smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccc(F)c(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000030879752 291192190 /nfs/dbraw/zinc/19/21/90/291192190.db2.gz HGBIIWFXBBSIKW-VSZNYVQBSA-N 0 0 400.878 1.430 40 0 biogenic,in-vitro HDABRN CS(=O)(=O)c1ccc(CN2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)cc1 ZINC000096269115 291197661 /nfs/dbraw/zinc/19/76/61/291197661.db2.gz WJVVYXBXTMIQPQ-GOSISDBHSA-N 0 0 400.504 1.607 40 0 biogenic,in-vitro HDABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1OC ZINC000253406965 291196203 /nfs/dbraw/zinc/19/62/03/291196203.db2.gz VJHCWPPUKOQUJU-SMDDNHRTSA-N 0 0 403.435 1.763 40 0 biogenic,in-vitro HDABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCCN2CCOCC2)cc1OC ZINC000253396135 291196211 /nfs/dbraw/zinc/19/62/11/291196211.db2.gz DEHSMTLZKJGXFJ-ZDUSSCGKSA-N 0 0 405.451 1.474 40 0 biogenic,in-vitro HDABRN COc1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(-c3ccccn3)nn2)cc1 ZINC000015709261 291196372 /nfs/dbraw/zinc/19/63/72/291196372.db2.gz YCUKVEKGDVOZHZ-VNTMZGSJSA-N 0 0 407.430 1.486 40 0 biogenic,in-vitro HDABRN O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCCC3)N2C1 ZINC000015707515 291200608 /nfs/dbraw/zinc/20/06/08/291200608.db2.gz SQWHHZXAJGIZBE-XHSDSOJGSA-N 0 0 405.524 1.214 40 0 biogenic,in-vitro HDABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC(F)(F)CC3)C2)C(=O)N1Cc1ccccc1 ZINC000225382369 291201553 /nfs/dbraw/zinc/20/15/53/291201553.db2.gz WENMMJCBROQAEK-MSOLQXFVSA-N 0 0 419.472 1.623 40 0 biogenic,in-vitro HDABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccccc3OC)CC2)=[NH+][C@H]1c1ccco1 ZINC000010157557 132345394 /nfs/dbraw/zinc/34/53/94/132345394.db2.gz PVGRJPKRDLOIDW-MSOLQXFVSA-N 0 0 412.446 1.427 40 0 HDABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(N)=O)Oc2ccc(Cl)cc21 ZINC000030946381 132497897 /nfs/dbraw/zinc/49/78/97/132497897.db2.gz DVGVHEAINSQIOS-HNNXBMFYSA-N 0 0 409.851 1.605 40 0 HDABRN CCN(CC(=O)Nc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000225931892 520358251 /nfs/dbraw/zinc/35/82/51/520358251.db2.gz PMXJYVAQSISFJZ-UHFFFAOYSA-N 0 0 403.504 1.981 40 0 HDABRN CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 ZINC000019762100 520776359 /nfs/dbraw/zinc/77/63/59/520776359.db2.gz SAXUCUQHBMWKBL-IBGZPJMESA-N 0 0 420.535 1.897 40 0 HDABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 ZINC000020245096 522090951 /nfs/dbraw/zinc/09/09/51/522090951.db2.gz SSZROSDYJKTWAG-UHFFFAOYSA-N 0 0 409.439 1.864 40 0 HDABRN CN1C(SCC(=O)Nc2ccc(Br)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508633 523738527 /nfs/dbraw/zinc/73/85/27/523738527.db2.gz DXNFBXLQMOYYEB-NWDGAFQWSA-N 0 0 418.338 1.588 40 0 HDABRN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cccc(F)c3)c(=O)n12 ZINC000032709493 523812837 /nfs/dbraw/zinc/81/28/37/523812837.db2.gz WOHUMNZTAZULLD-MYZHFFDJSA-N 0 0 424.453 1.998 40 0 HDABRN COc1ccc(CC(=O)N2Cc3cn(C)nc3[C@H](C(=O)NCc3ccccn3)C2)cc1 ZINC000072345608 523898514 /nfs/dbraw/zinc/89/85/14/523898514.db2.gz AETMNUUZTRHEOM-HXUWFJFHSA-N 0 0 419.485 1.809 40 0 HDABRN COCCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 ZINC000032616520 523930596 /nfs/dbraw/zinc/93/05/96/523930596.db2.gz ARMKASHVDIJVNU-CYBMUJFWSA-N 0 0 418.475 1.736 40 0 HDABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2nc[nH]n2)CCO1 ZINC000072389144 524091106 /nfs/dbraw/zinc/09/11/06/524091106.db2.gz AUGVFPMPFZEVAG-HSZRJFAPSA-N 0 0 419.485 1.980 40 0 HDABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)cc2)cc1OC ZINC000225782579 525001550 /nfs/dbraw/zinc/00/15/50/525001550.db2.gz UMKOGNIAVMPXAD-UHFFFAOYSA-N 0 0 422.503 1.828 40 0 HDABRN NC(=O)NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399507 526927832 /nfs/dbraw/zinc/92/78/32/526927832.db2.gz AXPOHMZFEIQHPW-QMMMGPOBSA-N 0 0 411.205 1.441 40 0 HDABRN COc1ccccc1OCC(=O)N1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012367264 537089577 /nfs/dbraw/zinc/08/95/77/537089577.db2.gz OKPMHUMUSBVRSD-OAHLLOKOSA-N 0 0 414.462 1.422 40 0 HDABRN CCN1CCN(C(=O)N[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001447088 557266516 /nfs/dbraw/zinc/26/65/16/557266516.db2.gz GLZINICFUJEKJF-MRXNPFEDSA-N 0 0 400.932 1.798 40 0 HDABRN O=C(CCN1C(=O)c2ccccc2C1=O)[C@@H](O)CCN1C(=O)c2ccccc2C1=O ZINC000001581878 557273777 /nfs/dbraw/zinc/27/37/77/557273777.db2.gz DRHRATRVQCGSHZ-KRWDZBQOSA-N 0 0 406.394 1.289 40 0 HDABRN COC(=O)[C@@H](CCSC)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C ZINC000001703483 557281590 /nfs/dbraw/zinc/28/15/90/557281590.db2.gz BJHZNDPHTPPVMH-WBVHZDCISA-N 0 0 418.519 1.795 40 0 HDABRN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccccc1 ZINC000408558285 557455552 /nfs/dbraw/zinc/45/55/52/557455552.db2.gz QFINVXPBCRYGII-UHFFFAOYSA-N 0 0 417.487 1.834 40 0 HDABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000408586244 557489238 /nfs/dbraw/zinc/48/92/38/557489238.db2.gz AUTDMKLPOQPFAZ-CQSZACIVSA-N 0 0 415.943 1.523 40 0 HDABRN CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1C ZINC000408587415 557490741 /nfs/dbraw/zinc/49/07/41/557490741.db2.gz BUFVCZQRJFQELT-UHFFFAOYSA-N 0 0 420.443 1.729 40 0 HDABRN CN1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 ZINC000408588658 557494290 /nfs/dbraw/zinc/49/42/90/557494290.db2.gz DNYBQIYKMHEUNC-UHFFFAOYSA-N 0 0 415.943 1.714 40 0 HDABRN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000408595440 557513039 /nfs/dbraw/zinc/51/30/39/557513039.db2.gz RURBCBFUUVKAJK-MRXNPFEDSA-N 0 0 413.515 1.065 40 0 HDABRN COCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000004355148 557545285 /nfs/dbraw/zinc/54/52/85/557545285.db2.gz XZPIKKBLGZVSCL-UHFFFAOYSA-N 0 0 423.315 1.476 40 0 HDABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1Cl ZINC000408626700 557559817 /nfs/dbraw/zinc/55/98/17/557559817.db2.gz VXPDCFUNEHZZTP-NSHDSACASA-N 0 0 417.915 1.129 40 0 HDABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)N1CCCC1 ZINC000005060628 557632523 /nfs/dbraw/zinc/63/25/23/557632523.db2.gz ORXSZTMFHZSKOK-VQIMIIECSA-N 0 0 415.490 1.336 40 0 HDABRN O=C(OC[C@H]1OCO[C@@H](COC(=O)c2ccccc2)[C@@H](O)[C@H]1O)c1ccccc1 ZINC000005249420 557641576 /nfs/dbraw/zinc/64/15/76/557641576.db2.gz SYMKKOZGTPZQCY-SEXKYXSUSA-N 0 0 402.399 1.164 40 0 HDABRN COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000005681205 557668615 /nfs/dbraw/zinc/66/86/15/557668615.db2.gz BCBZSOOFGMSDAD-UHFFFAOYSA-N 0 0 418.515 1.965 40 0 HDABRN COC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(C)C ZINC000005706852 557669559 /nfs/dbraw/zinc/66/95/59/557669559.db2.gz TVCNPXGWXYJWMS-WMZOPIPTSA-N 0 0 419.478 1.218 40 0 HDABRN CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O ZINC000005706629 557669588 /nfs/dbraw/zinc/66/95/88/557669588.db2.gz AXBQNVFWVYJBNI-RTBURBONSA-N 0 0 413.474 2.000 40 0 HDABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000408713780 557747217 /nfs/dbraw/zinc/74/72/17/557747217.db2.gz WOTMQTKTOSSIHE-CQSZACIVSA-N 0 0 407.467 1.946 40 0 HDABRN CCOC(=O)C1=C(C)n2c(=O)c(=C(C)C)sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408729880 557785567 /nfs/dbraw/zinc/78/55/67/557785567.db2.gz DUXXHWRNGWBTDH-MRXNPFEDSA-N 0 0 402.472 1.983 40 0 HDABRN CCOC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000010445119 557862335 /nfs/dbraw/zinc/86/23/35/557862335.db2.gz DRNVUFKKOVDPKT-UHFFFAOYSA-N 0 0 402.428 1.955 40 0 HDABRN COCCN(Cc1ccc2c(c1)n(C)c(=O)n2C)S(=O)(=O)N1CCC(C)CC1 ZINC000019719828 558258104 /nfs/dbraw/zinc/25/81/04/558258104.db2.gz QNDSIABECHYASM-UHFFFAOYSA-N 0 0 410.540 1.302 40 0 HDABRN CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 ZINC000010544301 558259219 /nfs/dbraw/zinc/25/92/19/558259219.db2.gz LRBIBNBQVQXQCB-MRXNPFEDSA-N 0 0 411.524 1.759 40 0 HDABRN CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)Cn4cccnc4=O)CC3)nc21 ZINC000019739306 558260376 /nfs/dbraw/zinc/26/03/76/558260376.db2.gz VFWCORNPSDZJFE-UHFFFAOYSA-N 0 0 424.505 1.437 40 0 HDABRN COCCC(=O)N1CCC[C@@H]1c1cc(C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000019743639 558264187 /nfs/dbraw/zinc/26/41/87/558264187.db2.gz ZVTBOUULEZWMLK-GFCCVEGCSA-N 0 0 414.384 1.351 40 0 HDABRN COc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)c2cn3cccc(C)c3n2)CCO1 ZINC000019747158 558266988 /nfs/dbraw/zinc/26/69/88/558266988.db2.gz UXGGMOBYWRDBDB-FQEVSTJZSA-N 0 0 422.485 1.851 40 0 HDABRN O=C(NCc1[nH]nc2c1CCCC2)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019747658 558267186 /nfs/dbraw/zinc/26/71/86/558267186.db2.gz OUMLYLUNZPOPGZ-CYBMUJFWSA-N 0 0 406.483 1.755 40 0 HDABRN CCN(CC)S(=O)(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019760286 558276161 /nfs/dbraw/zinc/27/61/61/558276161.db2.gz SRKJUQLVHXLGAV-MRXNPFEDSA-N 0 0 412.560 1.244 40 0 HDABRN CC(=O)NCC(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 ZINC000019761259 558276702 /nfs/dbraw/zinc/27/67/02/558276702.db2.gz WTECURJKXZUTSZ-KRWDZBQOSA-N 0 0 423.517 1.074 40 0 HDABRN O=CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000019868454 558299336 /nfs/dbraw/zinc/29/93/36/558299336.db2.gz MJEPWEPQKALRSI-UHFFFAOYSA-N 0 0 413.927 1.182 40 0 HDABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)cc1 ZINC000012085409 558321427 /nfs/dbraw/zinc/32/14/27/558321427.db2.gz SYXSXEDAJDZYGY-OAHLLOKOSA-N 0 0 414.491 1.845 40 0 HDABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1OC ZINC000020022668 558321618 /nfs/dbraw/zinc/32/16/18/558321618.db2.gz SVDHAVRYRNRKGY-UHFFFAOYSA-N 0 0 422.503 1.958 40 0 HDABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000012118866 558330053 /nfs/dbraw/zinc/33/00/53/558330053.db2.gz YKVZAGDWYYKNRV-UHFFFAOYSA-N 0 0 413.503 1.867 40 0 HDABRN Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2O)N(C)S(=O)(=O)N1 ZINC000012131179 558332760 /nfs/dbraw/zinc/33/27/60/558332760.db2.gz FWKVXQKZHGGVSU-JSGCOSHPSA-N 0 0 413.887 1.306 40 0 HDABRN CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2cscn2)CC1 ZINC000012133300 558333319 /nfs/dbraw/zinc/33/33/19/558333319.db2.gz LXDKVLLVWNJMQZ-UHFFFAOYSA-N 0 0 421.548 1.957 40 0 HDABRN CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCC(C(N)=O)CC3)c(=O)c21 ZINC000012142718 558335030 /nfs/dbraw/zinc/33/50/30/558335030.db2.gz GZHUTHMRHAAOCX-UHFFFAOYSA-N 0 0 401.492 1.465 40 0 HDABRN Cc1cc2ccccc2n2c(=O)n(CCNC(=O)c3cnc4ccccn4c3=O)nc12 ZINC000012146378 558337661 /nfs/dbraw/zinc/33/76/61/558337661.db2.gz LPCBCCUQKFEAFG-UHFFFAOYSA-N 0 0 414.425 1.396 40 0 HDABRN Cc1cc([C@H]2CCCCCN2S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)on1 ZINC000012159395 558341315 /nfs/dbraw/zinc/34/13/15/558341315.db2.gz DNOIANUAMKCPOK-OAHLLOKOSA-N 0 0 404.448 1.819 40 0 HDABRN O=C(Cn1nc2c3ccccc3nc(Cc3ccccc3)n2c1=O)N1CCOCC1 ZINC000012181931 558343087 /nfs/dbraw/zinc/34/30/87/558343087.db2.gz FATOTFZCDWATHZ-UHFFFAOYSA-N 0 0 403.442 1.494 40 0 HDABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N[C@@H]1CSC[C@@H]1O)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000012185183 558344471 /nfs/dbraw/zinc/34/44/71/558344471.db2.gz RLJIIEBSUWTVQN-WOZQAKRDSA-N 0 0 402.516 1.924 40 0 HDABRN CC1(C)Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)cc2NC1=O ZINC000012187632 558346609 /nfs/dbraw/zinc/34/66/09/558346609.db2.gz VVZGNIJDUFBQJY-UHFFFAOYSA-N 0 0 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XKBUASBGWYKRGA-DYESRHJHSA-N 0 0 403.527 1.944 40 0 HDABRN O=C(Cc1ccccc1)N1CCO[C@H](Cn2nnc3c2ncnc3N2CCCC2)C1 ZINC000306144434 568905826 /nfs/dbraw/zinc/90/58/26/568905826.db2.gz ZEZSMMXNSBVVOP-KRWDZBQOSA-N 0 0 407.478 1.292 40 0 HDABRN CC(C)n1cnc([C@@H]2CN(S(=O)(=O)N(C)C)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144819 568906260 /nfs/dbraw/zinc/90/62/60/568906260.db2.gz ZPHYPYHDWCWKCT-QFBILLFUSA-N 0 0 409.556 1.298 40 0 HDABRN CCS(=O)(=O)N1CCC(c2nc3c4cnn(-c5ccccc5)c4ncn3n2)CC1 ZINC000002809439 568932420 /nfs/dbraw/zinc/93/24/20/568932420.db2.gz DUDIHUHZPWHNGF-UHFFFAOYSA-N 0 0 411.491 1.992 40 0 HDABRN CCN(C(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000011896495 568941512 /nfs/dbraw/zinc/94/15/12/568941512.db2.gz AEFNYRIDFRKXRI-LFTLCWSBSA-N 0 0 414.530 1.820 40 0 HDABRN O=S(=O)(c1ccc(C2N=NC(=S)N2Cc2ccco2)cc1)N1CCOCC1 ZINC000013534650 569004610 /nfs/dbraw/zinc/00/46/10/569004610.db2.gz AJDQNIWCHCJGRC-UHFFFAOYSA-N 0 0 406.489 1.896 40 0 HDABRN CC(C)CNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101473202 569013450 /nfs/dbraw/zinc/01/34/50/569013450.db2.gz JXCQMZCNJXSUFR-CALCHBBNSA-N 0 0 409.552 1.660 40 0 HDABRN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101504866 569013988 /nfs/dbraw/zinc/01/39/88/569013988.db2.gz XSIWBQABSBVJPK-OWCLPIDISA-N 0 0 414.549 1.075 40 0 HDABRN Cc1ccc(C)c(S(=O)(=O)N(c2cccc(O)c2)[C@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000575421351 569025846 /nfs/dbraw/zinc/02/58/46/569025846.db2.gz JEVOJXJFNSDYQK-DLBZAZTESA-N 0 0 411.501 1.362 40 0 HDABRN Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 ZINC000575425541 569026881 /nfs/dbraw/zinc/02/68/81/569026881.db2.gz ZRQKLWLQWIJUSA-ROUUACIJSA-N 0 0 409.529 1.652 40 0 HDABRN CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000575426635 569027201 /nfs/dbraw/zinc/02/72/01/569027201.db2.gz XGLJDBNZHPTSOG-AWEZNQCLSA-N 0 0 418.537 1.632 40 0 HDABRN COC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OCc1ccccc1 ZINC000006237920 569051919 /nfs/dbraw/zinc/05/19/19/569051919.db2.gz YKZVGPHNCBVKMC-HSZRJFAPSA-N 0 0 420.421 1.807 40 0 HDABRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1cccs1)N[C@]2(Cc1ccc(O)cc1)C(=O)OC ZINC000229994987 569287243 /nfs/dbraw/zinc/28/72/43/569287243.db2.gz OVMFQWRYXSAZGP-IAGYGMIVSA-N 0 0 414.483 1.874 40 0 HDABRN Cc1cccc(OC[C@@H]2CCCN(C(=O)CN3C(=O)N[C@H]4[C@@H]3N(C)C(=O)N4C)C2)c1 ZINC000248021002 569316090 /nfs/dbraw/zinc/31/60/90/569316090.db2.gz MFSZFGGTXXVDJA-ATZDWAIDSA-N 0 0 415.494 1.287 40 0 HDABRN Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCOc4ccccc43)C2)cnn1C ZINC000248068657 569316117 /nfs/dbraw/zinc/31/61/17/569316117.db2.gz WVFPMNQISKESFF-WBVHZDCISA-N 0 0 418.519 1.769 40 0 HDABRN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)[C@@H]3C1=O ZINC000248138910 569316406 /nfs/dbraw/zinc/31/64/06/569316406.db2.gz PNEAVYGCPZHBQC-MXBGAEMTSA-N 0 0 424.476 1.955 40 0 HDABRN COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 ZINC000008036771 569338918 /nfs/dbraw/zinc/33/89/18/569338918.db2.gz RZBFKGYYOAEMKS-HNNXBMFYSA-N 0 0 411.414 1.370 40 0 HDABRN Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000008038430 569338999 /nfs/dbraw/zinc/33/89/99/569338999.db2.gz LHSXQDOEPGMVLC-QGZVFWFLSA-N 0 0 409.442 1.979 40 0 HDABRN CCc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 ZINC000010283019 569343255 /nfs/dbraw/zinc/34/32/55/569343255.db2.gz AEXSZQHYDRATND-UHFFFAOYSA-N 0 0 415.515 1.745 40 0 HDABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000010302860 569343332 /nfs/dbraw/zinc/34/33/32/569343332.db2.gz NILZJWADTGBLIB-UHFFFAOYSA-N 0 0 407.467 1.946 40 0 HDABRN C[C@@H]1Cc2cc([C@@H](O)CN3CCN(c4ncccn4)CC3)ccc2N1S(C)(=O)=O ZINC000019497877 569345506 /nfs/dbraw/zinc/34/55/06/569345506.db2.gz PETLRRZIMMTCQS-BEFAXECRSA-N 0 0 417.535 1.043 40 0 HDABRN COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(N4CCCC4)c(F)c2)[C@@H]3C1=O ZINC000019593395 569345751 /nfs/dbraw/zinc/34/57/51/569345751.db2.gz TXJMURGOKIALET-JPAWQOSXSA-N 0 0 415.465 1.793 40 0 HDABRN Cc1nn2c(nccc2[C@@H]2CN(C(=O)C3CCCC3)CCO2)c1CN1CCOCC1 ZINC000019707765 569347931 /nfs/dbraw/zinc/34/79/31/569347931.db2.gz HEQFJMDMRCFIPR-FQEVSTJZSA-N 0 0 413.522 1.960 40 0 HDABRN Cc1nn2c(nccc2[C@@H]2CN(C(=O)c3ccccn3)CCO2)c1CN1CCOCC1 ZINC000019707744 569347981 /nfs/dbraw/zinc/34/79/81/569347981.db2.gz RWETXSAMNCFSCA-FQEVSTJZSA-N 0 0 422.489 1.479 40 0 HDABRN Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713304 569348393 /nfs/dbraw/zinc/34/83/93/569348393.db2.gz VBHIZAWZJPOIEM-DLBZAZTESA-N 0 0 405.520 1.944 40 0 HDABRN CCN(CC)S(=O)(=O)N1CCC(c2nc(CN(C)C(C)=O)cc(NC)n2)CC1 ZINC000019752041 569348764 /nfs/dbraw/zinc/34/87/64/569348764.db2.gz NTYYCCAJTGKMKJ-UHFFFAOYSA-N 0 0 412.560 1.263 40 0 HDABRN Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)ncc1C(=O)N1CCCCC1 ZINC000019763199 569348889 /nfs/dbraw/zinc/34/88/89/569348889.db2.gz YAYYXLWQNUCOQE-KRWDZBQOSA-N 0 0 413.522 1.740 40 0 HDABRN CCOc1c(I)cc([C@@H]2CC(=O)N=C3NC=NN32)cc1OC ZINC000038315003 569351848 /nfs/dbraw/zinc/35/18/48/569351848.db2.gz DLJJBORKKBIOII-JTQLQIEISA-N 0 0 414.203 1.874 40 0 HDABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 ZINC000061238519 569352462 /nfs/dbraw/zinc/35/24/62/569352462.db2.gz PPKAPACXPFZZRP-INIZCTEOSA-N 0 0 416.503 1.622 40 0 HDABRN CCOC(=O)[C@@]1(N)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252515998 569387904 /nfs/dbraw/zinc/38/79/04/569387904.db2.gz PEZCAYNSIYIIAH-GGPKGHCWSA-N 0 0 403.456 1.924 40 0 HDABRN CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc(-c3cncnc3N)no2)cc1 ZINC000035426079 291197654 /nfs/dbraw/zinc/19/76/54/291197654.db2.gz VFUQELCFFPOIDC-HNNXBMFYSA-N 0 0 400.464 1.849 40 0 biogenic,in-vitro HDABRN Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N3CCc4ccccc43)[C@H](O)[C@@H]2O)cc1 ZINC000008624346 291198292 /nfs/dbraw/zinc/19/82/92/291198292.db2.gz OIGWTCHQRUAMFG-YUVXSKOASA-N 0 0 410.470 1.193 40 0 biogenic,in-vitro HDABRN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3Cc4ccccc4C3)C2)C(=O)N1Cc1ccccc1 ZINC000225386558 291201548 /nfs/dbraw/zinc/20/15/48/291201548.db2.gz IIJTYZUMOKOFER-YADHBBJMSA-N 0 0 417.509 1.212 40 0 biogenic,in-vitro HDABRN S=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(-c2ccccn2)nn1)NC1CCCCC1 ZINC000005396113 291201837 /nfs/dbraw/zinc/20/18/37/291201837.db2.gz DZNOLWGDCXAVIB-INDMIFKZSA-N 0 0 414.535 1.844 40 0 biogenic,in-vitro HDABRN CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000012087388 132353603 /nfs/dbraw/zinc/35/36/03/132353603.db2.gz NNSVJOGFPYOZFE-UHFFFAOYSA-N 0 0 418.523 1.613 40 0 HDABRN CCOCc1nn2c(nc(COC(=O)CNC(=O)c3ccccc3)cc2=O)s1 ZINC000041077330 520219079 /nfs/dbraw/zinc/21/90/79/520219079.db2.gz NEOQXMMQKGZJBE-UHFFFAOYSA-N 0 0 402.432 1.161 40 0 HDABRN CCC[C@H](C)[C@]1(CC)C(=O)N=C(S[C@H]2CS(=O)(=O)C[C@H]2OC(C)=O)NC1=O ZINC000245380975 521068538 /nfs/dbraw/zinc/06/85/38/521068538.db2.gz YHYGEDVIEBIQKQ-UHTWSYAYSA-N 0 0 418.537 1.293 40 0 HDABRN CCCn1c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2sc1=O ZINC000225722721 521637131 /nfs/dbraw/zinc/63/71/31/521637131.db2.gz YATGAEMQCNFZRY-UHFFFAOYSA-N 0 0 413.521 1.936 40 0 HDABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000044843129 522223549 /nfs/dbraw/zinc/22/35/49/522223549.db2.gz CIFJZFWQXSSUOX-HUUCEWRRSA-N 0 0 410.540 1.672 40 0 HDABRN COCC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(OC)cc3)[C@@H]2CO)cc1 ZINC000072321338 522785473 /nfs/dbraw/zinc/78/54/73/522785473.db2.gz OEDAFCHQKOEVSH-DENIHFKCSA-N 0 0 414.458 1.741 40 0 biogenic,in-vitro HDABRN CN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)nc2ccccc21 ZINC000019754094 522877151 /nfs/dbraw/zinc/87/71/51/522877151.db2.gz FAYZZHIZCHCRAB-FQEVSTJZSA-N 0 0 423.473 1.246 40 0 HDABRN COc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 ZINC000032615464 524531281 /nfs/dbraw/zinc/53/12/81/524531281.db2.gz AKMMMUMTHFJPGT-UHFFFAOYSA-N 0 0 417.425 1.600 40 0 HDABRN COc1ccc(Nc2nc(N[C@H]3CCS(=O)(=O)C3)nc(N3CCOCC3)n2)cc1 ZINC000032603935 524720485 /nfs/dbraw/zinc/72/04/85/524720485.db2.gz PATCOPZUJCFYQJ-AWEZNQCLSA-N 0 0 420.495 1.059 40 0 HDABRN COc1ccc([C@H]2NC3=NCN(CCO)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960337 525427579 /nfs/dbraw/zinc/42/75/79/525427579.db2.gz JWLWOKVABGOMKP-IBGZPJMESA-N 0 0 408.462 1.589 40 0 HDABRN Cc1c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000045865989 525872130 /nfs/dbraw/zinc/87/21/30/525872130.db2.gz VEDZYNVJBFWMQV-UHFFFAOYSA-N 0 0 421.500 1.689 40 0 HDABRN Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)NC2=O ZINC000072327905 526173886 /nfs/dbraw/zinc/17/38/86/526173886.db2.gz UESVDNNOMHEMPN-VVBPWWLESA-N 0 0 414.506 1.543 40 0 HDABRN COc1ccccc1N1CCN(C(=O)CN2CCC(O)(c3nccn3C)CC2)CC1 ZINC000012114527 537064994 /nfs/dbraw/zinc/06/49/94/537064994.db2.gz IEMHFXMKIYFJFR-UHFFFAOYSA-N 0 0 413.522 1.061 40 0 HDABRN CCOC(=O)c1ccc(N2C(=O)C=C(N3CCN(C(=O)OCC)CC3)C2=O)cc1 ZINC000001441855 557264589 /nfs/dbraw/zinc/26/45/89/557264589.db2.gz MOSRCJOCZZFOJX-UHFFFAOYSA-N 0 0 401.419 1.395 40 0 HDABRN CCN1CCN(C(=O)N[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001447089 557266563 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ZINC000004162153 560602134 /nfs/dbraw/zinc/60/21/34/560602134.db2.gz USJILMLWOGUTEN-UHFFFAOYSA-N 0 0 403.464 1.019 40 0 HDABRN CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2c1c(=O)n(C)c(=O)n2C ZINC000004162169 560602216 /nfs/dbraw/zinc/60/22/16/560602216.db2.gz AOHJQYJWFUQGLU-UHFFFAOYSA-N 0 0 416.459 1.200 40 0 HDABRN CC1(C)O[C@H]2[C@H](O1)O[C@@H](C(=O)NCC(=O)Nc1ccccc1)[C@H]1OC(C)(C)O[C@H]21 ZINC000004263655 560603221 /nfs/dbraw/zinc/60/32/21/560603221.db2.gz VLMQBLQREDZTPU-UJHHCITNSA-N 0 0 406.435 1.138 40 0 HDABRN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(C)c2)n(C)c1=O ZINC000004386375 560605556 /nfs/dbraw/zinc/60/55/56/560605556.db2.gz YFPOKGHPQOSPKN-UHFFFAOYSA-N 0 0 423.473 1.935 40 0 HDABRN COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000004354091 560605940 /nfs/dbraw/zinc/60/59/40/560605940.db2.gz XGNQGGMOLRKSFO-UHFFFAOYSA-N 0 0 412.425 1.884 40 0 HDABRN COC(=O)C1=C(N)Oc2ccccc2[C@@]12c1c(c3ccccc3oc1=O)N(C)C2=O ZINC000004517091 560608092 /nfs/dbraw/zinc/60/80/92/560608092.db2.gz AKUVIOOPJFZFCY-JOCHJYFZSA-N 0 0 404.378 1.791 40 0 HDABRN O=C(CCC(=O)N(CC(=O)NCc1ccco1)C[C@@H]1CCCO1)Nc1nccs1 ZINC000004848415 560610174 /nfs/dbraw/zinc/61/01/74/560610174.db2.gz BCRDIAOQWIANRO-HNNXBMFYSA-N 0 0 420.491 1.779 40 0 HDABRN C[C@@H](Oc1ccc(S(=O)(=O)NCc2cccnc2)cc1)C(=O)N1CCOCC1 ZINC000004935577 560615698 /nfs/dbraw/zinc/61/56/98/560615698.db2.gz IXMDFXIXVHPOSQ-OAHLLOKOSA-N 0 0 405.476 1.186 40 0 HDABRN CCOC(=O)C1=C(CSc2ncnn2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000005018440 560623607 /nfs/dbraw/zinc/62/36/07/560623607.db2.gz FUSJQGHUENCYLP-OAHLLOKOSA-N 0 0 403.464 1.787 40 0 HDABRN COCCCNC(=O)Cn1c2ccsc2c(=O)n(CCc2ccccc2)c1=O ZINC000006679384 560633502 /nfs/dbraw/zinc/63/35/02/560633502.db2.gz UNOOTNAJDBYKBV-UHFFFAOYSA-N 0 0 401.488 1.620 40 0 HDABRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000408974791 560660018 /nfs/dbraw/zinc/66/00/18/560660018.db2.gz GZVIYBRHAMNAEF-APYUEPQZSA-N 0 0 411.195 1.487 40 0 HDABRN O=C(CNS(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409087327 560674878 /nfs/dbraw/zinc/67/48/78/560674878.db2.gz YICINVDWQVPKTC-UHFFFAOYSA-N 0 0 417.487 1.038 40 0 HDABRN CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC ZINC000409190741 560689241 /nfs/dbraw/zinc/68/92/41/560689241.db2.gz VULNHYNDWJGGKK-IZZDOVSWSA-N 0 0 413.224 1.922 40 0 HDABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000409393789 560719516 /nfs/dbraw/zinc/71/95/16/560719516.db2.gz YCRQHCVDAVAALF-INIZCTEOSA-N 0 0 423.535 1.128 40 0 HDABRN COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409389708 560720506 /nfs/dbraw/zinc/72/05/06/560720506.db2.gz IMIXPAHHWVIFIC-ZDUSSCGKSA-N 0 0 408.476 1.696 40 0 HDABRN CCN1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000101446260 560728793 /nfs/dbraw/zinc/72/87/93/560728793.db2.gz PQLUAEQPHWFAQG-PUZFROQSSA-N 0 0 414.550 1.503 40 0 HDABRN CCc1nnc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)s1 ZINC000006198382 560740109 /nfs/dbraw/zinc/74/01/09/560740109.db2.gz IHFNSHYBVHZSMD-UHFFFAOYSA-N 0 0 423.524 1.159 40 0 HDABRN COc1cc(Cl)c([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc1OC ZINC000588225133 560742778 /nfs/dbraw/zinc/74/27/78/560742778.db2.gz SPZRUBGKWBHHJV-KRWDZBQOSA-N 0 0 416.890 1.863 40 0 HDABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cccnc3)N2N1 ZINC000588227535 560743475 /nfs/dbraw/zinc/74/34/75/560743475.db2.gz XREWWTZKQIBUSG-CQSZACIVSA-N 0 0 402.277 1.350 40 0 HDABRN CSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccccc3Br)N2N1 ZINC000588227664 560743498 /nfs/dbraw/zinc/74/34/98/560743498.db2.gz RQBFLJUOZFEJMS-OAHLLOKOSA-N 0 0 401.289 1.955 40 0 HDABRN COc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 ZINC000006571091 560744181 /nfs/dbraw/zinc/74/41/81/560744181.db2.gz BFUREUNGKAFYRQ-INIZCTEOSA-N 0 0 403.504 1.711 40 0 HDABRN O=CN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000010283928 560766478 /nfs/dbraw/zinc/76/64/78/560766478.db2.gz XTISGUSPIAIVHY-UHFFFAOYSA-N 0 0 421.906 1.836 40 0 HDABRN COC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000010542082 560770174 /nfs/dbraw/zinc/77/01/74/560770174.db2.gz QTYRJBMQYPBDGY-LBPRGKRZSA-N 0 0 402.900 1.906 40 0 HDABRN COc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 ZINC000113939670 560806470 /nfs/dbraw/zinc/80/64/70/560806470.db2.gz HNFDILFODVHSCX-UHFFFAOYSA-N 0 0 406.460 1.977 40 0 HDABRN CCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000014401310 560845153 /nfs/dbraw/zinc/84/51/53/560845153.db2.gz JNUBWYRGYLQERS-UHFFFAOYSA-N 0 0 406.416 1.939 40 0 HDABRN CN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000019082498 560871804 /nfs/dbraw/zinc/87/18/04/560871804.db2.gz JJOACXRVRDWZMY-LKTVYLICSA-N 0 0 420.539 1.907 40 0 HDABRN Cc1cccc(OC[C@@H]2CCCN(C(=O)CN3C(=O)N[C@@H]4[C@H]3N(C)C(=O)N4C)C2)c1 ZINC000019235158 560872200 /nfs/dbraw/zinc/87/22/00/560872200.db2.gz MFSZFGGTXXVDJA-MNEFBYGVSA-N 0 0 415.494 1.287 40 0 HDABRN COCCn1nnnc1[C@H](c1cccnc1)N1CCN(c2ccccc2OC)CC1 ZINC000019594139 560875342 /nfs/dbraw/zinc/87/53/42/560875342.db2.gz NISTVHRKDJKNER-FQEVSTJZSA-N 0 0 409.494 1.635 40 0 HDABRN Cc1nn(Cc2noc(C(=O)NCCNC(=O)c3ccccc3)n2)c(C)c1Cl ZINC000021454891 560886190 /nfs/dbraw/zinc/88/61/90/560886190.db2.gz YDJZBXJDAATWRW-UHFFFAOYSA-N 0 0 402.842 1.744 40 0 HDABRN CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1cccc(C)c1 ZINC000004808514 568420995 /nfs/dbraw/zinc/42/09/95/568420995.db2.gz KOOBEYTUFNNDQD-QYZOEREBSA-N 0 0 423.418 1.292 40 0 HDABRN COc1ccc([C@H]2NC3=NCN(n4cnnc4)CN3c3nc4ccccc4n32)cc1 ZINC000020556202 568455990 /nfs/dbraw/zinc/45/59/90/568455990.db2.gz NDANLQBBVACWFO-SFHVURJKSA-N 0 0 401.434 1.516 40 0 HDABRN COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000022274477 568477652 /nfs/dbraw/zinc/47/76/52/568477652.db2.gz WIBSBTOLKONAGT-UHFFFAOYSA-N 0 0 420.487 1.758 40 0 HDABRN COc1cc(OC)cc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000218892997 568484935 /nfs/dbraw/zinc/48/49/35/568484935.db2.gz QPKBAEJPSZEFNC-UHFFFAOYSA-N 0 0 420.487 1.922 40 0 HDABRN CN(CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 ZINC000219271626 568488732 /nfs/dbraw/zinc/48/87/32/568488732.db2.gz MOGIBJIPEBHTQD-IBGZPJMESA-N 0 0 403.504 1.856 40 0 HDABRN CS(=O)(=O)c1snnc1[C@H]1CCCN(C(=O)c2ccc3nsnc3c2)C1 ZINC000057742351 568495560 /nfs/dbraw/zinc/49/55/60/568495560.db2.gz BBCZWGOLMBNJMU-JTQLQIEISA-N 0 0 409.518 1.966 40 0 HDABRN CCN1c2ncccc2C(=O)NC12CCN(C(=O)C[C@H]1NC(=O)c3ccccc31)CC2 ZINC000057731230 568496373 /nfs/dbraw/zinc/49/63/73/568496373.db2.gz FOKBHRRVQLNYGH-GOSISDBHSA-N 0 0 419.485 1.845 40 0 HDABRN Cc1ccc(N([C@H](C)C(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1Cl ZINC000220366287 568505268 /nfs/dbraw/zinc/50/52/68/568505268.db2.gz SSAFSLHEBDWDHV-OAHLLOKOSA-N 0 0 417.959 1.641 40 0 HDABRN CC[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220651284 568507978 /nfs/dbraw/zinc/50/79/78/568507978.db2.gz JWMVVFQZSJNUCY-KRWDZBQOSA-N 0 0 405.476 1.977 40 0 HDABRN CCOc1ccc(N([C@@H](CC)C(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000220675094 568508362 /nfs/dbraw/zinc/50/83/62/568508362.db2.gz CYNPIRASSKBHON-SFHVURJKSA-N 0 0 413.540 1.078 40 0 HDABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)n2)c1 ZINC000222608163 568520396 /nfs/dbraw/zinc/52/03/96/568520396.db2.gz BDDXVYXPGMVCID-CQSZACIVSA-N 0 0 408.480 1.375 40 0 HDABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000222739249 568525164 /nfs/dbraw/zinc/52/51/64/568525164.db2.gz DNCHZPBWGWBFFZ-QGZVFWFLSA-N 0 0 417.531 1.612 40 0 HDABRN COc1ccc(CCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000222857564 568528609 /nfs/dbraw/zinc/52/86/09/568528609.db2.gz AMJYFVYERUIBNE-UHFFFAOYSA-N 0 0 424.494 1.963 40 0 HDABRN COc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1OC ZINC000223125494 568538449 /nfs/dbraw/zinc/53/84/49/568538449.db2.gz GZKSOPGSFGEOEZ-UHFFFAOYSA-N 0 0 419.522 1.395 40 0 HDABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O ZINC000223329170 568545360 /nfs/dbraw/zinc/54/53/60/568545360.db2.gz CIGUWCXKUIYFIH-HXUWFJFHSA-N 0 0 417.531 1.784 40 0 HDABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223537319 568551157 /nfs/dbraw/zinc/55/11/57/568551157.db2.gz ZMMRXFJAZCAIJJ-YTQUADARSA-N 0 0 411.502 1.881 40 0 HDABRN COc1ccc(OCCNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1 ZINC000223645222 568554725 /nfs/dbraw/zinc/55/47/25/568554725.db2.gz BFODXKOMBDGYSM-UHFFFAOYSA-N 0 0 408.476 1.665 40 0 HDABRN COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 ZINC000223656444 568555136 /nfs/dbraw/zinc/55/51/36/568555136.db2.gz RYZRSBUXDIXZCX-UHFFFAOYSA-N 0 0 408.476 1.665 40 0 HDABRN COc1cccc(OCCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000223673897 568555751 /nfs/dbraw/zinc/55/57/51/568555751.db2.gz VNENRISEKIKYQW-UHFFFAOYSA-N 0 0 422.503 1.973 40 0 HDABRN Cc1ccc(-c2noc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000223777070 568558737 /nfs/dbraw/zinc/55/87/37/568558737.db2.gz OCMMWEUHSHSWNU-UHFFFAOYSA-N 0 0 407.473 1.927 40 0 HDABRN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC000223809484 568559604 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/nfs/dbraw/zinc/81/32/53/558813253.db2.gz ZMZKQRMJQOPOSQ-UHFFFAOYSA-N 0 0 413.499 1.960 40 0 HDABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000038756497 558814817 /nfs/dbraw/zinc/81/48/17/558814817.db2.gz XJMSAPJAOOXMPI-SFHVURJKSA-N 0 0 417.487 1.991 40 0 HDABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)c(F)c1 ZINC000038828219 558815732 /nfs/dbraw/zinc/81/57/32/558815732.db2.gz ITAOABCNJKTJHW-LLVKDONJSA-N 0 0 401.398 1.119 40 0 HDABRN O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019014991 558837043 /nfs/dbraw/zinc/83/70/43/558837043.db2.gz OFVMVIMDUXHCIK-SJORKVTESA-N 0 0 400.479 1.710 40 0 HDABRN CC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)c2cnn(-c3ccccc3)c2N)CC1 ZINC000019016746 558837107 /nfs/dbraw/zinc/83/71/07/558837107.db2.gz GZUDCCTUUPZCLA-IBGZPJMESA-N 0 0 409.490 1.887 40 0 HDABRN Cc1ncc2c(n1)[C@]1(CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C1)OCC2 ZINC000019287431 558861026 /nfs/dbraw/zinc/86/10/26/558861026.db2.gz BVWWXNQVBYUYDR-HXUWFJFHSA-N 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CCC(CC)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(S(=O)(=O)CC)C2 ZINC000019500192 558898316 /nfs/dbraw/zinc/89/83/16/558898316.db2.gz SJNAUNHGNAQZBZ-QGZVFWFLSA-N 0 0 424.567 1.968 40 0 HDABRN CCn1nc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c1C ZINC000019523731 558904915 /nfs/dbraw/zinc/90/49/15/558904915.db2.gz XTWKAHAOENJLDU-CJNGLKHVSA-N 0 0 422.555 1.531 40 0 HDABRN CCN1CCN(C(=O)CN2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)CC1 ZINC000019527856 558909151 /nfs/dbraw/zinc/90/91/51/558909151.db2.gz IMERLUJWSLKSNC-UHFFFAOYSA-N 0 0 401.507 1.543 40 0 HDABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cn2cncn2)C1 ZINC000019528946 558910421 /nfs/dbraw/zinc/91/04/21/558910421.db2.gz HMWVCNPESXXZRQ-HSZRJFAPSA-N 0 0 418.501 1.938 40 0 HDABRN Cc1ncc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)c(C)n1 ZINC000019552408 558915808 /nfs/dbraw/zinc/91/58/08/558915808.db2.gz QEIGUHSFJARKSN-UHFFFAOYSA-N 0 0 407.478 1.811 40 0 HDABRN Cc1c(C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)cnn1C 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0 0 400.460 1.877 40 0 HDABRN COc1cccc(N2C[C@H](NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2=O)c1 ZINC000019565794 558925721 /nfs/dbraw/zinc/92/57/21/558925721.db2.gz YEENPKAPTBRLKF-OAHLLOKOSA-N 0 0 407.426 1.884 40 0 HDABRN CS(=O)(=O)N1CCc2nc([C@H]3CCN(C(=O)CCC4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019572777 558930934 /nfs/dbraw/zinc/93/09/34/558930934.db2.gz IYTZVZBIBZLMNF-HNNXBMFYSA-N 0 0 422.551 1.374 40 0 HDABRN CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCCCN3C(=O)C[C@H]3C=CCC3)nc2C1 ZINC000019572860 558931152 /nfs/dbraw/zinc/93/11/52/558931152.db2.gz ZYXKOCVPPCPSDQ-YOEHRIQHSA-N 0 0 420.535 1.498 40 0 HDABRN CS(=O)(=O)c1snnc1C1CCN(Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019573289 558931506 /nfs/dbraw/zinc/93/15/06/558931506.db2.gz ATQZJLNMXWRTAQ-UHFFFAOYSA-N 0 0 408.553 1.711 40 0 HDABRN Cc1nn(C)c(C)c1[C@H](C)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000019577653 558933510 /nfs/dbraw/zinc/93/35/10/558933510.db2.gz WYBDHBHRNWSWMZ-LBPRGKRZSA-N 0 0 422.507 1.354 40 0 HDABRN Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000019577812 558933562 /nfs/dbraw/zinc/93/35/62/558933562.db2.gz CGMIZNHPVTWGOR-UHFFFAOYSA-N 0 0 403.508 1.581 40 0 HDABRN C[C@H](C(=O)N1CC[C@@H](O)[C@H](C)C1)N1CC[C@@]2(CCC1=O)Nc1ccccc1C(=O)N2 ZINC000072327994 558934306 /nfs/dbraw/zinc/93/43/06/558934306.db2.gz KRJCSPDSGSSGMN-BDDLKOOFSA-N 0 0 414.506 1.169 40 0 HDABRN COc1ccccc1CC(=O)N1C[C@@H](C(=O)N(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000019581144 558936899 /nfs/dbraw/zinc/93/68/99/558936899.db2.gz WXKAYHMHBGTNPA-YADARESESA-N 0 0 421.497 1.509 40 0 HDABRN CCN(CC)C(=O)c1cnc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc1C ZINC000072345504 558942091 /nfs/dbraw/zinc/94/20/91/558942091.db2.gz YVMHGMJRJSHACB-MRXNPFEDSA-N 0 0 420.539 1.916 40 0 HDABRN COc1ccccc1C(=O)N1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 ZINC000019655112 558948406 /nfs/dbraw/zinc/94/84/06/558948406.db2.gz MMCVMDVZBNHHDQ-UHFFFAOYSA-N 0 0 420.473 1.642 40 0 HDABRN Cc1ccc(-c2nnn(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)n2)cc1 ZINC000019655274 558948672 /nfs/dbraw/zinc/94/86/72/558948672.db2.gz BAJSBUGRFDQWTB-UHFFFAOYSA-N 0 0 412.475 1.827 40 0 HDABRN Cc1nn(C)cc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(C)nc2C)CC1 ZINC000019655443 558948849 /nfs/dbraw/zinc/94/88/49/558948849.db2.gz YEEAXSHOTWSAKG-LBPRGKRZSA-N 0 0 408.528 1.049 40 0 HDABRN Cc1nn(C)cc1-c1csc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000019659913 558951080 /nfs/dbraw/zinc/95/10/80/558951080.db2.gz KGZSTQCIGZBEEM-UHFFFAOYSA-N 0 0 417.472 1.635 40 0 HDABRN O=C(NCC1(c2ccccc2Cl)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000019661437 558952448 /nfs/dbraw/zinc/95/24/48/558952448.db2.gz UEPPWWAFLMAPEI-ZDUSSCGKSA-N 0 0 423.922 1.653 40 0 HDABRN C[C@]1(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)CC(=O)N2C=CC=CC2=N1 ZINC000019664580 558955045 /nfs/dbraw/zinc/95/50/45/558955045.db2.gz ZGQSQVUSPUNIIB-HXUWFJFHSA-N 0 0 414.487 1.810 40 0 HDABRN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCN(C(=O)COCCN3CCCC3=O)C2)n1 ZINC000072374694 558962458 /nfs/dbraw/zinc/96/24/58/558962458.db2.gz PECPEVSGXNEEBN-INIZCTEOSA-N 0 0 424.505 1.384 40 0 HDABRN COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(CC(=O)N2CCC2)CCO1 ZINC000019697528 558965118 /nfs/dbraw/zinc/96/51/18/558965118.db2.gz FKFUMWIZJQQMLF-MRXNPFEDSA-N 0 0 417.531 1.883 40 0 HDABRN CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)NCCC(=O)N3CCCCC3)cn2)C1 ZINC000019706025 558968516 /nfs/dbraw/zinc/96/85/16/558968516.db2.gz NQYFJAXFNNFRCQ-QGZVFWFLSA-N 0 0 422.551 1.353 40 0 HDABRN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1cc(C(=O)N2CCOCC2)n[nH]1 ZINC000072380681 558968773 /nfs/dbraw/zinc/96/87/73/558968773.db2.gz YKDRMUMIFZQBFP-SFHVURJKSA-N 0 0 401.467 1.783 40 0 HDABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C(C)(C)O)CCO1 ZINC000072389080 558969571 /nfs/dbraw/zinc/96/95/71/558969571.db2.gz NAUMJIKIJSLAQZ-HSZRJFAPSA-N 0 0 411.502 1.748 40 0 HDABRN Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 ZINC000019708091 558970116 /nfs/dbraw/zinc/97/01/16/558970116.db2.gz QQUNUVLLNVHQRC-UHFFFAOYSA-N 0 0 419.551 1.843 40 0 HDABRN Cc1noc(C)c1CCNC(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 ZINC000019708243 558970398 /nfs/dbraw/zinc/97/03/98/558970398.db2.gz NVQYHJAUHSWPAR-UHFFFAOYSA-N 0 0 406.508 1.798 40 0 HDABRN Cn1ccnc1-c1nn(CCNC(=O)[C@H]2CC(=O)N(C)C2)cc1-c1ccc(F)cc1 ZINC000072391167 558971186 /nfs/dbraw/zinc/97/11/86/558971186.db2.gz ATOCXNZOYMBAAY-HNNXBMFYSA-N 0 0 410.453 1.684 40 0 HDABRN CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)[nH]c2=O)C1 ZINC000072399114 558976611 /nfs/dbraw/zinc/97/66/11/558976611.db2.gz BQQCLFREWCQMGF-FRFSOERESA-N 0 0 422.551 1.576 40 0 HDABRN CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3C[C@@H]3C)[nH]c2=O)C1 ZINC000072399113 558976642 /nfs/dbraw/zinc/97/66/42/558976642.db2.gz BQQCLFREWCQMGF-JLJPHGGASA-N 0 0 422.551 1.576 40 0 HDABRN Cn1c2ncn(CCC(=O)NCC3(c4ccccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000019717263 558979762 /nfs/dbraw/zinc/97/97/62/558979762.db2.gz ZKQODJWDJUKFHH-UHFFFAOYSA-N 0 0 415.881 1.325 40 0 HDABRN COc1nn(Cc2cc(=O)[nH]c(NCCc3ccncc3)n2)c(=O)c2ccccc21 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568821154 /nfs/dbraw/zinc/82/11/54/568821154.db2.gz GZAAKDDSVCEMKL-KRWDZBQOSA-N 0 0 417.462 1.797 40 0 HDABRN Cc1ccc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCNC(=O)c2cnccn2)cc1 ZINC000306124050 568887052 /nfs/dbraw/zinc/88/70/52/568887052.db2.gz BEFLGKXHTOUEJN-INIZCTEOSA-N 0 0 416.503 1.385 40 0 HDABRN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4ccn(C)n4)C[C@@H]2C3)cc1 ZINC000306124384 568887525 /nfs/dbraw/zinc/88/75/25/568887525.db2.gz BOAIOXQOJRSBIW-KBPBESRZSA-N 0 0 421.461 1.217 40 0 HDABRN COc1cccc(CNC(=O)c2cn3c(nc2=O)C[C@]2(CCN(C(=O)C(C)C)C2)C3)c1 ZINC000306125436 568888071 /nfs/dbraw/zinc/88/80/71/568888071.db2.gz CQUHQEWKQJELTK-QHCPKHFHSA-N 0 0 424.501 1.613 40 0 HDABRN Cc1cccc(S(=O)(=O)N2CCC3(C[C@H](CNC(=O)c4nccn4C)O3)CC2)c1 ZINC000306125445 568888124 /nfs/dbraw/zinc/88/81/24/568888124.db2.gz CREGIFJSCIXLGB-MRXNPFEDSA-N 0 0 418.519 1.471 40 0 HDABRN Cn1nccc1C(=O)N1CCC2(CC1)CN(C)C(=O)c1cnc(N3CCCCC3)nc12 ZINC000306126900 568889651 /nfs/dbraw/zinc/88/96/51/568889651.db2.gz FIKAPZUGAOUOOZ-UHFFFAOYSA-N 0 0 423.521 1.460 40 0 HDABRN CC(C)NC(=O)C1CCN(C2=NO[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]23)CC1 ZINC000306130544 568892876 /nfs/dbraw/zinc/89/28/76/568892876.db2.gz JJBSZXRMJPWJAW-ROUUACIJSA-N 0 0 402.470 1.847 40 0 HDABRN Cc1nc(C(=O)N2C[C@H]3[C@H](C2)N(C(C)C)S(=O)(=O)c2cccnc2N3C)cs1 ZINC000306131252 568893465 /nfs/dbraw/zinc/89/34/65/568893465.db2.gz JZFIVBISYYSVFD-GJZGRUSLSA-N 0 0 421.548 1.589 40 0 HDABRN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306132237 568894404 /nfs/dbraw/zinc/89/44/04/568894404.db2.gz LCKJCZONZULMKQ-QFIPXVFZSA-N 0 0 411.506 1.555 40 0 HDABRN COc1ncccc1CN1CC[C@@]2(C1)Cn1c(nn(C3CCCC3)c(=O)c1=O)CO2 ZINC000306133279 568895281 /nfs/dbraw/zinc/89/52/81/568895281.db2.gz MHFUBCOMKBLJFC-OAQYLSRUSA-N 0 0 413.478 1.099 40 0 HDABRN Cn1cc(C(=O)N2CC[C@]3(C2)COCc2cnc(N4CCC(F)(F)CC4)nc23)cn1 ZINC000306133831 568895899 /nfs/dbraw/zinc/89/58/99/568895899.db2.gz MXKIDXKMKJYCMY-IBGZPJMESA-N 0 0 418.448 1.760 40 0 HDABRN COc1cc(N2CC[C@@]3(C2)CN(C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)ncn1 ZINC000306135622 568897602 /nfs/dbraw/zinc/89/76/02/568897602.db2.gz OWEQDFLVXQLXFM-AVRDEDQJSA-N 0 0 411.506 1.423 40 0 HDABRN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)N4CCCC4)C[C@H]2C3)cc1 ZINC000306136394 568898303 /nfs/dbraw/zinc/89/83/03/568898303.db2.gz PSHSXFGEIRXFHH-CABCVRRESA-N 0 0 410.478 1.859 40 0 HDABRN COCCN1CC[C@]2(CN(C(=O)c3csc(C)n3)C[C@@H]2c2cn(C)cn2)C1=O ZINC000306136770 568898637 /nfs/dbraw/zinc/89/86/37/568898637.db2.gz QCWABCPADLHJAB-AUUYWEPGSA-N 0 0 403.508 1.290 40 0 HDABRN COCCN1CC[C@]2(CN(C(=O)c3csc(C)n3)C[C@H]2c2cn(C)cn2)C1=O ZINC000306136771 568898703 /nfs/dbraw/zinc/89/87/03/568898703.db2.gz QCWABCPADLHJAB-IFXJQAMLSA-N 0 0 403.508 1.290 40 0 HDABRN O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306137279 568899194 /nfs/dbraw/zinc/89/91/94/568899194.db2.gz QRPUEHZIZNIVHM-JOCHJYFZSA-N 0 0 411.506 1.555 40 0 HDABRN Cc1nc(CN2CCO[C@]3(CN(C(=O)N(C)C)C[C@@H]3c3cccnc3)C2=O)cs1 ZINC000306137552 568899323 /nfs/dbraw/zinc/89/93/23/568899323.db2.gz QZNANOUCDVIKGH-XLIONFOSSA-N 0 0 415.519 1.725 40 0 HDABRN Cc1cc(CN2CCC[C@]3(CN(C(=O)c4ccncn4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306139257 568901095 /nfs/dbraw/zinc/90/10/95/568901095.db2.gz STKRFDHANISSDS-IBGZPJMESA-N 0 0 418.448 1.809 40 0 HDABRN O=C(Cc1cccnc1)N1C[C@@H]2ON=C(N3CCN(C(=O)c4ccccc4)CC3)[C@H]2C1 ZINC000306141715 568903239 /nfs/dbraw/zinc/90/32/39/568903239.db2.gz WEOREBODMCMBBL-PMACEKPBSA-N 0 0 419.485 1.253 40 0 HDABRN CN1CC[C@H](COc2ncccc2F)CC12CN(S(=O)(=O)c1cccnc1)C2 ZINC000306143255 568904639 /nfs/dbraw/zinc/90/46/39/568904639.db2.gz XXFSTWGDBHZULB-HNNXBMFYSA-N 0 0 406.483 1.780 40 0 HDABRN O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(C(=O)C3CC3)CC1)COC2 ZINC000306143725 568905248 /nfs/dbraw/zinc/90/52/48/568905248.db2.gz YKOKBGFKRZGDGJ-UHFFFAOYSA-N 0 0 401.511 1.890 40 0 HDABRN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cccn4C)C[C@H]2C3)cc1 ZINC000306143952 568905419 /nfs/dbraw/zinc/90/54/19/568905419.db2.gz YRSCPHKRJIQRQO-HUUCEWRRSA-N 0 0 420.473 1.822 40 0 HDABRN COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(C)c1=O ZINC000057426490 568927852 /nfs/dbraw/zinc/92/78/52/568927852.db2.gz SJCVKMBLDXYRTQ-UHFFFAOYSA-N 0 0 407.835 1.840 40 0 HDABRN COC(=O)c1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](C)CO)n2)cc1OC ZINC000328957630 568969483 /nfs/dbraw/zinc/96/94/83/568969483.db2.gz AKDANFAUZYOHOK-ZDUSSCGKSA-N 0 0 409.446 1.714 40 0 HDABRN COC(=O)c1ccc(OC)c(Nc2cc(-c3cccnc3)nc(NCCCO)n2)c1 ZINC000328988993 568971379 /nfs/dbraw/zinc/97/13/79/568971379.db2.gz IHGUXNNLDGRCHY-UHFFFAOYSA-N 0 0 409.446 1.716 40 0 HDABRN COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N3CCC(=O)CC3)CC2)cc1 ZINC000101497502 569013799 /nfs/dbraw/zinc/01/37/99/569013799.db2.gz KZJUPDULEVRNMF-IYBDPMFKSA-N 0 0 408.520 1.971 40 0 HDABRN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101504865 569013993 /nfs/dbraw/zinc/01/39/93/569013993.db2.gz XSIWBQABSBVJPK-XHSDSOJGSA-N 0 0 414.549 1.075 40 0 HDABRN CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000575424291 569026537 /nfs/dbraw/zinc/02/65/37/569026537.db2.gz UNHGUEOLXCJZNW-XJKSGUPXSA-N 0 0 402.538 1.299 40 0 HDABRN O=S(=O)(Nc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1ccc(Cl)cc1 ZINC000575425239 569026668 /nfs/dbraw/zinc/02/66/68/569026668.db2.gz RSJMBDNVFCUKSH-HOTGVXAUSA-N 0 0 416.908 1.711 40 0 HDABRN O=S(=O)(Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1)c1ccc(F)cc1 ZINC000575425348 569026865 /nfs/dbraw/zinc/02/68/65/569026865.db2.gz YGLFMDPIORTEPP-CVEARBPZSA-N 0 0 400.453 1.196 40 0 HDABRN COc1ccc(S(=O)(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000575425997 569027110 /nfs/dbraw/zinc/02/71/10/569027110.db2.gz KFSFRCCGTOVMLR-DZGCQCFKSA-N 0 0 419.521 1.061 40 0 HDABRN O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000102674614 569041267 /nfs/dbraw/zinc/04/12/67/569041267.db2.gz IKHGREJENLVRRA-QLFBSQMISA-N 0 0 402.476 1.025 40 0 HDABRN O=S(=O)(NCc1nccc(N2CCOCC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000224174993 569053436 /nfs/dbraw/zinc/05/34/36/569053436.db2.gz YIEVNFPXTRHXLF-UHFFFAOYSA-N 0 0 402.398 1.811 40 0 HDABRN CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]12O3 ZINC000245230076 569313822 /nfs/dbraw/zinc/31/38/22/569313822.db2.gz LFXOCEVCVKDGRV-NPABLSHVSA-N 0 0 415.534 1.663 40 0 HDABRN COC(=O)c1ccccc1OC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000004303722 569323062 /nfs/dbraw/zinc/32/30/62/569323062.db2.gz AFMUCRKXGOPAKJ-VTWRMFPLSA-N 0 0 408.403 1.775 40 0 HDABRN CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC000006953377 569335612 /nfs/dbraw/zinc/33/56/12/569335612.db2.gz YIQBXFBRDPKBFG-UHFFFAOYSA-N 0 0 417.531 1.708 40 0 HDABRN COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000006953536 569335657 /nfs/dbraw/zinc/33/56/57/569335657.db2.gz SVSRIIFXPAJWGC-UHFFFAOYSA-N 0 0 407.467 1.461 40 0 HDABRN COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000006953545 569335732 /nfs/dbraw/zinc/33/57/32/569335732.db2.gz FJRVBXQUIIOTMI-UHFFFAOYSA-N 0 0 407.467 1.461 40 0 HDABRN Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)c1 ZINC000008038601 569339028 /nfs/dbraw/zinc/33/90/28/569339028.db2.gz HOEABTVIKVSQDE-OAHLLOKOSA-N 0 0 413.405 1.809 40 0 HDABRN Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 ZINC000008433796 569340956 /nfs/dbraw/zinc/34/09/56/569340956.db2.gz AZYKFNYPUGYLDL-MRXNPFEDSA-N 0 0 409.442 1.979 40 0 HDABRN Cc1cccc(OC[C@@H]2CCCN(C(=O)CN3C(=O)N[C@H]4[C@H]3N(C)C(=O)N4C)C2)c1 ZINC000019235159 569345320 /nfs/dbraw/zinc/34/53/20/569345320.db2.gz MFSZFGGTXXVDJA-LZQZEXGQSA-N 0 0 415.494 1.287 40 0 HDABRN COc1ccc([C@H](NC(=O)CCN2C(=O)N[C@H]3NC(=O)N[C@@H]32)c2ccccc2)cc1 ZINC000019553340 569345629 /nfs/dbraw/zinc/34/56/29/569345629.db2.gz FJZVBHKVEKNANK-GUDVDZBRSA-N 0 0 409.446 1.281 40 0 HDABRN Cn1cnc(S(=O)(=O)N2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)c1 ZINC000019693355 569346433 /nfs/dbraw/zinc/34/64/33/569346433.db2.gz MWKKIDAYDFDABX-HNNXBMFYSA-N 0 0 403.439 1.778 40 0 HDABRN Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3ccccc3F)C2)c1 ZINC000019693352 569346445 /nfs/dbraw/zinc/34/64/45/569346445.db2.gz ITTYXUIPARCNBV-OAHLLOKOSA-N 0 0 403.439 1.778 40 0 HDABRN CNC(=O)c1ccc(-c2ccc([C@@H]3CN(CC(=O)N4CCCC4)CCO3)nc2)cn1 ZINC000019693538 569346468 /nfs/dbraw/zinc/34/64/68/569346468.db2.gz QIDXKWQSHBDOTH-FQEVSTJZSA-N 0 0 409.490 1.499 40 0 HDABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCN(C(=O)Cn3cccnc3=O)C2)n1 ZINC000019695000 569346636 /nfs/dbraw/zinc/34/66/36/569346636.db2.gz DSVFVYUTVXCVCO-MRXNPFEDSA-N 0 0 422.464 1.922 40 0 HDABRN CNC(=O)c1[nH]c(C2CCN(C(=O)CNC(C)=O)CC2)nc1-c1ccc(OC)cc1 ZINC000019698816 569346879 /nfs/dbraw/zinc/34/68/79/569346879.db2.gz VSFRLGFGSZHONJ-UHFFFAOYSA-N 0 0 413.478 1.287 40 0 HDABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cn2cncn2)CC1 ZINC000019700190 569347204 /nfs/dbraw/zinc/34/72/04/569347204.db2.gz NUAGRDNHZCJVJW-UHFFFAOYSA-N 0 0 418.501 1.938 40 0 HDABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000021005516 569349731 /nfs/dbraw/zinc/34/97/31/569349731.db2.gz 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CC(C)Oc1ccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)cc1 ZINC000022401876 558487530 /nfs/dbraw/zinc/48/75/30/558487530.db2.gz MUPUUTYTWAWBBA-UHFFFAOYSA-N 0 0 413.540 1.078 40 0 HDABRN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1 ZINC000022516509 558493902 /nfs/dbraw/zinc/49/39/02/558493902.db2.gz JSTZCELMFCZKAV-UHFFFAOYSA-N 0 0 411.480 1.285 40 0 HDABRN O[C@@H]1c2cc(Br)ccc2OC[C@@]1(CN1CCOCC1)N1CCOCC1 ZINC000022859995 558517428 /nfs/dbraw/zinc/51/74/28/558517428.db2.gz JLFKVUBNGKUVHH-QZTJIDSGSA-N 0 0 413.312 1.278 40 0 HDABRN CCOC(=O)CCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O ZINC000013611432 558548522 /nfs/dbraw/zinc/54/85/22/558548522.db2.gz BEKCXSOXGIFSCI-UHFFFAOYSA-N 0 0 400.479 1.909 40 0 HDABRN O=CN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000013670250 558561698 /nfs/dbraw/zinc/56/16/98/558561698.db2.gz QBORCNOUXLIVRB-UHFFFAOYSA-N 0 0 405.451 1.322 40 0 HDABRN COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000025065608 558630027 /nfs/dbraw/zinc/63/00/27/558630027.db2.gz 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ZINC000012130795 558332555 /nfs/dbraw/zinc/33/25/55/558332555.db2.gz CEFAJDVYOWECNK-JKSUJKDBSA-N 0 0 409.516 1.207 40 0 HDABRN CSc1ccccc1NC(=O)[C@H]1C[C@H](c2cn(C)nc2C)NS(=O)(=O)N1C ZINC000012131274 558332858 /nfs/dbraw/zinc/33/28/58/558332858.db2.gz XZSVRLSEJKPUGG-HUUCEWRRSA-N 0 0 409.537 1.669 40 0 HDABRN CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000012141876 558334682 /nfs/dbraw/zinc/33/46/82/558334682.db2.gz QILDFPAIXGGTMD-QDKUENGFSA-N 0 0 422.485 1.322 40 0 HDABRN COc1cccc(C2(NC(=O)CN3C(=O)N[C@H]4[C@H]3N(C)C(=O)N4C)CCCC2)c1 ZINC000012143103 558335186 /nfs/dbraw/zinc/33/51/86/558335186.db2.gz TUQRLWYKSLPLHD-SJORKVTESA-N 0 0 401.467 1.255 40 0 HDABRN CCc1c(C)sc2ncn(C3CCN(C(=O)CN4CCNC4=O)CC3)c(=O)c12 ZINC000012145463 558336659 /nfs/dbraw/zinc/33/66/59/558336659.db2.gz XMPUPHSHYIJZRN-UHFFFAOYSA-N 0 0 403.508 1.518 40 0 HDABRN Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cc(Cl)ccc2O)=C1 ZINC000012155193 558339789 /nfs/dbraw/zinc/33/97/89/558339789.db2.gz RJDJODONNYEKHH-UHFFFAOYSA-N 0 0 409.855 1.589 40 0 HDABRN COc1ccc(CCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1OC ZINC000012199588 558350903 /nfs/dbraw/zinc/35/09/03/558350903.db2.gz KFMPTVVQNDGBLX-UHFFFAOYSA-N 0 0 418.471 1.878 40 0 HDABRN CCn1c2nc(-c3ccc(C)cc3)nc(C(N)=O)c2n(CC(=O)N2CCCCC2)c1=O ZINC000012251447 558362149 /nfs/dbraw/zinc/36/21/49/558362149.db2.gz MDBDEUDNUGDZMG-UHFFFAOYSA-N 0 0 422.489 1.700 40 0 HDABRN COc1ccc(OCC(=O)N2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc1 ZINC000012258366 558363179 /nfs/dbraw/zinc/36/31/79/558363179.db2.gz APIOXDAEKBIYTN-UHFFFAOYSA-N 0 0 407.430 1.920 40 0 HDABRN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)c(Cl)c1 ZINC000020460981 558372989 /nfs/dbraw/zinc/37/29/89/558372989.db2.gz BSDBQWVKKCRZKA-UHFFFAOYSA-N 0 0 417.915 1.974 40 0 HDABRN CCOC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccccc3F)CC2)=[NH+][C@H]1c1ccco1 ZINC000020636994 558396341 /nfs/dbraw/zinc/39/63/41/558396341.db2.gz HTFTXUZCEGRTOR-MSOLQXFVSA-N 0 0 414.437 1.947 40 0 HDABRN CC(C)CNC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022228106 558467515 /nfs/dbraw/zinc/46/75/15/558467515.db2.gz UZRIBHZAVLSJLS-UHFFFAOYSA-N 0 0 409.552 1.729 40 0 HDABRN Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000022228665 558468152 /nfs/dbraw/zinc/46/81/52/558468152.db2.gz POXZLQXZPMLKEO-UHFFFAOYSA-N 0 0 403.504 1.979 40 0 HDABRN CC[C@H](C)NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022229515 558468384 /nfs/dbraw/zinc/46/83/84/558468384.db2.gz MYXAVKNGQZHIJB-HNNXBMFYSA-N 0 0 409.552 1.871 40 0 HDABRN Cc1ccc(CN(c2ccc(OCC(=O)NCCCO)cc2)S(C)(=O)=O)cc1 ZINC000022231510 558469502 /nfs/dbraw/zinc/46/95/02/558469502.db2.gz XPSVWIKCLJXWGB-UHFFFAOYSA-N 0 0 406.504 1.839 40 0 HDABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C ZINC000022247208 558472497 /nfs/dbraw/zinc/47/24/97/558472497.db2.gz PTDDDOHZEIBOJA-LJQANCHMSA-N 0 0 418.515 1.752 40 0 HDABRN COc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000022333514 558480686 /nfs/dbraw/zinc/48/06/86/558480686.db2.gz IVNPBGBHLJHVEP-UHFFFAOYSA-N 0 0 421.519 1.722 40 0 HDABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1 ZINC000022400547 558487338 /nfs/dbraw/zinc/48/73/38/558487338.db2.gz FBVUZKCRRMWLOA-UHFFFAOYSA-N 0 0 405.476 1.977 40 0 HDABRN Cc1nc2c(c(C(N)=O)n1)n(CC(=O)N1CCCCC1)c(=O)n2-c1ccc(F)cc1 ZINC000013228017 558527242 /nfs/dbraw/zinc/52/72/42/558527242.db2.gz MILFHHQZKFLCHP-UHFFFAOYSA-N 0 0 412.425 1.141 40 0 HDABRN COc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 ZINC000013645921 558556634 /nfs/dbraw/zinc/55/66/34/558556634.db2.gz XKIUCDBLEBDXEF-UHFFFAOYSA-N 0 0 417.487 1.191 40 0 HDABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C=O)CC3)cc2)cc1 ZINC000013671139 558562298 /nfs/dbraw/zinc/56/22/98/558562298.db2.gz VACQMMNULFURKQ-UHFFFAOYSA-N 0 0 417.487 1.435 40 0 HDABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(F)cc1 ZINC000029293947 558712922 /nfs/dbraw/zinc/71/29/22/558712922.db2.gz WVVSVBHEQKRSJQ-UHFFFAOYSA-N 0 0 422.478 1.964 40 0 HDABRN CC(C)(C)NC(=O)CN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000035289250 558789422 /nfs/dbraw/zinc/78/94/22/558789422.db2.gz VXUHXKSPGWQAEE-HNNXBMFYSA-N 0 0 419.478 1.319 40 0 HDABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000038854278 558819271 /nfs/dbraw/zinc/81/92/71/558819271.db2.gz YIDSLIWHMZBIFO-KRWDZBQOSA-N 0 0 410.492 1.405 40 0 HDABRN CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000039985397 558823379 /nfs/dbraw/zinc/82/33/79/558823379.db2.gz FVXDHSXQUUGZLB-UHFFFAOYSA-N 0 0 412.508 1.508 40 0 HDABRN CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000039986763 558824269 /nfs/dbraw/zinc/82/42/69/558824269.db2.gz SICIVWGZIYUPAP-UHFFFAOYSA-N 0 0 411.505 1.292 40 0 HDABRN O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000047266699 558841961 /nfs/dbraw/zinc/84/19/61/558841961.db2.gz UIPHRLGPLKGFAA-UHFFFAOYSA-N 0 0 404.488 1.769 40 0 HDABRN COc1ccc2c(c1)N[C@H](C1CCN(C(=O)c3cc(C)no3)CC1)NS2(=O)=O ZINC000019119688 558842737 /nfs/dbraw/zinc/84/27/37/558842737.db2.gz UYDMEJARBKZDOW-KRWDZBQOSA-N 0 0 406.464 1.574 40 0 HDABRN COc1cc(CN2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)cc(OC)c1OC ZINC000019131683 558845507 /nfs/dbraw/zinc/84/55/07/558845507.db2.gz PRPCXGWXUUDXTP-UHFFFAOYSA-N 0 0 415.490 1.678 40 0 HDABRN Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCN4CCOCC4)C3)c2N)cc1 ZINC000019213201 558849043 /nfs/dbraw/zinc/84/90/43/558849043.db2.gz VKGKHOYFTMUHTD-QGZVFWFLSA-N 0 0 411.506 1.516 40 0 HDABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CNC(=O)c3cncc(O)c3)CC1)O2 ZINC000019218210 558851003 /nfs/dbraw/zinc/85/10/03/558851003.db2.gz ISUKIBKPDMMCKT-UHFFFAOYSA-N 0 0 409.442 1.852 40 0 HDABRN Cc1ccccc1C1=NO[C@H](CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)C1 ZINC000019236956 558856231 /nfs/dbraw/zinc/85/62/31/558856231.db2.gz HKICQERPJLKMAP-IRXDYDNUSA-N 0 0 420.531 1.978 40 0 HDABRN Cc1cnc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cn1 ZINC000019238805 558857463 /nfs/dbraw/zinc/85/74/63/558857463.db2.gz KOSWGFIWEMHFPE-HTAPYJJXSA-N 0 0 407.474 1.107 40 0 HDABRN Cc1nccn1C[C@@H](C)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019287671 558860959 /nfs/dbraw/zinc/86/09/59/558860959.db2.gz BNLZTWDNFHJZFZ-CQSZACIVSA-N 0 0 423.521 1.931 40 0 HDABRN Cn1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc2oc1=O ZINC000019289852 558862339 /nfs/dbraw/zinc/86/23/39/558862339.db2.gz VSEPDKKTZZSACE-SFHVURJKSA-N 0 0 417.487 1.483 40 0 HDABRN COc1cccc(OC)c1OCC(=O)N1CCC(C(=O)c2cn(C)nc2N)CC1 ZINC000019290248 558862846 /nfs/dbraw/zinc/86/28/46/558862846.db2.gz GYYSFHBHDJHASH-UHFFFAOYSA-N 0 0 402.451 1.520 40 0 HDABRN CC(=O)O[C@H]1C[C@H]2[C@@H](C)C(=O)[C@@]3([C@@H]2O)[C@H](O)C[C@@H]2[C@@]4(C)CCC[C@@]2([C@H](O)OC4)[C@H]13 ZINC000068564903 558863474 /nfs/dbraw/zinc/86/34/74/558863474.db2.gz RHGQKRMAWKEUJE-SBJHZSPXSA-N 0 0 408.491 1.026 40 0 HDABRN O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CC1)CC2 ZINC000019337612 558870500 /nfs/dbraw/zinc/87/05/00/558870500.db2.gz CZMWZLMYRNDGII-GOSISDBHSA-N 0 0 407.474 1.827 40 0 HDABRN O=C(Cc1ccc2c(c1)OCCO2)N1CCC[C@H]1Cn1nnc(-c2ccncc2)n1 ZINC000019345673 558873205 /nfs/dbraw/zinc/87/32/05/558873205.db2.gz DWKDDLUKIBFOFT-KRWDZBQOSA-N 0 0 406.446 1.740 40 0 HDABRN O=S(=O)(CCOc1ccccc1)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019373554 558880787 /nfs/dbraw/zinc/88/07/87/558880787.db2.gz WQQNOTAMWUZUCJ-KRWDZBQOSA-N 0 0 416.459 1.914 40 0 HDABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449984 558888464 /nfs/dbraw/zinc/88/84/64/558888464.db2.gz HRQKJMRHCHWQQF-HZPDHXFCSA-N 0 0 409.494 1.247 40 0 HDABRN C[C@H](CN1CCOCC1)C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019456221 558892158 /nfs/dbraw/zinc/89/21/58/558892158.db2.gz WXBGNPRQUYMVEN-OAHLLOKOSA-N 0 0 415.490 1.407 40 0 HDABRN C[C@@H](C(=O)NCCn1nc(-c2cccs2)oc1=O)c1n[nH]c(=O)c2ccccc21 ZINC000019458052 558892443 /nfs/dbraw/zinc/89/24/43/558892443.db2.gz LMECKQRJDUNJNY-LLVKDONJSA-N 0 0 411.443 1.721 40 0 HDABRN C[C@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 ZINC000019459691 558893235 /nfs/dbraw/zinc/89/32/35/558893235.db2.gz BKVAOONPRSVIHZ-RBZFPXEDSA-N 0 0 413.503 1.885 40 0 HDABRN COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(=O)[nH]2)CC1 ZINC000019463214 558894087 /nfs/dbraw/zinc/89/40/87/558894087.db2.gz VPTSBIGKGPXJJT-BHYGNILZSA-N 0 0 416.522 1.484 40 0 HDABRN C[C@@H]1CCCCN1S(=O)(=O)CCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000019496393 558895230 /nfs/dbraw/zinc/89/52/30/558895230.db2.gz MLZRHPLCOGQCOQ-GFCCVEGCSA-N 0 0 422.473 1.711 40 0 HDABRN CCS(=O)(=O)N1CCc2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019520421 558901249 /nfs/dbraw/zinc/90/12/49/558901249.db2.gz SLEBGKKQWNATEA-OAHLLOKOSA-N 0 0 422.551 1.374 40 0 HDABRN CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)c(=O)c12 ZINC000019521811 558902988 /nfs/dbraw/zinc/90/29/88/558902988.db2.gz HQDQLECQKRAZIK-KGLIPLIRSA-N 0 0 402.520 1.971 40 0 HDABRN CCn1cc(CN2CCN(S(=O)(=O)c3cc(C)c(NC(C)=O)cc3C)CC2)cn1 ZINC000019524979 558906225 /nfs/dbraw/zinc/90/62/25/558906225.db2.gz 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420.487 1.964 40 0 HDABRN COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000014571427 558661298 /nfs/dbraw/zinc/66/12/98/558661298.db2.gz UVTNDTZONYWLFZ-QGZVFWFLSA-N 0 0 422.434 1.413 40 0 HDABRN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)cc(OC)c1OC ZINC000015016851 558702429 /nfs/dbraw/zinc/70/24/29/558702429.db2.gz RVEQOPDIWGEUST-GFCCVEGCSA-N 0 0 410.228 1.915 40 0 HDABRN O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000015894226 558761049 /nfs/dbraw/zinc/76/10/49/558761049.db2.gz LFSPHPDMMBRISK-ZDXOVATRSA-N 0 0 419.437 1.409 40 0 biogenic HDABRN CN(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187790 558776376 /nfs/dbraw/zinc/77/63/76/558776376.db2.gz UWPAZWQBSFCOTQ-UHFFFAOYSA-N 0 0 405.520 1.299 40 0 HDABRN CC(=O)N[C@@H]1[C@H](O)[C@H]2O[C@@H](c3ccco3)OC[C@@H]2O[C@H]1Oc1ccc(C(C)=O)cc1 ZINC000035056724 558788197 /nfs/dbraw/zinc/78/81/97/558788197.db2.gz NLFBZPXTFIBIDP-LEKSSAKUSA-N 0 0 417.414 1.566 40 0 HDABRN 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Cc1nn([C@@H](C)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C)c1C ZINC000019556257 558918715 /nfs/dbraw/zinc/91/87/15/558918715.db2.gz ORYIRVSIKVENHK-GUYCJALGSA-N 0 0 422.555 1.320 40 0 HDABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000019557176 558919439 /nfs/dbraw/zinc/91/94/39/558919439.db2.gz NFUQIEMDRJWGGC-HNNXBMFYSA-N 0 0 400.464 1.597 40 0 HDABRN COc1ccc2c(c1)N[C@@H](C1CCN(C(=O)c3oc(C)nc3C)CC1)NS2(=O)=O ZINC000019559266 558920673 /nfs/dbraw/zinc/92/06/73/558920673.db2.gz RRPXTGRMVVGYDH-GOSISDBHSA-N 0 0 420.491 1.882 40 0 HDABRN COc1ccc(NC(=O)CN2c3c(cnn3-c3ccccc3)C3=NCCN3C2=O)cn1 ZINC000019561916 558922809 /nfs/dbraw/zinc/92/28/09/558922809.db2.gz MYPDXEOTUCNXCE-UHFFFAOYSA-N 0 0 417.429 1.917 40 0 HDABRN COc1ccc2c(c1)N[C@H](C1CCN(C(=O)c3cnccn3)CC1)NS2(=O)=O ZINC000019562691 558923140 /nfs/dbraw/zinc/92/31/40/558923140.db2.gz AJMVKOGHHLIWNH-KRWDZBQOSA-N 0 0 403.464 1.068 40 0 HDABRN COc1cccc(NC(=O)CN2CCC(O)(Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000019565870 558925702 /nfs/dbraw/zinc/92/57/02/558925702.db2.gz WOKDRTIRUPNDFK-UHFFFAOYSA-N 0 0 422.485 1.871 40 0 HDABRN CS(=O)(=O)N1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)Cc3ccsc3)nc2C1 ZINC000019572974 558931084 /nfs/dbraw/zinc/93/10/84/558931084.db2.gz BKGFQRCVIYJZTN-HNNXBMFYSA-N 0 0 422.532 1.055 40 0 HDABRN CS(=O)(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)[nH]c2=O)C1 ZINC000019573029 558931303 /nfs/dbraw/zinc/93/13/03/558931303.db2.gz JZZHKSJMPQMNAG-OAHLLOKOSA-N 0 0 422.551 1.374 40 0 HDABRN Cc1nn(C)c(C)c1NC(=O)CN1c2c(cnn2-c2ccccc2)C2=NCCN2C1=O ZINC000019577824 558933810 /nfs/dbraw/zinc/93/38/10/558933810.db2.gz POFURVVWDHSLOT-UHFFFAOYSA-N 0 0 418.461 1.864 40 0 HDABRN Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccc(Cl)c2C)N(C)S(=O)(=O)N1 ZINC000072335120 558936263 /nfs/dbraw/zinc/93/62/63/558936263.db2.gz IMIRWDPEQYOQLR-HZPDHXFCSA-N 0 0 411.915 1.909 40 0 HDABRN CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000072337576 558937786 /nfs/dbraw/zinc/93/77/86/558937786.db2.gz NMGKPEGRDMMBPW-UHFFFAOYSA-N 0 0 403.439 1.687 40 0 HDABRN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)N1CCC(O)(c2cccnc2F)CC1 ZINC000072340052 558938850 /nfs/dbraw/zinc/93/88/50/558938850.db2.gz LLKKCSMZGARLQD-YCRPNKLZSA-N 0 0 406.454 1.922 40 0 HDABRN CN1C(=O)N(C)[C@@H]2[C@H]1NC(=O)N2CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000019587042 558939627 /nfs/dbraw/zinc/93/96/27/558939627.db2.gz QZKZZBXYJISFRH-GJZGRUSLSA-N 0 0 418.454 1.486 40 0 HDABRN COc1ccc(CN(C(=O)CN2C(=O)N[C@H]3[C@@H]2N(C)C(=O)N3C)C2CCCC2)cc1 ZINC000019586998 558939711 /nfs/dbraw/zinc/93/97/11/558939711.db2.gz GJXUCZGNIPHGEP-RTBURBONSA-N 0 0 415.494 1.641 40 0 HDABRN CN1C[C@@H](C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)CC1=O ZINC000019587177 558939905 /nfs/dbraw/zinc/93/99/05/558939905.db2.gz BUEDPAYOYDKLHJ-HNNXBMFYSA-N 0 0 400.504 1.758 40 0 HDABRN CC(C)OC(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)[C@@H]1c1ccc(F)cc1 ZINC000072342747 558940681 /nfs/dbraw/zinc/94/06/81/558940681.db2.gz OAZKCEAZNFSOQN-BFYDXBDKSA-N 0 0 405.426 1.655 40 0 HDABRN 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557529181 /nfs/dbraw/zinc/52/91/81/557529181.db2.gz WKFLCXGSUBOYFO-HNNXBMFYSA-N 0 0 405.476 1.186 40 0 HDABRN COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)cc2)cc1 ZINC000408612755 557530951 /nfs/dbraw/zinc/53/09/51/557530951.db2.gz YPESYBMDOLXDTP-UHFFFAOYSA-N 0 0 408.476 1.315 40 0 HDABRN O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NC[C@H]1CCCO1 ZINC000004356033 557545572 /nfs/dbraw/zinc/54/55/72/557545572.db2.gz HIRODSRGSSGOEF-QGZVFWFLSA-N 0 0 423.535 1.031 40 0 HDABRN COCCNC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000004861412 557607821 /nfs/dbraw/zinc/60/78/21/557607821.db2.gz HLOJMYIRUOQFPZ-UHFFFAOYSA-N 0 0 408.480 1.555 40 0 HDABRN Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 ZINC000408650768 557623812 /nfs/dbraw/zinc/62/38/12/557623812.db2.gz BXNZEAIOSYTVEL-INIZCTEOSA-N 0 0 409.442 1.979 40 0 HDABRN COC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O ZINC000005006916 557624540 /nfs/dbraw/zinc/62/45/40/557624540.db2.gz QFQJYIFVBOYAQB-XNTDXEJSSA-N 0 0 404.444 1.897 40 0 HDABRN 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O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000008279968 557779822 /nfs/dbraw/zinc/77/98/22/557779822.db2.gz OQZTZFYJTOYHCT-UHFFFAOYSA-N 0 0 418.471 1.409 40 0 HDABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000008476149 557793009 /nfs/dbraw/zinc/79/30/09/557793009.db2.gz CABWVTBWYQZTGC-UHFFFAOYSA-N 0 0 424.519 1.895 40 0 HDABRN CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000008475931 557793016 /nfs/dbraw/zinc/79/30/16/557793016.db2.gz MJASPLRVNBBJEC-UHFFFAOYSA-N 0 0 413.496 1.296 40 0 HDABRN C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCO2 ZINC000008519796 557793801 /nfs/dbraw/zinc/79/38/01/557793801.db2.gz JBRCRRAEDOGWIJ-LBPRGKRZSA-N 0 0 402.428 1.480 40 0 HDABRN CC(C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NCCCc2nc4cc(F)ccc4[nH]2)[C@@H]3C1=O ZINC000036748632 557852204 /nfs/dbraw/zinc/85/22/04/557852204.db2.gz JBNCMHHBTDEROA-ITBLURSFSA-N 0 0 412.465 1.941 40 0 HDABRN COc1ccc([C@H](NC(=O)CCN2C(=O)N[C@@H]3NC(=O)N[C@@H]32)c2ccccc2)cc1 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CCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)ccc1OC ZINC000225259554 568626287 /nfs/dbraw/zinc/62/62/87/568626287.db2.gz MMXXCHGIQGIPFN-CYBMUJFWSA-N 0 0 406.460 1.563 40 0 HDABRN CNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000225412239 568635298 /nfs/dbraw/zinc/63/52/98/568635298.db2.gz RZUHGHSBBQJPEV-UHFFFAOYSA-N 0 0 423.516 1.048 40 0 HDABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000225414942 568635673 /nfs/dbraw/zinc/63/56/73/568635673.db2.gz CSURJYNKPDVITH-KRWDZBQOSA-N 0 0 410.517 1.879 40 0 HDABRN CCN1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 ZINC000225448251 568638739 /nfs/dbraw/zinc/63/87/39/568638739.db2.gz DXSLMACJFRNCDV-UHFFFAOYSA-N 0 0 415.928 1.770 40 0 HDABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000225482356 568641726 /nfs/dbraw/zinc/64/17/26/568641726.db2.gz ZFZSXNOQHGMXJM-UHFFFAOYSA-N 0 0 405.476 1.616 40 0 HDABRN C[NH+](C)CCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000225520054 568646278 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CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1F ZINC000260899508 568743145 /nfs/dbraw/zinc/74/31/45/568743145.db2.gz LNKJFGUWEVOGAT-HNNXBMFYSA-N 0 0 408.451 1.544 40 0 HDABRN COc1ccccc1N(CC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O ZINC000260901591 568743243 /nfs/dbraw/zinc/74/32/43/568743243.db2.gz MIXMCZQAALUHJY-AWEZNQCLSA-N 0 0 406.460 1.417 40 0 HDABRN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000260903943 568743609 /nfs/dbraw/zinc/74/36/09/568743609.db2.gz YIVHAJDTXHSYHJ-IBGZPJMESA-N 0 0 409.552 1.197 40 0 HDABRN O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000247509765 568745425 /nfs/dbraw/zinc/74/54/25/568745425.db2.gz SOYLMNZQRWLNTC-KDOFPFPSSA-N 0 0 411.455 1.030 40 0 HDABRN C[C@@H]1CN(c2ncc3c(n2)[C@@]2(CCN(C(=O)c4ccnn4C)C2)COC3)C[C@H](C)O1 ZINC000248000488 568747027 /nfs/dbraw/zinc/74/70/27/568747027.db2.gz AIAIWGKDQUTDPW-LRAJWGHMSA-N 0 0 412.494 1.138 40 0 HDABRN COCCNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000027914373 568772094 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CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1C ZINC000408606569 557518593 /nfs/dbraw/zinc/51/85/93/557518593.db2.gz MJVWETNYUWNVPE-ZDUSSCGKSA-N 0 0 405.476 1.798 40 0 HDABRN O=C(NCCCn1ccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408607036 557519059 /nfs/dbraw/zinc/51/90/59/557519059.db2.gz PUENCOCXAJXTDO-FQEVSTJZSA-N 0 0 412.515 1.979 40 0 HDABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 ZINC000408614776 557540218 /nfs/dbraw/zinc/54/02/18/557540218.db2.gz HUYRZJNGHPORJW-MRXNPFEDSA-N 0 0 403.479 1.193 40 0 HDABRN CCc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 ZINC000408616292 557542350 /nfs/dbraw/zinc/54/23/50/557542350.db2.gz FWSIECHGFMXBSY-UHFFFAOYSA-N 0 0 416.503 1.844 40 0 HDABRN Cc1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408617196 557543963 /nfs/dbraw/zinc/54/39/63/557543963.db2.gz IMRVGIXLGUVUEF-UHFFFAOYSA-N 0 0 417.531 1.639 40 0 HDABRN COc1ccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(C)(=O)=O)c(OC)c1 ZINC000408627383 557560423 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558326833 /nfs/dbraw/zinc/32/68/33/558326833.db2.gz TYXGYNAGZKVYDD-GOSISDBHSA-N 0 0 413.499 1.545 40 0 HDABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCN1CCOCC1 ZINC000020061830 558329574 /nfs/dbraw/zinc/32/95/74/558329574.db2.gz NEOAZEQSKFKMBO-UHFFFAOYSA-N 0 0 423.579 1.868 40 0 HDABRN C[S@](=O)CCNC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O ZINC000012117976 558329641 /nfs/dbraw/zinc/32/96/41/558329641.db2.gz KCTXCOYILZKYEN-SSEXGKCCSA-N 0 0 422.510 1.996 40 0 HDABRN C[C@H](C(=O)N1CCC[C@@H](c2ccnc3ncnn32)C1)c1n[nH]c(=O)c2ccccc21 ZINC000012118837 558330145 /nfs/dbraw/zinc/33/01/45/558330145.db2.gz LRTGXLWCTXFIBB-UONOGXRCSA-N 0 0 403.446 1.871 40 0 HDABRN C[C@H]1CCc2[nH]nc(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)c2C1 ZINC000012121440 558330757 /nfs/dbraw/zinc/33/07/57/558330757.db2.gz CQIIWYLPMNFCLL-JTQLQIEISA-N 0 0 409.537 1.809 40 0 HDABRN CCn1cc([C@@H]2C[C@H](C(=O)Nc3cnn(CC(C)C)c3)N(C)S(=O)(=O)N2)c(C)n1 ZINC000012130817 558332536 /nfs/dbraw/zinc/33/25/36/558332536.db2.gz 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CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000044904580 520949202 /nfs/dbraw/zinc/94/92/02/520949202.db2.gz GIFWGDSBEXYGRN-UHFFFAOYSA-N 0 0 423.535 1.917 40 0 HDABRN COC(=O)[C@H]1C([O-])=NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@@H]1c1ccco1 ZINC000019818135 523944341 /nfs/dbraw/zinc/94/43/41/523944341.db2.gz MZCALIYGPJKZHU-IAGOWNOFSA-N 0 0 400.410 1.557 40 0 HDABRN C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 ZINC000040389091 524119810 /nfs/dbraw/zinc/11/98/10/524119810.db2.gz IKWVWULFBSXKMN-ZBFHGGJFSA-N 0 0 409.490 1.933 40 0 HDABRN Cc1cc(C)n(CCC(=O)N2CCC(Cc3cc(N(C)C)nc(C)n3)CC2)c(=O)n1 ZINC000019757689 524515987 /nfs/dbraw/zinc/51/59/87/524515987.db2.gz OZVAXNQHOHFMKM-UHFFFAOYSA-N 0 0 412.538 1.896 40 0 HDABRN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)cc1 ZINC000019660636 525034831 /nfs/dbraw/zinc/03/48/31/525034831.db2.gz VSXMYAQTSRBNJD-INIZCTEOSA-N 0 0 406.508 1.603 40 0 HDABRN Cc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4ccncc4)c(=O)nc2-3)cc1 ZINC000032615468 525105622 /nfs/dbraw/zinc/10/56/22/525105622.db2.gz QQAJIRGNYGJUSQ-UHFFFAOYSA-N 0 0 401.426 1.900 40 0 HDABRN COc1ccc([C@@H](C)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC ZINC000044845746 525135651 /nfs/dbraw/zinc/13/56/51/525135651.db2.gz PGGJTEZCGYPBPE-GFCCVEGCSA-N 0 0 404.444 1.726 40 0 HDABRN Cc1c([C@H]2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)N(C)S(=O)(=O)N2)cnn1C ZINC000072335075 525929409 /nfs/dbraw/zinc/92/94/09/525929409.db2.gz KGAGRJQCTUNXMW-HUUCEWRRSA-N 0 0 415.878 1.739 40 0 HDABRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000056936061 526306845 /nfs/dbraw/zinc/30/68/45/526306845.db2.gz TUXGSXZUHVYFDZ-RTRPANQVSA-N 0 0 418.519 1.815 40 0 HDABRN Cc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398557 527201378 /nfs/dbraw/zinc/20/13/78/527201378.db2.gz PNYLWGKXOZEJOV-UHFFFAOYSA-N 0 0 408.437 1.886 40 0 HDABRN O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)NCc1ccccc1 ZINC000032615422 527383821 /nfs/dbraw/zinc/38/38/21/527383821.db2.gz FKZVRGWNQYOLRK-UHFFFAOYSA-N 0 0 401.426 1.270 40 0 HDABRN Nc1c(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cnn1-c1ccccc1 ZINC000072346828 527426236 /nfs/dbraw/zinc/42/62/36/527426236.db2.gz PXMQCMAENFGAEZ-UHFFFAOYSA-N 0 0 422.464 1.672 40 0 HDABRN COC(=O)[C@@H]1N[C@@H](C(=O)OC)[C@H](c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 ZINC000034704138 557016691 /nfs/dbraw/zinc/01/66/91/557016691.db2.gz DZZNYSWTPABICD-TVFCKZIOSA-N 0 0 403.456 1.570 40 0 HDABRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C(=O)N(Cc3ccncc3)C[C@@]23C=C[C@@H]1O3 ZINC000009061271 557016988 /nfs/dbraw/zinc/01/69/88/557016988.db2.gz YEUXMNPIKNKIDQ-UDSSINMLSA-N 0 0 419.437 1.774 40 0 HDABRN O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000001363793 557257182 /nfs/dbraw/zinc/25/71/82/557257182.db2.gz FWMDMFADWUBUJV-AWEZNQCLSA-N 0 0 404.496 1.122 40 0 HDABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000408561602 557459995 /nfs/dbraw/zinc/45/99/95/557459995.db2.gz UAXAXQAQZQUVDU-GDBMZVCRSA-N 0 0 412.508 1.400 40 0 HDABRN 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Cn1ccnc1[C@@H](NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O)C1CC1 ZINC000019750653 558270497 /nfs/dbraw/zinc/27/04/97/558270497.db2.gz RJQCFOZRQBHKCQ-IBGZPJMESA-N 0 0 411.506 1.912 40 0 HDABRN Cc1c([C@@H](C)NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cnn1C ZINC000019751632 558271580 /nfs/dbraw/zinc/27/15/80/558271580.db2.gz ZOUARBZHASXDIJ-OAHLLOKOSA-N 0 0 407.474 1.698 40 0 HDABRN CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930257 558309886 /nfs/dbraw/zinc/30/98/86/558309886.db2.gz ZAWSZJUTMYJYQD-UHFFFAOYSA-N 0 0 417.915 1.083 40 0 HDABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc1 ZINC000019961029 558315515 /nfs/dbraw/zinc/31/55/15/558315515.db2.gz WKRDHCYINXCLFQ-CQSZACIVSA-N 0 0 413.434 1.070 40 0 HDABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1OC ZINC000020005124 558318097 /nfs/dbraw/zinc/31/80/97/558318097.db2.gz SEBIXCWZOHDPRB-KRWDZBQOSA-N 0 0 422.503 1.092 40 0 HDABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000020012929 558319211 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557725226 /nfs/dbraw/zinc/72/52/26/557725226.db2.gz FQHAWNDNDFPARL-UHFFFAOYSA-N 0 0 407.536 1.753 40 0 HDABRN C[C@@H](C(=O)Nc1ccccc1C(N)=O)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408703965 557731371 /nfs/dbraw/zinc/73/13/71/557731371.db2.gz HOMHEFJXZAAZIH-LBPRGKRZSA-N 0 0 419.459 1.350 40 0 HDABRN COCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000408709976 557737297 /nfs/dbraw/zinc/73/72/97/557737297.db2.gz JVFWXIJKEHRZLD-UHFFFAOYSA-N 0 0 413.430 1.437 40 0 HDABRN CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000007689965 557756447 /nfs/dbraw/zinc/75/64/47/557756447.db2.gz ATDCTBRNWUOOFI-UHFFFAOYSA-N 0 0 417.531 1.964 40 0 HDABRN Cc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)n2)cc1 ZINC000007780715 557760826 /nfs/dbraw/zinc/76/08/26/557760826.db2.gz YJUOAZULMQQGFG-UHFFFAOYSA-N 0 0 400.460 1.982 40 0 HDABRN CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2CCC(=O)[O-])C(=O)Nc2c1cccc2Cl ZINC000008971521 557816803 /nfs/dbraw/zinc/81/68/03/557816803.db2.gz 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/nfs/dbraw/zinc/27/06/71/558270671.db2.gz MKLVGWFRXLMUJC-UHFFFAOYSA-N 0 0 413.409 1.267 40 0 HDABRN Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019753490 558272814 /nfs/dbraw/zinc/27/28/14/558272814.db2.gz FFBXXNZGIXJTDE-HNNXBMFYSA-N 0 0 418.523 1.703 40 0 HDABRN CN(CCO)C(=O)c1cc([C@@H]2CN(Cc3ccnn3C)CCO2)nc2ccccc21 ZINC000019759078 558275685 /nfs/dbraw/zinc/27/56/85/558275685.db2.gz NHCNDAHZMQEJTO-NRFANRHFSA-N 0 0 409.490 1.606 40 0 HDABRN CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)CCC(N)=O)C3)nc3ccccc32)CC1 ZINC000019761092 558276424 /nfs/dbraw/zinc/27/64/24/558276424.db2.gz OLWPUUYVIQYGGI-INIZCTEOSA-N 0 0 423.517 1.204 40 0 HDABRN CCNC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000019821393 558290803 /nfs/dbraw/zinc/29/08/03/558290803.db2.gz LDQNKJWKQUDCNY-MRXNPFEDSA-N 0 0 409.490 1.791 40 0 HDABRN CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000019930687 558310095 /nfs/dbraw/zinc/31/00/95/558310095.db2.gz VWXDTUQICOJVBF-UHFFFAOYSA-N 0 0 409.508 1.361 40 0 HDABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCO)cc1Cl ZINC000020005951 558318327 /nfs/dbraw/zinc/31/83/27/558318327.db2.gz VCQVOSBSGLQGPO-INIZCTEOSA-N 0 0 412.895 1.347 40 0 HDABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCO)cc1C ZINC000020008525 558318771 /nfs/dbraw/zinc/31/87/71/558318771.db2.gz AOACIYYXRFUTEQ-GOSISDBHSA-N 0 0 406.504 1.392 40 0 HDABRN COCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000020021122 558321130 /nfs/dbraw/zinc/32/11/30/558321130.db2.gz RIEDKKVOFVCIDS-HNNXBMFYSA-N 0 0 422.503 1.876 40 0 HDABRN C[C@@H]1CCc2onc(C(=O)N3CCC4(C[C@@](O)(c5nccn5C)CO4)CC3)c2C1 ZINC000012087368 558322263 /nfs/dbraw/zinc/32/22/63/558322263.db2.gz PVHPCYNGWBEDIX-SZNDQCEHSA-N 0 0 400.479 1.816 40 0 HDABRN CC1(C)Oc2ccc(S(=O)(=O)N3CCC(O)(c4cccnc4)CC3)cc2NC1=O ZINC000012118246 558329674 /nfs/dbraw/zinc/32/96/74/558329674.db2.gz CIFMXLCEJKXAMI-UHFFFAOYSA-N 0 0 417.487 1.863 40 0 HDABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(C)CC1 ZINC000020083663 558331038 /nfs/dbraw/zinc/33/10/38/558331038.db2.gz OEWLUTRTBKOFAO-LJQANCHMSA-N 0 0 411.510 1.115 40 0 HDABRN Cc1nc2sc3c(c2c2nn(CC(=O)N4CCOCC4)c(=O)n21)CC[C@H](C)C3 ZINC000012132282 558332984 /nfs/dbraw/zinc/33/29/84/558332984.db2.gz MGQONFCYVPNBSL-NSHDSACASA-N 0 0 401.492 1.398 40 0 HDABRN Cc1nc2sc3c(c2c2nn(CC(=O)N4CCOCC4)c(=O)n21)CC[C@@H](C)C3 ZINC000012132275 558333030 /nfs/dbraw/zinc/33/30/30/558333030.db2.gz MGQONFCYVPNBSL-LLVKDONJSA-N 0 0 401.492 1.398 40 0 HDABRN COc1ccc(NC(=O)C2=CC(c3cn(C)nc3C)=NS(=O)(=O)N2C)cc1OC ZINC000012155229 558339826 /nfs/dbraw/zinc/33/98/26/558339826.db2.gz BXOKGLGHJQWOFS-UHFFFAOYSA-N 0 0 419.463 1.248 40 0 HDABRN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc2c(c1)OCO2 ZINC000012188011 558347117 /nfs/dbraw/zinc/34/71/17/558347117.db2.gz CLJFEEOFFXJSJA-HNNXBMFYSA-N 0 0 419.459 1.327 40 0 HDABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000020245443 558351393 /nfs/dbraw/zinc/35/13/93/558351393.db2.gz IYZSBLFHYYBNEM-UHFFFAOYSA-N 0 0 409.439 1.864 40 0 HDABRN CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000012238903 558359638 /nfs/dbraw/zinc/35/96/38/558359638.db2.gz ZROHNUWHJGMAIP-DZGCQCFKSA-N 0 0 415.519 1.888 40 0 HDABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000020493356 558379035 /nfs/dbraw/zinc/37/90/35/558379035.db2.gz LRTXLQGKOQVKTL-QGZVFWFLSA-N 0 0 405.524 1.315 40 0 HDABRN CC1(C)[C@](C)(n2cc(C=CBr)c(=O)[nH]c2=O)O[C@](C)(CO)[C@@]1(C)O ZINC000012359501 558386789 /nfs/dbraw/zinc/38/67/89/558386789.db2.gz CNXMSPYQAKBWKG-JZNSLKIISA-N 0 0 403.273 1.133 40 0 HDABRN Cc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000012362184 558387120 /nfs/dbraw/zinc/38/71/20/558387120.db2.gz CBSSUUZHPFHIIQ-QGZVFWFLSA-N 0 0 404.488 1.840 40 0 HDABRN CS(=O)(=O)c1snnc1[C@@H]1CCCN(C(=O)C[C@H]2OC(=O)c3ccccc32)C1 ZINC000012730137 558457469 /nfs/dbraw/zinc/45/74/69/558457469.db2.gz XMUSBPBBUSBNPA-BXUZGUMPSA-N 0 0 421.500 1.949 40 0 HDABRN COc1ccc(N(CC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000022333504 558480639 /nfs/dbraw/zinc/48/06/39/558480639.db2.gz ZIABKUYXEQRRHA-UHFFFAOYSA-N 0 0 422.503 1.973 40 0 HDABRN COc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)c1 ZINC000022524770 558495460 /nfs/dbraw/zinc/49/54/60/558495460.db2.gz UAELXFZYLDKKPP-UHFFFAOYSA-N 0 0 414.487 1.963 40 0 HDABRN COc1ccc(CNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC ZINC000022524221 558495481 /nfs/dbraw/zinc/49/54/81/558495481.db2.gz VQERGDBKUXVKDT-UHFFFAOYSA-N 0 0 408.476 1.795 40 0 HDABRN CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)NCCc2ccccc2)CC(=O)N3)CC1 ZINC000022610237 558501650 /nfs/dbraw/zinc/50/16/50/558501650.db2.gz ICVMWPBRXGUSAU-MRXNPFEDSA-N 0 0 409.490 1.791 40 0 HDABRN COc1cccc(-n2c3nc(C)nc(C(N)=O)c3n(CC(=O)c3ccccc3)c2=O)c1 ZINC000013228028 558527218 /nfs/dbraw/zinc/52/72/18/558527218.db2.gz HXRYLAFKOUSVEJ-UHFFFAOYSA-N 0 0 417.425 1.881 40 0 HDABRN O=C(/C=C/c1ccccc1)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000013400496 558531572 /nfs/dbraw/zinc/53/15/72/558531572.db2.gz MNSVLHIUWLCFEO-YQUPRMHHSA-N 0 0 405.498 1.651 40 0 HDABRN Cc1nc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3N)sc1C ZINC000013563406 558540789 /nfs/dbraw/zinc/54/07/89/558540789.db2.gz KVMARMIRQVNJHJ-UHFFFAOYSA-N 0 0 401.477 1.562 40 0 HDABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023240205 558545127 /nfs/dbraw/zinc/54/51/27/558545127.db2.gz SKWWIIOLYCHRNZ-UHFFFAOYSA-N 0 0 403.504 1.820 40 0 HDABRN COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1 ZINC000013625078 558551023 /nfs/dbraw/zinc/55/10/23/558551023.db2.gz BMATZUODZZVNQW-LAVAIGHBSA-N 0 0 411.414 1.925 40 0 HDABRN Cc1c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000013688774 558571114 /nfs/dbraw/zinc/57/11/14/558571114.db2.gz FZJHBIKEBYNZPO-CALCHBBNSA-N 0 0 408.458 1.764 40 0 HDABRN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000024051725 558586855 /nfs/dbraw/zinc/58/68/55/558586855.db2.gz SXXMXAHNZBTSJD-UHFFFAOYSA-N 0 0 424.544 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O=C(NCc1cccc(F)c1)N1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2 ZINC000096240953 559103582 /nfs/dbraw/zinc/10/35/82/559103582.db2.gz DKTDEGKPWNHKRU-GOSISDBHSA-N 0 0 405.470 1.623 40 0 HDABRN Cc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CC2)N(CC(C)C)CCS3(=O)=O)c1 ZINC000096251546 559105541 /nfs/dbraw/zinc/10/55/41/559105541.db2.gz MOZRTUOOKULKGC-RBUKOAKNSA-N 0 0 414.593 1.903 40 0 HDABRN O=S(=O)(C1CC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 ZINC000096261930 559106144 /nfs/dbraw/zinc/10/61/44/559106144.db2.gz QJEBOPVDRYJXMT-IBGZPJMESA-N 0 0 419.528 1.679 40 0 HDABRN CN1C(=O)C2(CC13CCN(C(=O)c1ccncn1)CC3)CCN(c1ncccn1)CC2 ZINC000096262357 559106390 /nfs/dbraw/zinc/10/63/90/559106390.db2.gz UXFMJSXXVPONIT-UHFFFAOYSA-N 0 0 421.505 1.390 40 0 HDABRN CN1CCN(C(=O)c2ccc3c(c2)[C@@H](c2nnc[nH]2)CN3C(=O)c2ccccc2)CC1 ZINC000096267835 559108466 /nfs/dbraw/zinc/10/84/66/559108466.db2.gz NLAPGAGNQHHGFF-IBGZPJMESA-N 0 0 416.485 1.985 40 0 HDABRN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCN(c3ccccn3)CC2)C1 ZINC000585286157 559121790 /nfs/dbraw/zinc/12/17/90/559121790.db2.gz WJKJSSQHSHHKOM-XUZZJYLKSA-N 0 0 424.545 1.161 40 0 HDABRN NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCCn2cncn2)CCO1 ZINC000585286405 559121955 /nfs/dbraw/zinc/12/19/55/559121955.db2.gz OMYNURVEPZBDSM-IBGZPJMESA-N 0 0 421.885 1.264 40 0 HDABRN Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccco3)C2)cnn1C ZINC000017088056 559122588 /nfs/dbraw/zinc/12/25/88/559122588.db2.gz CGJVHMZCBHGLKU-HOCLYGCPSA-N 0 0 408.524 1.860 40 0 HDABRN CC(=O)OCC1(CC(=O)N2CCOCC2)CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000585294124 559127055 /nfs/dbraw/zinc/12/70/55/559127055.db2.gz PEDVXPZGNAQCNU-UHFFFAOYSA-N 0 0 420.510 1.498 40 0 HDABRN O=C(C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000100723262 559138483 /nfs/dbraw/zinc/13/84/83/559138483.db2.gz KATJZCYJXLKHPK-LSDHHAIUSA-N 0 0 405.458 1.395 40 0 HDABRN COc1ccc([C@@H]2N=C(N3CCOCC3)Nc3nc(C)cc(=O)n32)c(OC)c1OC ZINC000104279803 559159876 /nfs/dbraw/zinc/15/98/76/559159876.db2.gz YGKNEUARSGEGQE-GOSISDBHSA-N 0 0 415.450 1.238 40 0 HDABRN NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000048639348 559177327 /nfs/dbraw/zinc/17/73/27/559177327.db2.gz DSIUVSAZBJOBMG-UHFFFAOYSA-N 0 0 412.265 1.351 40 0 HDABRN O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000514290255 560030002 /nfs/dbraw/zinc/03/00/02/560030002.db2.gz VVBIZEHSSAGJMU-LEWJYISDSA-N 0 0 409.505 1.900 40 0 biogenic,in-vitro HDABRN O=C(Cc1ccccc1)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290190 560030342 /nfs/dbraw/zinc/03/03/42/560030342.db2.gz VCRSHIIROFUTQP-FGZHOGPDSA-N 0 0 419.525 1.330 40 0 biogenic,in-vitro HDABRN COc1ccc(CN2CC3(C2)CN(C(=O)c2cccnc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514289830 560031499 /nfs/dbraw/zinc/03/14/99/560031499.db2.gz PBDREGGGGXFPCL-WOJBJXKFSA-N 0 0 408.502 1.236 40 0 biogenic,in-vitro HDABRN COc1ccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000918312 560554258 /nfs/dbraw/zinc/55/42/58/560554258.db2.gz SIKOSRKREFXMJU-UHFFFAOYSA-N 0 0 418.471 1.729 40 0 HDABRN CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C ZINC000000932536 560558779 /nfs/dbraw/zinc/55/87/79/560558779.db2.gz OXCKPKQBTUIRSR-ZDUSSCGKSA-N 0 0 407.540 1.898 40 0 HDABRN COC(CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1)OC ZINC000001330381 560574124 /nfs/dbraw/zinc/57/41/24/560574124.db2.gz FHACVFLFSCGUMF-UHFFFAOYSA-N 0 0 414.505 1.062 40 0 HDABRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4nonc43)CC2)cc1 ZINC000001332968 560574787 /nfs/dbraw/zinc/57/47/87/560574787.db2.gz WNYVYSYDOGELOA-UHFFFAOYSA-N 0 0 422.488 1.226 40 0 HDABRN O=S(=O)(NCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000001362938 560579351 /nfs/dbraw/zinc/57/93/51/560579351.db2.gz LXGQIZXZJIPZMY-UHFFFAOYSA-N 0 0 414.480 1.325 40 0 HDABRN COCCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160502 560601465 /nfs/dbraw/zinc/60/14/65/560601465.db2.gz MOAFASASXHGZJI-UHFFFAOYSA-N 0 0 407.492 1.005 40 0 HDABRN CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC(C)(C)C ZINC000004517211 560608245 /nfs/dbraw/zinc/60/82/45/560608245.db2.gz MNXXYSYQZUBPJF-OAQYLSRUSA-N 0 0 400.431 1.796 40 0 HDABRN COCCNC(=S)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000004898697 560611380 /nfs/dbraw/zinc/61/13/80/560611380.db2.gz YBYJQZLXPWGRIQ-UHFFFAOYSA-N 0 0 412.581 1.114 40 0 HDABRN CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C ZINC000004949891 560617119 /nfs/dbraw/zinc/61/71/19/560617119.db2.gz KXIPGNJCYVVSAD-AWEZNQCLSA-N 0 0 401.467 1.018 40 0 HDABRN O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)NCc1ccccc1 ZINC000408823214 560645270 /nfs/dbraw/zinc/64/52/70/560645270.db2.gz NEUFRAMLRUHFPH-CPNJWEJPSA-N 0 0 407.495 1.457 40 0 HDABRN O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)Nc1ccc(F)cc1 ZINC000408881556 560649907 /nfs/dbraw/zinc/64/99/07/560649907.db2.gz MYUJKVDJLZITBM-LDADJPATSA-N 0 0 411.458 1.919 40 0 HDABRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc(I)c3)C(=O)[C@H]12 ZINC000408917737 560653558 /nfs/dbraw/zinc/65/35/58/560653558.db2.gz AQBMUBYEGCJDNO-APYUEPQZSA-N 0 0 411.195 1.487 40 0 HDABRN Cn1c(CN2CCOCC2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000409199249 560692223 /nfs/dbraw/zinc/69/22/23/560692223.db2.gz AOVVTTVDOTTYRT-UHFFFAOYSA-N 0 0 416.551 1.088 40 0 HDABRN COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409390822 560718830 /nfs/dbraw/zinc/71/88/30/560718830.db2.gz LPLQXQQTTNDWDX-CQSZACIVSA-N 0 0 422.503 1.738 40 0 HDABRN [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000100773143 560726365 /nfs/dbraw/zinc/72/63/65/560726365.db2.gz YJDBZZOJZMQULO-RDGPPVDQSA-N 0 0 401.507 1.555 40 0 HDABRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(N)=O)c(OC)c1 ZINC000102337293 560731001 /nfs/dbraw/zinc/73/10/01/560731001.db2.gz LGIOKZZBLKYBBP-WTGUMLROSA-N 0 0 419.437 1.705 40 0 HDABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc(OC)c3OC)N2N1 ZINC000588228346 560743676 /nfs/dbraw/zinc/74/36/76/560743676.db2.gz NXGKRMQZOGNZQI-LJQANCHMSA-N 0 0 410.499 1.990 40 0 HDABRN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000260511688 560750984 /nfs/dbraw/zinc/75/09/84/560750984.db2.gz RKIZGZNAUANPNT-ZDUSSCGKSA-N 0 0 403.526 1.083 40 0 HDABRN Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009289566 560757826 /nfs/dbraw/zinc/75/78/26/560757826.db2.gz JXQUFCSSIBBSGG-SJLPKXTDSA-N 0 0 406.494 1.800 40 0 HDABRN CSc1ccc([C@H]2N=C(N3CCN(CCO)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009289669 560757830 /nfs/dbraw/zinc/75/78/30/560757830.db2.gz NUPFPRBJBZVTIW-SFHVURJKSA-N 0 0 414.535 1.212 40 0 HDABRN Cc1cc(=O)n2c(n1)NC(N1CCN(CCO)CC1)=N[C@@H]2c1ccc(Cl)cc1 ZINC000009289388 560757884 /nfs/dbraw/zinc/75/78/84/560757884.db2.gz VYGOFVZBBZWXIZ-KRWDZBQOSA-N 0 0 402.886 1.143 40 0 HDABRN COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000010542127 560770147 /nfs/dbraw/zinc/77/01/47/560770147.db2.gz QALLGSBGVKQGQW-GFCCVEGCSA-N 0 0 402.900 1.906 40 0 HDABRN COC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 ZINC000010541995 560770180 /nfs/dbraw/zinc/77/01/80/560770180.db2.gz SZWHHMPDKQZTPF-UHFFFAOYSA-N 0 0 402.900 1.826 40 0 HDABRN CN(Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O ZINC000014399272 560842096 /nfs/dbraw/zinc/84/20/96/560842096.db2.gz LTFJQDNTHLOGHE-UHFFFAOYSA-N 0 0 406.460 1.867 40 0 HDABRN O=C(Nc1ccccc1Cl)[C@H]1C=C([O-])NC(N2CCN(c3ccccn3)CC2)=[NH+]1 ZINC000014607048 560846710 /nfs/dbraw/zinc/84/67/10/560846710.db2.gz OWRCJFFIMVSNPB-MRXNPFEDSA-N 0 0 412.881 1.740 40 0 HDABRN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)N[C@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000016022020 560858052 /nfs/dbraw/zinc/85/80/52/560858052.db2.gz MHUDSBSAPUUZHC-NHLKVAAPSA-N 0 0 405.882 1.548 40 0 HDABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCOCC3)cc2c1 ZINC000019220874 560872097 /nfs/dbraw/zinc/87/20/97/560872097.db2.gz LNBSTIIDUSLYJR-APWZRJJASA-N 0 0 410.478 1.424 40 0 HDABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](CC(C)C)N2CCN(C)CC2)cc1 ZINC000019211189 560872125 /nfs/dbraw/zinc/87/21/25/560872125.db2.gz CNGCHJRGTIZQDV-SFHVURJKSA-N 0 0 406.556 1.748 40 0 HDABRN CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000019446811 560873027 /nfs/dbraw/zinc/87/30/27/560873027.db2.gz KKRZQQYMYICKGO-DLBZAZTESA-N 0 0 402.499 1.990 40 0 HDABRN CCOC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(O)c(OC)c2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019529488 560874831 /nfs/dbraw/zinc/87/48/31/560874831.db2.gz IWOKUDGVIRLLLN-RTXPOLOASA-N 0 0 424.453 1.735 40 0 HDABRN Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCOCC3)c(=O)[nH]c2cc1C ZINC000019940808 560877267 /nfs/dbraw/zinc/87/72/67/560877267.db2.gz XJLJEZKHJBBEHT-FXAWDEMLSA-N 0 0 424.505 1.732 40 0 HDABRN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000020768746 568458208 /nfs/dbraw/zinc/45/82/08/568458208.db2.gz HEBIUJIIPUPFHR-UHFFFAOYSA-N 0 0 402.469 1.563 40 0 HDABRN COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc1 ZINC000006759169 568458577 /nfs/dbraw/zinc/45/85/77/568458577.db2.gz OGMHKZMTPVWMHG-QTDGGUCWSA-N 0 0 408.454 1.929 40 0 HDABRN 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