0 HIAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(Nc2ccc(Cl)cc2)n1 ZINC000039383666 571131621 /nfs/dbraw/zinc/13/16/21/571131621.db2.gz ZBPZHOQPSAVVHI-UHFFFAOYSA-N -1 3 410.909 4.169 50 0 HIAAHM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C1=O ZINC000008961116 571189393 /nfs/dbraw/zinc/18/93/93/571189393.db2.gz ORGLBJQZEQXOGA-UHFFFAOYSA-N -1 3 424.478 4.268 50 0 HIAAHM CCN1c2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170520 571233661 /nfs/dbraw/zinc/23/36/61/571233661.db2.gz FHROBVJPVVUENO-UHFFFAOYSA-N -1 3 416.543 4.184 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccccc3)ccc2C)cc1 ZINC000009285209 571245123 /nfs/dbraw/zinc/24/51/23/571245123.db2.gz BVNBPPQPARGELD-UHFFFAOYSA-N -1 3 424.522 4.376 50 0 HIAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000009491490 571262772 /nfs/dbraw/zinc/26/27/72/571262772.db2.gz NFKAFGAHJLEYKY-UHFFFAOYSA-N -1 3 414.174 4.288 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000009827887 571286643 /nfs/dbraw/zinc/28/66/43/571286643.db2.gz QCFMJRHJGPZKOA-UHFFFAOYSA-N -1 3 424.478 4.268 50 0 HIAAHM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c([O-])c1 ZINC000010123592 571295288 /nfs/dbraw/zinc/29/52/88/571295288.db2.gz ZXXUFIJKSBWYQC-UHFFFAOYSA-N -1 3 406.404 4.210 50 0 HIAAHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)C1(C)C ZINC000078515219 571313447 /nfs/dbraw/zinc/31/34/47/571313447.db2.gz TWJOHARRWGORHV-DOMZBBRYSA-N -1 3 404.454 4.254 50 0 HIAAHM COC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc([O-])cc2OC)C1=O ZINC000036257290 571317452 /nfs/dbraw/zinc/31/74/52/571317452.db2.gz ZALXANGDHWWHRF-LZYBPNLTSA-N -1 3 417.870 4.208 50 0 HIAAHM O=c1[n-]c(C=Cc2cnn(Cc3ccccc3)c2)nc2c1CCN(Cc1ccccc1)C2 ZINC000098055774 852652321 /nfs/dbraw/zinc/65/23/21/852652321.db2.gz DLVXWDZIGMQEBE-QXMHVHEDSA-N -1 3 423.520 4.156 50 0 HIAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012324751 132358710 /nfs/dbraw/zinc/35/87/10/132358710.db2.gz DREGVAYSHUNCTR-LJQANCHMSA-N -1 3 403.404 4.135 50 0 HIAAHM CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc21 ZINC000032943908 519635843 /nfs/dbraw/zinc/63/58/43/519635843.db2.gz KGMPOHPYTRHGAK-JTQLQIEISA-N -1 3 414.911 4.127 50 0 HIAAHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C ZINC000032831051 524051526 /nfs/dbraw/zinc/05/15/26/524051526.db2.gz PXWDFPKIVUVGGK-UHFFFAOYSA-N -1 3 403.472 4.136 50 0 HIAAHM COc1ccc(Cc2nnc([N-]C(=O)c3csc(NC4CCCC4)n3)s2)cc1 ZINC000044890075 524168149 /nfs/dbraw/zinc/16/81/49/524168149.db2.gz XBOVFPUHKQPROW-UHFFFAOYSA-N -1 3 415.544 4.201 50 0 HIAAHM Cc1[nH]nc(-c2ccc(OCCN3C[C@H](C)O[C@@H](C)C3)cc2[O-])c1-c1ccccc1 ZINC000020589436 525463192 /nfs/dbraw/zinc/46/31/92/525463192.db2.gz WKGNEVKIGSGPKY-IRXDYDNUSA-N -1 3 407.514 4.246 50 0 HIAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(=O)[n-]1 ZINC000032841485 526709538 /nfs/dbraw/zinc/70/95/38/526709538.db2.gz HLLGVMDDEBRUSR-UHFFFAOYSA-N -1 3 404.495 4.235 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000000778749 557077962 /nfs/dbraw/zinc/07/79/62/557077962.db2.gz CLDSOTXNBDWFOM-UHFFFAOYSA-N -1 3 402.497 4.200 50 0 HIAAHM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000001100399 557178874 /nfs/dbraw/zinc/17/88/74/557178874.db2.gz YFAHPDUNWMYLTF-UHFFFAOYSA-N -1 3 413.451 4.060 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000001154828 557213139 /nfs/dbraw/zinc/21/31/39/557213139.db2.gz RBWSPEAWEFDDRT-UHFFFAOYSA-N -1 3 416.886 4.402 50 0 HIAAHM Cc1cc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4[O-])cc3C2=O)c(C)c1 ZINC000001177558 557228458 /nfs/dbraw/zinc/22/84/58/557228458.db2.gz BGGILFNHZDUPGN-UHFFFAOYSA-N -1 3 400.434 4.370 50 0 HIAAHM COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(Br)ccc3[O-])noc1-2 ZINC000002466040 557350857 /nfs/dbraw/zinc/35/08/57/557350857.db2.gz FJEGUKSOXRALSF-UHFFFAOYSA-N -1 3 415.243 4.169 50 0 HIAAHM COc1ccccc1[C@H]1c2ccc([O-])cc2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000005345047 557645815 /nfs/dbraw/zinc/64/58/15/557645815.db2.gz IUNHITWZFDTOGO-IBGZPJMESA-N -1 3 412.405 4.384 50 0 HIAAHM CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1[O-] ZINC000006169087 557692691 /nfs/dbraw/zinc/69/26/91/557692691.db2.gz YMPSBSWHPNPBTL-UHFFFAOYSA-N -1 3 406.870 4.194 50 0 HIAAHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1ccc(C)cc1)C1CC1 ZINC000010682804 558384124 /nfs/dbraw/zinc/38/41/24/558384124.db2.gz ZDNPVQTXTIIJKR-SFHVURJKSA-N -1 3 410.333 4.196 50 0 HIAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020745520 558410328 /nfs/dbraw/zinc/41/03/28/558410328.db2.gz LJJOLSCVTSDPLN-IBGZPJMESA-N -1 3 404.297 4.423 50 0 HIAAHM O=c1[n-]c(SCc2nc(-c3cccs3)no2)nc2c(-c3ccccc3)c[nH]c21 ZINC000021657950 558444767 /nfs/dbraw/zinc/44/47/67/558444767.db2.gz BJVRBLCTAPDRLM-UHFFFAOYSA-N -1 3 407.480 4.322 50 0 HIAAHM CN(CCOc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000022087518 558462973 /nfs/dbraw/zinc/46/29/73/558462973.db2.gz ZXGXNNWDCKWYLI-UHFFFAOYSA-N -1 3 415.902 4.409 50 0 HIAAHM Cc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000022744218 558507046 /nfs/dbraw/zinc/50/70/46/558507046.db2.gz RNOLRRRNYRBZHS-UHFFFAOYSA-N -1 3 402.447 4.099 50 0 HIAAHM Cc1c([O-])ccc2c(COC(=O)c3ccc(COCC(F)(F)F)cc3)cc(=O)oc12 ZINC000010939732 558586424 /nfs/dbraw/zinc/58/64/24/558586424.db2.gz QTAPTHBEIRNNHQ-UHFFFAOYSA-N -1 3 422.355 4.243 50 0 HIAAHM [O-]c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cc1Cl ZINC000014978240 558690229 /nfs/dbraw/zinc/69/02/29/558690229.db2.gz BGODZZARGPCYHV-UHFFFAOYSA-N -1 3 420.944 4.314 50 0 HIAAHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028090025 558691135 /nfs/dbraw/zinc/69/11/35/558691135.db2.gz WBXHPUZNNUXRCC-UHFFFAOYSA-N -1 3 415.297 4.080 50 0 HIAAHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028090025 558691139 /nfs/dbraw/zinc/69/11/39/558691139.db2.gz WBXHPUZNNUXRCC-UHFFFAOYSA-N -1 3 415.297 4.080 50 0 HIAAHM CC(C)N(C(=O)[C@@H](C)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000028882264 558706659 /nfs/dbraw/zinc/70/66/59/558706659.db2.gz FTFZUBXJINIKEY-MRXNPFEDSA-N -1 3 421.538 4.072 50 0 HIAAHM O=S(=O)(NN=c1[n-]cc(C(F)(F)F)cc1Cl)c1ccc2ccccc2c1 ZINC000016147824 558773631 /nfs/dbraw/zinc/77/36/31/558773631.db2.gz RMCUNMNVIAEGNK-UHFFFAOYSA-N -1 3 401.797 4.212 50 0 HIAAHM O=C(Nc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2s1)c1ccccc1 ZINC000033007639 558828548 /nfs/dbraw/zinc/82/85/48/558828548.db2.gz CCNCLKSNHBJQBU-UHFFFAOYSA-N -1 3 423.519 4.491 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013394 558832836 /nfs/dbraw/zinc/83/28/36/558832836.db2.gz MOBSBUCKVRLGOV-UHFFFAOYSA-N -1 3 415.515 4.460 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CCC3)cc2)cc1 ZINC000033128547 558882240 /nfs/dbraw/zinc/88/22/40/558882240.db2.gz HOSHPTKNTGYXNP-UHFFFAOYSA-N -1 3 414.571 4.380 50 0 HIAAHM COc1ccc(CN2CCc3nc(SCc4ccc(C)cc4)[n-]c(=O)c3C2)cc1 ZINC000033141656 558893320 /nfs/dbraw/zinc/89/33/20/558893320.db2.gz DHNNRUKERQQREG-UHFFFAOYSA-N -1 3 407.539 4.350 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]CCSc2ccc(C)cc2)c(Cl)c1Cl ZINC000004704937 558912561 /nfs/dbraw/zinc/91/25/61/558912561.db2.gz ZELIKRGWXQKTQS-UHFFFAOYSA-N -1 3 406.356 4.381 50 0 HIAAHM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000058366330 558922267 /nfs/dbraw/zinc/92/22/67/558922267.db2.gz JRPGWZFODCICMC-UHFFFAOYSA-N -1 3 408.523 4.299 50 0 HIAAHM O=S(=O)([N-]c1ccccc1Br)c1ccc(Br)c(F)c1 ZINC000095067872 559079174 /nfs/dbraw/zinc/07/91/74/559079174.db2.gz GOCYMMNMKGTUHQ-UHFFFAOYSA-N -1 3 409.074 4.152 50 0 HIAAHM Cc1nc(CN(C(=O)CC(C)C)C2CC2)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096318007 559109896 /nfs/dbraw/zinc/10/98/96/559109896.db2.gz PNSOAXLTJCHXRD-UHFFFAOYSA-N -1 3 421.463 4.225 50 0 HIAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)sc2c1CCCC2 ZINC000011915724 559267875 /nfs/dbraw/zinc/26/78/75/559267875.db2.gz PBDUUMWYABCWCZ-UHFFFAOYSA-N -1 3 412.467 4.329 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1 ZINC000139082021 559288351 /nfs/dbraw/zinc/28/83/51/559288351.db2.gz KLLBZQNNBYKXME-PCCBWWKXSA-N -1 3 404.853 4.391 50 0 HIAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(COc4ccccc4)nc3c1[C@H]2c1ccco1 ZINC000005346757 560570502 /nfs/dbraw/zinc/57/05/02/560570502.db2.gz VVMJZHBURYWWKQ-HXUWFJFHSA-N -1 3 412.405 4.288 50 0 HIAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000102663062 560819343 /nfs/dbraw/zinc/81/93/43/560819343.db2.gz FCFTXJGUUHNPLC-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000102729729 560822239 /nfs/dbraw/zinc/82/22/39/560822239.db2.gz FVYSIYMSOZLWHG-YPAWHYETSA-N -1 3 402.425 4.185 50 0 HIAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)ccc2OC)n1 ZINC000046020187 568423888 /nfs/dbraw/zinc/42/38/88/568423888.db2.gz BZRFLQXFCXSGSH-UHFFFAOYSA-N -1 3 401.488 4.115 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000020415596 568605922 /nfs/dbraw/zinc/60/59/22/568605922.db2.gz LOVKZIHKEXNIKI-UHFFFAOYSA-N -1 3 406.482 4.178 50 0 HIAAHM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000040152627 568625501 /nfs/dbraw/zinc/62/55/01/568625501.db2.gz BREJORDVNZMRDB-TXEJJXNPSA-N -1 3 416.877 4.033 50 0 HIAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000020888864 568647566 /nfs/dbraw/zinc/64/75/66/568647566.db2.gz ALJIRODGUKLEKC-CYBMUJFWSA-N -1 3 403.479 4.213 50 0 HIAAHM COc1ccc(CNCc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000021025573 568658870 /nfs/dbraw/zinc/65/88/70/568658870.db2.gz UDCAHRCFQWWPFK-UHFFFAOYSA-N -1 3 408.498 4.408 50 0 HIAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)c(OC)c1 ZINC000021032348 568659571 /nfs/dbraw/zinc/65/95/71/568659571.db2.gz UMENZHZBKDNPRT-UHFFFAOYSA-N -1 3 408.863 4.121 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccccc2Cl)CCO1 ZINC000096117272 568696567 /nfs/dbraw/zinc/69/65/67/568696567.db2.gz VJZVXRBZCWUIAN-MEDUHNTESA-N -1 3 407.923 4.147 50 0 HIAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc3cccnc32)CCO1 ZINC000096117748 568697251 /nfs/dbraw/zinc/69/72/51/568697251.db2.gz OEXAQJUCUMFAEZ-LIRRHRJNSA-N -1 3 424.526 4.042 50 0 HIAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)c1 ZINC000229970420 568716418 /nfs/dbraw/zinc/71/64/18/568716418.db2.gz PJHSNMLQMDNNBY-YTFSRNRJSA-N -1 3 414.461 4.055 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccs1 ZINC000238899718 568727218 /nfs/dbraw/zinc/72/72/18/568727218.db2.gz HBUUSADWLVKENE-GUDVDZBRSA-N -1 3 410.882 4.453 50 0 HIAAHM Nc1nnc(SCc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)s1 ZINC000002630094 568790379 /nfs/dbraw/zinc/79/03/79/568790379.db2.gz SWTHMQYCDFQART-UHFFFAOYSA-N -1 3 407.933 4.031 50 0 HIAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-][C@H]3CCCC[C@H]3C)c2)cc1 ZINC000003022251 568840521 /nfs/dbraw/zinc/84/05/21/568840521.db2.gz UEXPVJCELRUODH-QRWLVFNGSA-N -1 3 418.534 4.497 50 0 HIAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)Nc1cccnc1 ZINC000012555125 568855229 /nfs/dbraw/zinc/85/52/29/568855229.db2.gz PSBCWVRSKXGQMB-ZDUSSCGKSA-N -1 3 422.535 4.307 50 0 HIAAHM Cc1cc(OCC(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000004163584 568918416 /nfs/dbraw/zinc/91/84/16/568918416.db2.gz SPCNGRRVOUCIPN-SFHVURJKSA-N -1 3 418.843 4.447 50 0 HIAAHM Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1C ZINC000001430203 568940101 /nfs/dbraw/zinc/94/01/01/568940101.db2.gz QDFJKYUVUDKZMT-UHFFFAOYSA-N -1 3 413.326 4.303 50 0 HIAAHM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CCSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000012760404 568945239 /nfs/dbraw/zinc/94/52/39/568945239.db2.gz QFBVFGIRXKTPNG-UHFFFAOYSA-N -1 3 412.559 4.227 50 0 HIAAHM Cc1c([O-])ccc2c(COC(=O)c3c4c(nc5ccccc53)CCC4)cc(=O)oc12 ZINC000008008078 568968052 /nfs/dbraw/zinc/96/80/52/568968052.db2.gz HIIVIOCKGIKZCV-UHFFFAOYSA-N -1 3 401.418 4.201 50 0 HIAAHM COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3cccs3)[n-]c2=S)c1 ZINC000008151135 568977470 /nfs/dbraw/zinc/97/74/70/568977470.db2.gz FEMPSKOOYVSSCF-OAHLLOKOSA-N -1 3 402.545 4.481 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776835 569000115 /nfs/dbraw/zinc/00/01/15/569000115.db2.gz LRQHMSNTQWKSPT-UHFFFAOYSA-N -1 3 410.445 4.009 50 0 HIAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1cccc(C(C)(C)C)c1 ZINC000012823767 569007501 /nfs/dbraw/zinc/00/75/01/569007501.db2.gz KQDICBDOFZKRPS-UHFFFAOYSA-N -1 3 413.543 4.100 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(F)(F)F)c(Br)c1 ZINC000012916993 569022359 /nfs/dbraw/zinc/02/23/59/569022359.db2.gz QTOKGZWRYJLWRV-JQWIXIFHSA-N -1 3 400.260 4.157 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(F)(F)F)c(Br)c1 ZINC000012916998 569022462 /nfs/dbraw/zinc/02/24/62/569022462.db2.gz QTOKGZWRYJLWRV-ZYHUDNBSSA-N -1 3 400.260 4.157 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000226985221 569039974 /nfs/dbraw/zinc/03/99/74/569039974.db2.gz GUSRRSRXMWIWQD-KMDXXIMOSA-N -1 3 421.456 4.286 50 0 HIAAHM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)c2)on1 ZINC000006887756 569171176 /nfs/dbraw/zinc/17/11/76/569171176.db2.gz AIBUHFXPUPYWRF-UHFFFAOYSA-N -1 3 411.527 4.355 50 0 HIAAHM CC(C)n1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2Cl)c1 ZINC000065112514 569180594 /nfs/dbraw/zinc/18/05/94/569180594.db2.gz CDVXSEIWERCCST-UHFFFAOYSA-N -1 3 413.927 4.464 50 0 HIAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000017013718 569271772 /nfs/dbraw/zinc/27/17/72/569271772.db2.gz DHEBXYKSVIVRCF-UHFFFAOYSA-N -1 3 417.922 4.049 50 0 HIAAHM Cc1sc2[n-]c(COC(=O)C3(c4ccccc4F)CCCC3)nc(=O)c2c1C ZINC000008484038 571055163 /nfs/dbraw/zinc/05/51/63/571055163.db2.gz KDYLBWXJTMUMQH-UHFFFAOYSA-N -1 3 400.475 4.296 50 0 HIAAHM CSc1cccc(-n2nnc(-c3nsc([N-]C(=O)c4cccs4)n3)c2C)c1 ZINC000008603092 571090877 /nfs/dbraw/zinc/09/08/77/571090877.db2.gz XFRCXUKISOASRP-UHFFFAOYSA-N -1 3 414.541 4.130 50 0 HIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840913 571124133 /nfs/dbraw/zinc/12/41/33/571124133.db2.gz GJOHEPPHGOLGFZ-UHFFFAOYSA-N -1 3 400.544 4.375 50 0 HIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1C ZINC000008840869 571124147 /nfs/dbraw/zinc/12/41/47/571124147.db2.gz AULOJUKQQKAYBU-UHFFFAOYSA-N -1 3 416.543 4.130 50 0 HIAAHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)ccc1F ZINC000040093614 571161765 /nfs/dbraw/zinc/16/17/65/571161765.db2.gz DHQUNYKHRUHBIH-UHFFFAOYSA-N -1 3 410.898 4.301 50 0 HIAAHM Cc1c(CNCc2ccc3c(c2)OCO3)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932488 571162735 /nfs/dbraw/zinc/16/27/35/571162735.db2.gz FLYWZUXBHRAHLA-UHFFFAOYSA-N -1 3 410.445 4.009 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1C ZINC000008961289 571189839 /nfs/dbraw/zinc/18/98/39/571189839.db2.gz WVIMKABWSFXHQE-UHFFFAOYSA-N -1 3 424.478 4.471 50 0 HIAAHM O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000009120466 571225420 /nfs/dbraw/zinc/22/54/20/571225420.db2.gz BBAPJZLWPVTMRB-UHFFFAOYSA-N -1 3 418.877 4.210 50 0 HIAAHM CCN1c2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170600 571233703 /nfs/dbraw/zinc/23/37/03/571233703.db2.gz QRSRLIRTUBPLQB-UHFFFAOYSA-N -1 3 416.543 4.184 50 0 HIAAHM O=C(COC(=O)c1ccc([O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000009479450 571261932 /nfs/dbraw/zinc/26/19/32/571261932.db2.gz YBKYVFOTUVSZFS-LJQANCHMSA-N -1 3 424.840 4.173 50 0 HIAAHM Cc1cc(C(=O)NN=Cc2cc(Br)ccc2[O-])c(C)n1-c1ccccc1 ZINC000254415755 854211225 /nfs/dbraw/zinc/21/12/25/854211225.db2.gz XQGPNYRPDGPGLS-UHFFFAOYSA-N -1 3 412.287 4.326 50 0 HIAAHM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000479549496 894848710 /nfs/dbraw/zinc/84/87/10/894848710.db2.gz XFUXRENTLPQOCA-UHFFFAOYSA-N -1 3 403.504 4.034 50 0 HIAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccco1 ZINC000005099614 132301171 /nfs/dbraw/zinc/30/11/71/132301171.db2.gz YCHIKHKWYKRVJY-UHFFFAOYSA-N -1 3 414.458 4.121 50 0 HIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)c(C)c1 ZINC000005099641 132301289 /nfs/dbraw/zinc/30/12/89/132301289.db2.gz USMYRXDHWPHZBP-UHFFFAOYSA-N -1 3 400.544 4.348 50 0 HIAAHM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1N1CCN(C)CC1 ZINC000012605865 132364983 /nfs/dbraw/zinc/36/49/83/132364983.db2.gz FKDOLKXFSRTKBU-UHFFFAOYSA-N -1 3 415.603 4.090 50 0 HIAAHM CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000044903984 519469865 /nfs/dbraw/zinc/46/98/65/519469865.db2.gz RKSNDPFIIIJMAH-UHFFFAOYSA-N -1 3 405.863 4.209 50 0 HIAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)N1 ZINC000000652710 557039307 /nfs/dbraw/zinc/03/93/07/557039307.db2.gz UWLUJYPRZNBXHO-FQEVSTJZSA-N -1 3 406.404 4.355 50 0 HIAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000000673968 557051017 /nfs/dbraw/zinc/05/10/17/557051017.db2.gz OFYSKKZLDDXMOI-UHFFFAOYSA-N -1 3 410.495 4.365 50 0 HIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000674223 557051059 /nfs/dbraw/zinc/05/10/59/557051059.db2.gz VLBSABRDHNNECJ-UHFFFAOYSA-N -1 3 410.495 4.447 50 0 HIAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NCc1cccnc1 ZINC000001123051 557192747 /nfs/dbraw/zinc/19/27/47/557192747.db2.gz WBAMICYFQVJDFA-GOSISDBHSA-N -1 3 411.299 4.388 50 0 HIAAHM COc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2)c(Cl)c1Cl ZINC000002065760 557305600 /nfs/dbraw/zinc/30/56/00/557305600.db2.gz ZZYDGPMSQBGJKR-UHFFFAOYSA-N -1 3 406.356 4.214 50 0 HIAAHM CC[C@H]1CCc2c(sc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)c2C(N)=O)C1 ZINC000002084705 557310966 /nfs/dbraw/zinc/31/09/66/557310966.db2.gz BPNBHFJGYIQMAD-LURJTMIESA-N -1 3 418.387 4.310 50 0 HIAAHM O=C(Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000002836766 557399244 /nfs/dbraw/zinc/39/92/44/557399244.db2.gz BNWBISHXVDZZPV-UHFFFAOYSA-N -1 3 406.825 4.197 50 0 HIAAHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103389 557446811 /nfs/dbraw/zinc/44/68/11/557446811.db2.gz OVDOYGFZHUMMDN-QGZVFWFLSA-N -1 3 400.784 4.004 50 0 HIAAHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000003104993 557447054 /nfs/dbraw/zinc/44/70/54/557447054.db2.gz GORQAFKUEQJDJD-UHFFFAOYSA-N -1 3 424.522 4.376 50 0 HIAAHM CCn1c(SCC(=O)c2c(C)n(C)c3ccccc32)nnc1-c1ccccc1[O-] ZINC000004999353 557623382 /nfs/dbraw/zinc/62/33/82/557623382.db2.gz NSRFZRZACMRVCM-UHFFFAOYSA-N -1 3 406.511 4.446 50 0 HIAAHM O=C(COc1ccccc1Cl)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000009287836 557834612 /nfs/dbraw/zinc/83/46/12/557834612.db2.gz DUDCFLUCGVXPHB-UHFFFAOYSA-N -1 3 422.824 4.033 50 0 HIAAHM O=c1nc(CNc2ccc(F)cc2)[n-]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926510 558307768 /nfs/dbraw/zinc/30/77/68/558307768.db2.gz PZYUKYXMFQJBSD-UHFFFAOYSA-N -1 3 420.513 4.294 50 0 HIAAHM COC(=O)c1sc2nc(CN3CCC(C)CC3)ccc2c1[N-]C(=O)c1ccco1 ZINC000012149301 558338631 /nfs/dbraw/zinc/33/86/31/558338631.db2.gz OYESHVCMXCYJNQ-UHFFFAOYSA-N -1 3 413.499 4.160 50 0 HIAAHM O=C(c1ccc(Br)cc1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000022146126 558464767 /nfs/dbraw/zinc/46/47/67/558464767.db2.gz VNINLAMAEGHNIE-MRXNPFEDSA-N -1 3 419.241 4.482 50 0 HIAAHM CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013118117 558516796 /nfs/dbraw/zinc/51/67/96/558516796.db2.gz CLYSWRYARIPNPG-UHFFFAOYSA-N -1 3 415.946 4.046 50 0 HIAAHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1 ZINC000023156702 558539707 /nfs/dbraw/zinc/53/97/07/558539707.db2.gz KDZCKCZASRXYRZ-OKILXGFUSA-N -1 3 424.925 4.398 50 0 HIAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000024242831 558593057 /nfs/dbraw/zinc/59/30/57/558593057.db2.gz ZNKCXHLQFQMJNE-UHFFFAOYSA-N -1 3 412.639 4.190 50 0 HIAAHM O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000024840789 558616826 /nfs/dbraw/zinc/61/68/26/558616826.db2.gz OUBIZSVYDBSSCM-UHFFFAOYSA-N -1 3 418.877 4.461 50 0 HIAAHM Cc1ccccc1OCc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n[n-]1 ZINC000014254294 558650994 /nfs/dbraw/zinc/65/09/94/558650994.db2.gz COZCIJAKEYIIDM-OAHLLOKOSA-N -1 3 422.510 4.408 50 0 HIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)on2)cc1OC ZINC000027795647 558683418 /nfs/dbraw/zinc/68/34/18/558683418.db2.gz MROVZWDRGNMDLP-UHFFFAOYSA-N -1 3 420.421 4.334 50 0 HIAAHM COc1ccc(-c2cc([N-]C(=O)c3cc(=O)c4cc(C)ccc4o3)on2)cc1OC ZINC000027985661 558687388 /nfs/dbraw/zinc/68/73/88/558687388.db2.gz VQXBLPGUBMEUNH-UHFFFAOYSA-N -1 3 406.394 4.026 50 0 HIAAHM C[C@]12C(=O)N(c3ccc(F)cc3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000015320598 558732654 /nfs/dbraw/zinc/73/26/54/558732654.db2.gz GBTGNQFSCNVAKQ-ZFGGDYGUSA-N -1 3 402.425 4.267 50 0 HIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)N[C@@H](C)CC)CC3)cc2)cc1 ZINC000033115376 558761519 /nfs/dbraw/zinc/76/15/19/558761519.db2.gz NTIDIDVRXRZWHX-KRWDZBQOSA-N -1 3 414.571 4.386 50 0 HIAAHM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274565 558764011 /nfs/dbraw/zinc/76/40/11/558764011.db2.gz TXYFAEHPFSOFBB-GOSISDBHSA-N -1 3 414.571 4.359 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000033274813 558764544 /nfs/dbraw/zinc/76/45/44/558764544.db2.gz FGKXBIOPBKKVDI-UHFFFAOYSA-N -1 3 412.555 4.276 50 0 HIAAHM CCCSc1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C(=O)OC)CCC3)n1 ZINC000016742472 558804152 /nfs/dbraw/zinc/80/41/52/558804152.db2.gz JYEQYXDGNUXQCK-UHFFFAOYSA-N -1 3 411.936 4.221 50 0 HIAAHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000013495040 558807828 /nfs/dbraw/zinc/80/78/28/558807828.db2.gz QXMAUGUSJOIMRW-UHFFFAOYSA-N -1 3 405.907 4.166 50 0 HIAAHM Cc1[nH]nc(-c2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)cc2[O-])c1-c1ccccc1 ZINC000017058684 558813527 /nfs/dbraw/zinc/81/35/27/558813527.db2.gz WKGNEVKIGSGPKY-CALCHBBNSA-N -1 3 407.514 4.246 50 0 HIAAHM CCCC[C@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700325 558907786 /nfs/dbraw/zinc/90/77/86/558907786.db2.gz DWCVXBWFVNIXHI-LAUBAEHRSA-N -1 3 400.494 4.052 50 0 HIAAHM COc1ccccc1CN1CCc2nc(SCc3ccccc3F)[n-]c(=O)c2C1 ZINC000033287270 559043930 /nfs/dbraw/zinc/04/39/30/559043930.db2.gz GFMXKKLHQFPXAU-UHFFFAOYSA-N -1 3 411.502 4.181 50 0 HIAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000005085434 559242219 /nfs/dbraw/zinc/24/22/19/559242219.db2.gz MADIIHWVTPVBSD-QHAWAJNXSA-N -1 3 406.388 4.016 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000137391112 559280063 /nfs/dbraw/zinc/28/00/63/559280063.db2.gz AKDBBUXGUHMDLV-PWRODBHTSA-N -1 3 420.852 4.097 50 0 HIAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000018098883 560775410 /nfs/dbraw/zinc/77/54/10/560775410.db2.gz BGOFGNTZSGJLKH-SQNIBIBYSA-N -1 3 405.281 4.472 50 0 HIAAHM Cc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796918 560801727 /nfs/dbraw/zinc/80/17/27/560801727.db2.gz TUHHLLSYSLIJQD-UHFFFAOYSA-N -1 3 402.502 4.074 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000102727242 560822043 /nfs/dbraw/zinc/82/20/43/560822043.db2.gz YVHMGXOOHASBAF-PCCBWWKXSA-N -1 3 420.852 4.097 50 0 HIAAHM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)S1 ZINC000013801690 560829912 /nfs/dbraw/zinc/82/99/12/560829912.db2.gz RCUOMVATVBUDLP-NVNXTCNLSA-N -1 3 408.248 4.491 50 0 HIAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000102861325 560831847 /nfs/dbraw/zinc/83/18/47/560831847.db2.gz YIUVGXMAJGCVAH-DNVJHFABSA-N -1 3 414.461 4.055 50 0 HIAAHM Cc1nn(-c2ccccc2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000046057482 568426239 /nfs/dbraw/zinc/42/62/39/568426239.db2.gz QDXPUEQCVHHESO-MRXNPFEDSA-N -1 3 410.271 4.252 50 0 HIAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCCC[C@H]3c3cccnc3)c(=O)oc12 ZINC000390826596 568591229 /nfs/dbraw/zinc/59/12/29/568591229.db2.gz ATHXDHQJNBFAHP-FQEVSTJZSA-N -1 3 406.482 4.197 50 0 HIAAHM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-][C@H](c1nccc(C)n1)C1CC1 ZINC000095465282 568622989 /nfs/dbraw/zinc/62/29/89/568622989.db2.gz JVEHNJOLSKTNGM-INIZCTEOSA-N -1 3 407.948 4.391 50 0 HIAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCc2ccc(C)cc2)S1 ZINC000020896187 568649214 /nfs/dbraw/zinc/64/92/14/568649214.db2.gz PVJPSBZYXLVUGR-IBGZPJMESA-N -1 3 417.918 4.228 50 0 HIAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977728 568653988 /nfs/dbraw/zinc/65/39/88/568653988.db2.gz BMJXRGSTPKRPOP-UHFFFAOYSA-N -1 3 406.382 4.040 50 0 HIAAHM COc1cc(CNCc2c(C)n(-c3ccccc3)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000021025805 568658707 /nfs/dbraw/zinc/65/87/07/568658707.db2.gz RGPUGXSJUWMTTA-UHFFFAOYSA-N -1 3 424.497 4.108 50 0 HIAAHM CSc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096116826 568696204 /nfs/dbraw/zinc/69/62/04/568696204.db2.gz KUEFRHXQSJFVMK-DYVFJYSZSA-N -1 3 419.572 4.215 50 0 HIAAHM COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)cc(I)c1[O-] ZINC000229912474 568716055 /nfs/dbraw/zinc/71/60/55/568716055.db2.gz JZAASMHKFMEDIL-DZGCQCFKSA-N -1 3 401.288 4.160 50 0 HIAAHM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000096379537 568741030 /nfs/dbraw/zinc/74/10/30/568741030.db2.gz VXLRYOYXPVRJRC-UHFFFAOYSA-N -1 3 404.467 4.197 50 0 HIAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(F)c1 ZINC000230050556 568805094 /nfs/dbraw/zinc/80/50/94/568805094.db2.gz RLIPVQWPVHWTJF-PWRODBHTSA-N -1 3 424.378 4.155 50 0 HIAAHM COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(Br)c1[O-] ZINC000057538939 568852322 /nfs/dbraw/zinc/85/23/22/568852322.db2.gz QANPJOOBDBRKDL-UHFFFAOYSA-N -1 3 405.336 4.102 50 0 HIAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)cc1 ZINC000012557232 568856241 /nfs/dbraw/zinc/85/62/41/568856241.db2.gz WIHKFALLSOXLPO-UHFFFAOYSA-N -1 3 424.522 4.077 50 0 HIAAHM CSCc1nc(=O)c2c(C)c(C(=O)Nc3nc4ccc(C)cc4s3)sc2[n-]1 ZINC000012584943 568865891 /nfs/dbraw/zinc/86/58/91/568865891.db2.gz ZKBYQQRHCHBADF-UHFFFAOYSA-N -1 3 416.553 4.326 50 0 HIAAHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000031380057 568925176 /nfs/dbraw/zinc/92/51/76/568925176.db2.gz SXZAQZLQWUJJQO-KRWDZBQOSA-N -1 3 408.523 4.009 50 0 HIAAHM Cc1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)n1Cc1ccco1 ZINC000084068190 568935559 /nfs/dbraw/zinc/93/55/59/568935559.db2.gz ILPINPNAOJBEES-UHFFFAOYSA-N -1 3 402.454 4.057 50 0 HIAAHM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CCSc2nnc(-c3ccccc3)o2)cc1 ZINC000012765493 568948040 /nfs/dbraw/zinc/94/80/40/568948040.db2.gz DOJJLAYYVZXJHK-UHFFFAOYSA-N -1 3 409.511 4.473 50 0 HIAAHM COc1ccc([C@H]2CCCN2Cn2nc(-c3cccs3)[n-]c2=S)c(OC)c1 ZINC000008151249 568977543 /nfs/dbraw/zinc/97/75/43/568977543.db2.gz VYVCIOQAEFXXDJ-OAHLLOKOSA-N -1 3 402.545 4.481 50 0 HIAAHM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)ccc2S1 ZINC000015730515 568981210 /nfs/dbraw/zinc/98/12/10/568981210.db2.gz ZTLJLVRLCLLMRW-SECBINFHSA-N -1 3 400.884 4.103 50 0 HIAAHM O=C([N-]c1c2ccccc2oc1[C@H](c1cccnc1)N1CCOCC1)c1ccco1 ZINC000015859331 569015084 /nfs/dbraw/zinc/01/50/84/569015084.db2.gz OWHFDDLAYMLWCR-NRFANRHFSA-N -1 3 403.438 4.095 50 0 HIAAHM COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccccc2C)ccc1O ZINC000005490950 569018689 /nfs/dbraw/zinc/01/86/89/569018689.db2.gz QBUZAJFRPWOXQK-QFIPXVFZSA-N -1 3 415.445 4.492 50 0 HIAAHM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccccc2C)ccc1O ZINC000005490950 569018690 /nfs/dbraw/zinc/01/86/90/569018690.db2.gz QBUZAJFRPWOXQK-QFIPXVFZSA-N -1 3 415.445 4.492 50 0 HIAAHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(F)(F)F)c(Br)c1 ZINC000012917002 569022443 /nfs/dbraw/zinc/02/24/43/569022443.db2.gz QTOKGZWRYJLWRV-PWSUYJOCSA-N -1 3 400.260 4.157 50 0 HIAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000006316456 569040325 /nfs/dbraw/zinc/04/03/25/569040325.db2.gz RJEQIDGKLQZDEK-UHFFFAOYSA-N -1 3 408.676 4.441 50 0 HIAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000239274913 569054072 /nfs/dbraw/zinc/05/40/72/569054072.db2.gz AXIORQHCBDQORL-YPAWHYETSA-N -1 3 418.449 4.120 50 0 HIAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000245311949 569055820 /nfs/dbraw/zinc/05/58/20/569055820.db2.gz QUFAJEFNCKOFAQ-YPAWHYETSA-N -1 3 420.415 4.324 50 0 HIAAHM O=S(=O)([N-]c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1 ZINC000006498763 569061431 /nfs/dbraw/zinc/06/14/31/569061431.db2.gz QWMWFJCNXBNLIF-UHFFFAOYSA-N -1 3 418.272 4.386 50 0 aggregator HIAAHM COc1ccccc1Nc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006510010 569062037 /nfs/dbraw/zinc/06/20/37/569062037.db2.gz UUNURFNYLOQZFG-UHFFFAOYSA-N -1 3 411.483 4.198 50 0 HIAAHM COc1ccc(OC)c(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000006566379 569066284 /nfs/dbraw/zinc/06/62/84/569066284.db2.gz IAPGNIOZYQPHJD-UHFFFAOYSA-N -1 3 405.476 4.413 50 0 HIAAHM Cc1cccc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccco3)C2=O)n1 ZINC000006759009 569113074 /nfs/dbraw/zinc/11/30/74/569113074.db2.gz HHFRNMZLXBRJIY-HXUWFJFHSA-N -1 3 414.387 4.143 50 0 HIAAHM CCc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000006819361 569139197 /nfs/dbraw/zinc/13/91/97/569139197.db2.gz WKQUCHVYUYXFCT-UHFFFAOYSA-N -1 3 406.573 4.034 50 0 aggregator HIAAHM O=S(=O)([N-]Cc1cc2cc(F)ccc2s1)c1ccc(Br)s1 ZINC000036398419 569171597 /nfs/dbraw/zinc/17/15/97/569171597.db2.gz JCIIEFSBCBNPOD-UHFFFAOYSA-N -1 3 406.323 4.343 50 0 HIAAHM O=C([N-]c1c(F)c(F)cc(F)c1F)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006939634 569185457 /nfs/dbraw/zinc/18/54/57/569185457.db2.gz OSBYNZVIFUDKBD-UHFFFAOYSA-N -1 3 400.335 4.472 50 0 HIAAHM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc21 ZINC000013696271 569257161 /nfs/dbraw/zinc/25/71/61/569257161.db2.gz VKYCQYHSZIUUPH-UHFFFAOYSA-N -1 3 416.499 4.032 50 0 HIAAHM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000253432854 569370105 /nfs/dbraw/zinc/37/01/05/569370105.db2.gz OVCAQWMCGRAJMS-INIZCTEOSA-N -1 3 414.364 4.291 50 0 HIAAHM C[C@@H](Sc1nnc(-c2ccccc2[O-])o1)C(=O)Nc1ccc(Br)cc1 ZINC000000873615 571042823 /nfs/dbraw/zinc/04/28/23/571042823.db2.gz ZENNPLSKMZUBQG-SNVBAGLBSA-N -1 3 420.288 4.324 50 0 HIAAHM [O-][C@@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccncc2)cs1 ZINC000008777786 571118058 /nfs/dbraw/zinc/11/80/58/571118058.db2.gz BNWUDYMHVJXSKK-HNAYVOBHSA-N -1 3 416.428 4.243 50 0 HIAAHM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OCC)c(C)c3)cc2CCC1=O ZINC000008840601 571123820 /nfs/dbraw/zinc/12/38/20/571123820.db2.gz CJVGLPATWNDLLB-UHFFFAOYSA-N -1 3 416.543 4.192 50 0 HIAAHM Cc1nc(C)c(-c2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)o2)s1 ZINC000040051706 571145522 /nfs/dbraw/zinc/14/55/22/571145522.db2.gz UFLNKPKUNADTLX-UHFFFAOYSA-N -1 3 401.469 4.223 50 0 HIAAHM CCc1nnc([N-]C(=O)c2ccc(COc3cccc(Br)c3)o2)s1 ZINC000040140296 571191515 /nfs/dbraw/zinc/19/15/15/571191515.db2.gz NLELOAZOIBJZMN-UHFFFAOYSA-N -1 3 408.277 4.287 50 0 HIAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(CC)cc3)ccc2OCC(C)(C)C1=O ZINC000009171717 571233874 /nfs/dbraw/zinc/23/38/74/571233874.db2.gz CIUUIMCNSKRXFG-UHFFFAOYSA-N -1 3 416.543 4.211 50 0 HIAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2ccc(Cl)cc2)cc1C ZINC000009495626 571263113 /nfs/dbraw/zinc/26/31/13/571263113.db2.gz YDVZYMHOUURCRU-UHFFFAOYSA-N -1 3 424.913 4.354 50 0 HIAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2ccc(Cl)cc2)cc1C ZINC000009495626 571263114 /nfs/dbraw/zinc/26/31/14/571263114.db2.gz YDVZYMHOUURCRU-UHFFFAOYSA-N -1 3 424.913 4.354 50 0 HIAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c(O)c1 ZINC000009502501 571263437 /nfs/dbraw/zinc/26/34/37/571263437.db2.gz CJCGJRSXKNEENO-UHFFFAOYSA-N -1 3 416.886 4.407 50 0 HIAAHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCCO2)c1ccccc1C(F)(F)F ZINC000009513626 571264577 /nfs/dbraw/zinc/26/45/77/571264577.db2.gz CTMBNSMBKNWFRX-UHFFFAOYSA-N -1 3 407.797 4.321 50 0 HIAAHM O=C(CCCSc1nc2ccccc2s1)OCc1nc2ccsc2c(=O)[n-]1 ZINC000009684375 571279452 /nfs/dbraw/zinc/27/94/52/571279452.db2.gz KVBMIJCTORLASZ-UHFFFAOYSA-N -1 3 417.537 4.210 50 0 HIAAHM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C)n1C ZINC000009685051 571279752 /nfs/dbraw/zinc/27/97/52/571279752.db2.gz SEIJDWHBOZGMEL-UHFFFAOYSA-N -1 3 423.966 4.031 50 0 HIAAHM