smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC3(CC2)OCCO3)cc1OC ZINC000022626608 126343984 /nfs/dbraw/zinc/34/39/84/126343984.db2.gz OLOJYDFFDMTABF-GOSISDBHSA-N 0 0 460.556 3.140 50 0 JGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000000622885 193858843 /nfs/dbraw/zinc/85/88/43/193858843.db2.gz IQPKRZZHVHQSJJ-JAORQVBISA-N 0 0 484.961 3.079 50 0 JGAARN CCOC(=O)c1c(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)sc2c1CCCC2 ZINC000000628021 193861032 /nfs/dbraw/zinc/86/10/32/193861032.db2.gz YWRMDKJUNBHUQF-UHFFFAOYSA-N 0 0 454.545 3.347 50 0 JGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2C)n1C ZINC000000633923 193865414 /nfs/dbraw/zinc/86/54/14/193865414.db2.gz ACJMYBSAGKGXBQ-UHFFFAOYSA-N 0 0 473.986 3.489 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000632856 193864679 /nfs/dbraw/zinc/86/46/79/193864679.db2.gz NMSCAIKGRJOBDD-JAORQVBISA-N 0 0 484.599 3.185 50 0 JGAARN Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000000633899 193865177 /nfs/dbraw/zinc/86/51/77/193865177.db2.gz VNCFDJBMMFSCPC-UHFFFAOYSA-N 0 0 484.376 3.439 50 0 JGAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cc(C)cc(C)c2)cc1OC ZINC000000656257 193880155 /nfs/dbraw/zinc/88/01/55/193880155.db2.gz RUBOJKMAYHMVNV-UHFFFAOYSA-N 0 0 469.563 3.227 50 0 JGAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000000659200 193881679 /nfs/dbraw/zinc/88/16/79/193881679.db2.gz JWYSGRSWDLNRGB-KDOFPFPSSA-N 0 0 462.432 3.244 50 0 JGAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000000659197 193881744 /nfs/dbraw/zinc/88/17/44/193881744.db2.gz JWYSGRSWDLNRGB-RDTXWAMCSA-N 0 0 462.432 3.244 50 0 JGAARN Cc1nn(C)cc1CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000000659196 193881836 /nfs/dbraw/zinc/88/18/36/193881836.db2.gz JWYSGRSWDLNRGB-KBXCAEBGSA-N 0 0 462.432 3.244 50 0 JGAARN COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)cc1 ZINC000000666056 193885797 /nfs/dbraw/zinc/88/57/97/193885797.db2.gz NPKGVEYCEUZJML-UHFFFAOYSA-N 0 0 489.315 3.368 50 0 biogenic JGAARN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000676690 193892572 /nfs/dbraw/zinc/89/25/72/193892572.db2.gz JMAQDBAREIOAPC-UHFFFAOYSA-N 0 0 461.609 3.498 50 0 aggregator JGAARN Cc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1Br ZINC000000710686 193902539 /nfs/dbraw/zinc/90/25/39/193902539.db2.gz CXFTTYUESXHVDU-UHFFFAOYSA-N 0 0 464.323 3.414 50 0 biogenic JGAARN COc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)cc1 ZINC000000715253 193903819 /nfs/dbraw/zinc/90/38/19/193903819.db2.gz JOZBONOFFFGPCT-UHFFFAOYSA-N 0 0 468.531 3.070 50 0 JGAARN COC1=NC(=N)C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000000701945 193899486 /nfs/dbraw/zinc/89/94/86/193899486.db2.gz IYWYXEAPLCILFE-IFMALSPDSA-N 0 0 482.583 3.273 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000000728391 193908064 /nfs/dbraw/zinc/90/80/64/193908064.db2.gz IZEWZAGPBKHRET-ZRELAVNMSA-N 0 0 498.988 3.469 50 0 JGAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(OC)cc2)n2cccc(N)c2c1S(=O)(=O)CCC ZINC000000783594 193912308 /nfs/dbraw/zinc/91/23/08/193912308.db2.gz LOUKECMLPXHWPH-UHFFFAOYSA-N 0 0 478.592 3.129 50 0 JGAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000000827652 193919803 /nfs/dbraw/zinc/91/98/03/193919803.db2.gz ZLBOXCMFXMXVGG-UHFFFAOYSA-N 0 0 458.321 3.313 50 0 JGAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000829796 193920314 /nfs/dbraw/zinc/92/03/14/193920314.db2.gz JHKWGPNJBZQYRB-UHFFFAOYSA-N 0 0 495.601 3.248 50 0 JGAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(OCC(=O)N2CCCCC2)ccc2ccccc21 ZINC000000831444 193921183 /nfs/dbraw/zinc/92/11/83/193921183.db2.gz CUUJSSIAGKQNJJ-QHCPKHFHSA-N 0 0 451.523 3.422 50 0 JGAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(Cl)(Cl)Cl)cc(OC)c1OC ZINC000000844380 193924439 /nfs/dbraw/zinc/92/44/39/193924439.db2.gz JWFCFECOLVXHIG-CYBMUJFWSA-N 0 0 453.706 3.254 50 0 JGAARN O=C1c2sc3nnc(-c4ccccc4)c(=O)n3c2C(=O)N1c1ccc(Br)cc1 ZINC000000946910 193989278 /nfs/dbraw/zinc/98/92/78/193989278.db2.gz ALPARFQSGBVUCT-UHFFFAOYSA-N 0 0 453.277 3.381 50 0 JGAARN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000998070 194000395 /nfs/dbraw/zinc/00/03/95/194000395.db2.gz UIIRPKACOYUHTC-KBPBESRZSA-N 0 0 463.408 3.466 50 0 JGAARN COC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2sc3ccccc3c2Cl)c1 ZINC000001034179 194006813 /nfs/dbraw/zinc/00/68/13/194006813.db2.gz BHDLAUFXYBIUEY-MRXNPFEDSA-N 0 0 485.949 3.311 50 0 JGAARN COc1ccc(CCNC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000001045470 194008761 /nfs/dbraw/zinc/00/87/61/194008761.db2.gz CIPFVDDJWAOCSR-UHFFFAOYSA-N 0 0 463.625 3.408 50 0 JGAARN CCOC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C(=O)OCC)[C@@H]1c1c(F)cccc1Cl ZINC000001050875 194010161 /nfs/dbraw/zinc/01/01/61/194010161.db2.gz VWNBOQFCCJSZHV-RNCFNFMXSA-N 0 0 454.907 3.048 50 0 JGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(Br)c2)cc1 ZINC000001013203 194003099 /nfs/dbraw/zinc/00/30/99/194003099.db2.gz APJGYEPHIVMHSS-SFHVURJKSA-N 0 0 467.385 3.248 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000001023523 194004593 /nfs/dbraw/zinc/00/45/93/194004593.db2.gz MVYDBNIYIHTHPZ-VZIOXZNFSA-N 0 0 478.570 3.124 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000001023530 194004615 /nfs/dbraw/zinc/00/46/15/194004615.db2.gz MVYDBNIYIHTHPZ-QCHPHUCNSA-N 0 0 478.570 3.124 50 0 JGAARN COc1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000001056748 194011013 /nfs/dbraw/zinc/01/10/13/194011013.db2.gz CAFXUWWVNDGJFG-UHFFFAOYSA-N 0 0 470.547 3.224 50 0 JGAARN Cc1cc(I)cc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 ZINC000001059538 194012082 /nfs/dbraw/zinc/01/20/82/194012082.db2.gz WDBMQSMOABOTAX-WBVHZDCISA-N 0 0 480.302 3.481 50 0 JGAARN COc1cc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000001091184 194021955 /nfs/dbraw/zinc/02/19/55/194021955.db2.gz UNZPAOVAEKZJQY-HSZRJFAPSA-N 0 0 455.536 3.289 50 0 JGAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000001093674 194022835 /nfs/dbraw/zinc/02/28/35/194022835.db2.gz QAXUZVBKMNJQFW-UHFFFAOYSA-N 0 0 481.412 3.217 50 0 biogenic JGAARN CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)c(Cl)c1 ZINC000001109732 194026971 /nfs/dbraw/zinc/02/69/71/194026971.db2.gz RRZUJGJKNGXEGE-UHFFFAOYSA-N 0 0 458.349 3.425 50 0 JGAARN CCOC(=O)c1c(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000001111807 194028107 /nfs/dbraw/zinc/02/81/07/194028107.db2.gz GAFJWGNFWXZGCB-UHFFFAOYSA-N 0 0 454.545 3.347 50 0 JGAARN CCOc1cc(C2C(C(=O)OC)=CN(C3CC3)C=C2C(=O)OC)cc(Br)c1O ZINC000001077109 194018758 /nfs/dbraw/zinc/01/87/58/194018758.db2.gz LGXJYZAPCHUJDK-UHFFFAOYSA-N 0 0 452.301 3.229 50 0 JGAARN COc1ccc(-c2oc3cc(OC)c(OC(C)=O)c(OC)c3c(=O)c2OC)cc1OC(C)=O ZINC000001082870 194020847 /nfs/dbraw/zinc/02/08/47/194020847.db2.gz FWZKNPRCZCUJMQ-UHFFFAOYSA-N 0 0 458.419 3.345 50 0 biogenic JGAARN NC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000001112554 194028237 /nfs/dbraw/zinc/02/82/37/194028237.db2.gz BXNOHWDBVDMLKB-UHFFFAOYSA-N 0 0 488.363 3.382 50 0 JGAARN Cn1c2c(c(=O)n(C)c1=O)n(Cc1ccccc1Cl)c(=O)n2Cc1ccc(Cl)cc1Cl ZINC000001119471 194032698 /nfs/dbraw/zinc/03/26/98/194032698.db2.gz YHMNKTVAHXWFCD-UHFFFAOYSA-N 0 0 479.751 3.257 50 0 JGAARN CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001120648 194033717 /nfs/dbraw/zinc/03/37/17/194033717.db2.gz XZMUIGPZKDYLIK-UHFFFAOYSA-N 0 0 464.849 3.170 50 0 JGAARN COc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(C)(=O)=O)c1 ZINC000001122083 194034296 /nfs/dbraw/zinc/03/42/96/194034296.db2.gz NVWLPNJUPUHRBO-UHFFFAOYSA-N 0 0 467.547 3.030 50 0 JGAARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000001122832 194034724 /nfs/dbraw/zinc/03/47/24/194034724.db2.gz BRIIAJUUYKBFES-UHFFFAOYSA-N 0 0 482.400 3.100 50 0 JGAARN CN(CC(=O)Nc1cccc(I)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001124610 194035295 /nfs/dbraw/zinc/03/52/95/194035295.db2.gz UQYURABJZMWDHG-UHFFFAOYSA-N 0 0 464.712 3.204 50 0 JGAARN Cn1nc(-c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)c2ccccc2c1=O ZINC000001113666 194028626 /nfs/dbraw/zinc/02/86/26/194028626.db2.gz OSECLUDAQXQKJR-UHFFFAOYSA-N 0 0 454.530 3.328 50 0 JGAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(NC(C)=O)cc2)Cc2ccccc2)cc1OC ZINC000001144688 194046679 /nfs/dbraw/zinc/04/66/79/194046679.db2.gz HVMXZZHOJYXLSH-UHFFFAOYSA-N 0 0 497.573 3.492 50 0 JGAARN CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(Br)c(O)c(OCC)c1 ZINC000001146133 194047750 /nfs/dbraw/zinc/04/77/50/194047750.db2.gz DXPANFRIHVVNRA-UHFFFAOYSA-N 0 0 454.317 3.476 50 0 JGAARN NC(=O)c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1Cl ZINC000001130388 194038755 /nfs/dbraw/zinc/03/87/55/194038755.db2.gz HDJRVGFVTLKYLS-UHFFFAOYSA-N 0 0 459.696 3.170 50 0 JGAARN CCOC(=O)COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1OCC ZINC000001139750 194044267 /nfs/dbraw/zinc/04/42/67/194044267.db2.gz SYEAWWFZCBBMKZ-QFIPXVFZSA-N 0 0 469.563 3.459 50 0 JGAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000001142294 194045369 /nfs/dbraw/zinc/04/53/69/194045369.db2.gz OPZRTZMSFAOCFX-UHFFFAOYSA-N 0 0 471.558 3.344 50 0 JGAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1 ZINC000001141973 194045471 /nfs/dbraw/zinc/04/54/71/194045471.db2.gz PVKBYBCZQOANLT-UHFFFAOYSA-N 0 0 471.535 3.013 50 0 JGAARN CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(I)cc1 ZINC000001142749 194045701 /nfs/dbraw/zinc/04/57/01/194045701.db2.gz DAJSANOAKRFHKD-UHFFFAOYSA-N 0 0 464.712 3.349 50 0 JGAARN COC(=O)C1=CN(CCc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccc(OC)c1 ZINC000001149019 194049769 /nfs/dbraw/zinc/04/97/69/194049769.db2.gz JDSJNFAKVAXVOA-UHFFFAOYSA-N 0 0 467.518 3.468 50 0 JGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)cc1 ZINC000001170501 194059587 /nfs/dbraw/zinc/05/95/87/194059587.db2.gz UBSRWYNUKBNLFB-PRWBYUBPSA-N 0 0 452.532 3.097 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000001153438 194051859 /nfs/dbraw/zinc/05/18/59/194051859.db2.gz FRSXHXMUOFEIGK-QCHPHUCNSA-N 0 0 496.585 3.496 50 0 JGAARN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Br ZINC000001157371 194053279 /nfs/dbraw/zinc/05/32/79/194053279.db2.gz ZMZQWOSVUKINOT-WUXMJOGZSA-N 0 0 492.731 3.254 50 0 JGAARN COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000001162925 194055817 /nfs/dbraw/zinc/05/58/17/194055817.db2.gz HILBKPMEHDFECY-UHFFFAOYSA-N 0 0 468.531 3.311 50 0 JGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccn3C)c(=O)n2[C@H]1c1ccccc1OC ZINC000001163413 194056251 /nfs/dbraw/zinc/05/62/51/194056251.db2.gz APFYDMUWGIPBEJ-BDPRQDHOSA-N 0 0 499.592 3.283 50 0 JGAARN CCOC(=O)COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc1Br ZINC000001163268 194056263 /nfs/dbraw/zinc/05/62/63/194056263.db2.gz RSMYSQHYRYKCBX-ZRRZQRFHSA-N 0 0 486.340 3.379 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000001201420 194068839 /nfs/dbraw/zinc/06/88/39/194068839.db2.gz KBTKERCOHHKHDR-MTGKDYNDSA-N 0 0 454.573 3.259 50 0 JGAARN CCOC(=O)c1c(NC(=O)C(F)(F)F)sc(NC(=O)C(F)(F)F)c1C(=O)OCC ZINC000001184230 194063831 /nfs/dbraw/zinc/06/38/31/194063831.db2.gz NTCALPAAKVBXJF-UHFFFAOYSA-N 0 0 450.313 3.103 50 0 JGAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000001186043 194064292 /nfs/dbraw/zinc/06/42/92/194064292.db2.gz UHZUJVWKGAGJAK-UHFFFAOYSA-N 0 0 455.330 3.031 50 0 JGAARN COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 ZINC000001187034 194064639 /nfs/dbraw/zinc/06/46/39/194064639.db2.gz SPEKGEVPBVXKMY-UHFFFAOYSA-N 0 0 483.517 3.434 50 0 JGAARN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC)=C(C)N=2 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O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000020614440 195186621 /nfs/dbraw/zinc/18/66/21/195186621.db2.gz LCTJSXBPFICNSR-QHCPKHFHSA-N 0 0 472.545 3.034 50 0 JGAARN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000020614375 195186720 /nfs/dbraw/zinc/18/67/20/195186720.db2.gz KXIMTTABTAHCKD-DEOSSOPVSA-N 0 0 486.572 3.342 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2cccc(Br)c2)CC3)cc1 ZINC000020614746 195187089 /nfs/dbraw/zinc/18/70/89/195187089.db2.gz RQFIDDMICVXWDL-UHFFFAOYSA-N 0 0 495.395 3.111 50 0 JGAARN O=C(CCn1ccc(C(=O)Nc2ccc(Br)cn2)n1)Nc1ccc(Br)cn1 ZINC000020617276 195189279 /nfs/dbraw/zinc/18/92/79/195189279.db2.gz JZGJISLZESPAKR-UHFFFAOYSA-N 0 0 494.147 3.479 50 0 JGAARN CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000020622085 195190303 /nfs/dbraw/zinc/19/03/03/195190303.db2.gz FQPDPRNDOOMJHY-MUUNZHRXSA-N 0 0 469.589 3.484 50 0 JGAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@H](c3ccco3)N3CCOCC3)C2=O)c1 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COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000020798665 195226311 /nfs/dbraw/zinc/22/63/11/195226311.db2.gz PLQRAPHXTJFQCW-UHFFFAOYSA-N 0 0 459.594 3.288 50 0 JGAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000020895795 195239492 /nfs/dbraw/zinc/23/94/92/195239492.db2.gz XEEIXKFDKKEOQC-FQEVSTJZSA-N 0 0 457.508 3.314 50 0 JGAARN CCOc1ccccc1CN1CCc2c(C(=O)NCc3ccccc3OC)c(OC)cc(=O)n2CC1 ZINC000020907657 195245578 /nfs/dbraw/zinc/24/55/78/195245578.db2.gz INICMINHRQLRTG-UHFFFAOYSA-N 0 0 491.588 3.253 50 0 JGAARN CCOc1ccc(-n2c(SCC(=O)NC(=O)NCC(C)C)nc3ccccc3c2=O)cc1 ZINC000020919995 195247406 /nfs/dbraw/zinc/24/74/06/195247406.db2.gz BLFPRESLEIJOPL-UHFFFAOYSA-N 0 0 454.552 3.358 50 0 JGAARN COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)cc1 ZINC000020859133 195232699 /nfs/dbraw/zinc/23/26/99/195232699.db2.gz LOQAEYAXIDJTSI-UHFFFAOYSA-N 0 0 452.492 3.065 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1ccc(OC)c(OC)c1)CC2 ZINC000020920870 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COc1ccc(NC(=O)CCc2c(C)nc3nc(CNC(=O)OC(C)(C)C)nn3c2C)cc1OC ZINC000008611220 524486696 /nfs/dbraw/zinc/48/66/96/524486696.db2.gz HGNGFDGCAMGHNR-UHFFFAOYSA-N 0 0 484.557 3.354 50 0 JGAARN COc1ccc(NC(=O)CN(C)C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000018003140 524488308 /nfs/dbraw/zinc/48/83/08/524488308.db2.gz WAGYNKQFCCKGSK-UHFFFAOYSA-N 0 0 459.502 3.322 50 0 JGAARN Cc1cccc(Cn2c(=O)c(C(=O)N(C)Cc3ccccc3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085281 524489499 /nfs/dbraw/zinc/48/94/99/524489499.db2.gz QEHFLDBTOJIKSG-UHFFFAOYSA-N 0 0 458.493 3.162 50 0 JGAARN COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399151 524489685 /nfs/dbraw/zinc/48/96/85/524489685.db2.gz BZNXIDPIUCEKLN-UHFFFAOYSA-N 0 0 499.633 3.246 50 0 JGAARN COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000021882020 524491474 /nfs/dbraw/zinc/49/14/74/524491474.db2.gz ZFUVHNXHTSGVRG-UHFFFAOYSA-N 0 0 456.568 3.496 50 0 JGAARN COc1ccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000045998002 524492285 /nfs/dbraw/zinc/49/22/85/524492285.db2.gz BJMOTTYPCUBYHM-UHFFFAOYSA-N 0 0 469.563 3.407 50 0 JGAARN Cc1cccc(Cn2nnc3c2ncn(Cc2nc(-c4cccc(C(F)(F)F)c4)no2)c3=O)c1 ZINC000016845501 524494235 /nfs/dbraw/zinc/49/42/35/524494235.db2.gz OPLCNJFASURJLX-UHFFFAOYSA-N 0 0 467.411 3.462 50 0 JGAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3Cl)CC2)o1 ZINC000033086637 524494890 /nfs/dbraw/zinc/49/48/90/524494890.db2.gz QDDFRTJGNPBAFK-UHFFFAOYSA-N 0 0 478.958 3.317 50 0 JGAARN Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000064971974 524507181 /nfs/dbraw/zinc/50/71/81/524507181.db2.gz UWQQZQQPUODYNS-UHFFFAOYSA-N 0 0 472.501 3.270 50 0 JGAARN COc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)cc1OC ZINC000033298324 524508260 /nfs/dbraw/zinc/50/82/60/524508260.db2.gz PFMZIBCSTVIWJX-UHFFFAOYSA-N 0 0 459.549 3.366 50 0 JGAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000017041474 524513416 /nfs/dbraw/zinc/51/34/16/524513416.db2.gz YUMKQUWZMMPOQO-UHFFFAOYSA-N 0 0 452.580 3.348 50 0 JGAARN COc1ccc(NC(=O)Cn2c3ccc(C)cc3c3ncn(Cc4nc(C)no4)c(=O)c32)cc1OC ZINC000033281101 524528003 /nfs/dbraw/zinc/52/80/03/524528003.db2.gz GFANDRUTWRUSHJ-UHFFFAOYSA-N 0 0 488.504 3.055 50 0 JGAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c3nc(-c5cccnc5)nn3c2=O)CCC4)cc1 ZINC000012409369 524529521 /nfs/dbraw/zinc/52/95/21/524529521.db2.gz GRRHUISVJKKLSW-UHFFFAOYSA-N 0 0 472.530 3.304 50 0 JGAARN COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c(OC)c1 ZINC000049002437 524530985 /nfs/dbraw/zinc/53/09/85/524530985.db2.gz PTHKDILZCJTABJ-UHFFFAOYSA-N 0 0 450.426 3.360 50 0 JGAARN COc1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1OC ZINC000067225753 524533117 /nfs/dbraw/zinc/53/31/17/524533117.db2.gz IZEGWAHBCIWSEZ-UHFFFAOYSA-N 0 0 465.535 3.145 50 0 JGAARN COc1ccc(NC(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)cc1OC ZINC000065008131 524536576 /nfs/dbraw/zinc/53/65/76/524536576.db2.gz BMCSMWUOOSXTBV-UHFFFAOYSA-N 0 0 451.527 3.490 50 0 JGAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCN(c4nc5cccnc5s4)CC3)C[C@H]2C)c1 ZINC000064955475 524542976 /nfs/dbraw/zinc/54/29/76/524542976.db2.gz MAEWGLJWYJGPPE-HXUWFJFHSA-N 0 0 492.649 3.166 50 0 JGAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)nnn4C(C)C)C2)cc1 ZINC000033262748 524542951 /nfs/dbraw/zinc/54/29/51/524542951.db2.gz WYRAJQSSAKRLIK-LJQANCHMSA-N 0 0 455.584 3.038 50 0 JGAARN COc1ccccc1N1CCN(C(=O)CCn2c(=O)c3sccc3nc2N2CCCCC2)CC1 ZINC000033308785 524544014 /nfs/dbraw/zinc/54/40/14/524544014.db2.gz ZXSWDMOPGYSBCJ-UHFFFAOYSA-N 0 0 481.622 3.196 50 0 JGAARN Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCCn4nc(-c5cccn5C)cc43)CC2)c1C ZINC000021532902 524544220 /nfs/dbraw/zinc/54/42/20/524544220.db2.gz PYYOQGAVCVMQFY-UHFFFAOYSA-N 0 0 474.609 3.371 50 0 JGAARN COc1ccccc1N1CCN(C(=O)CCn2nc(-c3ccc(Br)cc3)ccc2=O)CC1 ZINC000067262842 524545268 /nfs/dbraw/zinc/54/52/68/524545268.db2.gz VSJFOBNIJIMLNE-UHFFFAOYSA-N 0 0 497.393 3.420 50 0 JGAARN COc1ccccc1N1CCN(C(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000009668375 524546384 /nfs/dbraw/zinc/54/63/84/524546384.db2.gz KUZQTPXXCUUYOB-UHFFFAOYSA-N 0 0 451.445 3.018 50 0 JGAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)N4CCc5ccccc54)c3C(=O)N2C2CC2)cc1 ZINC000064953898 524546862 /nfs/dbraw/zinc/54/68/62/524546862.db2.gz ZFNKWDPHVYSVGC-MUUNZHRXSA-N 0 0 483.572 3.088 50 0 JGAARN COc1ccc(NC(=O)N2CCN(CCn3c(-c4ccncc4)nc4cccnc43)CC2)c(OC)c1 ZINC000033139792 524548529 /nfs/dbraw/zinc/54/85/29/524548529.db2.gz YEAJYZWGZZERCU-UHFFFAOYSA-N 0 0 487.564 3.360 50 0 JGAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nsnc54)C3)CC2)c1C ZINC000008595686 524550116 /nfs/dbraw/zinc/55/01/16/524550116.db2.gz LATRDKXWSJPOQS-IBGZPJMESA-N 0 0 499.662 3.058 50 0 JGAARN Cc1ccc(CNC(=O)c2ccc3nn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)n3c2)cc1 ZINC000065100366 524562549 /nfs/dbraw/zinc/56/25/49/524562549.db2.gz WHRSKFXLACANDJ-UHFFFAOYSA-N 0 0 467.888 3.166 50 0 JGAARN COc1ccccc1N1CCN(c2ccc(=O)n(Cc3ccc(C(=O)NC4CCCCC4)o3)n2)CC1 ZINC000021533335 524564588 /nfs/dbraw/zinc/56/45/88/524564588.db2.gz XWRIVHBMMPJQGR-UHFFFAOYSA-N 0 0 491.592 3.282 50 0 JGAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)NCCc2ccccc2)CC1 ZINC000033170228 524565966 /nfs/dbraw/zinc/56/59/66/524565966.db2.gz FZKWOZPXDGKPKQ-UHFFFAOYSA-N 0 0 463.607 3.263 50 0 JGAARN COc1ccccc1N1CCN(c2nccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000033170194 524566150 /nfs/dbraw/zinc/56/61/50/524566150.db2.gz KXFDKAAAZVECCP-UHFFFAOYSA-N 0 0 479.562 3.271 50 0 JGAARN Cc1cccc(N2C[C@@H](C(=O)OCc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2=O)c1C ZINC000016654126 524566248 /nfs/dbraw/zinc/56/62/48/524566248.db2.gz ZABCEUJSNDSQKY-HNNXBMFYSA-N 0 0 450.474 3.050 50 0 JGAARN Cc1ccc(CNC(=O)c2nnc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)s2)cc1 ZINC000024754483 524568467 /nfs/dbraw/zinc/56/84/67/524568467.db2.gz GTIVZQNWZQOYND-VWLOTQADSA-N 0 0 475.574 3.232 50 0 JGAARN Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000009748204 524574653 /nfs/dbraw/zinc/57/46/53/524574653.db2.gz USLWEVMZIWMXGC-IBGZPJMESA-N 0 0 461.559 3.131 50 0 JGAARN COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009519224 524578821 /nfs/dbraw/zinc/57/88/21/524578821.db2.gz ZEMPFNHWSDBXRK-ZPHJMFTNSA-N 0 0 457.534 3.407 50 0 JGAARN COc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016248112 524592914 /nfs/dbraw/zinc/59/29/14/524592914.db2.gz KGPLNRCESAPIBM-UHFFFAOYSA-N 0 0 472.494 3.440 50 0 JGAARN Cc1cccc(NC(=O)CN2CCN(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)c1C ZINC000022919563 524595400 /nfs/dbraw/zinc/59/54/00/524595400.db2.gz HDLVLUOHAOODNC-LJAQVGFWSA-N 0 0 499.615 3.437 50 0 JGAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c(OC)c1 ZINC000064985295 524598117 /nfs/dbraw/zinc/59/81/17/524598117.db2.gz SKZNXALUTKOZIZ-QFIPXVFZSA-N 0 0 454.504 3.299 50 0 JGAARN COc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCCC(C)C)c1=O ZINC000016840174 524604736 /nfs/dbraw/zinc/60/47/36/524604736.db2.gz ABCSNIICYXVCEG-UHFFFAOYSA-N 0 0 494.592 3.143 50 0 JGAARN COc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000035447157 524610414 /nfs/dbraw/zinc/61/04/14/524610414.db2.gz PCNPCIDNWJAYMZ-UHFFFAOYSA-N 0 0 482.591 3.238 50 0 JGAARN COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000008596089 524619094 /nfs/dbraw/zinc/61/90/94/524619094.db2.gz TZBMGSGEGTUONZ-HSZRJFAPSA-N 0 0 493.585 3.133 50 0 JGAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)cc1OC ZINC000033131416 524626442 /nfs/dbraw/zinc/62/64/42/524626442.db2.gz XQWWAONYOYHHLJ-UHFFFAOYSA-N 0 0 456.973 3.347 50 0 JGAARN COc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(OC)c3OC)oc2C)c1N ZINC000033291744 524629616 /nfs/dbraw/zinc/62/96/16/524629616.db2.gz RRXWUWFRWHPTQZ-UHFFFAOYSA-N 0 0 464.482 3.150 50 0 JGAARN COc1ccc(NC(=O)c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n3c2)cc1 ZINC000033268208 524641385 /nfs/dbraw/zinc/64/13/85/524641385.db2.gz GNEAPEQTGWYSBU-UHFFFAOYSA-N 0 0 491.529 3.492 50 0 JGAARN COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000024106127 524646128 /nfs/dbraw/zinc/64/61/28/524646128.db2.gz XNECVOYKJVMIFH-UHFFFAOYSA-N 0 0 451.504 3.267 50 0 JGAARN COc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)s2)cc1 ZINC000033263483 524656461 /nfs/dbraw/zinc/65/64/61/524656461.db2.gz ZWBHBQOMFPLOMM-SFHVURJKSA-N 0 0 493.589 3.276 50 0 JGAARN COc1ccc(NC(=O)c2nnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)s2)cc1 ZINC000064991632 524658098 /nfs/dbraw/zinc/65/80/98/524658098.db2.gz GKPICLQHCHFUJY-UHFFFAOYSA-N 0 0 456.908 3.070 50 0 JGAARN Cc1cccc(NC(=O)c2c(N)n(-c3ccc(S(N)(=O)=O)cc3)c3nc4ccccc4nc32)c1 ZINC000002298834 524658732 /nfs/dbraw/zinc/65/87/32/524658732.db2.gz DHPFRPAJRSZYRK-UHFFFAOYSA-N 0 0 472.530 3.364 50 0 JGAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1 ZINC000033047836 524672724 /nfs/dbraw/zinc/67/27/24/524672724.db2.gz FXWOEBWJODPTME-HXUWFJFHSA-N 0 0 489.594 3.079 50 0 JGAARN COc1ccc(NC[C@@H](O)COc2ccc(OC[C@H](O)CNc3ccc(OC)cc3)cc2)cc1 ZINC000004420562 524677360 /nfs/dbraw/zinc/67/73/60/524677360.db2.gz OOKCWSZTQMGGTK-FGZHOGPDSA-N 0 0 468.550 3.407 50 0 JGAARN C[C@@H](CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O)c1ccccc1 ZINC000021875458 524713501 /nfs/dbraw/zinc/71/35/01/524713501.db2.gz HURFHUKFQLZSMU-QYBDOPJKSA-N 0 0 465.598 3.100 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000009669004 524732908 /nfs/dbraw/zinc/73/29/08/524732908.db2.gz NVMURAWOBSNFOO-MRXNPFEDSA-N 0 0 453.967 3.291 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000033310018 524735637 /nfs/dbraw/zinc/73/56/37/524735637.db2.gz LSQKVEFUQSCNDZ-UHFFFAOYSA-N 0 0 491.976 3.284 50 0 JGAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)C1 ZINC000033021458 524752613 /nfs/dbraw/zinc/75/26/13/524752613.db2.gz HYNPDADEQPPZBS-LSDHHAIUSA-N 0 0 477.970 3.407 50 0 JGAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000036086314 524760967 /nfs/dbraw/zinc/76/09/67/524760967.db2.gz SBRVIAMIVMXKJH-UHFFFAOYSA-N 0 0 454.530 3.298 50 0 JGAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3cccnc3)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087882 524762125 /nfs/dbraw/zinc/76/21/25/524762125.db2.gz ASCPSHJTADROFN-UHFFFAOYSA-N 0 0 469.545 3.199 50 0 JGAARN Cc1ccc(Cn2c(=O)c(N3CCC[C@H](C(=O)NCCCOC(C)C)C3)nc3cccnc32)cc1 ZINC000033259715 524763976 /nfs/dbraw/zinc/76/39/76/524763976.db2.gz OTVFKYKHRDKWGA-QFIPXVFZSA-N 0 0 477.609 3.296 50 0 JGAARN COc1ccccc1[C@@]1(CC(=O)N(CCO)Cc2ccccc2)CC(=O)N(C2CCCC2)C1=O ZINC000014881453 524766243 /nfs/dbraw/zinc/76/62/43/524766243.db2.gz IAWRIOZZXSIPOU-HHHXNRCGSA-N 0 0 464.562 3.046 50 0 JGAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4cccs4)CC3)[nH]n2)c1 ZINC000049026692 524788907 /nfs/dbraw/zinc/78/89/07/524788907.db2.gz CYQURUNXXONTNH-DLBZAZTESA-N 0 0 466.563 3.244 50 0 JGAARN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)Cn2nc(C)nc2C)C3)c1 ZINC000014955184 524792338 /nfs/dbraw/zinc/79/23/38/524792338.db2.gz DCDBLMHHYDYONY-GOSISDBHSA-N 0 0 456.930 3.352 50 0 JGAARN COc1ccc(OC)c(CCNC(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)c1 ZINC000020417611 524819489 /nfs/dbraw/zinc/81/94/89/524819489.db2.gz GJOVMUPPISALAD-UHFFFAOYSA-N 0 0 492.551 3.378 50 0 JGAARN COc1ccc(OC)c(CCNC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)c1 ZINC000008593417 524820161 /nfs/dbraw/zinc/82/01/61/524820161.db2.gz ZXYXBYPCRSVZFG-LJQANCHMSA-N 0 0 489.576 3.445 50 0 JGAARN COc1ccccc1[C@]1(CC(=O)N(C)C[C@H]2Cc3ccccc3O2)CC(=O)N(C2CCCC2)C1=O ZINC000012203724 524820721 /nfs/dbraw/zinc/82/07/21/524820721.db2.gz UJHILVABOQTKRV-PIKZIKFNSA-N 0 0 476.573 3.487 50 0 JGAARN COc1ccc(OC)c(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccc(C)c2)c1 ZINC000064972428 524834249 /nfs/dbraw/zinc/83/42/49/524834249.db2.gz GGQCIULIMWZUFG-XMMPIXPASA-N 0 0 480.586 3.444 50 0 JGAARN COc1ccc(OC)c(CNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000064972281 524835156 /nfs/dbraw/zinc/83/51/56/524835156.db2.gz ZFQIPOZLSFCXIE-HSZRJFAPSA-N 0 0 484.549 3.275 50 0 JGAARN COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016215279 524841129 /nfs/dbraw/zinc/84/11/29/524841129.db2.gz NJGOTYOASRZXTK-UHFFFAOYSA-N 0 0 492.594 3.365 50 0 JGAARN COc1ccc(OC)c(NC(=O)CSc2ccc(S(=O)(=O)c3ccc(C)cc3)nn2)c1 ZINC000033298323 524851429 /nfs/dbraw/zinc/85/14/29/524851429.db2.gz BQVBCIWHDUGSDX-UHFFFAOYSA-N 0 0 459.549 3.366 50 0 JGAARN COc1ccc(OC)c(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(Cl)cc3)c2N)c1 ZINC000045986944 524856008 /nfs/dbraw/zinc/85/60/08/524856008.db2.gz PTSIMVVDAOWOSH-UHFFFAOYSA-N 0 0 496.998 3.329 50 0 JGAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000064941207 524872483 /nfs/dbraw/zinc/87/24/83/524872483.db2.gz OZPJCHQALYXYDO-HNNXBMFYSA-N 0 0 490.538 3.492 50 0 JGAARN COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033273235 524874671 /nfs/dbraw/zinc/87/46/71/524874671.db2.gz AOIOJPLOPXVTNT-UHFFFAOYSA-N 0 0 488.591 3.376 50 0 JGAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2)C1 ZINC000016091201 524887086 /nfs/dbraw/zinc/88/70/86/524887086.db2.gz RJUHHYIIRFLKKD-HOTGVXAUSA-N 0 0 459.520 3.122 50 0 JGAARN COc1cn(CC(=O)Nc2cccc(F)c2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000022698717 524889138 /nfs/dbraw/zinc/88/91/38/524889138.db2.gz MWXCNYSHSUWIHS-UHFFFAOYSA-N 0 0 468.504 3.096 50 0 JGAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000016352171 524895186 /nfs/dbraw/zinc/89/51/86/524895186.db2.gz SIBBKZMDHACPKI-NRFANRHFSA-N 0 0 450.539 3.277 50 0 JGAARN Cc1cc(Cl)ccc1NC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874654 524900898 /nfs/dbraw/zinc/90/08/98/524900898.db2.gz BUTLCGOTFXAGHA-QHCPKHFHSA-N 0 0 457.962 3.390 50 0 JGAARN Cc1ccc(N([C@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000016698956 524901611 /nfs/dbraw/zinc/90/16/11/524901611.db2.gz MZJUKQFQEGHJMC-CQSZACIVSA-N 0 0 458.458 3.029 50 0 JGAARN Cc1ccc(N([C@@H](C)C(=O)NCC(F)(F)F)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000016698958 524901680 /nfs/dbraw/zinc/90/16/80/524901680.db2.gz MZJUKQFQEGHJMC-AWEZNQCLSA-N 0 0 458.458 3.029 50 0 JGAARN COc1ccc(OCCCN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)cc1 ZINC000009951030 524945488 /nfs/dbraw/zinc/94/54/88/524945488.db2.gz CTPGQEBKELEXGA-UHFFFAOYSA-N 0 0 454.958 3.486 50 0 JGAARN Cc1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)cc4)c4c3ncn(C)c4=O)CC2)c(C)c1 ZINC000064991900 524962534 /nfs/dbraw/zinc/96/25/34/524962534.db2.gz VAXSXOWHMOHVQO-UHFFFAOYSA-N 0 0 476.968 3.352 50 0 JGAARN Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)Nc5ccc(C)c(Cl)c5)nc34)CC2)cc1 ZINC000065151792 524965145 /nfs/dbraw/zinc/96/51/45/524965145.db2.gz DPHAKVLRLDSUII-UHFFFAOYSA-N 0 0 491.983 3.127 50 0 JGAARN C[C@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 ZINC000022520475 524966408 /nfs/dbraw/zinc/96/64/08/524966408.db2.gz YLPFZJOULPHGGK-ZDUSSCGKSA-N 0 0 461.312 3.133 50 0 JGAARN Cc1ccc(N2C[C@@H](C(=O)N3CCC(NS(=O)(=O)c4ccc(Cl)cc4)CC3)CC2=O)cc1C ZINC000013346400 524978789 /nfs/dbraw/zinc/97/87/89/524978789.db2.gz WHGQIMJYUWQMDL-SFHVURJKSA-N 0 0 490.025 3.279 50 0 JGAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)s3)CC2=O)cc1C ZINC000021707356 524979368 /nfs/dbraw/zinc/97/93/68/524979368.db2.gz CHELYGGAMHIBSD-SFHVURJKSA-N 0 0 475.636 3.209 50 0 JGAARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)CC2=O)cc1Cl ZINC000009190915 524980655 /nfs/dbraw/zinc/98/06/55/524980655.db2.gz VBNWNJZBFVCUCZ-LPHOPBHVSA-N 0 0 491.997 3.097 50 0 JGAARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1Cl ZINC000009190899 524985414 /nfs/dbraw/zinc/98/54/14/524985414.db2.gz GZVAFUVLMGNBKH-MRXNPFEDSA-N 0 0 461.971 3.425 50 0 JGAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)C1 ZINC000035379185 524994559 /nfs/dbraw/zinc/99/45/59/524994559.db2.gz SPXMDNQSCFRFNC-HOTGVXAUSA-N 0 0 475.542 3.201 50 0 JGAARN C[C@H]1Cn2c3c(nc2N(CCc2ccccc2)C1)n(C)c(=O)n(Cc1ccc(Cl)cc1)c3=O ZINC000009519128 524999062 /nfs/dbraw/zinc/99/90/62/524999062.db2.gz GRAVTUOSEYCUMO-QGZVFWFLSA-N 0 0 463.969 3.297 50 0 JGAARN Cc1cc(I)ccc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000016051174 525011518 /nfs/dbraw/zinc/01/15/18/525011518.db2.gz KFDZDVKKFTZTRG-UHFFFAOYSA-N 0 0 462.243 3.237 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4cccc(C)c4)C3=O)CC2)cc1OC ZINC000064950894 525021625 /nfs/dbraw/zinc/02/16/25/525021625.db2.gz LLHMZROCUASUGV-UHFFFAOYSA-N 0 0 473.595 3.103 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC(NC(=O)CCCC(=O)c3cccs3)CC2)cc1 ZINC000025535690 525022194 /nfs/dbraw/zinc/02/21/94/525022194.db2.gz GEISWLASUCSTSP-UHFFFAOYSA-N 0 0 450.582 3.079 50 0 JGAARN Cc1ccccc1-c1noc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000065320321 525022293 /nfs/dbraw/zinc/02/22/93/525022293.db2.gz SCVWNDQGUUSWMG-GOSISDBHSA-N 0 0 460.943 3.340 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)cc1OC ZINC000016487718 525029298 /nfs/dbraw/zinc/02/92/98/525029298.db2.gz VRSVPNKOHWONCH-MRXNPFEDSA-N 0 0 452.960 3.074 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OC ZINC000064931060 525031182 /nfs/dbraw/zinc/03/11/82/525031182.db2.gz IBOTZMOIWZWPAT-MRXNPFEDSA-N 0 0 492.554 3.473 50 0 JGAARN COc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020514701 525035273 /nfs/dbraw/zinc/03/52/73/525035273.db2.gz LHNAANPSGPTAAH-QFIPXVFZSA-N 0 0 450.583 3.067 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3ccc(F)cc3)CC2)cc1 ZINC000033139369 525036828 /nfs/dbraw/zinc/03/68/28/525036828.db2.gz LCJCOSIUCCYWFZ-UHFFFAOYSA-N 0 0 481.553 3.075 50 0 JGAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)cc1Cl ZINC000021702916 525039337 /nfs/dbraw/zinc/03/93/37/525039337.db2.gz QWZVZABOLYPHDU-UHFFFAOYSA-N 0 0 490.969 3.291 50 0 JGAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)c(Cl)c1 ZINC000021702937 525039773 /nfs/dbraw/zinc/03/97/73/525039773.db2.gz NFUATVBCPHCKPB-UHFFFAOYSA-N 0 0 490.969 3.291 50 0 JGAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(OC)c(OC)c3)Oc3ccccc32)cc1 ZINC000064986267 525046623 /nfs/dbraw/zinc/04/66/23/525046623.db2.gz SEZHWXXQODBKAM-QHCPKHFHSA-N 0 0 484.530 3.307 50 0 JGAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)ccc2Cl)C[C@H](C)O1 ZINC000035513159 525046965 /nfs/dbraw/zinc/04/69/65/525046965.db2.gz VEDFPHRQJPNFNF-VQHPVUNQSA-N 0 0 487.018 3.084 50 0 JGAARN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(C(C)=O)c3)Oc3ccccc32)cc1 ZINC000064986316 525047058 /nfs/dbraw/zinc/04/70/58/525047058.db2.gz KZOROORCUQIPNT-QHCPKHFHSA-N 0 0 466.515 3.493 50 0 JGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(Cl)c4)o3)cc2)C[C@H](C)O1 ZINC000012514855 525048867 /nfs/dbraw/zinc/04/88/67/525048867.db2.gz DYFXKFQQQRDRSD-OKILXGFUSA-N 0 0 476.942 3.440 50 0 JGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(C)cc2)cc1 ZINC000064972330 525050040 /nfs/dbraw/zinc/05/00/40/525050040.db2.gz NCZVBDZAVGQDAY-XMMPIXPASA-N 0 0 450.560 3.436 50 0 JGAARN COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnc(SC)n1-c1ccccc1 ZINC000022522248 525053996 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CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N2CCCC2)cc1 ZINC000035559545 569703825 /nfs/dbraw/zinc/70/38/25/569703825.db2.gz WOYSMYURUKEZJY-JOCHJYFZSA-N 0 0 455.580 3.336 50 0 JGAARN C[C@@H](CNC(=O)CN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CCC1=O)c1ccccc1 ZINC000035560447 569704193 /nfs/dbraw/zinc/70/41/93/569704193.db2.gz RIGAEYNDGSOBEN-FQEVSTJZSA-N 0 0 483.634 3.306 50 0 JGAARN C[C@@H](C(=O)NCCCN1CCOCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562052 569704543 /nfs/dbraw/zinc/70/45/43/569704543.db2.gz ANJPQZRRMLOPHB-QGZVFWFLSA-N 0 0 461.006 3.148 50 0 JGAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc2)cc1 ZINC000078958465 569706716 /nfs/dbraw/zinc/70/67/16/569706716.db2.gz VUYQASBJZIDICK-UHFFFAOYSA-N 0 0 484.578 3.235 50 0 JGAARN Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000035684904 569706783 /nfs/dbraw/zinc/70/67/83/569706783.db2.gz CVVRFMRXCZTTOH-MRXNPFEDSA-N 0 0 459.915 3.331 50 0 JGAARN 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/nfs/dbraw/zinc/71/58/62/569715862.db2.gz CPQJBHWAAIAKDM-SFHVURJKSA-N 0 0 487.464 3.479 50 0 biogenic JGAARN NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)cc1 ZINC000086057444 569717324 /nfs/dbraw/zinc/71/73/24/569717324.db2.gz UHDHMKGGHABGLY-MRXNPFEDSA-N 0 0 470.938 3.054 50 0 JGAARN CCc1cc2c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc(=O)oc2cc1O ZINC000089283000 569718175 /nfs/dbraw/zinc/71/81/75/569718175.db2.gz JGWPHRFKRIOTOY-UHFFFAOYSA-N 0 0 462.955 3.221 50 0 JGAARN C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000089448422 569718253 /nfs/dbraw/zinc/71/82/53/569718253.db2.gz QXWWKRSSPAJLEI-GJZGRUSLSA-N 0 0 466.508 3.475 50 0 JGAARN COc1ccc([C@H]2[C@@H](O)C(c3c[nH]c4ccccc43)=NN2C(=O)CSc2nncs2)cc1 ZINC000089439006 569718398 /nfs/dbraw/zinc/71/83/98/569718398.db2.gz PPMGHUITAVXMEY-SFTDATJTSA-N 0 0 465.560 3.469 50 0 JGAARN COc1ccc2c(c1)N1CCN(c3ccccc3OC)C[C@@H]1[C@H](C(=O)NCCc1ccccn1)C2 ZINC000035871805 569719074 /nfs/dbraw/zinc/71/90/74/569719074.db2.gz WEEUMAPVZSIHCW-ZEQKJWHPSA-N 0 0 472.589 3.325 50 0 JGAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1ccccc1F ZINC000089814133 569719945 /nfs/dbraw/zinc/71/99/45/569719945.db2.gz BRYCKHPVPMXEMA-UHFFFAOYSA-N 0 0 454.907 3.449 50 0 JGAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCO2 ZINC000089861196 569720202 /nfs/dbraw/zinc/72/02/02/569720202.db2.gz HJAPOJUEMWLXLV-UHFFFAOYSA-N 0 0 479.510 3.202 50 0 JGAARN CCN1CCc2c(sc3nc(C)nc(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)c32)C1 ZINC000035888282 569721302 /nfs/dbraw/zinc/72/13/02/569721302.db2.gz PYZDBLSYCSQTRV-UHFFFAOYSA-N 0 0 465.579 3.069 50 0 JGAARN COc1ccccc1CN1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000095348997 569722380 /nfs/dbraw/zinc/72/23/80/569722380.db2.gz FGYPKBMNDXGNHS-UHFFFAOYSA-N 0 0 478.362 3.061 50 0 JGAARN COc1cccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000095400480 569723092 /nfs/dbraw/zinc/72/30/92/569723092.db2.gz RRCZEYNXOVZMKO-MRXNPFEDSA-N 0 0 496.326 3.304 50 0 JGAARN CCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nccs2)c(=O)c2cc3c(cc21)OCO3 ZINC000095471230 569723412 /nfs/dbraw/zinc/72/34/12/569723412.db2.gz NMPIQHDVUKGBDE-GOSISDBHSA-N 0 0 490.541 3.186 50 0 JGAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)C(=O)Nc2c1cc(Cl)cc2Cl ZINC000095474735 569724248 /nfs/dbraw/zinc/72/42/48/569724248.db2.gz HCCVYRHIVWMMRX-IBGZPJMESA-N 0 0 455.265 3.384 50 0 JGAARN COC(=O)c1nc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)sc1-c1ccccc1 ZINC000095478766 569724536 /nfs/dbraw/zinc/72/45/36/569724536.db2.gz GGPLPKOPEPKVBO-UHFFFAOYSA-N 0 0 493.541 3.608 50 0 JGAARN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 ZINC000095482545 569724999 /nfs/dbraw/zinc/72/49/99/569724999.db2.gz MKSAXPMCHFPRRI-QGZVFWFLSA-N 0 0 450.004 3.384 50 0 JGAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000095537808 569726134 /nfs/dbraw/zinc/72/61/34/569726134.db2.gz UOXSQCDUTCRPHJ-UHFFFAOYSA-N 0 0 458.506 3.246 50 0 JGAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095538618 569726203 /nfs/dbraw/zinc/72/62/03/569726203.db2.gz KDOWMTDNZDRVNY-UHFFFAOYSA-N 0 0 458.506 3.246 50 0 JGAARN O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000095541002 569726596 /nfs/dbraw/zinc/72/65/96/569726596.db2.gz KFHDQMORYSRCTL-UHFFFAOYSA-N 0 0 487.482 3.384 50 0 JGAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccncc4)n3c2=O)nn1-c1ccccc1 ZINC000035911571 569726760 /nfs/dbraw/zinc/72/67/60/569726760.db2.gz BVIZUSJCCSIFSE-UHFFFAOYSA-N 0 0 470.558 3.479 50 0 JGAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000095544384 569726788 /nfs/dbraw/zinc/72/67/88/569726788.db2.gz FDDKDVAQYZZMMG-UHFFFAOYSA-N 0 0 491.567 3.492 50 0 JGAARN Cc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCC1 ZINC000095545044 569726928 /nfs/dbraw/zinc/72/69/28/569726928.db2.gz AIPLVOHNRPXMDD-UHFFFAOYSA-N 0 0 463.556 3.324 50 0 JGAARN COCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(Cl)ccc4C)n3)c(=O)n12 ZINC000035911991 569727035 /nfs/dbraw/zinc/72/70/35/569727035.db2.gz ZOHGTQWDIUPOOK-UHFFFAOYSA-N 0 0 485.997 3.492 50 0 JGAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21)N1CCCCC1 ZINC000095545982 569727131 /nfs/dbraw/zinc/72/71/31/569727131.db2.gz HISIRCMUQBOZMD-UHFFFAOYSA-N 0 0 477.583 3.083 50 0 JGAARN COc1ccc(Cl)cc1NC(=O)Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O ZINC000095546836 569727275 /nfs/dbraw/zinc/72/72/75/569727275.db2.gz BBUUEQZAQMWMMC-UHFFFAOYSA-N 0 0 466.860 3.251 50 0 JGAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccs3)ccc21)N1CCCCC1 ZINC000095841901 569728982 /nfs/dbraw/zinc/72/89/82/569728982.db2.gz AQQYFROCFYTQPC-UHFFFAOYSA-N 0 0 465.622 3.006 50 0 JGAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000095841975 569729056 /nfs/dbraw/zinc/72/90/56/569729056.db2.gz LEGJXQGMRBKSOC-UHFFFAOYSA-N 0 0 496.010 3.075 50 0 JGAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1 ZINC000095851210 569729094 /nfs/dbraw/zinc/72/90/94/569729094.db2.gz IFGCNKGHEIUNKM-UHFFFAOYSA-N 0 0 475.592 3.275 50 0 JGAARN C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000095903340 569729422 /nfs/dbraw/zinc/72/94/22/569729422.db2.gz RAZZYFNQQDIKGG-NLFFAJNJSA-N 0 0 455.574 3.041 50 0 JGAARN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000095903344 569729447 /nfs/dbraw/zinc/72/94/47/569729447.db2.gz RAZZYFNQQDIKGG-CJFMBICVSA-N 0 0 455.574 3.041 50 0 JGAARN CC(C)C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000095947654 569731234 /nfs/dbraw/zinc/73/12/34/569731234.db2.gz LTGPIVUGACXGJA-GBESFXJTSA-N 0 0 478.515 3.115 50 0 JGAARN C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000095959472 569731691 /nfs/dbraw/zinc/73/16/91/569731691.db2.gz JIZKQUDFVYGJEI-ZDUSSCGKSA-N 0 0 459.553 3.323 50 0 JGAARN COCC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2ccc(OC)cc2)c1 ZINC000035944732 569732217 /nfs/dbraw/zinc/73/22/17/569732217.db2.gz OJQQUTALYPVPTK-QFIPXVFZSA-N 0 0 455.555 3.168 50 0 JGAARN CCOC(=O)N1CCN(C(=O)CC/C(C)=C/Cc2c(OC)c3c(c(C)c2OC)COC3=O)CC1 ZINC000096113744 569732870 /nfs/dbraw/zinc/73/28/70/569732870.db2.gz HMDFWCKCLAYECO-FRKPEAEDSA-N 0 0 474.554 3.252 50 0 biogenic JGAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2cc(C)on2)cc2c1OCO2 ZINC000096114454 569733412 /nfs/dbraw/zinc/73/34/12/569733412.db2.gz OIGPKIOEIHSMCT-XMSQKQJNSA-N 0 0 462.414 3.358 50 0 biogenic JGAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 ZINC000035946829 569734029 /nfs/dbraw/zinc/73/40/29/569734029.db2.gz GLNYLRLFLVCFPE-AREMUKBSSA-N 0 0 492.595 3.383 50 0 JGAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096114902 569734069 /nfs/dbraw/zinc/73/40/69/569734069.db2.gz KJKSXQMPWGSHMP-QFIPXVFZSA-N 0 0 473.533 3.152 50 0 biogenic JGAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1)C(C)=O ZINC000035947024 569734236 /nfs/dbraw/zinc/73/42/36/569734236.db2.gz ITKDKZHQQNQVMB-OAQYLSRUSA-N 0 0 457.502 3.016 50 0 JGAARN NC(=O)COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115259 569734331 /nfs/dbraw/zinc/73/43/31/569734331.db2.gz INAPMGHJKHRLKP-QGZVFWFLSA-N 0 0 473.437 3.176 50 0 biogenic JGAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000096115239 569734334 /nfs/dbraw/zinc/73/43/34/569734334.db2.gz PXQDBPZHRNOOPB-HNNXBMFYSA-N 0 0 450.476 3.008 50 0 biogenic JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC)C(=O)C1CC1 ZINC000035947695 569734642 /nfs/dbraw/zinc/73/46/42/569734642.db2.gz PSWQTLFCVVMAKI-QHCPKHFHSA-N 0 0 465.550 3.267 50 0 JGAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2cc(C)on2)cc(OC)c1O ZINC000096115885 569734796 /nfs/dbraw/zinc/73/47/96/569734796.db2.gz XJXJORCCHALKLT-AVRDEDQJSA-N 0 0 464.430 3.344 50 0 biogenic JGAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 ZINC000035948183 569735046 /nfs/dbraw/zinc/73/50/46/569735046.db2.gz OLAHQBFIQHDQHP-SANMLTNESA-N 0 0 492.595 3.383 50 0 JGAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)ccc1OCC(N)=O ZINC000096116173 569735070 /nfs/dbraw/zinc/73/50/70/569735070.db2.gz XHNPKGJXYIXEDX-RCZVLFRGSA-N 0 0 486.480 3.197 50 0 biogenic JGAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OCC(N)=O ZINC000096116673 569735422 /nfs/dbraw/zinc/73/54/22/569735422.db2.gz DIAATIICOIQSCC-KUHUBIRLSA-N 0 0 460.556 3.065 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000035948842 569735655 /nfs/dbraw/zinc/73/56/55/569735655.db2.gz AVQBQXGMHKNDHD-HSZRJFAPSA-N 0 0 452.555 3.359 50 0 JGAARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035949141 569735862 /nfs/dbraw/zinc/73/58/62/569735862.db2.gz JNSPSHHLNATRIE-JOCHJYFZSA-N 0 0 468.554 3.442 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035949068 569735880 /nfs/dbraw/zinc/73/58/80/569735880.db2.gz IFKVECBMULGWKO-QFIPXVFZSA-N 0 0 456.518 3.190 50 0 JGAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(C)cc1 ZINC000035949309 569735980 /nfs/dbraw/zinc/73/59/80/569735980.db2.gz BJHAHWNIZYKSDN-HHHXNRCGSA-N 0 0 476.621 3.470 50 0 JGAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(F)cc1 ZINC000035949430 569736193 /nfs/dbraw/zinc/73/61/93/569736193.db2.gz XFNPQFHUANRXTR-SANMLTNESA-N 0 0 480.584 3.301 50 0 JGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1/N=C(c2ccccc2Br)OC1=O ZINC000096134149 569736396 /nfs/dbraw/zinc/73/63/96/569736396.db2.gz LAPJVOQOZOCWFM-OXFWXOROSA-N 0 0 484.759 3.312 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000035960403 569736443 /nfs/dbraw/zinc/73/64/43/569736443.db2.gz AKCRMVSXSRTMOW-QHCPKHFHSA-N 0 0 453.539 3.267 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1)C(=O)C1CC1 ZINC000035960515 569736526 /nfs/dbraw/zinc/73/65/26/569736526.db2.gz COMIBHAJRHUXRM-QHCPKHFHSA-N 0 0 483.540 3.406 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000035960686 569736606 /nfs/dbraw/zinc/73/66/06/569736606.db2.gz JXMPPAXXEJGMGD-JOCHJYFZSA-N 0 0 486.544 3.199 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000035960945 569736654 /nfs/dbraw/zinc/73/66/54/569736654.db2.gz GEIHMDCEZJYBGA-XMMPIXPASA-N 0 0 495.576 3.275 50 0 JGAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(C)=O ZINC000035961293 569736955 /nfs/dbraw/zinc/73/69/55/569736955.db2.gz NFLAJPNJHIRWQZ-AREMUKBSSA-N 0 0 492.620 3.170 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1OC ZINC000035961197 569736971 /nfs/dbraw/zinc/73/69/71/569736971.db2.gz YWPXFDQCOGIEMU-OAQYLSRUSA-N 0 0 456.518 3.190 50 0 JGAARN Cc1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C)c1 ZINC000096178817 569737043 /nfs/dbraw/zinc/73/70/43/569737043.db2.gz JFQWGNWPSLXXRJ-HSZRJFAPSA-N 0 0 487.600 3.110 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000035961448 569737080 /nfs/dbraw/zinc/73/70/80/569737080.db2.gz VSKVPRFVBHXPAM-QHCPKHFHSA-N 0 0 453.514 3.397 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C1CC1 ZINC000035961539 569737103 /nfs/dbraw/zinc/73/71/03/569737103.db2.gz WDRZAQXDZZLFOU-JOCHJYFZSA-N 0 0 483.540 3.406 50 0 JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961662 569737209 /nfs/dbraw/zinc/73/72/09/569737209.db2.gz LFBLLYKZNJCUKV-QFIPXVFZSA-N 0 0 486.613 3.382 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000035961950 569737331 /nfs/dbraw/zinc/73/73/31/569737331.db2.gz CLWUSRQIVFTJKW-HSZRJFAPSA-N 0 0 453.539 3.267 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl)C(=O)COC ZINC000035962066 569737504 /nfs/dbraw/zinc/73/75/04/569737504.db2.gz NEGYECZOJDZPHD-JOCHJYFZSA-N 0 0 473.957 3.148 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC)C(C)=O ZINC000035962669 569737741 /nfs/dbraw/zinc/73/77/41/569737741.db2.gz QQZWNEQSFSMROG-QFIPXVFZSA-N 0 0 457.502 3.016 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)NC(C)C ZINC000035963115 569737808 /nfs/dbraw/zinc/73/78/08/569737808.db2.gz KAZFEXNERYSVJT-XMMPIXPASA-N 0 0 482.581 3.448 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1 ZINC000035963087 569737873 /nfs/dbraw/zinc/73/78/73/569737873.db2.gz HCNWGGILYXVHNJ-HSZRJFAPSA-N 0 0 452.555 3.359 50 0 JGAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000096210255 569737940 /nfs/dbraw/zinc/73/79/40/569737940.db2.gz VAMHGYGHWKQSCV-OAQYLSRUSA-N 0 0 461.534 3.004 50 0 JGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000096210206 569738001 /nfs/dbraw/zinc/73/80/01/569738001.db2.gz OPUXILMUPYZWNP-QHCPKHFHSA-N 0 0 497.567 3.080 50 0 JGAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)N(Cc2ccco2)C1=O ZINC000096211066 569738266 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ZINC000012817719 195147716 /nfs/dbraw/zinc/14/77/16/195147716.db2.gz FUMXITAEEGETMI-JTSKRJEESA-N 0 0 465.531 3.369 50 0 JGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 ZINC000012818732 195148252 /nfs/dbraw/zinc/14/82/52/195148252.db2.gz KTPTTZBCCNIVPL-SFHVURJKSA-N 0 0 497.646 3.457 50 0 JGAARN O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(I)cc1 ZINC000012823138 195150273 /nfs/dbraw/zinc/15/02/73/195150273.db2.gz BEWFTXLUKVZICR-UHFFFAOYSA-N 0 0 484.359 3.396 50 0 JGAARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012824161 195150486 /nfs/dbraw/zinc/15/04/86/195150486.db2.gz WYMOIODFXVPQNQ-DEOSSOPVSA-N 0 0 454.530 3.189 50 0 JGAARN COC(=O)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000012845902 195152210 /nfs/dbraw/zinc/15/22/10/195152210.db2.gz KXMSDHIEHYXUSB-SFHVURJKSA-N 0 0 450.944 3.159 50 0 JGAARN Cc1c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cnn1-c1ccc(C)cc1 ZINC000012849679 195153937 /nfs/dbraw/zinc/15/39/37/195153937.db2.gz NODMVEZYOCVVDL-GOSISDBHSA-N 0 0 498.605 3.148 50 0 JGAARN Cc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000012852377 195155282 /nfs/dbraw/zinc/15/52/82/195155282.db2.gz MWLCINXOZWFOPH-UHFFFAOYSA-N 0 0 450.923 3.344 50 0 JGAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012852775 195155414 /nfs/dbraw/zinc/15/54/14/195155414.db2.gz ZYMQOPPIEPLDJQ-UHFFFAOYSA-N 0 0 466.346 3.394 50 0 JGAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)c(=O)c12 ZINC000012853212 195155696 /nfs/dbraw/zinc/15/56/96/195155696.db2.gz CKNGWHQAHPBLTN-GOSISDBHSA-N 0 0 497.598 3.242 50 0 JGAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000012853408 195155748 /nfs/dbraw/zinc/15/57/48/195155748.db2.gz HUZZXQYZKFNMQZ-UHFFFAOYSA-N 0 0 476.961 3.428 50 0 JGAARN O=C(c1ccc(OC(F)F)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000012853370 195155755 /nfs/dbraw/zinc/15/57/55/195155755.db2.gz ZJQKTNZPRIDPSU-UHFFFAOYSA-N 0 0 460.868 3.450 50 0 JGAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)c12 ZINC000012853642 195156024 /nfs/dbraw/zinc/15/60/24/195156024.db2.gz INEHKRRREHJMDL-UHFFFAOYSA-N 0 0 495.649 3.426 50 0 JGAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012856215 195157521 /nfs/dbraw/zinc/15/75/21/195157521.db2.gz YJXLQDQXKTZKGP-UHFFFAOYSA-N 0 0 463.408 3.277 50 0 JGAARN Cn1c2ccccc2n(CCC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1=O ZINC000012857396 195158240 /nfs/dbraw/zinc/15/82/40/195158240.db2.gz RXIDZWGYHOUOPO-UHFFFAOYSA-N 0 0 463.563 3.329 50 0 JGAARN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cc2)n1 ZINC000012858141 195158558 /nfs/dbraw/zinc/15/85/58/195158558.db2.gz BTFAOVXIGFPXFD-UHFFFAOYSA-N 0 0 457.556 3.133 50 0 JGAARN COc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012866024 195161389 /nfs/dbraw/zinc/16/13/89/195161389.db2.gz VCEKSUPRPVJXEC-GOSISDBHSA-N 0 0 466.600 3.064 50 0 JGAARN COc1ccc([C@@H]2N(C(=O)CN3CCCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867521 195161875 /nfs/dbraw/zinc/16/18/75/195161875.db2.gz ILJUMKYNKLVERG-RUZDIDTESA-N 0 0 471.623 3.411 50 0 JGAARN COc1ccc([C@@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867533 195161980 /nfs/dbraw/zinc/16/19/80/195161980.db2.gz SSUALDAAODQPGB-XMMPIXPASA-N 0 0 457.596 3.021 50 0 JGAARN O=C(OCc1csc(COc2ccc(F)cc2)n1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000012868091 195162272 /nfs/dbraw/zinc/16/22/72/195162272.db2.gz FNOZCFSJJWQIMW-UHFFFAOYSA-N 0 0 455.467 3.270 50 0 JGAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012870122 195163057 /nfs/dbraw/zinc/16/30/57/195163057.db2.gz CCQPWILOLZADDU-HNNXBMFYSA-N 0 0 456.395 3.468 50 0 JGAARN C[C@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012870405 195163153 /nfs/dbraw/zinc/16/31/53/195163153.db2.gz JIIQMVLXLLJGRL-AWEZNQCLSA-N 0 0 477.410 3.196 50 0 JGAARN COC(CN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O)OC ZINC000012870322 195163195 /nfs/dbraw/zinc/16/31/95/195163195.db2.gz OKAKEGPFQNZIFK-NSYGIPOTSA-N 0 0 467.953 3.472 50 0 biogenic JGAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012871238 195163575 /nfs/dbraw/zinc/16/35/75/195163575.db2.gz WQBCMJPTMPNMNL-QGZVFWFLSA-N 0 0 471.558 3.027 50 0 JGAARN C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000012871635 195163851 /nfs/dbraw/zinc/16/38/51/195163851.db2.gz QJKGXWZCLUMIOI-JTQLQIEISA-N 0 0 461.824 3.094 50 0 JGAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000012871804 195163943 /nfs/dbraw/zinc/16/39/43/195163943.db2.gz OLLDCLFDLZHGPH-DENIHFKCSA-N 0 0 456.520 3.097 50 0 biogenic JGAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000012873413 195164592 /nfs/dbraw/zinc/16/45/92/195164592.db2.gz FNQSDYLFYYMRKX-QFIPXVFZSA-N 0 0 458.580 3.468 50 0 JGAARN C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012874167 195165175 /nfs/dbraw/zinc/16/51/75/195165175.db2.gz YBNDLALHDCJUOU-HNNXBMFYSA-N 0 0 473.580 3.426 50 0 JGAARN CCC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000012875394 195165700 /nfs/dbraw/zinc/16/57/00/195165700.db2.gz QBVCEBXZCWHGBO-HXUWFJFHSA-N 0 0 472.563 3.078 50 0 JGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3C[C@H](C)O[C@@H](C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012877022 195166588 /nfs/dbraw/zinc/16/65/88/195166588.db2.gz WTMHRKQOXGBBNU-QYWGDWMGSA-N 0 0 482.577 3.477 50 0 biogenic JGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012877460 195166954 /nfs/dbraw/zinc/16/69/54/195166954.db2.gz OXNVAPPAOADWMV-KRWDZBQOSA-N 0 0 457.534 3.197 50 0 JGAARN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000012880667 195168385 /nfs/dbraw/zinc/16/83/85/195168385.db2.gz AJBZCFKOAUGLSR-OAHLLOKOSA-N 0 0 464.971 3.389 50 0 JGAARN O=C(CSc1ccc(Br)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012883219 195169450 /nfs/dbraw/zinc/16/94/50/195169450.db2.gz WBQCSHMQSMQBJM-LJQANCHMSA-N 0 0 477.380 3.052 50 0 JGAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012883536 195169799 /nfs/dbraw/zinc/16/97/99/195169799.db2.gz UXNQNPOQYVUKTO-UHFFFAOYSA-N 0 0 465.550 3.405 50 0 JGAARN O=C(CSc1ccc2ccccc2c1)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012886156 195170474 /nfs/dbraw/zinc/17/04/74/195170474.db2.gz GBNQTQRXKPTMJV-HXUWFJFHSA-N 0 0 461.605 3.433 50 0 JGAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012886843 195170656 /nfs/dbraw/zinc/17/06/56/195170656.db2.gz WBLDLYTXROMOHQ-HNNXBMFYSA-N 0 0 456.395 3.468 50 0 JGAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012886735 195170779 /nfs/dbraw/zinc/17/07/79/195170779.db2.gz HMVKOKKAEYWATN-OAHLLOKOSA-N 0 0 465.978 3.301 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CC1 ZINC000012886822 195170787 /nfs/dbraw/zinc/17/07/87/195170787.db2.gz UQKXOZMHNISVTL-AFTOMVDISA-N 0 0 470.573 3.447 50 0 biogenic JGAARN COc1ccc(OCCNC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2F)cc1 ZINC000012887510 195171137 /nfs/dbraw/zinc/17/11/37/195171137.db2.gz DYXZTKMTWUSVRN-HSZRJFAPSA-N 0 0 484.549 3.145 50 0 JGAARN CC(C)OCCCNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012887573 195171188 /nfs/dbraw/zinc/17/11/88/195171188.db2.gz CJPOILWVIULFMZ-XPEQFSOGSA-N 0 0 488.588 3.074 50 0 biogenic JGAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CC1 ZINC000012887328 195171253 /nfs/dbraw/zinc/17/12/53/195171253.db2.gz SJKOCRICVAZLJA-SONWIMMPSA-N 0 0 470.573 3.447 50 0 biogenic JGAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012888263 195171399 /nfs/dbraw/zinc/17/13/99/195171399.db2.gz AFQIFXICWAUXAX-BPYKYCOYSA-N 0 0 495.601 3.221 50 0 biogenic JGAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC(C)C ZINC000012888314 195171620 /nfs/dbraw/zinc/17/16/20/195171620.db2.gz QWIJMNQOWODVLQ-DCLXLUIPSA-N 0 0 475.655 3.497 50 0 biogenic JGAARN CCN(C(=O)[C@@H](C)OC(=O)c1ccccc1SCc1cscn1)[C@@H]1CCS(=O)(=O)C1 ZINC000012888945 195171860 /nfs/dbraw/zinc/17/18/60/195171860.db2.gz IPYJCOVRICCJGS-GDBMZVCRSA-N 0 0 468.622 3.016 50 0 JGAARN CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000012891372 195173052 /nfs/dbraw/zinc/17/30/52/195173052.db2.gz GQOALVUYAMFNKK-AWEZNQCLSA-N 0 0 453.914 3.006 50 0 JGAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cs1 ZINC000012892124 195173590 /nfs/dbraw/zinc/17/35/90/195173590.db2.gz VEAQUXCUBFJKFA-JCGIZDLHSA-N 0 0 485.562 3.443 50 0 JGAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](C)C(=O)NC(C)C)cc1 ZINC000012893290 195174206 /nfs/dbraw/zinc/17/42/06/195174206.db2.gz SLHUNGSMGGNQGT-HJPURHCSSA-N 0 0 455.555 3.283 50 0 biogenic JGAARN COc1ccc(CNC(=O)[C@@H](NC(=O)N2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc1 ZINC000012894330 195174621 /nfs/dbraw/zinc/17/46/21/195174621.db2.gz TUOPMTVCAUZSBZ-QHCPKHFHSA-N 0 0 455.555 3.121 50 0 biogenic JGAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012897438 195175836 /nfs/dbraw/zinc/17/58/36/195175836.db2.gz NJFVLQIKBBEQJX-QPJJXVBHSA-N 0 0 497.539 3.111 50 0 JGAARN COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)c2c1 ZINC000012897853 195176024 /nfs/dbraw/zinc/17/60/24/195176024.db2.gz JUQDJYKZTXQKLK-UHFFFAOYSA-N 0 0 484.556 3.446 50 0 biogenic JGAARN COc1cc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000012897595 195176126 /nfs/dbraw/zinc/17/61/26/195176126.db2.gz IBJBJZPTYGGYRU-MRXNPFEDSA-N 0 0 494.544 3.494 50 0 JGAARN C[C@]12C(=O)N(c3ccccc3C(=O)NC[C@@H]3CCCO3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012863096 195160210 /nfs/dbraw/zinc/16/02/10/195160210.db2.gz ZOTWHTSKMBKRHU-QMTYFTJSSA-N 0 0 458.518 3.317 50 0 biogenic JGAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 ZINC000012863693 195160454 /nfs/dbraw/zinc/16/04/54/195160454.db2.gz DEHFWNBBXKARPP-UHFFFAOYSA-N 0 0 474.970 3.477 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c(C)c1 ZINC000012901536 195177642 /nfs/dbraw/zinc/17/76/42/195177642.db2.gz OUGLQLWOQILZNM-UHFFFAOYSA-N 0 0 458.580 3.100 50 0 JGAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C2=O ZINC000012903312 195178350 /nfs/dbraw/zinc/17/83/50/195178350.db2.gz YZDFQEXOKZKNGZ-UHFFFAOYSA-N 0 0 492.642 3.101 50 0 JGAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000012905419 195179325 /nfs/dbraw/zinc/17/93/25/195179325.db2.gz AFFWCPGEKKYPFD-FQEVSTJZSA-N 0 0 481.361 3.048 50 0 JGAARN COc1cc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OC(F)F ZINC000012905492 195179531 /nfs/dbraw/zinc/17/95/31/195179531.db2.gz LFNJBAYIDPMEIS-UHFFFAOYSA-N 0 0 468.522 3.444 50 0 JGAARN CCn1ncc(Cn2cc(Cl)c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)n2)c1C ZINC000020607516 195181447 /nfs/dbraw/zinc/18/14/47/195181447.db2.gz MXLSFVYBRYNBLM-UHFFFAOYSA-N 0 0 455.872 3.452 50 0 JGAARN 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ZINC000020778183 195224037 /nfs/dbraw/zinc/22/40/37/195224037.db2.gz JMXIBUJCUWBYBZ-FQEVSTJZSA-N 0 0 493.560 3.277 50 0 JGAARN CCCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc2ccccc2c1=O ZINC000020787324 195225318 /nfs/dbraw/zinc/22/53/18/195225318.db2.gz CABWKOYNVLPLRS-UHFFFAOYSA-N 0 0 488.635 3.486 50 0 JGAARN CCN1C(C(=O)OC)=C(OC(=O)COc2ccc3ccccc3c2)c2ccccc2S1(=O)=O ZINC000020894104 195238591 /nfs/dbraw/zinc/23/85/91/195238591.db2.gz ODYRTUMCQYEWCI-UHFFFAOYSA-N 0 0 467.499 3.328 50 0 JGAARN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020921008 195247986 /nfs/dbraw/zinc/24/79/86/195247986.db2.gz HDVAYQODFZZOOD-QGZVFWFLSA-N 0 0 469.943 3.217 50 0 JGAARN CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)Cc1csc(C)n1 ZINC000020905750 195244899 /nfs/dbraw/zinc/24/48/99/195244899.db2.gz PQQPFHIGPOJIDC-UHFFFAOYSA-N 0 0 451.552 3.298 50 0 JGAARN CCN1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCc3ccccc3F)C4=O)CC2)CC1 ZINC000020905581 195244974 /nfs/dbraw/zinc/24/49/74/195244974.db2.gz 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CCn1cc2nc(SCC(=O)Nc3ccc(OC)cc3)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000020981710 195259184 /nfs/dbraw/zinc/25/91/84/195259184.db2.gz ALRGSPSZCTVSMR-UHFFFAOYSA-N 0 0 479.562 3.409 50 0 JGAARN O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020925611 195248870 /nfs/dbraw/zinc/24/88/70/195248870.db2.gz USWRRKXOGDKEJI-UHFFFAOYSA-N 0 0 453.470 3.070 50 0 JGAARN COc1ccc(CN2CCN(C(=O)COCc3cc(-c4ccc(F)cc4)on3)CC2)c(OC)c1OC ZINC000020925692 195248888 /nfs/dbraw/zinc/24/88/88/195248888.db2.gz YDISNZJPXZPUER-UHFFFAOYSA-N 0 0 499.539 3.368 50 0 JGAARN O=C(NCc1ccccc1Br)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000020927550 195249647 /nfs/dbraw/zinc/24/96/47/195249647.db2.gz RCYHIZXTHMBPPW-FQEVSTJZSA-N 0 0 470.367 3.102 50 0 JGAARN O=C(NCc1cccc(Br)c1)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000020927566 195249677 /nfs/dbraw/zinc/24/96/77/195249677.db2.gz SMZFBMWYMBCNEZ-HXUWFJFHSA-N 0 0 470.367 3.102 50 0 JGAARN CCS(=O)(=O)N1CC(=O)N(c2cc(C)cc(C)c2)[C@@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928305 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O=C(COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC[C@H]1CCCO1 ZINC000008825507 554713945 /nfs/dbraw/zinc/71/39/45/554713945.db2.gz YANKXCDYAFZJNT-LJQANCHMSA-N 0 0 480.439 3.175 50 0 JGAARN CCC(CC)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000008828842 554719225 /nfs/dbraw/zinc/71/92/25/554719225.db2.gz SDJDAGIMACHYKY-UHFFFAOYSA-N 0 0 458.511 3.183 50 0 JGAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000008829141 554719433 /nfs/dbraw/zinc/71/94/33/554719433.db2.gz GPJBTONXLQMJLQ-APTRMMRNSA-N 0 0 477.026 3.383 50 0 JGAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[nH]n32)c1 ZINC000008831198 554721592 /nfs/dbraw/zinc/72/15/92/554721592.db2.gz CVGPCVBHGODCAI-UHFFFAOYSA-N 0 0 451.508 3.141 50 0 JGAARN COc1ccc(C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000008834606 554732550 /nfs/dbraw/zinc/73/25/50/554732550.db2.gz YJDSFJLBKGDJPK-UHFFFAOYSA-N 0 0 468.487 3.184 50 0 JGAARN 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Cc1sc2ncnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1C ZINC000008861119 554757965 /nfs/dbraw/zinc/75/79/65/554757965.db2.gz PEWRHOOABOBNDY-UHFFFAOYSA-N 0 0 478.621 3.060 50 0 JGAARN Cc1ccnn1-c1ccc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000008862253 554759904 /nfs/dbraw/zinc/75/99/04/554759904.db2.gz GBXUUTIFIAWFPY-UHFFFAOYSA-N 0 0 451.486 3.321 50 0 JGAARN O=C(COc1ccc(Br)cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000008868696 554762368 /nfs/dbraw/zinc/76/23/68/554762368.db2.gz BKXHYPOWRZQYKQ-MRXNPFEDSA-N 0 0 456.333 3.183 50 0 JGAARN CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008868635 554762381 /nfs/dbraw/zinc/76/23/81/554762381.db2.gz WAGZHQYGNQJXFI-AWEZNQCLSA-N 0 0 455.989 3.080 50 0 JGAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccccc1 ZINC000008876182 554771286 /nfs/dbraw/zinc/77/12/86/554771286.db2.gz CKTRRGHLZIBSOV-ROKPMTFOSA-N 0 0 451.592 3.492 50 0 biogenic JGAARN CSc1nc2nc(C)c(CCC(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n2n1 ZINC000008877423 554772719 /nfs/dbraw/zinc/77/27/19/554772719.db2.gz OUHMJZBLGDXGPK-UHFFFAOYSA-N 0 0 496.515 3.391 50 0 JGAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000008878758 554774319 /nfs/dbraw/zinc/77/43/19/554774319.db2.gz PIKBBBGVLUZLEU-UHFFFAOYSA-N 0 0 460.284 3.072 50 0 JGAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000008878820 554774495 /nfs/dbraw/zinc/77/44/95/554774495.db2.gz STYPRKFLWKSHTG-UHFFFAOYSA-N 0 0 485.562 3.073 50 0 JGAARN CCn1cc(C(=O)NCCCCCC(=O)NCCc2ccc(O)cc2)c(=O)c2cc3c(cc21)OCO3 ZINC000008880041 554775617 /nfs/dbraw/zinc/77/56/17/554775617.db2.gz MPUXJZGNLGTLTC-UHFFFAOYSA-N 0 0 493.560 3.105 50 0 biogenic JGAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000008880704 554776095 /nfs/dbraw/zinc/77/60/95/554776095.db2.gz OTNXWEZVKZLGKO-FGZHOGPDSA-N 0 0 476.533 3.012 50 0 JGAARN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000008880971 554776223 /nfs/dbraw/zinc/77/62/23/554776223.db2.gz XIQLRRSYGQKDOS-LJQANCHMSA-N 0 0 450.516 3.224 50 0 JGAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882554 554777270 /nfs/dbraw/zinc/77/72/70/554777270.db2.gz OMJAKEGGTULUKT-UHFFFAOYSA-N 0 0 487.585 3.222 50 0 JGAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000008883041 554777805 /nfs/dbraw/zinc/77/78/05/554777805.db2.gz FOYUEOFZTBVMRF-UHFFFAOYSA-N 0 0 475.998 3.081 50 0 JGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc(Br)ccc1O ZINC000008883426 554778200 /nfs/dbraw/zinc/77/82/00/554778200.db2.gz ANMJTFXKPJVNML-UHFFFAOYSA-N 0 0 455.692 3.062 50 0 JGAARN CC(C)OC(=O)c1c2c(sc1NC(=O)COC(=O)Cc1n[nH]c(=O)c3ccccc13)C[C@H](C)CC2 ZINC000008883359 554778227 /nfs/dbraw/zinc/77/82/27/554778227.db2.gz OCXCXVILZVRLRR-CQSZACIVSA-N 0 0 497.573 3.399 50 0 JGAARN CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)CC1 ZINC000008883801 554778361 /nfs/dbraw/zinc/77/83/61/554778361.db2.gz VNXGAEOBTNXUGO-UHFFFAOYSA-N 0 0 476.624 3.399 50 0 JGAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008894519 554783780 /nfs/dbraw/zinc/78/37/80/554783780.db2.gz SNTDHYDOBJXYEN-IBGZPJMESA-N 0 0 479.587 3.128 50 0 JGAARN COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)C(=O)N(C4CCCC4)C3=O)c2C)cc1OC ZINC000008894545 554783870 /nfs/dbraw/zinc/78/38/70/554783870.db2.gz MJPFQSNDVAIKTD-UHFFFAOYSA-N 0 0 481.549 3.281 50 0 JGAARN CCCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008895414 554785119 /nfs/dbraw/zinc/78/51/19/554785119.db2.gz YLKMZORATLBYSU-UHFFFAOYSA-N 0 0 498.996 3.232 50 0 JGAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008896931 554787118 /nfs/dbraw/zinc/78/71/18/554787118.db2.gz RSGUZHCUYAIORG-OAQYLSRUSA-N 0 0 471.579 3.018 50 0 JGAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000008897671 554787941 /nfs/dbraw/zinc/78/79/41/554787941.db2.gz OENRUURQCDDHCZ-UHFFFAOYSA-N 0 0 483.590 3.136 50 0 JGAARN COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008899330 554790224 /nfs/dbraw/zinc/79/02/24/554790224.db2.gz YEYIKEXPBYSEAF-FNZWTVRRSA-N 0 0 460.534 3.145 50 0 JGAARN O=C(NCCc1cccs1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000008900550 554793109 /nfs/dbraw/zinc/79/31/09/554793109.db2.gz YMYBRVJIIFIODR-UHFFFAOYSA-N 0 0 473.595 3.371 50 0 JGAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2C[C@@H](C)O[C@H](C)C2)s1 ZINC000008912433 554802686 /nfs/dbraw/zinc/80/26/86/554802686.db2.gz GPCMVXITNQSGNA-VXGBXAGGSA-N 0 0 465.018 3.037 50 0 JGAARN NC(=O)c1c2c(sc1NC(=O)c1nc(S(=O)(=O)Cc3ccccc3)ncc1Cl)CCCC2 ZINC000008917175 554812078 /nfs/dbraw/zinc/81/20/78/554812078.db2.gz CMEXPMDYIGUNSR-UHFFFAOYSA-N 0 0 490.994 3.395 50 0 JGAARN COc1ccc(CCNC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1OC ZINC000008917390 554812435 /nfs/dbraw/zinc/81/24/35/554812435.db2.gz LHPSHGJGWQTYFY-UHFFFAOYSA-N 0 0 493.944 3.233 50 0 JGAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917540 554812863 /nfs/dbraw/zinc/81/28/63/554812863.db2.gz RPZCXCVSMFZKBE-HRAATJIYSA-N 0 0 453.516 3.314 50 0 JGAARN Cc1cccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCC4)n2)c1 ZINC000008917577 554812869 /nfs/dbraw/zinc/81/28/69/554812869.db2.gz USASOXQZUKQIDO-KRWDZBQOSA-N 0 0 478.574 3.252 50 0 JGAARN CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc(=O)c2c1 ZINC000008917655 554813062 /nfs/dbraw/zinc/81/30/62/554813062.db2.gz RHVXEZKZQJCOTE-HOTGVXAUSA-N 0 0 470.547 3.406 50 0 JGAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCn4ccnc4)CC(=O)N23)c1OC ZINC000008918533 554815045 /nfs/dbraw/zinc/81/50/45/554815045.db2.gz GYGFEEPVXOTXAG-BKMJKUGQSA-N 0 0 499.571 3.157 50 0 biogenic JGAARN COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918811 554815776 /nfs/dbraw/zinc/81/57/76/554815776.db2.gz CYPFAVMABMIKHZ-UHFFFAOYSA-N 0 0 458.511 3.355 50 0 JGAARN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc(I)c1O ZINC000008919594 554816220 /nfs/dbraw/zinc/81/62/20/554816220.db2.gz KPHSPVFYASEKQB-HNNXBMFYSA-N 0 0 471.320 3.484 50 0 JGAARN C[C@@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000008923940 554821064 /nfs/dbraw/zinc/82/10/64/554821064.db2.gz SXVQXLOGYHARNP-CQSZACIVSA-N 0 0 468.583 3.087 50 0 JGAARN Cn1c2nc(NCc3ccc4c(c3)OCO4)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000008934450 554829051 /nfs/dbraw/zinc/82/90/51/554829051.db2.gz HEAHETBZISRQSM-UHFFFAOYSA-N 0 0 488.331 3.130 50 0 biogenic JGAARN Cc1cccc2c(=O)n(CC(=O)Nc3ccnn3Cc3ccc(Br)cc3)cnc12 ZINC000008941859 554832013 /nfs/dbraw/zinc/83/20/13/554832013.db2.gz IDMWAEBFKUTRPA-UHFFFAOYSA-N 0 0 452.312 3.351 50 0 JGAARN O=C(NCc1cnn(-c2ccccc2)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000008942171 554832140 /nfs/dbraw/zinc/83/21/40/554832140.db2.gz JOGXYPJFGIMGON-UHFFFAOYSA-N 0 0 495.388 3.130 50 0 JGAARN Cc1ccc(-c2csc3ncn(CC(=O)N(CC(C)C)[C@@H]4CCS(=O)(=O)C4)c(=O)c23)cc1C ZINC000008943245 554832365 /nfs/dbraw/zinc/83/23/65/554832365.db2.gz PIGCXURLRMDXOI-LJQANCHMSA-N 0 0 487.647 3.414 50 0 JGAARN CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000008952449 554836107 /nfs/dbraw/zinc/83/61/07/554836107.db2.gz OSQXZUPZINJDEU-UHFFFAOYSA-N 0 0 479.986 3.221 50 0 JGAARN Cc1c2cnn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965377 554839736 /nfs/dbraw/zinc/83/97/36/554839736.db2.gz YICDOOBEHGNEGE-UHFFFAOYSA-N 0 0 473.552 3.351 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C(=O)Nc3ccccc3)CC2)cc1 ZINC000008965671 554840588 /nfs/dbraw/zinc/84/05/88/554840588.db2.gz BBFJIVOGASTNER-UHFFFAOYSA-N 0 0 493.585 3.159 50 0 JGAARN CC(C)c1ccc(-n2nnnc2SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1 ZINC000008965710 554840857 /nfs/dbraw/zinc/84/08/57/554840857.db2.gz WIVOCMLWRQTVRV-UHFFFAOYSA-N 0 0 471.608 3.224 50 0 JGAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000008966190 554842116 /nfs/dbraw/zinc/84/21/16/554842116.db2.gz ZXEPGTPUKZKHTI-UHFFFAOYSA-N 0 0 485.540 3.084 50 0 JGAARN COc1ccc([C@@H]2[C@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 ZINC000008969309 554843225 /nfs/dbraw/zinc/84/32/25/554843225.db2.gz QNWBJJHDGCDUMK-XPWALMASSA-N 0 0 474.513 3.498 50 0 JGAARN Cn1c2cc(Cl)c(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc54)CC3)cc2oc1=O ZINC000008971097 554843725 /nfs/dbraw/zinc/84/37/25/554843725.db2.gz PVWQUYGXDYVYFJ-UHFFFAOYSA-N 0 0 493.372 3.497 50 0 JGAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1 ZINC000008985976 554849074 /nfs/dbraw/zinc/84/90/74/554849074.db2.gz LJLPEYPAHPFPKF-FVIVVMBBSA-N 0 0 482.565 3.278 50 0 JGAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000008987077 554849767 /nfs/dbraw/zinc/84/97/67/554849767.db2.gz WEHLLHQIEXCWTI-QFIPXVFZSA-N 0 0 492.345 3.413 50 0 JGAARN COc1ccc(Oc2c(C)oc3cc(OCC(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1 ZINC000008990967 554852498 /nfs/dbraw/zinc/85/24/98/554852498.db2.gz CKVRXQUNVPXUNO-UHFFFAOYSA-N 0 0 466.490 3.005 50 0 JGAARN O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCc1cc2c(cc1Br)OCCO2 ZINC000009012011 554864524 /nfs/dbraw/zinc/86/45/24/554864524.db2.gz QIMXLOFBCSEGBL-UHFFFAOYSA-N 0 0 490.759 3.286 50 0 JGAARN Cc1cccc(-n2ncc3c2nc(SCC(=O)N2CCN(c4ccccc4)CC2)[nH]c3=O)c1 ZINC000009018904 554866788 /nfs/dbraw/zinc/86/67/88/554866788.db2.gz CASQVVUKHNJFHG-UHFFFAOYSA-N 0 0 460.563 3.270 50 0 JGAARN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009021681 554866974 /nfs/dbraw/zinc/86/69/74/554866974.db2.gz KXVRDVOKKFDHFH-DOMZBBRYSA-N 0 0 466.947 3.430 50 0 JGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000009034060 554868299 /nfs/dbraw/zinc/86/82/99/554868299.db2.gz MNVNOCJZMRGAPO-XOBRGWDASA-N 0 0 480.395 3.401 50 0 biogenic JGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000009041917 554869034 /nfs/dbraw/zinc/86/90/34/554869034.db2.gz DAACLAFXBIVWMI-XOBRGWDASA-N 0 0 493.285 3.404 50 0 biogenic JGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000009051838 554872412 /nfs/dbraw/zinc/87/24/12/554872412.db2.gz KSHCTARRRKMJNX-LPHOPBHVSA-N 0 0 476.668 3.209 50 0 JGAARN Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)o1 ZINC000009056714 554875437 /nfs/dbraw/zinc/87/54/37/554875437.db2.gz QNRHPCIPDOCSLU-UHFFFAOYSA-N 0 0 499.574 3.408 50 0 JGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000009057881 554876957 /nfs/dbraw/zinc/87/69/57/554876957.db2.gz OFMXUVIHGDZKSI-UHFFFAOYSA-N 0 0 473.558 3.405 50 0 JGAARN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)OCc1ccccc1 ZINC000009060777 554878879 /nfs/dbraw/zinc/87/88/79/554878879.db2.gz MWUKFNMFKHTZBE-MSOLQXFVSA-N 0 0 450.969 3.158 50 0 JGAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2NC(=O)c2ccccc2F)cc1 ZINC000009075846 554886965 /nfs/dbraw/zinc/88/69/65/554886965.db2.gz HSYPPANHHJQONX-LJQANCHMSA-N 0 0 472.542 3.106 50 0 JGAARN 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Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000024022642 556116520 /nfs/dbraw/zinc/11/65/20/556116520.db2.gz AJVZZUQUXCURML-VWLOTQADSA-N 0 0 467.997 3.263 50 0 JGAARN O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NC(c1ccccc1)c1ccccc1 ZINC000016028248 556116737 /nfs/dbraw/zinc/11/67/37/556116737.db2.gz LDARMWYGJSYVFJ-NZQKXSOJSA-N 0 0 455.558 3.480 50 0 biogenic JGAARN COc1cc(OC)cc([C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c2nccn2C)c1 ZINC000024024443 556117346 /nfs/dbraw/zinc/11/73/46/556117346.db2.gz NPMSPJDPZRZDBJ-SBUREZEXSA-N 0 0 480.590 3.418 50 0 JGAARN CN1CCN(S(=O)(=O)c2ccc(Nc3nc(C(F)(F)F)nc4ccccc43)cc2)CC1 ZINC000024031849 556117630 /nfs/dbraw/zinc/11/76/30/556117630.db2.gz RYJMLQJQYRTEJJ-UHFFFAOYSA-N 0 0 451.474 3.328 50 0 JGAARN Cc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012857066 556118093 /nfs/dbraw/zinc/11/80/93/556118093.db2.gz STCDRERWVHTRDO-SFHVURJKSA-N 0 0 450.557 3.122 50 0 JGAARN O=C(NCc1ccc(-c2nn3cnnc3s2)cc1)c1cccc(I)c1 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/nfs/dbraw/zinc/12/33/36/556123336.db2.gz QQJSWRQWOVSIOT-KRWDZBQOSA-N 0 0 499.593 3.239 50 0 JGAARN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN1CCN(c2ccc(O)cc2)CC1 ZINC000024165296 556124697 /nfs/dbraw/zinc/12/46/97/556124697.db2.gz DVUGLELZYOUMNE-UHFFFAOYSA-N 0 0 483.638 3.259 50 0 JGAARN CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000016044673 556124961 /nfs/dbraw/zinc/12/49/61/556124961.db2.gz FHLPKOSTMYTXSN-UHFFFAOYSA-N 0 0 461.518 3.498 50 0 JGAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000024191642 556125472 /nfs/dbraw/zinc/12/54/72/556125472.db2.gz BPKCHOPRFFQHEO-UHFFFAOYSA-N 0 0 490.585 3.356 50 0 JGAARN Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCc2ccc(Cl)c(Cl)c2)cc1C ZINC000012907425 556126233 /nfs/dbraw/zinc/12/62/33/556126233.db2.gz GNBFISKYYYMIAM-DNVCBOLYSA-N 0 0 458.363 3.478 50 0 JGAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1)OCc1ccccc1 ZINC000012907658 556126553 /nfs/dbraw/zinc/12/65/53/556126553.db2.gz 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CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000012912815 556131935 /nfs/dbraw/zinc/13/19/35/556131935.db2.gz ZOEHJDKPDFUCFO-RTBURBONSA-N 0 0 485.606 3.213 50 0 JGAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000012912811 556131950 /nfs/dbraw/zinc/13/19/50/556131950.db2.gz ZOEHJDKPDFUCFO-OALUTQOASA-N 0 0 485.606 3.213 50 0 JGAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012913160 556132150 /nfs/dbraw/zinc/13/21/50/556132150.db2.gz UUYWSLXRQZSOFZ-MRXNPFEDSA-N 0 0 462.543 3.217 50 0 JGAARN COc1ccccc1-c1nn(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(=S)n1C ZINC000012913910 556132658 /nfs/dbraw/zinc/13/26/58/556132658.db2.gz YAYADBRLIAIXDV-GOSISDBHSA-N 0 0 458.609 3.273 50 0 JGAARN CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000024527649 556133956 /nfs/dbraw/zinc/13/39/56/556133956.db2.gz BVCXIJMARQVNQU-INIZCTEOSA-N 0 0 464.831 3.359 50 0 JGAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)[nH]c1=O ZINC000012915239 556134394 /nfs/dbraw/zinc/13/43/94/556134394.db2.gz RBPOMRKBUCTDPV-UHFFFAOYSA-N 0 0 493.004 3.355 50 0 JGAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc(OC)c1C ZINC000012915855 556135328 /nfs/dbraw/zinc/13/53/28/556135328.db2.gz NVPVDTBRHHOVBB-UHFFFAOYSA-N 0 0 458.580 3.038 50 0 JGAARN CCc1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccc(OC)nn1 ZINC000024546352 556135516 /nfs/dbraw/zinc/13/55/16/556135516.db2.gz SCQLWYFCHHKMSL-UHFFFAOYSA-N 0 0 460.460 3.215 50 0 JGAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc12 ZINC000012916692 556135859 /nfs/dbraw/zinc/13/58/59/556135859.db2.gz ZEDUHJUSGQTWLW-HXUWFJFHSA-N 0 0 468.579 3.187 50 0 JGAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000012917008 556136046 /nfs/dbraw/zinc/13/60/46/556136046.db2.gz NZMKFQSBBGGGBH-NZQKXSOJSA-N 0 0 498.567 3.467 50 0 JGAARN CCCn1c2ccccc2n(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c1=O ZINC000012917998 556137094 /nfs/dbraw/zinc/13/70/94/556137094.db2.gz VYEQQYLHWACYRL-UHFFFAOYSA-N 0 0 473.371 3.381 50 0 JGAARN Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(I)cc2)cc1 ZINC000012919919 556138796 /nfs/dbraw/zinc/13/87/96/556138796.db2.gz GIHFCRDOAFRREV-IBGZPJMESA-N 0 0 450.320 3.403 50 0 JGAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000024607085 556139026 /nfs/dbraw/zinc/13/90/26/556139026.db2.gz UZPBLMJBJPJGHJ-UHFFFAOYSA-N 0 0 476.042 3.226 50 0 JGAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000024609386 556140184 /nfs/dbraw/zinc/14/01/84/556140184.db2.gz MNDJJRBSSPXBSA-UHFFFAOYSA-N 0 0 459.587 3.025 50 0 JGAARN O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000024609847 556140427 /nfs/dbraw/zinc/14/04/27/556140427.db2.gz PDRFATBXMNIYQD-QPJJXVBHSA-N 0 0 485.625 3.225 50 0 JGAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC000024611984 556141487 /nfs/dbraw/zinc/14/14/87/556141487.db2.gz QJAGSSXTKAHVBV-UHFFFAOYSA-N 0 0 459.587 3.025 50 0 JGAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000024611980 556141496 /nfs/dbraw/zinc/14/14/96/556141496.db2.gz XZTFWLJJFDLJAY-UHFFFAOYSA-N 0 0 459.587 3.025 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012922889 556141613 /nfs/dbraw/zinc/14/16/13/556141613.db2.gz SVIMSXLVYKODBJ-UHFFFAOYSA-N 0 0 463.408 3.433 50 0 JGAARN O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000024613120 556141710 /nfs/dbraw/zinc/14/17/10/556141710.db2.gz MYCLWVSLRABORZ-RMKNXTFCSA-N 0 0 485.625 3.225 50 0 JGAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(CC)CC)c2)c1C ZINC000012924093 556142560 /nfs/dbraw/zinc/14/25/60/556142560.db2.gz JGMIKCFYZCKEPW-UHFFFAOYSA-N 0 0 465.572 3.490 50 0 JGAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc(Br)ccc2F)c(=O)[nH]c1=O ZINC000012924490 556142700 /nfs/dbraw/zinc/14/27/00/556142700.db2.gz YSBPAYUQZPGSHV-UHFFFAOYSA-N 0 0 479.306 3.261 50 0 JGAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)o1 ZINC000012925204 556143284 /nfs/dbraw/zinc/14/32/84/556143284.db2.gz CGZMYQDATBBQTO-ZDUSSCGKSA-N 0 0 450.542 3.444 50 0 JGAARN COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(OC)c1Br ZINC000012926530 556144587 /nfs/dbraw/zinc/14/45/87/556144587.db2.gz KTQUUSRWYVVKAY-UHFFFAOYSA-N 0 0 455.330 3.259 50 0 JGAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000024681556 556145306 /nfs/dbraw/zinc/14/53/06/556145306.db2.gz PWOAWSFXVLQXCE-INIZCTEOSA-N 0 0 472.430 3.045 50 0 JGAARN CCCn1c(C)cc(C(=O)COC(=O)C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1C ZINC000024683568 556145335 /nfs/dbraw/zinc/14/53/35/556145335.db2.gz AKSHPTNOEXIRCJ-UHFFFAOYSA-N 0 0 474.554 3.134 50 0 JGAARN Cc1ccccc1CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000012928889 556146470 /nfs/dbraw/zinc/14/64/70/556146470.db2.gz DRMUADLJQHPMNM-UHFFFAOYSA-N 0 0 457.379 3.295 50 0 JGAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc2ccc(Cl)cc21 ZINC000012929190 556146739 /nfs/dbraw/zinc/14/67/39/556146739.db2.gz YPQHKJXMCRYUTC-UHFFFAOYSA-N 0 0 487.796 3.390 50 0 JGAARN COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1S(=O)(=O)N1CCCC1 ZINC000012930505 556147340 /nfs/dbraw/zinc/14/73/40/556147340.db2.gz XSMPRSYOVSZMTM-UHFFFAOYSA-N 0 0 461.565 3.435 50 0 JGAARN O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000024732287 556147377 /nfs/dbraw/zinc/14/73/77/556147377.db2.gz UNQAXMHOBIQNCI-UHFFFAOYSA-N 0 0 459.380 3.487 50 0 JGAARN CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(-n3cncn3)cc2)NC(=S)N1 ZINC000024747606 556148101 /nfs/dbraw/zinc/14/81/01/556148101.db2.gz KUFKXYBUMVJEQK-GOSISDBHSA-N 0 0 469.368 3.461 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)C(C)C)c(C)c1 ZINC000016613347 556148335 /nfs/dbraw/zinc/14/83/35/556148335.db2.gz BTRIRVHDVDOYCD-UHFFFAOYSA-N 0 0 478.014 3.497 50 0 JGAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012931955 556148399 /nfs/dbraw/zinc/14/83/99/556148399.db2.gz 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ZINC000012801271 195139300 /nfs/dbraw/zinc/13/93/00/195139300.db2.gz DBKOMJMMTUHTLU-LJQANCHMSA-N 0 0 470.494 3.391 50 0 JGAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012802258 195139674 /nfs/dbraw/zinc/13/96/74/195139674.db2.gz ZHVCNBMRYRRFQW-NHCUHLMSSA-N 0 0 452.020 3.370 50 0 JGAARN Cc1nn([C@@H](C)C(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 ZINC000012802212 195139693 /nfs/dbraw/zinc/13/96/93/195139693.db2.gz UNTVBAGJLIASCS-SFHVURJKSA-N 0 0 456.568 3.060 50 0 JGAARN O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012802026 195139809 /nfs/dbraw/zinc/13/98/09/195139809.db2.gz XCFLTQGSWUCGTE-UHFFFAOYSA-N 0 0 476.357 3.227 50 0 JGAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 ZINC000012802264 195140014 /nfs/dbraw/zinc/14/00/14/195140014.db2.gz ZHVCNBMRYRRFQW-RTWAWAEBSA-N 0 0 452.020 3.370 50 0 JGAARN COc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000012803451 195140545 /nfs/dbraw/zinc/14/05/45/195140545.db2.gz 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Cc1ccc(-c2noc(CN3CCN(C(=O)CCc4nc(-c5cccs5)no4)CC3)n2)cc1 ZINC000012807672 195142467 /nfs/dbraw/zinc/14/24/67/195142467.db2.gz UVKPJGRRQJMENP-UHFFFAOYSA-N 0 0 464.551 3.434 50 0 JGAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N(C)CCc2ccc(OC)c(OC)c2)C1=O ZINC000012811748 195144480 /nfs/dbraw/zinc/14/44/80/195144480.db2.gz MTCAVRZPWQJWFB-XMMPIXPASA-N 0 0 473.957 3.215 50 0 JGAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012812028 195144768 /nfs/dbraw/zinc/14/47/68/195144768.db2.gz AHKCIDLQXMNHAD-QGZVFWFLSA-N 0 0 487.582 3.353 50 0 JGAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Br)cc1 ZINC000012812737 195145091 /nfs/dbraw/zinc/14/50/91/195145091.db2.gz HUINSQYPPRERRJ-RDTXWAMCSA-N 0 0 467.385 3.397 50 0 JGAARN Cc1cc(N2CCN(CC(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(C(C)C)n1 ZINC000012813499 195145507 /nfs/dbraw/zinc/14/55/07/195145507.db2.gz GPFGUJMFDRFASI-UHFFFAOYSA-N 0 0 451.493 3.245 50 0 JGAARN COc1ccc(OC)c2c1CN(c1nc(CN3CCOCC3)nc3sc(C)c(C)c31)C[C@H]2O ZINC000012815512 195146562 /nfs/dbraw/zinc/14/65/62/195146562.db2.gz QKOBHFCRUOECKQ-QGZVFWFLSA-N 0 0 470.595 3.211 50 0 JGAARN Cc1c(=O)c2cccc(C(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)c2oc1-c1ccccc1 ZINC000012815749 195146810 /nfs/dbraw/zinc/14/68/10/195146810.db2.gz QMWPMSJKVIWNNS-UHFFFAOYSA-N 0 0 461.562 3.441 50 0 JGAARN COCCCN(C(=O)c1cc(Cl)cc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012816344 195146988 /nfs/dbraw/zinc/14/69/88/195146988.db2.gz OYHVOXZJYCLDEW-UHFFFAOYSA-N 0 0 477.348 3.157 50 0 JGAARN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)NCc1ccccc1 ZINC000012816244 195147083 /nfs/dbraw/zinc/14/70/83/195147083.db2.gz HADVFSXIXHFCFR-KGLIPLIRSA-N 0 0 476.396 3.337 50 0 JGAARN COc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(C)C ZINC000012816722 195147275 /nfs/dbraw/zinc/14/72/75/195147275.db2.gz IANYHAMFNYQIFX-HXUWFJFHSA-N 0 0 464.488 3.212 50 0 JGAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)NC(=O)c3ccc[nH]3)[C@@H]2c2cccs2)cc1 ZINC000012817730 195147791 /nfs/dbraw/zinc/14/77/91/195147791.db2.gz FUMXITAEEGETMI-VGOFRKELSA-N 0 0 465.531 3.369 50 0 JGAARN CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cc(F)ccc2Br)c(=O)[nH]c1=O ZINC000012817551 195147797 /nfs/dbraw/zinc/14/77/97/195147797.db2.gz MAISLZNDCOXCNT-UHFFFAOYSA-N 0 0 479.306 3.261 50 0 JGAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000012817890 195147980 /nfs/dbraw/zinc/14/79/80/195147980.db2.gz BIPNUZMFBDIWGC-UHFFFAOYSA-N 0 0 457.493 3.004 50 0 JGAARN COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012818654 195148129 /nfs/dbraw/zinc/14/81/29/195148129.db2.gz GEQMUPMXBLZMQK-UHFFFAOYSA-N 0 0 487.965 3.447 50 0 JGAARN O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012821194 195149399 /nfs/dbraw/zinc/14/93/99/195149399.db2.gz RYZLXKMABYKYTN-FQEVSTJZSA-N 0 0 467.513 3.032 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N(C)Cc2ccc(F)cc2F)C(C)C)c1 ZINC000012821350 195149591 /nfs/dbraw/zinc/14/95/91/195149591.db2.gz VNOSQSRRDBUGME-QFIPXVFZSA-N 0 0 495.592 3.408 50 0 JGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012822341 195150092 /nfs/dbraw/zinc/15/00/92/195150092.db2.gz HELVQRAAEPBMDX-KRWDZBQOSA-N 0 0 461.609 3.414 50 0 JGAARN O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccccc1OC(F)F ZINC000012827297 195151005 /nfs/dbraw/zinc/15/10/05/195151005.db2.gz SOQIVQPPLYIIGT-UHFFFAOYSA-N 0 0 468.400 3.171 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 ZINC000012848394 195153475 /nfs/dbraw/zinc/15/34/75/195153475.db2.gz VGHNCINBTLPDNW-OAQYLSRUSA-N 0 0 460.552 3.225 50 0 JGAARN Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)s1 ZINC000012852654 195155480 /nfs/dbraw/zinc/15/54/80/195155480.db2.gz ALICETMGIHMDLD-UHFFFAOYSA-N 0 0 477.530 3.209 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)CC2)cc1 ZINC000012852591 195155520 /nfs/dbraw/zinc/15/55/20/195155520.db2.gz KLNCINPSXAVWOF-UHFFFAOYSA-N 0 0 478.496 3.346 50 0 JGAARN CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000012852663 195155590 /nfs/dbraw/zinc/15/55/90/195155590.db2.gz CZXFXFKKPTZYNC-UHFFFAOYSA-N 0 0 492.425 3.131 50 0 JGAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3cccs3)n2)cc1 ZINC000012854725 195156773 /nfs/dbraw/zinc/15/67/73/195156773.db2.gz UCNHEFHCWMXJPS-LBPRGKRZSA-N 0 0 451.599 3.339 50 0 JGAARN Cc1ccc(N(CCC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012854653 195156824 /nfs/dbraw/zinc/15/68/24/195156824.db2.gz LHBRNEZCRJSTOZ-UHFFFAOYSA-N 0 0 497.539 3.323 50 0 JGAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012857664 195158396 /nfs/dbraw/zinc/15/83/96/195158396.db2.gz KPAKNNGAQGSONR-HUUCEWRRSA-N 0 0 490.626 3.316 50 0 JGAARN COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012866016 195161535 /nfs/dbraw/zinc/16/15/35/195161535.db2.gz VCEKSUPRPVJXEC-SFHVURJKSA-N 0 0 466.600 3.064 50 0 JGAARN COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCCO4)c2)cc1 ZINC000012866724 195161691 /nfs/dbraw/zinc/16/16/91/195161691.db2.gz JGSDALLKISMGMA-UHFFFAOYSA-N 0 0 468.531 3.222 50 0 JGAARN NC(=O)c1ccc(NC(=O)CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012871240 195163631 /nfs/dbraw/zinc/16/36/31/195163631.db2.gz VGVBMOXSAZXYPH-UHFFFAOYSA-N 0 0 455.868 3.004 50 0 JGAARN CCOc1c(Cl)cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1OC ZINC000012873966 195164944 /nfs/dbraw/zinc/16/49/44/195164944.db2.gz VOTZLBZBUUOMNI-MRXNPFEDSA-N 0 0 469.991 3.192 50 0 JGAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCOC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012874545 195165218 /nfs/dbraw/zinc/16/52/18/195165218.db2.gz HYYYVYGPHMSIBG-WINIVTDRSA-N 0 0 477.561 3.253 50 0 biogenic JGAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCOC)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012874537 195165230 /nfs/dbraw/zinc/16/52/30/195165230.db2.gz HYYYVYGPHMSIBG-PPHZAIPVSA-N 0 0 477.561 3.253 50 0 biogenic JGAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc(N2CCOCC2)nc1 ZINC000012878193 195167328 /nfs/dbraw/zinc/16/73/28/195167328.db2.gz ZVMKJKMLUWRWEM-UHFFFAOYSA-N 0 0 465.510 3.134 50 0 JGAARN CC(C)c1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 ZINC000012879905 195167682 /nfs/dbraw/zinc/16/76/82/195167682.db2.gz VQUMVJMGFJDHAE-UHFFFAOYSA-N 0 0 474.627 3.410 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)CC2)cc1 ZINC000012900498 195177030 /nfs/dbraw/zinc/17/70/30/195177030.db2.gz AHKOITIZRPAKNU-UHFFFAOYSA-N 0 0 475.517 3.394 50 0 JGAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC(C)C ZINC000012888609 195171661 /nfs/dbraw/zinc/17/16/61/195171661.db2.gz UNOKGHFJIOYDTD-MKSPYTNGSA-N 0 0 475.655 3.497 50 0 biogenic JGAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000012891030 195173029 /nfs/dbraw/zinc/17/30/29/195173029.db2.gz NYSPVZUQZDZDFZ-JOCHJYFZSA-N 0 0 464.609 3.442 50 0 JGAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000012891947 195173270 /nfs/dbraw/zinc/17/32/70/195173270.db2.gz FOWFEORLBQRRTE-UHFFFAOYSA-N 0 0 453.564 3.120 50 0 JGAARN COc1cccc(NC(=O)[C@@H](NCc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc2)c1 ZINC000012894185 195174569 /nfs/dbraw/zinc/17/45/69/195174569.db2.gz KOADTXAFRIZXKM-VWLOTQADSA-N 0 0 495.601 3.186 50 0 JGAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000012895163 195174838 /nfs/dbraw/zinc/17/48/38/195174838.db2.gz YFFQOQCHISJFSY-VWLOTQADSA-N 0 0 467.566 3.382 50 0 biogenic JGAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c13)CCC(C)(C)O2 ZINC000012895373 195175151 /nfs/dbraw/zinc/17/51/51/195175151.db2.gz DFLFOBXZNLHYMS-UHFFFAOYSA-N 0 0 470.566 3.275 50 0 biogenic JGAARN Cc1cc(NC(=O)[C@@H](OC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc2)no1 ZINC000012895379 195175175 /nfs/dbraw/zinc/17/51/75/195175175.db2.gz KACZBBVCFOCSIL-FQEVSTJZSA-N 0 0 455.492 3.060 50 0 JGAARN O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000012896600 195175648 /nfs/dbraw/zinc/17/56/48/195175648.db2.gz MVHVGMDYQLEIIP-YJBOKZPZSA-N 0 0 450.944 3.051 50 0 JGAARN CCOc1ccc(OCCC(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012897390 195175776 /nfs/dbraw/zinc/17/57/76/195175776.db2.gz SIMNBBXSNQKXDK-UHFFFAOYSA-N 0 0 494.592 3.414 50 0 JGAARN O=C(NCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012900946 195177317 /nfs/dbraw/zinc/17/73/17/195177317.db2.gz MORGEBCCOQEMBA-UHFFFAOYSA-N 0 0 485.389 3.482 50 0 JGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC[C@@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012862293 195159873 /nfs/dbraw/zinc/15/98/73/195159873.db2.gz RTOHRQQLUXHVCB-PXNSSMCTSA-N 0 0 468.550 3.454 50 0 biogenic JGAARN Cc1ccc(N2C[C@H](c3nnc(NC(=O)CCCN4C(=O)c5ccccc5C4=O)s3)CC2=O)cc1 ZINC000012862936 195160045 /nfs/dbraw/zinc/16/00/45/195160045.db2.gz GIAKHZAFZYSZOT-MRXNPFEDSA-N 0 0 489.557 3.382 50 0 JGAARN COCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000012864230 195160802 /nfs/dbraw/zinc/16/08/02/195160802.db2.gz XDZXPZIASBYJFE-SANMLTNESA-N 0 0 476.533 3.183 50 0 biogenic JGAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC3CCCCC3)N2C1=O ZINC000020643088 195194110 /nfs/dbraw/zinc/19/41/10/195194110.db2.gz RDRMPNMRTXRVRJ-IBGZPJMESA-N 0 0 469.611 3.134 50 0 JGAARN O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000020644164 195194386 /nfs/dbraw/zinc/19/43/86/195194386.db2.gz UNXDAPGZPFBNLV-UHFFFAOYSA-N 0 0 487.423 3.322 50 0 JGAARN COc1cc2c(c3oc(=O)c(CC(=O)NC[C@H](O)COCc4ccco4)c(C)c13)CCC(C)(C)O2 ZINC000012901403 195177598 /nfs/dbraw/zinc/17/75/98/195177598.db2.gz PEJJRZOPOVQDMN-INIZCTEOSA-N 0 0 485.533 3.043 50 0 biogenic JGAARN Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cnn1-c1ccccc1 ZINC000012903038 195178298 /nfs/dbraw/zinc/17/82/98/195178298.db2.gz FIVZEHNWZJBDAT-UHFFFAOYSA-N 0 0 452.580 3.451 50 0 JGAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 ZINC000012903153 195178315 /nfs/dbraw/zinc/17/83/15/195178315.db2.gz NHGYBEKRCZKISH-QGZVFWFLSA-N 0 0 464.518 3.439 50 0 JGAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012905580 195179569 /nfs/dbraw/zinc/17/95/69/195179569.db2.gz NVZSXORQJNSDOZ-UHFFFAOYSA-N 0 0 459.955 3.461 50 0 JGAARN COc1ccc(N(CC(=O)N[C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012906499 195180138 /nfs/dbraw/zinc/18/01/38/195180138.db2.gz VABLTZJLHSTVEK-UWJYYQICSA-N 0 0 474.579 3.357 50 0 JGAARN O=C(CSc1nnc(NCCc2cccs2)s1)NCc1ccccc1CN1CCOCC1 ZINC000012907243 195180365 /nfs/dbraw/zinc/18/03/65/195180365.db2.gz WXCVEJRVFRJHGF-UHFFFAOYSA-N 0 0 489.692 3.495 50 0 JGAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000020604463 195180527 /nfs/dbraw/zinc/18/05/27/195180527.db2.gz MUJRXGGWWGSZGE-UHFFFAOYSA-N 0 0 476.042 3.420 50 0 JGAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Cl)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O ZINC000020611390 195185265 /nfs/dbraw/zinc/18/52/65/195185265.db2.gz LXOAZBFYBWVYIT-ZBLYBZFDSA-N 0 0 493.007 3.185 50 0 biogenic JGAARN Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000020614470 195186540 /nfs/dbraw/zinc/18/65/40/195186540.db2.gz BULRBPXTCNMRFZ-XMMPIXPASA-N 0 0 486.572 3.342 50 0 JGAARN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)c1 ZINC000020614383 195186676 /nfs/dbraw/zinc/18/66/76/195186676.db2.gz FYDONALRCBYOID-DEOSSOPVSA-N 0 0 486.572 3.342 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)Cc2ccc(F)cc2)CC3)c(C)c1 ZINC000020614768 195186989 /nfs/dbraw/zinc/18/69/89/195186989.db2.gz YGSSYCHQURJCLZ-UHFFFAOYSA-N 0 0 460.571 3.333 50 0 JGAARN CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NCCN3CCOCC3)cc1O2 ZINC000020650874 195195915 /nfs/dbraw/zinc/19/59/15/195195915.db2.gz PQKYTARNSJEFRH-UHFFFAOYSA-N 0 0 458.599 3.454 50 0 JGAARN COc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1C ZINC000020614872 195187325 /nfs/dbraw/zinc/18/73/25/195187325.db2.gz MPVKSQFDLGLOHE-JOCHJYFZSA-N 0 0 455.580 3.438 50 0 JGAARN CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cn(C(F)F)nc1C ZINC000020615387 195187364 /nfs/dbraw/zinc/18/73/64/195187364.db2.gz MYZIBFJNQFHSFK-UHFFFAOYSA-N 0 0 483.541 3.254 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)cc1 ZINC000020616056 195187775 /nfs/dbraw/zinc/18/77/75/195187775.db2.gz PWAZEYXCFWIMLW-UHFFFAOYSA-N 0 0 485.562 3.026 50 0 JGAARN COc1cc2oc(=O)c(CC(=O)N3CCN(CCc4ccncc4)CC3)c(C)c2cc1Cl ZINC000020624058 195190741 /nfs/dbraw/zinc/19/07/41/195190741.db2.gz BEKNBKWUEXDTLE-UHFFFAOYSA-N 0 0 455.942 3.088 50 0 JGAARN COc1ccc(CNC(=S)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000020623520 195190854 /nfs/dbraw/zinc/19/08/54/195190854.db2.gz HYDMLPCONVGECD-UHFFFAOYSA-N 0 0 482.528 3.225 50 0 JGAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)N1CCN(Cc2ccccc2)CC1 ZINC000020676269 195200805 /nfs/dbraw/zinc/20/08/05/195200805.db2.gz LDZKSXZQROQMNN-UHFFFAOYSA-N 0 0 465.985 3.233 50 0 JGAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C(=O)c4ccco4)CC2)n3C)cc1 ZINC000020677471 195202609 /nfs/dbraw/zinc/20/26/09/195202609.db2.gz GANJFSZCVVHXCN-UHFFFAOYSA-N 0 0 487.560 3.450 50 0 JGAARN C[C@@H](NC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)c1ccccc1 ZINC000020679035 195203308 /nfs/dbraw/zinc/20/33/08/195203308.db2.gz NZRAHDSMVNESSM-LJQANCHMSA-N 0 0 460.669 3.024 50 0 JGAARN COc1ccc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c(OC)c1OC ZINC000020720419 195206307 /nfs/dbraw/zinc/20/63/07/195206307.db2.gz IBITTZIUFYKTIV-NRFANRHFSA-N 0 0 457.502 3.276 50 0 JGAARN COc1cccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000020727469 195208155 /nfs/dbraw/zinc/20/81/55/195208155.db2.gz PCPHJYKBBIZZAW-IBGZPJMESA-N 0 0 459.589 3.343 50 0 JGAARN COC(CNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1)OC ZINC000020730781 195210074 /nfs/dbraw/zinc/21/00/74/195210074.db2.gz JADMPHUEDRVRER-UHFFFAOYSA-N 0 0 461.584 3.135 50 0 JGAARN COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c1 ZINC000020833796 195229699 /nfs/dbraw/zinc/22/96/99/195229699.db2.gz GGKKUSWSPIXTKB-UHFFFAOYSA-N 0 0 470.547 3.388 50 0 JGAARN COc1ccc(NC(=O)CN2CCN(Cc3ccc(F)cc3Cl)S2(=O)=O)cc1Cl ZINC000020848412 195230316 /nfs/dbraw/zinc/23/03/16/195230316.db2.gz VFSGOLQDCWQGSV-UHFFFAOYSA-N 0 0 462.330 3.142 50 0 JGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1ccccc1Cl)C2 ZINC000020737225 195213671 /nfs/dbraw/zinc/21/36/71/195213671.db2.gz PRUYRDQSZRZHGD-UHFFFAOYSA-N 0 0 482.968 3.176 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1=O ZINC000020758004 195216903 /nfs/dbraw/zinc/21/69/03/195216903.db2.gz GTPZVCBYYMPSOY-NPMXOYFQSA-N 0 0 460.534 3.161 50 0 biogenic JGAARN COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000020767394 195222799 /nfs/dbraw/zinc/22/27/99/195222799.db2.gz OTCZHYJBQMJYJT-UHFFFAOYSA-N 0 0 472.394 3.337 50 0 JGAARN O=C(c1ccccc1)[C@H](CC[C@H](CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1 ZINC000020791131 195225381 /nfs/dbraw/zinc/22/53/81/195225381.db2.gz CVOBZFLICCGWKJ-CLJLJLNGSA-N 0 0 464.606 3.429 50 0 JGAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000020893884 195238646 /nfs/dbraw/zinc/23/86/46/195238646.db2.gz SHIOOUCXKPWQQA-UHFFFAOYSA-N 0 0 452.536 3.383 50 0 JGAARN COc1cc(NS(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc(OC)c1 ZINC000020893811 195238653 /nfs/dbraw/zinc/23/86/53/195238653.db2.gz RCAXAJBWLXGPDG-UHFFFAOYSA-N 0 0 455.536 3.442 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3nc4ccc(C)cc4s3)cc2C[C@@H]1C ZINC000020922451 195248282 /nfs/dbraw/zinc/24/82/82/195248282.db2.gz OSRMGMHYRNWSCO-AWEZNQCLSA-N 0 0 472.592 3.161 50 0 JGAARN COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(Cc1ccc(OC)c(OC)c1)CC2 ZINC000020916636 195246762 /nfs/dbraw/zinc/24/67/62/195246762.db2.gz BLOIGODWFGQSFB-UHFFFAOYSA-N 0 0 496.535 3.429 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000020920745 195247649 /nfs/dbraw/zinc/24/76/49/195247649.db2.gz YEUKZIQKJWSUFH-FQEVSTJZSA-N 0 0 463.552 3.344 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000020920712 195247664 /nfs/dbraw/zinc/24/76/64/195247664.db2.gz ZXADBAFLEPLJIV-GOSISDBHSA-N 0 0 451.516 3.474 50 0 JGAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020858142 195232235 /nfs/dbraw/zinc/23/22/35/195232235.db2.gz RYFUEXMQRBVJDR-MRXNPFEDSA-N 0 0 485.381 3.074 50 0 JGAARN CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3c(C)cc(C)cc3C)=C2C(=O)OC)cc1 ZINC000020858189 195232360 /nfs/dbraw/zinc/23/23/60/195232360.db2.gz LCCABODIGNETJN-OAQYLSRUSA-N 0 0 472.563 3.265 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000020860485 195233304 /nfs/dbraw/zinc/23/33/04/195233304.db2.gz KHWDISZCGMIDFL-KOSHJBKYSA-N 0 0 469.607 3.406 50 0 JGAARN 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ZINC000020927555 195249567 /nfs/dbraw/zinc/24/95/67/195249567.db2.gz KGDJKAGVJPDUIV-RUZDIDTESA-N 0 0 476.621 3.365 50 0 JGAARN CCCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000020928482 195249861 /nfs/dbraw/zinc/24/98/61/195249861.db2.gz MEGMPIJUDNDRQX-JOCHJYFZSA-N 0 0 470.035 3.244 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929073 195250415 /nfs/dbraw/zinc/25/04/15/195250415.db2.gz CBCZNJVVVYYNGY-AREMUKBSSA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(F)c3)[C@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000020929634 195250928 /nfs/dbraw/zinc/25/09/28/195250928.db2.gz SIAJBSBWSDVAHE-SANMLTNESA-N 0 0 495.576 3.247 50 0 JGAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020984863 195260203 /nfs/dbraw/zinc/26/02/03/195260203.db2.gz PYIUWFHLBFRNNT-LJQANCHMSA-N 0 0 490.585 3.498 50 0 JGAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCOc4ccc(C)cc43)c2)on1 ZINC000020985141 195260428 /nfs/dbraw/zinc/26/04/28/195260428.db2.gz QPDCBGBJRIWFDR-UHFFFAOYSA-N 0 0 458.492 3.423 50 0 JGAARN C=C1C(NCC(=O)NCc2ccc(OC)c(OCC)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020992599 195262502 /nfs/dbraw/zinc/26/25/02/195262502.db2.gz JTERLSCIWQEJLL-UHFFFAOYSA-N 0 0 471.579 3.090 50 0 JGAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000020994330 195263139 /nfs/dbraw/zinc/26/31/39/195263139.db2.gz MALLXJISUUNMQU-LBPRGKRZSA-N 0 0 485.440 3.059 50 0 JGAARN CCOc1nn(CC)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1 ZINC000021011453 195266592 /nfs/dbraw/zinc/26/65/92/195266592.db2.gz NLFLPRZSCAHEPG-UHFFFAOYSA-N 0 0 450.521 3.275 50 0 JGAARN Cc1ccsc1CCNC(=O)CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21 ZINC000021024151 195268775 /nfs/dbraw/zinc/26/87/75/195268775.db2.gz GRTNRRNVBVXYAV-UHFFFAOYSA-N 0 0 464.551 3.127 50 0 JGAARN CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)c(Cl)c4)ncn3n2)cc1 ZINC000021027753 195269119 /nfs/dbraw/zinc/26/91/19/195269119.db2.gz BFNLLESTVNBFLN-UHFFFAOYSA-N 0 0 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CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000028968421 523561904 /nfs/dbraw/zinc/56/19/04/523561904.db2.gz NXGJXGVFNIWWAQ-INIZCTEOSA-N 0 0 462.453 3.403 50 0 JGAARN COc1ccc(C(=O)CSc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)cc1OC ZINC000046047203 523592578 /nfs/dbraw/zinc/59/25/78/523592578.db2.gz WNAYOKUOZCPRMK-UHFFFAOYSA-N 0 0 450.520 3.489 50 0 JGAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4C)C3)c(C)cc2NC1=O ZINC000035396692 523605480 /nfs/dbraw/zinc/60/54/80/523605480.db2.gz IGUABUIRJOLNJV-FPOVZHCZSA-N 0 0 485.606 3.130 50 0 JGAARN COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008612565 523615879 /nfs/dbraw/zinc/61/58/79/523615879.db2.gz YNXOEQFZVNUPPB-MRXNPFEDSA-N 0 0 483.970 3.204 50 0 JGAARN COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000008612566 523616361 /nfs/dbraw/zinc/61/63/61/523616361.db2.gz YNXOEQFZVNUPPB-INIZCTEOSA-N 0 0 483.970 3.204 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)N3CCCCC3)CC2)cc1 ZINC000036212367 523623907 /nfs/dbraw/zinc/62/39/07/523623907.db2.gz WBUBINITXTXIFK-XMMPIXPASA-N 0 0 463.578 3.359 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3cccc(OC)c3)C(=O)NCC(C)C)CC2)cc1 ZINC000036210963 523626290 /nfs/dbraw/zinc/62/62/90/523626290.db2.gz HFRILFKHFKUQQR-DEOSSOPVSA-N 0 0 481.593 3.127 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(C)cc3)C(=O)N3CCCC3)CC2)cc1 ZINC000036213454 523626478 /nfs/dbraw/zinc/62/64/78/523626478.db2.gz HGHFTCIJXLPCAD-DEOSSOPVSA-N 0 0 463.578 3.277 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3ccc(C)cc3)C(=O)NCC(C)C)CC2)cc1 ZINC000036212862 523627520 /nfs/dbraw/zinc/62/75/20/523627520.db2.gz LSGGTBAALLBHPW-DEOSSOPVSA-N 0 0 465.594 3.427 50 0 JGAARN CC[C@]1(c2ccc(C)cc2)NC(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O ZINC000023847154 523628709 /nfs/dbraw/zinc/62/87/09/523628709.db2.gz FMBKWAGYGMFTJI-AREMUKBSSA-N 0 0 478.549 3.189 50 0 JGAARN CN(c1ccc(OCC(=O)NCC(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000024842383 523641824 /nfs/dbraw/zinc/64/18/24/523641824.db2.gz JJRYUEUYLHCQSO-UHFFFAOYSA-N 0 0 481.290 3.332 50 0 JGAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C(=O)NC(C)C ZINC000036123081 523649786 /nfs/dbraw/zinc/64/97/86/523649786.db2.gz LEHNQWRHZVPISJ-HXUWFJFHSA-N 0 0 463.575 3.458 50 0 JGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NCC(=O)NC(=O)NCCc2cccs2)c1 ZINC000022811095 523651030 /nfs/dbraw/zinc/65/10/30/523651030.db2.gz XXKHLHRSMUXWTP-UHFFFAOYSA-N 0 0 472.592 3.054 50 0 JGAARN COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4c(C)noc4C)ccc3C[C@@H]2C)cc1 ZINC000065003442 523677324 /nfs/dbraw/zinc/67/73/24/523677324.db2.gz FYSZENWCQUCPBR-AWEZNQCLSA-N 0 0 455.536 3.370 50 0 JGAARN CCn1nccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C)o1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000022745555 523706751 /nfs/dbraw/zinc/70/67/51/523706751.db2.gz CLKBNDBBSLEEPU-YJADQXIJSA-N 0 0 487.585 3.300 50 0 JGAARN CCn1nccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(C)o1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000022745551 523706853 /nfs/dbraw/zinc/70/68/53/523706853.db2.gz CLKBNDBBSLEEPU-XOYGFPHKSA-N 0 0 487.585 3.300 50 0 JGAARN CN1C(=O)N(C)[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013805403 523715132 /nfs/dbraw/zinc/71/51/32/523715132.db2.gz GFQQGQJHXRXVBO-XFSJFZDDSA-N 0 0 498.672 3.172 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000036210603 523717670 /nfs/dbraw/zinc/71/76/70/523717670.db2.gz JPYGZPHFDGXTSC-HSZRJFAPSA-N 0 0 467.541 3.108 50 0 JGAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c3ccccc23)cc1 ZINC000027519767 523723496 /nfs/dbraw/zinc/72/34/96/523723496.db2.gz JWEQSXYWLZEJJF-UHFFFAOYSA-N 0 0 472.563 3.384 50 0 JGAARN CN1C(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875267 523729314 /nfs/dbraw/zinc/72/93/14/523729314.db2.gz KBMGFISANPNBAC-RUZDIDTESA-N 0 0 486.016 3.192 50 0 JGAARN CN1C(=O)c2cc(C(=O)Nc3ccccc3Br)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874618 523731042 /nfs/dbraw/zinc/73/10/42/523731042.db2.gz GTELVIMOJJPLAB-QFIPXVFZSA-N 0 0 488.386 3.191 50 0 JGAARN COc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)n3C)cc1OC ZINC000046145726 523744416 /nfs/dbraw/zinc/74/44/16/523744416.db2.gz GENJBAZBKJTPGE-UHFFFAOYSA-N 0 0 487.578 3.253 50 0 JGAARN COc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1 ZINC000046145987 523745653 /nfs/dbraw/zinc/74/56/53/523745653.db2.gz ZRJKQPDYUAFZGK-UHFFFAOYSA-N 0 0 465.531 3.279 50 0 JGAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCC1 ZINC000034848432 523749804 /nfs/dbraw/zinc/74/98/04/523749804.db2.gz OAMOGSUMSGGJIT-UHFFFAOYSA-N 0 0 451.516 3.377 50 0 JGAARN COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000036489987 523772866 /nfs/dbraw/zinc/77/28/66/523772866.db2.gz GIWUJNGUYRIYLZ-MSOLQXFVSA-N 0 0 466.600 3.062 50 0 JGAARN COc1ccc(C)c2sc(N3CCN(C(=O)CS(=O)(=O)c4ccc(Cl)cc4)CC3)nc21 ZINC000016838880 523798123 /nfs/dbraw/zinc/79/81/23/523798123.db2.gz 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/nfs/dbraw/zinc/90/68/41/523906841.db2.gz QTBLOYPFBLKMAC-QWHCGFSZSA-N 0 0 468.670 3.059 50 0 JGAARN COCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)C(C)C)cc2)OC(=O)N1Cc1ccc(F)cc1 ZINC000036215299 523915068 /nfs/dbraw/zinc/91/50/68/523915068.db2.gz KQFLSCGHAXDHEP-LEWJYISDSA-N 0 0 457.502 3.245 50 0 JGAARN CCc1ccc(CN2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021870267 523924321 /nfs/dbraw/zinc/92/43/21/523924321.db2.gz BJQKATUJSVBWLL-MHZLTWQESA-N 0 0 497.661 3.490 50 0 JGAARN CC[C@H](C)N(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)NC(C)C ZINC000036071633 523925662 /nfs/dbraw/zinc/92/56/62/523925662.db2.gz LROPDJUHBHLAQO-FQEVSTJZSA-N 0 0 482.629 3.409 50 0 JGAARN COCCNC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(C[C@H]1CCCO1)c2=O ZINC000033269188 523927548 /nfs/dbraw/zinc/92/75/48/523927548.db2.gz VQWBDPIDJXBIBO-LJQANCHMSA-N 0 0 453.564 3.244 50 0 JGAARN COCCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1=O ZINC000065062747 523928702 /nfs/dbraw/zinc/92/87/02/523928702.db2.gz 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COc1ccc(CCNC(=O)COc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc1OC ZINC000045991408 523958800 /nfs/dbraw/zinc/95/88/00/523958800.db2.gz AOJSVKUFZFCONF-UHFFFAOYSA-N 0 0 452.433 3.050 50 0 JGAARN COc1ccc(CCNC(=O)Cn2c3sc(C)c(C)c3c(=O)n(-c3ccccc3)c2=O)cc1OC ZINC000008593147 523961065 /nfs/dbraw/zinc/96/10/65/523961065.db2.gz YCHAWQOCXUYRHP-UHFFFAOYSA-N 0 0 493.585 3.207 50 0 JGAARN COc1ccc(CCNC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)cc1OC ZINC000067235684 523962215 /nfs/dbraw/zinc/96/22/15/523962215.db2.gz UKHFJRWKUWCQSY-UHFFFAOYSA-N 0 0 480.952 3.432 50 0 JGAARN CCc1ccc(N2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000033266044 523964042 /nfs/dbraw/zinc/96/40/42/523964042.db2.gz DYLBTZQATAXOQA-SANMLTNESA-N 0 0 460.534 3.276 50 0 JGAARN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 ZINC000016424880 523967386 /nfs/dbraw/zinc/96/73/86/523967386.db2.gz GHINNOUWHRTZPC-KRWDZBQOSA-N 0 0 466.987 3.117 50 0 JGAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccccc3OC)CC2)cc1 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001784498 553988666 /nfs/dbraw/zinc/98/86/66/553988666.db2.gz HNVQKAKUFKBPFP-VLOXRPPESA-N 0 0 496.972 3.377 50 0 JGAARN Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C ZINC000001851011 553996039 /nfs/dbraw/zinc/99/60/39/553996039.db2.gz XRBIWRGNEZTLOS-UHFFFAOYSA-N 0 0 470.481 3.260 50 0 JGAARN O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc(Br)o1 ZINC000002069119 554021444 /nfs/dbraw/zinc/02/14/44/554021444.db2.gz MZARWLBWIHIURI-KAMYIIQDSA-N 0 0 484.144 3.434 50 0 JGAARN CC(C)CNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000002093441 554037001 /nfs/dbraw/zinc/03/70/01/554037001.db2.gz XKYDYDSTPMHYDD-UHFFFAOYSA-N 0 0 472.348 3.259 50 0 JGAARN CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002095706 554040307 /nfs/dbraw/zinc/04/03/07/554040307.db2.gz YDHPMDZMIZVLMH-DYXWJJEUSA-N 0 0 468.623 3.300 50 0 biogenic JGAARN CC(=O)c1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1 ZINC000002096828 554040812 /nfs/dbraw/zinc/04/08/12/554040812.db2.gz KSGJBVQUBIUZTG-LIYPEUHCSA-N 0 0 452.595 3.296 50 0 biogenic JGAARN COc1ccc(CCNC(=O)[C@@H]2N3C(=O)c4c(ccc(OC)c4OC)[C@H]3SC2(C)C)cc1 ZINC000002112910 554051251 /nfs/dbraw/zinc/05/12/51/554051251.db2.gz QMTJKXRSGBLKIR-NZQKXSOJSA-N 0 0 456.564 3.420 50 0 JGAARN CCCCCn1c(CNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)nc2ccccc21 ZINC000002140560 554063792 /nfs/dbraw/zinc/06/37/92/554063792.db2.gz XPBUROMIJTVLJO-AIDNLNPPSA-N 0 0 473.570 3.239 50 0 JGAARN O=C(N[C@H](Cc1ccccc1)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)OCc1ccccc1 ZINC000002139898 554063798 /nfs/dbraw/zinc/06/37/98/554063798.db2.gz IVQRYWBHHHEZBK-RBZQAINGSA-N 0 0 471.557 3.332 50 0 biogenic JGAARN CCCOc1c(I)cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1OC ZINC000002184090 554081592 /nfs/dbraw/zinc/08/15/92/554081592.db2.gz MDVJGNZZYHVQRW-AWEZNQCLSA-N 0 0 476.336 3.054 50 0 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CC(=O)c1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3C)CCCC4)cc1 ZINC000002335272 554153395 /nfs/dbraw/zinc/15/33/95/554153395.db2.gz OYRFNWNWNAGTLC-UHFFFAOYSA-N 0 0 467.576 3.455 50 0 JGAARN C[C@@H]1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)C1 ZINC000002341661 554156262 /nfs/dbraw/zinc/15/62/62/554156262.db2.gz MFEWOASOCGWVJY-CQSZACIVSA-N 0 0 470.624 3.072 50 0 JGAARN CCOCCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc21 ZINC000002370920 554170355 /nfs/dbraw/zinc/17/03/55/554170355.db2.gz GETHRBHXGVACAJ-UHFFFAOYSA-N 0 0 461.522 3.489 50 0 JGAARN CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002393424 554180361 /nfs/dbraw/zinc/18/03/61/554180361.db2.gz JTYBDVRGLGSYNO-UHFFFAOYSA-N 0 0 487.603 3.106 50 0 JGAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000002395142 554182014 /nfs/dbraw/zinc/18/20/14/554182014.db2.gz YKTWLOOSEGEZIL-UHFFFAOYSA-N 0 0 459.376 3.188 50 0 JGAARN COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N ZINC000002397347 554183707 /nfs/dbraw/zinc/18/37/07/554183707.db2.gz DSCPFBQWFGWIPL-UHFFFAOYSA-N 0 0 470.555 3.144 50 0 JGAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(CCCOC(C)C)C3=O ZINC000002401564 554186078 /nfs/dbraw/zinc/18/60/78/554186078.db2.gz OAAZOHWEVAUQST-QHCPKHFHSA-N 0 0 464.518 3.326 50 0 JGAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1 ZINC000002407021 554189072 /nfs/dbraw/zinc/18/90/72/554189072.db2.gz CQIWASINIGOKLO-RUZDIDTESA-N 0 0 484.508 3.454 50 0 JGAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@H]1c1ccccc1Cl ZINC000002440748 554209622 /nfs/dbraw/zinc/20/96/22/554209622.db2.gz XRKJYBFPABDBJP-HXUWFJFHSA-N 0 0 480.904 3.455 50 0 JGAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc2c(c1)OCCO2 ZINC000002459453 554223022 /nfs/dbraw/zinc/22/30/22/554223022.db2.gz RVFCMNFARTZCMY-UHFFFAOYSA-N 0 0 453.545 3.383 50 0 JGAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000002497553 554228653 /nfs/dbraw/zinc/22/86/53/554228653.db2.gz 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COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002619377 554243875 /nfs/dbraw/zinc/24/38/75/554243875.db2.gz KBLOTDDZAZRVAC-UHFFFAOYSA-N 0 0 454.504 3.497 50 0 JGAARN Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1C ZINC000002620093 554244883 /nfs/dbraw/zinc/24/48/83/554244883.db2.gz UITZPRFIEQNYCF-UHFFFAOYSA-N 0 0 474.000 3.362 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCc3ccccc32)C(C)C)c1 ZINC000002620843 554245707 /nfs/dbraw/zinc/24/57/07/554245707.db2.gz NQKWJMYMGPFUSN-QFIPXVFZSA-N 0 0 457.596 3.061 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 ZINC000002625152 554249062 /nfs/dbraw/zinc/24/90/62/554249062.db2.gz QZWNEOCXPAQDMJ-QGZVFWFLSA-N 0 0 487.651 3.482 50 0 JGAARN CCCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc2c1=O ZINC000002627352 554250745 /nfs/dbraw/zinc/25/07/45/554250745.db2.gz GDHMFOBQEZFVDL-UHFFFAOYSA-N 0 0 474.608 3.178 50 0 JGAARN O=S(=O)(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1c(Cl)cccc1Cl ZINC000002628063 554250913 /nfs/dbraw/zinc/25/09/13/554250913.db2.gz CPQRVDRCDMYRHI-UHFFFAOYSA-N 0 0 486.782 3.435 50 0 JGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1 ZINC000002630738 554252910 /nfs/dbraw/zinc/25/29/10/554252910.db2.gz XZSSEYZXLKFYHX-UHFFFAOYSA-N 0 0 451.870 3.413 50 0 JGAARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000002631859 554253456 /nfs/dbraw/zinc/25/34/56/554253456.db2.gz LHPJDKCZLMZBJX-UHFFFAOYSA-N 0 0 473.485 3.422 50 0 JGAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3Br)C2=O)cc1OC ZINC000002633505 554254597 /nfs/dbraw/zinc/25/45/97/554254597.db2.gz CYMTZFLJKHDBAI-NRFANRHFSA-N 0 0 476.327 3.180 50 0 JGAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3c2C(=O)NC3=O)c1 ZINC000002641482 554260668 /nfs/dbraw/zinc/26/06/68/554260668.db2.gz YRIYLPGSJZECJS-UHFFFAOYSA-N 0 0 483.933 3.297 50 0 JGAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O ZINC000002646576 554263866 /nfs/dbraw/zinc/26/38/66/554263866.db2.gz 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CC(C)[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 ZINC000008750807 554653047 /nfs/dbraw/zinc/65/30/47/554653047.db2.gz GQIWXAHACGEFGR-OZXSUGGESA-N 0 0 463.534 3.055 50 0 JGAARN CCOC(=O)Cc1nnc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1Cc1ccco1 ZINC000008751222 554653154 /nfs/dbraw/zinc/65/31/54/554653154.db2.gz JQQMKIYVRQUBAB-UHFFFAOYSA-N 0 0 459.553 3.232 50 0 JGAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CC(=O)NC(=O)C12CCCCC2 ZINC000008751617 554653674 /nfs/dbraw/zinc/65/36/74/554653674.db2.gz ZNAPXZLCPQSHJW-UHFFFAOYSA-N 0 0 487.585 3.486 50 0 JGAARN O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000008752607 554654134 /nfs/dbraw/zinc/65/41/34/554654134.db2.gz ATOJJTKAJGCIJA-UHFFFAOYSA-N 0 0 499.902 3.086 50 0 JGAARN CCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000008753743 554655438 /nfs/dbraw/zinc/65/54/38/554655438.db2.gz BKNKVEVNFRFETM-ZIAGYGMSSA-N 0 0 458.609 3.304 50 0 JGAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008754590 554656330 /nfs/dbraw/zinc/65/63/30/554656330.db2.gz CMVIOMHGMSUJSM-UHFFFAOYSA-N 0 0 494.495 3.226 50 0 JGAARN O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000008755191 554657046 /nfs/dbraw/zinc/65/70/46/554657046.db2.gz QNOJQKRCEHINCV-UHFFFAOYSA-N 0 0 461.591 3.281 50 0 JGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000008756500 554658588 /nfs/dbraw/zinc/65/85/88/554658588.db2.gz OYDMZQKPGQYDLO-SFHVURJKSA-N 0 0 494.660 3.393 50 0 JGAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)NC(C)C)cc1 ZINC000008764614 554665128 /nfs/dbraw/zinc/66/51/28/554665128.db2.gz OZEYJWFRDYIZNQ-XMMPIXPASA-N 0 0 455.555 3.284 50 0 biogenic JGAARN COC[C@H](C)n1c(=O)c2ccccc2nc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000008768742 554669327 /nfs/dbraw/zinc/66/93/27/554669327.db2.gz ZGJIBIGKEPWRCN-LAUBAEHRSA-N 0 0 453.564 3.296 50 0 JGAARN Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000008769383 554669859 /nfs/dbraw/zinc/66/98/59/554669859.db2.gz KCFLAZAEGARQSK-CYBMUJFWSA-N 0 0 451.552 3.299 50 0 JGAARN O=C1C=C(NC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000008771787 554671840 /nfs/dbraw/zinc/67/18/40/554671840.db2.gz ZNZFBWWTCINZSN-UHFFFAOYSA-N 0 0 480.373 3.193 50 0 JGAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000008772360 554672007 /nfs/dbraw/zinc/67/20/07/554672007.db2.gz BSAVSHMDZJLPPG-UHFFFAOYSA-N 0 0 464.469 3.038 50 0 JGAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CNC(=O)c2ccccc2)cc1 ZINC000008774384 554673398 /nfs/dbraw/zinc/67/33/98/554673398.db2.gz YRMROVDOYAKCSP-DEOSSOPVSA-N 0 0 471.513 3.346 50 0 aggregator JGAARN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)C1=O ZINC000008776610 554674423 /nfs/dbraw/zinc/67/44/23/554674423.db2.gz SENZWEWBMUNVEH-MHZLTWQESA-N 0 0 481.512 3.196 50 0 JGAARN CN(C(=O)CSc1nnc(-c2ccco2)n1C)c1ccccc1C(=O)NCc1ccco1 ZINC000008777514 554674810 /nfs/dbraw/zinc/67/48/10/554674810.db2.gz OYUMHUOPCGOKQC-UHFFFAOYSA-N 0 0 451.508 3.353 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCOC(C)C ZINC000008791837 554685151 /nfs/dbraw/zinc/68/51/51/554685151.db2.gz UNOKGHFJIOYDTD-XQEONZBOSA-N 0 0 475.655 3.497 50 0 biogenic JGAARN COc1cccc(-c2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c3nc(C)sc32)c1 ZINC000008798154 554686755 /nfs/dbraw/zinc/68/67/55/554686755.db2.gz SVNOBDVKUMFVPC-UHFFFAOYSA-N 0 0 475.574 3.186 50 0 JGAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000008801960 554687244 /nfs/dbraw/zinc/68/72/44/554687244.db2.gz OHQAIXCTAYTORP-IBGZPJMESA-N 0 0 465.575 3.447 50 0 JGAARN COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2N2CCOCC2)cc1 ZINC000008811777 554692812 /nfs/dbraw/zinc/69/28/12/554692812.db2.gz MLCNZJUBHOWLGS-UHFFFAOYSA-N 0 0 495.601 3.305 50 0 biogenic JGAARN CC(C)CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc21 ZINC000008812625 554694161 /nfs/dbraw/zinc/69/41/61/554694161.db2.gz BLKUIKIGHNZTNY-UHFFFAOYSA-N 0 0 467.657 3.241 50 0 JGAARN COc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000008813616 554696001 /nfs/dbraw/zinc/69/60/01/554696001.db2.gz XXLUTRFRUXNFIP-UHFFFAOYSA-N 0 0 473.595 3.055 50 0 JGAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008823985 554710732 /nfs/dbraw/zinc/71/07/32/554710732.db2.gz YHAYCKYGOUQXIR-KRWDZBQOSA-N 0 0 488.562 3.207 50 0 JGAARN COc1ccc(CCNC(=O)CSc2nnc(NC(=O)c3cccs3)s2)cc1OC ZINC000008823008 554710755 /nfs/dbraw/zinc/71/07/55/554710755.db2.gz WKIVQPRSPNDQSZ-UHFFFAOYSA-N 0 0 464.594 3.320 50 0 JGAARN COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1Br ZINC000008826178 554715437 /nfs/dbraw/zinc/71/54/37/554715437.db2.gz OWSKJUQSNZERAV-UHFFFAOYSA-N 0 0 475.386 3.043 50 0 JGAARN Cc1ccc(Nc2nc(COC(=O)[C@@H](C)NC3=NS(=O)(=O)c4ccccc43)cs2)cc1 ZINC000008826218 554715667 /nfs/dbraw/zinc/71/56/67/554715667.db2.gz OLNAVIQTCCARLN-CQSZACIVSA-N 0 0 456.549 3.366 50 0 JGAARN Cc1csc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)n1 ZINC000008830515 554720353 /nfs/dbraw/zinc/72/03/53/554720353.db2.gz WLWHPEHXRCCMMS-ZDUSSCGKSA-N 0 0 488.620 3.334 50 0 JGAARN COCCCNC(=O)c1c(N)n(Cc2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000008836007 554735681 /nfs/dbraw/zinc/73/56/81/554735681.db2.gz GKXCLGIJCQDWKQ-UHFFFAOYSA-N 0 0 479.537 3.007 50 0 JGAARN COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccccc2)c1 ZINC000008837933 554739075 /nfs/dbraw/zinc/73/90/75/554739075.db2.gz IGPAJJLONHANNK-QFIPXVFZSA-N 0 0 488.569 3.367 50 0 JGAARN CCOC(=O)N1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(F)cc2)CC1 ZINC000008844402 554741382 /nfs/dbraw/zinc/74/13/82/554741382.db2.gz AKNDEKQGDTWAPV-UHFFFAOYSA-N 0 0 453.470 3.312 50 0 JGAARN CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccccn3)cs2)cc1 ZINC000008850502 554747512 /nfs/dbraw/zinc/74/75/12/554747512.db2.gz GPHWXRSKAWASBZ-UHFFFAOYSA-N 0 0 455.565 3.086 50 0 JGAARN COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)c1 ZINC000008850941 554747948 /nfs/dbraw/zinc/74/79/48/554747948.db2.gz IKPAGZDIEGPUGQ-UHFFFAOYSA-N 0 0 471.560 3.470 50 0 JGAARN C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008851084 554748077 /nfs/dbraw/zinc/74/80/77/554748077.db2.gz ZXDXVNKLLOSRJU-AWEZNQCLSA-N 0 0 466.943 3.404 50 0 JGAARN COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 ZINC000008851406 554748354 /nfs/dbraw/zinc/74/83/54/554748354.db2.gz BVXHJXDTJIDCHS-UHFFFAOYSA-N 0 0 471.560 3.470 50 0 JGAARN COC[C@H](C)n1c(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nc2ccccc2c1=O ZINC000008856002 554751844 /nfs/dbraw/zinc/75/18/44/554751844.db2.gz QCNCMZXZBFLUNA-INIZCTEOSA-N 0 0 483.590 3.298 50 0 JGAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008858222 554755091 /nfs/dbraw/zinc/75/50/91/554755091.db2.gz FEMCNROCQNJMCL-GGBGLAKVSA-N 0 0 476.554 3.091 50 0 JGAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1=O ZINC000008861022 554757798 /nfs/dbraw/zinc/75/77/98/554757798.db2.gz RNLAUCLIDNVCFX-VWLOTQADSA-N 0 0 492.557 3.076 50 0 JGAARN Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008861245 554758159 /nfs/dbraw/zinc/75/81/59/554758159.db2.gz IBCOAQFKYHVBFM-UHFFFAOYSA-N 0 0 473.485 3.056 50 0 JGAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c12 ZINC000008861835 554759174 /nfs/dbraw/zinc/75/91/74/554759174.db2.gz CCUYGQJODARUAU-UHFFFAOYSA-N 0 0 482.587 3.322 50 0 JGAARN O=C(COc1ccc(Br)cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008868483 554762201 /nfs/dbraw/zinc/76/22/01/554762201.db2.gz VHSWOMYZGVZWLB-KRWDZBQOSA-N 0 0 456.333 3.183 50 0 JGAARN CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1 ZINC000008876849 554772135 /nfs/dbraw/zinc/77/21/35/554772135.db2.gz RHGUVQREZFOAFQ-FBROZUCGSA-N 0 0 481.618 3.026 50 0 biogenic JGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008879311 554774888 /nfs/dbraw/zinc/77/48/88/554774888.db2.gz LUSFRLUZJDGCJP-HXUWFJFHSA-N 0 0 467.595 3.195 50 0 JGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008879317 554774917 /nfs/dbraw/zinc/77/49/17/554774917.db2.gz LUSFRLUZJDGCJP-FQEVSTJZSA-N 0 0 467.595 3.195 50 0 JGAARN COc1cc(NC(=O)CC[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc(OC)c1 ZINC000008879864 554775395 /nfs/dbraw/zinc/77/53/95/554775395.db2.gz SYNQYQJYRCPKII-NRFANRHFSA-N 0 0 450.495 3.271 50 0 biogenic JGAARN CCOC(=O)C1CCN(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1 ZINC000008880040 554775554 /nfs/dbraw/zinc/77/55/54/554775554.db2.gz BJDAWSZEWBWZKG-UHFFFAOYSA-N 0 0 451.475 3.346 50 0 biogenic JGAARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2SC)cc1S(=O)(=O)N1CCCC1 ZINC000008881595 554776755 /nfs/dbraw/zinc/77/67/55/554776755.db2.gz YPHMBGHNWCBQPW-OAHLLOKOSA-N 0 0 478.592 3.386 50 0 JGAARN O=C(Cn1nnc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000008882682 554777286 /nfs/dbraw/zinc/77/72/86/554777286.db2.gz PFWQITPFSOXINO-UHFFFAOYSA-N 0 0 450.502 3.020 50 0 JGAARN O=C(CN(Cc1cccs1)Cc1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008882578 554777291 /nfs/dbraw/zinc/77/72/91/554777291.db2.gz SMEYVMWCGGMBMF-UHFFFAOYSA-N 0 0 489.688 3.486 50 0 JGAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(=O)n(Cc3ccccc3)n1)CCCCC2 ZINC000008882959 554777837 /nfs/dbraw/zinc/77/78/37/554777837.db2.gz BDXLREGHJLAGKI-UHFFFAOYSA-N 0 0 495.557 3.204 50 0 JGAARN Cc1c(NC(=O)CSc2ccccc2C(=O)O[C@H]2C[C@@H](C)OC2=O)c(=O)n(-c2ccccc2)n1C ZINC000008883191 554777939 /nfs/dbraw/zinc/77/79/39/554777939.db2.gz PPHDHYHREOPNGC-BEFAXECRSA-N 0 0 495.557 3.076 50 0 JGAARN COc1ccc(CCn2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000008883310 554777962 /nfs/dbraw/zinc/77/79/62/554777962.db2.gz VWIQBDZKSGMRPN-UHFFFAOYSA-N 0 0 498.601 3.369 50 0 JGAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](CC)(c3ccc(F)cc3)C2=O)cc1 ZINC000008891841 554780155 /nfs/dbraw/zinc/78/01/55/554780155.db2.gz NAFNAPIFVCZTAT-XMMPIXPASA-N 0 0 454.502 3.104 50 0 JGAARN CNS(=O)(=O)c1cccc2c(NC(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)cccc21 ZINC000008892215 554780374 /nfs/dbraw/zinc/78/03/74/554780374.db2.gz UMJHBMJUIZYMMZ-OAQYLSRUSA-N 0 0 467.547 3.488 50 0 JGAARN COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000008899336 554790253 /nfs/dbraw/zinc/79/02/53/554790253.db2.gz YEYIKEXPBYSEAF-RXFWQSSRSA-N 0 0 460.534 3.145 50 0 JGAARN CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCN(c3ccccc3)CC2)s1 ZINC000008912358 554802395 /nfs/dbraw/zinc/80/23/95/554802395.db2.gz FCDBRYIBXAKVNV-UHFFFAOYSA-N 0 0 498.051 3.359 50 0 JGAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN(CC)CC)s1 ZINC000008912478 554802622 /nfs/dbraw/zinc/80/26/22/554802622.db2.gz ZWFTTXOYGGGHLO-UHFFFAOYSA-N 0 0 459.659 3.222 50 0 JGAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000008916695 554811134 /nfs/dbraw/zinc/81/11/34/554811134.db2.gz IFGXXHARJRGTFZ-UHFFFAOYSA-N 0 0 459.911 3.071 50 0 JGAARN COC(=O)c1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 ZINC000008916715 554811140 /nfs/dbraw/zinc/81/11/40/554811140.db2.gz ABEWLABZPIWPCO-UHFFFAOYSA-N 0 0 459.911 3.451 50 0 JGAARN CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000008918129 554814149 /nfs/dbraw/zinc/81/41/49/554814149.db2.gz LCQCXBNKKAGCCX-JFLXGGRUSA-N 0 0 484.593 3.091 50 0 biogenic JGAARN COC(=O)c1cc(OC)c(OC)cc1N1C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000008918264 554814540 /nfs/dbraw/zinc/81/45/40/554814540.db2.gz QSFJZPFPPPRENH-VWLOTQADSA-N 0 0 479.489 3.220 50 0 biogenic JGAARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008918957 554815763 /nfs/dbraw/zinc/81/57/63/554815763.db2.gz TUQNSHCPJUCEFG-UHFFFAOYSA-N 0 0 450.543 3.255 50 0 JGAARN COc1ccc(CCNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918817 554815814 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CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000023188058 556029753 /nfs/dbraw/zinc/02/97/53/556029753.db2.gz LEXZZJYTPAIOIU-OAQYLSRUSA-N 0 0 494.013 3.335 50 0 JGAARN Cc1cc(C)n(CCC(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 ZINC000023206374 556031458 /nfs/dbraw/zinc/03/14/58/556031458.db2.gz DOOSNJWVAPETKV-MRXNPFEDSA-N 0 0 468.476 3.316 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000023221006 556031797 /nfs/dbraw/zinc/03/17/97/556031797.db2.gz XQKYXONQXVIBEG-UHFFFAOYSA-N 0 0 463.943 3.044 50 0 JGAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000012550761 556032105 /nfs/dbraw/zinc/03/21/05/556032105.db2.gz DMQQSFXKKPGHME-UHFFFAOYSA-N 0 0 488.610 3.253 50 0 JGAARN Cc1cccc(NC(=O)[C@H](C)n2nc(-c3ccc(C)c(S(N)(=O)=O)c3)c3c(c2=O)CCCC3)c1 ZINC000015860629 556032165 /nfs/dbraw/zinc/03/21/65/556032165.db2.gz WLPCFHZRWZLGNF-KRWDZBQOSA-N 0 0 480.590 3.253 50 0 JGAARN 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COc1ccc(CCNC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 ZINC000015881030 556052844 /nfs/dbraw/zinc/05/28/44/556052844.db2.gz HWPVLYFTNYRXGA-UHFFFAOYSA-N 0 0 455.536 3.323 50 0 biogenic JGAARN COc1cccc(CCNC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)c1 ZINC000015881060 556053145 /nfs/dbraw/zinc/05/31/45/556053145.db2.gz HRJCLCYHBDCZCM-UHFFFAOYSA-N 0 0 455.536 3.323 50 0 biogenic JGAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)[C@H](OC(C)=O)c4ccccc4)CC3)n2)cc1 ZINC000023425939 556053555 /nfs/dbraw/zinc/05/35/55/556053555.db2.gz NEGCAGOSSYXJQZ-XMMPIXPASA-N 0 0 460.534 3.495 50 0 JGAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1 ZINC000023427795 556054277 /nfs/dbraw/zinc/05/42/77/556054277.db2.gz ZDTSMUFGQWQTGF-KRWDZBQOSA-N 0 0 450.543 3.385 50 0 JGAARN COc1ccc(-c2nc3sc(CCNC(=O)C(=O)Nc4ccc(NC(C)=O)cc4)c(C)n3n2)cc1 ZINC000015882133 556055136 /nfs/dbraw/zinc/05/51/36/556055136.db2.gz KEBMRISMYYVDML-UHFFFAOYSA-N 0 0 492.561 3.031 50 0 JGAARN 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556076753 /nfs/dbraw/zinc/07/67/53/556076753.db2.gz PGHAUHNKYHFJBO-UHFFFAOYSA-N 0 0 468.608 3.173 50 0 JGAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)cc1 ZINC000015941638 556076973 /nfs/dbraw/zinc/07/69/73/556076973.db2.gz MWKNKOYVIKVOIK-UHFFFAOYSA-N 0 0 485.606 3.379 50 0 JGAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000023538147 556077092 /nfs/dbraw/zinc/07/70/92/556077092.db2.gz IEMYHTXQTDWDJP-UHFFFAOYSA-N 0 0 460.578 3.459 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)cc2C[C@@H]1C ZINC000015943435 556078933 /nfs/dbraw/zinc/07/89/33/556078933.db2.gz ZUBZSXCFTUSQOX-DOTOQJQBSA-N 0 0 459.543 3.163 50 0 JGAARN CN1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)cc2C(C)(C)C1=O ZINC000015943531 556079150 /nfs/dbraw/zinc/07/91/50/556079150.db2.gz NPMOPWQLFRULCM-KRWDZBQOSA-N 0 0 490.025 3.311 50 0 JGAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000023567515 556079212 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COc1ccc(COC[C@H](O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1OC ZINC000023819884 556090045 /nfs/dbraw/zinc/09/00/45/556090045.db2.gz OLSYAMZXDIRCTH-QGZVFWFLSA-N 0 0 489.922 3.471 50 0 JGAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000023846230 556091966 /nfs/dbraw/zinc/09/19/66/556091966.db2.gz IPCKMCIKEZKFTR-UHFFFAOYSA-N 0 0 460.870 3.152 50 0 JGAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)cc1 ZINC000023861170 556093312 /nfs/dbraw/zinc/09/33/12/556093312.db2.gz XAQTUNJFZALSCI-UHFFFAOYSA-N 0 0 486.663 3.277 50 0 JGAARN O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccccc1CN1CCOCC1 ZINC000023866669 556095100 /nfs/dbraw/zinc/09/51/00/556095100.db2.gz HTEXNPZTRSMRBJ-UHFFFAOYSA-N 0 0 499.677 3.333 50 0 JGAARN Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)nn1-c1ccccc1C(F)(F)F ZINC000023873278 556096854 /nfs/dbraw/zinc/09/68/54/556096854.db2.gz OMBSZZWSSFNOEX-UHFFFAOYSA-N 0 0 498.505 3.453 50 0 JGAARN 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/nfs/dbraw/zinc/26/28/68/556262868.db2.gz AUBGKXPBXQMQJM-ROUUACIJSA-N 0 0 473.595 3.437 50 0 JGAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(N2CCCC2=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000017663149 556263528 /nfs/dbraw/zinc/26/35/28/556263528.db2.gz QCGOONNGAJUWJQ-NRFANRHFSA-N 0 0 477.517 3.006 50 0 JGAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1)N1CCOCC1 ZINC000017665710 556263565 /nfs/dbraw/zinc/26/35/65/556263565.db2.gz PPFYOZZCADUOMN-KNQAVFIVSA-N 0 0 465.575 3.268 50 0 JGAARN COc1ccc(C(=O)N[C@@H](N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(Cl)(Cl)Cl)cc1 ZINC000026841569 556264165 /nfs/dbraw/zinc/26/41/65/556264165.db2.gz DVDDMVOTBCDRPJ-AGKSTNPPSA-N 0 0 470.784 3.402 50 0 biogenic JGAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)c2)C1 ZINC000017727725 556264769 /nfs/dbraw/zinc/26/47/69/556264769.db2.gz POSHTVOORNMJAA-KGVIQGDOSA-N 0 0 458.580 3.340 50 0 JGAARN C[C@@H](c1nc2ccccc2s1)N1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000026893036 556265435 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COc1cc(CNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc(OC)c1OC ZINC000027133545 556274381 /nfs/dbraw/zinc/27/43/81/556274381.db2.gz MGQPDVUQQBSKIK-UHFFFAOYSA-N 0 0 481.530 3.203 50 0 JGAARN CCCCn1cnc2c1c(=O)n(Cc1nnc(-c3ccccc3)o1)c(=O)n2Cc1ccccc1 ZINC000013074125 556274594 /nfs/dbraw/zinc/27/45/94/556274594.db2.gz YUSZCFZCGHKRFQ-UHFFFAOYSA-N 0 0 456.506 3.306 50 0 JGAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c1 ZINC000027159023 556274751 /nfs/dbraw/zinc/27/47/51/556274751.db2.gz GNWHPIBDNSRIIK-UHFFFAOYSA-N 0 0 467.547 3.295 50 0 JGAARN O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 ZINC000013074472 556275157 /nfs/dbraw/zinc/27/51/57/556275157.db2.gz PTTOTRUALKVVEE-HXUWFJFHSA-N 0 0 462.955 3.164 50 0 JGAARN C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000018012823 556276521 /nfs/dbraw/zinc/27/65/21/556276521.db2.gz WMLRHWRZXCIWCU-AWEZNQCLSA-N 0 0 465.428 3.186 50 0 JGAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)cc3)cc2)C1 ZINC000013075309 556276653 /nfs/dbraw/zinc/27/66/53/556276653.db2.gz NZIFNXUWNUFENP-CALCHBBNSA-N 0 0 461.559 3.203 50 0 JGAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000018026103 556277953 /nfs/dbraw/zinc/27/79/53/556277953.db2.gz LPPNECQOICBJTM-UHFFFAOYSA-N 0 0 477.539 3.079 50 0 JGAARN CCCn1c2ccccc2n(CCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1=O ZINC000027440749 556278446 /nfs/dbraw/zinc/27/84/46/556278446.db2.gz KEJIQTAFGPZAFU-UHFFFAOYSA-N 0 0 496.633 3.367 50 0 JGAARN O=C([C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000027474405 556280129 /nfs/dbraw/zinc/28/01/29/556280129.db2.gz KADVNODRYRHKEU-SFHVURJKSA-N 0 0 482.389 3.223 50 0 JGAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000018047302 556280262 /nfs/dbraw/zinc/28/02/62/556280262.db2.gz UCUWOOJQSJFVTJ-VWLOTQADSA-N 0 0 497.592 3.108 50 0 JGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000027520726 556283613 /nfs/dbraw/zinc/28/36/13/556283613.db2.gz QXQYKNFMFDFCIL-SQWSFHKJSA-N 0 0 499.386 3.179 50 0 JGAARN CC(=O)N1C[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)Oc2ccccc21 ZINC000018079195 556284544 /nfs/dbraw/zinc/28/45/44/556284544.db2.gz LZFANTCYJBZKNA-SFHVURJKSA-N 0 0 468.863 3.217 50 0 JGAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCCCSc1ccccc1 ZINC000018082771 556285171 /nfs/dbraw/zinc/28/51/71/556285171.db2.gz JWKDHTKFYFUFOB-UHFFFAOYSA-N 0 0 457.415 3.416 50 0 JGAARN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000018093308 556286568 /nfs/dbraw/zinc/28/65/68/556286568.db2.gz BFVCNLHKNNGHFR-HNNXBMFYSA-N 0 0 499.814 3.187 50 0 JGAARN O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000018093306 556286628 /nfs/dbraw/zinc/28/66/28/556286628.db2.gz HKQGZTLPVCDLGP-UHFFFAOYSA-N 0 0 461.740 3.388 50 0 JGAARN O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl ZINC000013095751 556288634 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O=C(Cc1sc(N2CCCCC2)nc1O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000013134488 556363152 /nfs/dbraw/zinc/36/31/52/556363152.db2.gz UUFZYNPQASQNFZ-FQEVSTJZSA-N 0 0 450.564 3.429 50 0 JGAARN COc1cccc(CCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1OC ZINC000030063432 556363355 /nfs/dbraw/zinc/36/33/55/556363355.db2.gz SCLKRCFMERTJAK-UHFFFAOYSA-N 0 0 458.580 3.400 50 0 JGAARN CC(C)c1ccc2c(c1)CCCN2CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000030140537 556363806 /nfs/dbraw/zinc/36/38/06/556363806.db2.gz TWWFRGNLGOKARZ-UHFFFAOYSA-N 0 0 457.596 3.222 50 0 JGAARN O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000030183608 556364266 /nfs/dbraw/zinc/36/42/66/556364266.db2.gz STELITQRQXHMDY-UHFFFAOYSA-N 0 0 499.593 3.447 50 0 JGAARN C[C@H](Sc1nc2ccccc2c(=O)n1Nc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013134909 556365077 /nfs/dbraw/zinc/36/50/77/556365077.db2.gz PSFGBCQHMGLKJN-HNNXBMFYSA-N 0 0 495.586 3.038 50 0 JGAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000030498403 556365872 /nfs/dbraw/zinc/36/58/72/556365872.db2.gz XAFVDZWQLUQOPL-UHFFFAOYSA-N 0 0 468.501 3.128 50 0 JGAARN Cc1sc2nc(CN3CCCC3)nc(N3CCN(c4nnnn4-c4ccccc4)CC3)c2c1C ZINC000030520665 556366253 /nfs/dbraw/zinc/36/62/53/556366253.db2.gz SOTAERYMOZWNCV-UHFFFAOYSA-N 0 0 475.626 3.206 50 0 JGAARN Cc1nnc(SCC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)n1Cc1ccccc1 ZINC000030538103 556366554 /nfs/dbraw/zinc/36/65/54/556366554.db2.gz SMXDDEMQTCMBHI-QHCPKHFHSA-N 0 0 465.623 3.225 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C)c1 ZINC000019772682 556369100 /nfs/dbraw/zinc/36/91/00/556369100.db2.gz OULBQIZFVWBUOQ-UHFFFAOYSA-N 0 0 491.613 3.368 50 0 JGAARN NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000019798933 556376185 /nfs/dbraw/zinc/37/61/85/556376185.db2.gz FXPSJNYGHZLEEE-DQEYMECFSA-N 0 0 484.556 3.218 50 0 JGAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000019799517 556376602 /nfs/dbraw/zinc/37/66/02/556376602.db2.gz 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C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000031331973 556395886 /nfs/dbraw/zinc/39/58/86/556395886.db2.gz SXAIZHQVHZMOJY-SNVBAGLBSA-N 0 0 469.514 3.120 50 0 JGAARN O=C(NCCc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 ZINC000031352444 556396141 /nfs/dbraw/zinc/39/61/41/556396141.db2.gz UGVCOCRMDJZOBH-UHFFFAOYSA-N 0 0 499.633 3.205 50 0 JGAARN C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000031473982 556397407 /nfs/dbraw/zinc/39/74/07/556397407.db2.gz BUTUTHHJTAXMFU-DEOSSOPVSA-N 0 0 466.925 3.404 50 0 JGAARN C[C@@H](NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1Br ZINC000031487083 556397940 /nfs/dbraw/zinc/39/79/40/556397940.db2.gz RPUHHXQLXPFJOQ-SECBINFHSA-N 0 0 462.163 3.350 50 0 JGAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)o1 ZINC000031578919 556399821 /nfs/dbraw/zinc/39/98/21/556399821.db2.gz LBQAYFHIMWIPTJ-UHFFFAOYSA-N 0 0 452.554 3.218 50 0 JGAARN CC(=O)N(c1nc(COC(=O)CCn2nnc3ccccc3c2=O)cs1)c1ccccc1F ZINC000031641572 556401040 /nfs/dbraw/zinc/40/10/40/556401040.db2.gz DNLXXOMFXMAEMC-UHFFFAOYSA-N 0 0 467.482 3.205 50 0 JGAARN O=C(c1ccco1)N1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CC1 ZINC000031685734 556401869 /nfs/dbraw/zinc/40/18/69/556401869.db2.gz DJJJVVGDIGUUCN-UHFFFAOYSA-N 0 0 451.483 3.326 50 0 JGAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000031777902 556403862 /nfs/dbraw/zinc/40/38/62/556403862.db2.gz SQRZGEPILXFUIA-HXUWFJFHSA-N 0 0 452.898 3.185 50 0 JGAARN Cc1ccc(-c2noc([C@H](C)N3CCN(CN4C(=O)NC5(C4=O)[C@H](C)CCC[C@H]5C)CC3)n2)cc1 ZINC000031784212 556404226 /nfs/dbraw/zinc/40/42/26/556404226.db2.gz SPPXLUQDDQVZHQ-AQNXPRMDSA-N 0 0 480.613 3.428 50 0 JGAARN CCOC(=O)C1=C(CSc2cc(C(=O)NC3CC3)c3ccccc3n2)NC(=O)N[C@H]1CC ZINC000031782517 556404268 /nfs/dbraw/zinc/40/42/68/556404268.db2.gz FBUOBCPJVWQEHE-INIZCTEOSA-N 0 0 454.552 3.128 50 0 JGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NCCN3CCOCC3)nn1-c1cccc(Cl)c1)C2 ZINC000031807927 556405315 /nfs/dbraw/zinc/40/53/15/556405315.db2.gz 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473.554 3.288 50 0 JGAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)n(C)c1 ZINC000032211169 556433737 /nfs/dbraw/zinc/43/37/37/556433737.db2.gz MFOFHWJVILXTBI-QGZVFWFLSA-N 0 0 489.667 3.184 50 0 JGAARN O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000032248122 556434054 /nfs/dbraw/zinc/43/40/54/556434054.db2.gz QLVWZXRSTHJUHP-CLJLJLNGSA-N 0 0 457.574 3.045 50 0 JGAARN COc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000032386203 556434996 /nfs/dbraw/zinc/43/49/96/556434996.db2.gz GQEVCCBYLGSRGP-KRWDZBQOSA-N 0 0 451.483 3.121 50 0 JGAARN C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000032429864 556435288 /nfs/dbraw/zinc/43/52/88/556435288.db2.gz MMOYWJIWWKLJME-KURKYZTESA-N 0 0 472.051 3.132 50 0 JGAARN Brc1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCCO4)CC1)OCCO2 ZINC000032489461 556436240 /nfs/dbraw/zinc/43/62/40/556436240.db2.gz WBYRNQPMZRYGJB-UHFFFAOYSA-N 0 0 461.356 3.309 50 0 JGAARN COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032643289 556465538 /nfs/dbraw/zinc/46/55/38/556465538.db2.gz ZIKAFIGBKVYHSN-QHCPKHFHSA-N 0 0 454.523 3.266 50 0 JGAARN CCOC(=O)c1c(C)c2ccccc2nc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032652411 556465863 /nfs/dbraw/zinc/46/58/63/556465863.db2.gz XGTOUFNLNBGKHE-UHFFFAOYSA-N 0 0 471.554 3.366 50 0 JGAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)C1=O ZINC000032667957 556467429 /nfs/dbraw/zinc/46/74/29/556467429.db2.gz CBVWWXUUPFYBDV-SANMLTNESA-N 0 0 462.550 3.241 50 0 JGAARN COc1ccc(OCc2nnc(S[C@@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2C)cc1 ZINC000032672040 556468247 /nfs/dbraw/zinc/46/82/47/556468247.db2.gz NRHVSYYGNAFNPS-AWEZNQCLSA-N 0 0 476.580 3.138 50 0 JGAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000032707927 556472660 /nfs/dbraw/zinc/47/26/60/556472660.db2.gz ZNTUONRQOAWDDO-INIZCTEOSA-N 0 0 471.535 3.393 50 0 JGAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 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/nfs/dbraw/zinc/47/85/99/556478599.db2.gz HFCNWAHDYFVGBI-UHFFFAOYSA-N 0 0 450.486 3.464 50 0 JGAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1=O ZINC000032739557 556479562 /nfs/dbraw/zinc/47/95/62/556479562.db2.gz JDYSWSZUPREDCO-UHFFFAOYSA-N 0 0 497.596 3.063 50 0 JGAARN C[C@H](OC(=O)c1cc2ccc(F)cc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000032739675 556479906 /nfs/dbraw/zinc/47/99/06/556479906.db2.gz CUEWPCBNIFICHS-AWEZNQCLSA-N 0 0 492.550 3.245 50 0 JGAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCSc2ccc(C)cc2)CC1 ZINC000032740646 556480129 /nfs/dbraw/zinc/48/01/29/556480129.db2.gz CAGYFFQMUUMKKI-UHFFFAOYSA-N 0 0 476.620 3.091 50 0 JGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 ZINC000032741135 556480784 /nfs/dbraw/zinc/48/07/84/556480784.db2.gz JUYCMWFWSBFKFI-UHFFFAOYSA-N 0 0 479.602 3.274 50 0 JGAARN CCOc1cc2c(cc1CNC(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)O[C@@H](C)C2 ZINC000032741049 556480830 /nfs/dbraw/zinc/48/08/30/556480830.db2.gz 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COc1cccc(CN2Cc3cc(NS(=O)(=O)c4ccccc4)ccc3OCC2=O)c1OC ZINC000035910080 569725419 /nfs/dbraw/zinc/72/54/19/569725419.db2.gz NXQMVISUONLVEA-UHFFFAOYSA-N 0 0 468.531 3.426 50 0 JGAARN Cc1nc(CC(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1c(F)cccc1Cl ZINC000095540856 569726490 /nfs/dbraw/zinc/72/64/90/569726490.db2.gz MWQVVHRLTUUKHJ-UHFFFAOYSA-N 0 0 454.999 3.448 50 0 JGAARN CCCS(=O)(=O)N1CCN(c2nc(C(C)C)nc(COC)c2Cc2ccccc2F)CC1 ZINC000095544306 569726842 /nfs/dbraw/zinc/72/68/42/569726842.db2.gz OHYUMCCDJKCCRZ-UHFFFAOYSA-N 0 0 464.607 3.338 50 0 JGAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CN4C(=O)COc5ccccc54)ccc32)cc1 ZINC000095549602 569727391 /nfs/dbraw/zinc/72/73/91/569727391.db2.gz BOGZONYQSIMKNN-UHFFFAOYSA-N 0 0 455.514 3.240 50 0 JGAARN CCS(=O)(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035912558 569727677 /nfs/dbraw/zinc/72/76/77/569727677.db2.gz PMKZWLPNOMXJRL-UHFFFAOYSA-N 0 0 490.633 3.495 50 0 JGAARN CN(Cc1ccccc1)c1nc2c(c(N3CCOCC3)n1)CN(C(=O)Cc1ccccc1)CC2 ZINC000095551944 569727674 /nfs/dbraw/zinc/72/76/74/569727674.db2.gz BQWIINZDDOXSDF-UHFFFAOYSA-N 0 0 457.578 3.077 50 0 JGAARN CCOC(=O)CCC(=O)N1CCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925480 569728823 /nfs/dbraw/zinc/72/88/23/569728823.db2.gz TYUDFBUTEHLSIU-UHFFFAOYSA-N 0 0 464.570 3.006 50 0 JGAARN O=c1oc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2n1Cc1noc(C2CCC2)n1 ZINC000095841801 569728956 /nfs/dbraw/zinc/72/89/56/569728956.db2.gz LAWJUIHWZXFGRG-UHFFFAOYSA-N 0 0 474.926 3.425 50 0 JGAARN CCCc1nc2c(cnn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035925644 569729017 /nfs/dbraw/zinc/72/90/17/569729017.db2.gz RYRZIDOXNFXVSB-UHFFFAOYSA-N 0 0 462.579 3.279 50 0 JGAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCC2)c1 ZINC000095841968 569729155 /nfs/dbraw/zinc/72/91/55/569729155.db2.gz RZCFFLLHPIADEK-UHFFFAOYSA-N 0 0 459.593 3.493 50 0 JGAARN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCOCC2)c(Cl)c1 ZINC000095841964 569729160 /nfs/dbraw/zinc/72/91/60/569729160.db2.gz UNAGRBWNPVDTOF-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/87/11/16/569871116.db2.gz SPXMDNQSCFRFNC-CVEARBPZSA-N 0 0 475.542 3.201 50 0 JGAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCc5ccccc5C4)C3)c(C)cc2NC1=O ZINC000169683920 569871223 /nfs/dbraw/zinc/87/12/23/569871223.db2.gz UTRLJJVRSFPKHQ-IFMALSPDSA-N 0 0 497.617 3.090 50 0 JGAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCc5ccccc5C4)C3)c(C)cc2NC1=O ZINC000169683919 569871230 /nfs/dbraw/zinc/87/12/30/569871230.db2.gz UTRLJJVRSFPKHQ-IRLDBZIGSA-N 0 0 497.617 3.090 50 0 JGAARN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000169684183 569871335 /nfs/dbraw/zinc/87/13/35/569871335.db2.gz BSYRTAONIWXMQO-ACJLOTCBSA-N 0 0 463.943 3.160 50 0 JGAARN COc1ccc(C(=O)N2CCC3(CC2)NC(c2cccc(Br)c2)=NO3)c(OC)c1 ZINC000169754879 569871730 /nfs/dbraw/zinc/87/17/30/569871730.db2.gz NTKHLTOIRSAPCB-UHFFFAOYSA-N 0 0 460.328 3.380 50 0 JGAARN COc1ccc(CN2C=C(C(=O)OCc3noc(-c4ccccc4C)n3)C(C)=NS2(=O)=O)cc1 ZINC000169755090 569871738 /nfs/dbraw/zinc/87/17/38/569871738.db2.gz ISGVXXABCYSUJC-UHFFFAOYSA-N 0 0 482.518 3.202 50 0 JGAARN CCOC(=O)c1ccccc1NC(=O)CN1C2=C(C(=O)OC2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000169757844 569871763 /nfs/dbraw/zinc/87/17/63/569871763.db2.gz LMYWSZURDOSDGW-FQEVSTJZSA-N 0 0 469.881 3.033 50 0 JGAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C2=C(C(=O)OC2)[C@@H](c2ccccc2Cl)NC1=O ZINC000169758043 569871848 /nfs/dbraw/zinc/87/18/48/569871848.db2.gz IOLXGLUOUIGDLX-OYHNWAKOSA-N 0 0 453.926 3.355 50 0 JGAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)C2=C1C(=O)OC2 ZINC000169758156 569871852 /nfs/dbraw/zinc/87/18/52/569871852.db2.gz ROXRNBRMOGUXDQ-BXKMTCNYSA-N 0 0 463.534 3.100 50 0 JGAARN CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(Br)c2)C2=C1C(=O)OC2 ZINC000169758160 569871870 /nfs/dbraw/zinc/87/18/70/569871870.db2.gz GJTMLIIQULVMIF-HXUWFJFHSA-N 0 0 486.322 3.364 50 0 JGAARN CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C2=C1C(=O)OC2 ZINC000169758141 569871883 /nfs/dbraw/zinc/87/18/83/569871883.db2.gz 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195140847 /nfs/dbraw/zinc/14/08/47/195140847.db2.gz YLPHHKDXMDLAPP-UHFFFAOYSA-N 0 0 458.396 3.038 50 0 JGAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000012805751 195141508 /nfs/dbraw/zinc/14/15/08/195141508.db2.gz NXPPNMHWXXKWQV-UHFFFAOYSA-N 0 0 469.405 3.190 50 0 JGAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000012805677 195141525 /nfs/dbraw/zinc/14/15/25/195141525.db2.gz OUUCURAUVUHRIQ-INIZCTEOSA-N 0 0 478.920 3.105 50 0 JGAARN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)c1c(F)cccc1Cl ZINC000012807086 195142274 /nfs/dbraw/zinc/14/22/74/195142274.db2.gz BYBJOYCLHCJAER-IBGZPJMESA-N 0 0 485.984 3.438 50 0 JGAARN Cc1noc(C)c1CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1 ZINC000012808070 195142929 /nfs/dbraw/zinc/14/29/29/195142929.db2.gz SCZWNNUXTZBRIL-UHFFFAOYSA-N 0 0 458.609 3.485 50 0 JGAARN C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cccc2ccccc21 ZINC000012808471 195143061 /nfs/dbraw/zinc/14/30/61/195143061.db2.gz NZCKDPBHWIAIQR-UQBPGWFLSA-N 0 0 459.546 3.001 50 0 JGAARN Cc1cc(NC(=O)[C@@H](C)Sc2nnc(S[C@@H](C)C(=O)Nc3cc(C)on3)s2)no1 ZINC000012809258 195143354 /nfs/dbraw/zinc/14/33/54/195143354.db2.gz XBGHQPYDNZMORR-AOOOYVTPSA-N 0 0 454.559 3.370 50 0 JGAARN O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000012809602 195143615 /nfs/dbraw/zinc/14/36/15/195143615.db2.gz ITQBEIBWBZFYIV-SFHVURJKSA-N 0 0 479.480 3.476 50 0 JGAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000012810304 195144114 /nfs/dbraw/zinc/14/41/14/195144114.db2.gz HDWMCBFJVTYUIA-UHFFFAOYSA-N 0 0 457.596 3.380 50 0 JGAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000012811767 195144762 /nfs/dbraw/zinc/14/47/62/195144762.db2.gz PPCKZCDLVNBXKH-INIZCTEOSA-N 0 0 499.456 3.285 50 0 JGAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012812726 195145020 /nfs/dbraw/zinc/14/50/20/195145020.db2.gz BWBSRIKRIZBYSH-UHFFFAOYSA-N 0 0 489.544 3.093 50 0 JGAARN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Br)cc1 ZINC000012812727 195145086 /nfs/dbraw/zinc/14/50/86/195145086.db2.gz HUINSQYPPRERRJ-KDOFPFPSSA-N 0 0 467.385 3.397 50 0 JGAARN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012813219 195145568 /nfs/dbraw/zinc/14/55/68/195145568.db2.gz GVBUYYNNKNIGHM-OAHLLOKOSA-N 0 0 488.915 3.443 50 0 JGAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012814301 195146028 /nfs/dbraw/zinc/14/60/28/195146028.db2.gz ILFGWLFATDKHSD-UHFFFAOYSA-N 0 0 464.849 3.389 50 0 JGAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)c3ccc(CCNC(C)=O)s3)nc2c1 ZINC000012815527 195146502 /nfs/dbraw/zinc/14/65/02/195146502.db2.gz UGPKGRUEKOHILT-UHFFFAOYSA-N 0 0 494.664 3.356 50 0 JGAARN COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccccc3Br)sc2c1 ZINC000012822887 195150116 /nfs/dbraw/zinc/15/01/16/195150116.db2.gz HLLOEEXPMHCHMH-UHFFFAOYSA-N 0 0 470.370 3.375 50 0 JGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000012822337 195150145 /nfs/dbraw/zinc/15/01/45/195150145.db2.gz HELVQRAAEPBMDX-QGZVFWFLSA-N 0 0 461.609 3.414 50 0 JGAARN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)C(=O)N(C)C1CCCCC1 ZINC000012824633 195150468 /nfs/dbraw/zinc/15/04/68/195150468.db2.gz VVMSOMMBXXBUBU-SFHVURJKSA-N 0 0 450.601 3.444 50 0 JGAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc32)C1=O ZINC000012824107 195150480 /nfs/dbraw/zinc/15/04/80/195150480.db2.gz QENJWANXFUPTCY-HSZRJFAPSA-N 0 0 451.504 3.484 50 0 JGAARN O=C(NCc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012825446 195150767 /nfs/dbraw/zinc/15/07/67/195150767.db2.gz HUXLICJLRJKHSW-UHFFFAOYSA-N 0 0 496.532 3.166 50 0 JGAARN O=C(NCc1ccccc1OC(F)F)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000012827467 195151050 /nfs/dbraw/zinc/15/10/50/195151050.db2.gz UEJXGGWXXMDLFN-UHFFFAOYSA-N 0 0 470.402 3.277 50 0 JGAARN C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1F ZINC000012825717 195151147 /nfs/dbraw/zinc/15/11/47/195151147.db2.gz XXPOUBGPCZSJTQ-OAHLLOKOSA-N 0 0 499.967 3.109 50 0 JGAARN COc1ccc(Br)cc1CN(C)C(=O)CNS(=O)(=O)/C=C/c1ccccc1 ZINC000012848475 195153531 /nfs/dbraw/zinc/15/35/31/195153531.db2.gz ZAFUEZYPCZZFJH-ZHACJKMWSA-N 0 0 453.358 3.006 50 0 JGAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000012849935 195154260 /nfs/dbraw/zinc/15/42/60/195154260.db2.gz NDCUTBUJCDMGLP-KRWDZBQOSA-N 0 0 488.606 3.474 50 0 JGAARN COC(=O)c1sccc1S(=O)(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 ZINC000012851953 195154953 /nfs/dbraw/zinc/15/49/53/195154953.db2.gz RXUXCAMYKYMYTE-UHFFFAOYSA-N 0 0 453.538 3.039 50 0 JGAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1=O ZINC000012853054 195155837 /nfs/dbraw/zinc/15/58/37/195155837.db2.gz VQZFYUMLBQCVJF-SFHVURJKSA-N 0 0 471.579 3.252 50 0 JGAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(cc(F)cc3F)s2)CC1 ZINC000012854251 195156342 /nfs/dbraw/zinc/15/63/42/195156342.db2.gz SXBFJQXQZNHNFR-UHFFFAOYSA-N 0 0 456.496 3.219 50 0 JGAARN O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000012853584 195155989 /nfs/dbraw/zinc/15/59/89/195155989.db2.gz CLDIFWGXQAJHFG-UHFFFAOYSA-N 0 0 499.337 3.284 50 0 JGAARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O)OCCO3 ZINC000012856749 195158039 /nfs/dbraw/zinc/15/80/39/195158039.db2.gz LXECACCIJPWENZ-INIZCTEOSA-N 0 0 482.558 3.018 50 0 JGAARN CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(CSc2nc3nc(C)cc(C)n3n2)cc1 ZINC000012858959 195158872 /nfs/dbraw/zinc/15/88/72/195158872.db2.gz UCQFRILFXRBSMX-IBGZPJMESA-N 0 0 491.639 3.290 50 0 JGAARN COc1ccc2[nH]cc(CCNC(=O)CCCN3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)c2c1 ZINC000012899047 195176627 /nfs/dbraw/zinc/17/66/27/195176627.db2.gz XXMXYOBBCMXQOS-QHCPKHFHSA-N 0 0 460.534 3.005 50 0 biogenic JGAARN CCCCCN(C(=O)CCC(=O)OCc1cccc(F)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012867628 195162201 /nfs/dbraw/zinc/16/22/01/195162201.db2.gz KGCFYYZXYWDVJE-UHFFFAOYSA-N 0 0 476.549 3.105 50 0 JGAARN CCOc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1OCC ZINC000012869491 195162976 /nfs/dbraw/zinc/16/29/76/195162976.db2.gz JUBQRGNQFVDTRG-NRFANRHFSA-N 0 0 456.495 3.091 50 0 JGAARN C[C@@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012870399 195163169 /nfs/dbraw/zinc/16/31/69/195163169.db2.gz JIIQMVLXLLJGRL-CQSZACIVSA-N 0 0 477.410 3.196 50 0 JGAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4c(C)c(C)cc(C)c4C)CC3)cc12 ZINC000012871232 195163572 /nfs/dbraw/zinc/16/35/72/195163572.db2.gz GGNRYTXUSASELX-UHFFFAOYSA-N 0 0 460.625 3.324 50 0 JGAARN CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000012871509 195163814 /nfs/dbraw/zinc/16/38/14/195163814.db2.gz OGWYOKGEQOJENQ-HSZRJFAPSA-N 0 0 451.504 3.484 50 0 JGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3C[C@@H](C)O[C@H](C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012877027 195166564 /nfs/dbraw/zinc/16/65/64/195166564.db2.gz WTMHRKQOXGBBNU-ZOCZFRKYSA-N 0 0 482.577 3.477 50 0 biogenic JGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3C[C@@H](C)O[C@@H](C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000012877032 195166586 /nfs/dbraw/zinc/16/65/86/195166586.db2.gz WTMHRKQOXGBBNU-MRUHUIDDSA-N 0 0 482.577 3.477 50 0 biogenic JGAARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012877891 195167157 /nfs/dbraw/zinc/16/71/57/195167157.db2.gz SPILWWZLNKZQBA-GJZGRUSLSA-N 0 0 491.437 3.442 50 0 JGAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000012880750 195168370 /nfs/dbraw/zinc/16/83/70/195168370.db2.gz CUXDBYHCWYZZKM-NGOKVRLYSA-N 0 0 491.588 3.379 50 0 biogenic JGAARN O=C(NCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012881123 195168453 /nfs/dbraw/zinc/16/84/53/195168453.db2.gz CUGGTKHOKHQMIB-UHFFFAOYSA-N 0 0 484.496 3.194 50 0 JGAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000012887862 195171130 /nfs/dbraw/zinc/17/11/30/195171130.db2.gz IMBCMHLXBQMPBI-BQNIGPCOSA-N 0 0 456.546 3.201 50 0 biogenic JGAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012888316 195171588 /nfs/dbraw/zinc/17/15/88/195171588.db2.gz PDJITWWWVZFOCM-KRWDZBQOSA-N 0 0 470.975 3.467 50 0 JGAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC(C)C ZINC000012888602 195171655 /nfs/dbraw/zinc/17/16/55/195171655.db2.gz UNOKGHFJIOYDTD-QSXDINTFSA-N 0 0 475.655 3.497 50 0 biogenic JGAARN C[C@H](NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(S(N)(=O)=O)c1 ZINC000012888836 195171849 /nfs/dbraw/zinc/17/18/49/195171849.db2.gz UZKIOPYKEKPDFA-LBPRGKRZSA-N 0 0 468.457 3.213 50 0 JGAARN C[C@@H](NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(S(N)(=O)=O)c1 ZINC000012888831 195171851 /nfs/dbraw/zinc/17/18/51/195171851.db2.gz UZKIOPYKEKPDFA-GFCCVEGCSA-N 0 0 468.457 3.213 50 0 JGAARN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012893103 195174178 /nfs/dbraw/zinc/17/41/78/195174178.db2.gz ANCPPIISPBYHQH-INIZCTEOSA-N 0 0 479.549 3.110 50 0 JGAARN O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000012893931 195174461 /nfs/dbraw/zinc/17/44/61/195174461.db2.gz KSHQGOXPPPBMRJ-UHFFFAOYSA-N 0 0 473.602 3.209 50 0 JGAARN C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccccc1Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012894468 195174661 /nfs/dbraw/zinc/17/46/61/195174661.db2.gz DUUXCWILNBTAMT-GUYCJALGSA-N 0 0 472.929 3.135 50 0 JGAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc(OC)c(OC)c3oc1=O)CC2 ZINC000012901079 195177288 /nfs/dbraw/zinc/17/72/88/195177288.db2.gz OHWQXVXYLQPSEB-UHFFFAOYSA-N 0 0 453.491 3.263 50 0 biogenic JGAARN COc1cc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc(CN2C(=O)c3ccccc3C2=O)c1OC ZINC000012897593 195176141 /nfs/dbraw/zinc/17/61/41/195176141.db2.gz IBJBJZPTYGGYRU-INIZCTEOSA-N 0 0 494.544 3.494 50 0 JGAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CCCN4C(=O)c5ccccc5C4=O)s3)CC2=O)cc1 ZINC000012862927 195159982 /nfs/dbraw/zinc/15/99/82/195159982.db2.gz GIAKHZAFZYSZOT-INIZCTEOSA-N 0 0 489.557 3.382 50 0 JGAARN O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCCCC1)NCCc1ccccc1 ZINC000020643984 195194456 /nfs/dbraw/zinc/19/44/56/195194456.db2.gz KINNMIHKPCGEHL-UHFFFAOYSA-N 0 0 478.618 3.250 50 0 JGAARN Cc1cccc(-n2nc3c(c2NC(=O)/C=C\c2ccc4c(c2)OCO4)CS(=O)(=O)C3)c1C ZINC000020662376 195195862 /nfs/dbraw/zinc/19/58/62/195195862.db2.gz WTTYQTIFZZCZMQ-CLFYSBASSA-N 0 0 451.504 3.298 50 0 JGAARN COc1cc2c(c3oc(=O)c(CC(=O)NC[C@@H](O)COCc4ccco4)c(C)c13)CCC(C)(C)O2 ZINC000012901394 195177595 /nfs/dbraw/zinc/17/75/95/195177595.db2.gz PEJJRZOPOVQDMN-MRXNPFEDSA-N 0 0 485.533 3.043 50 0 biogenic JGAARN CCOc1ccc(NC(=O)CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1OCC ZINC000012901459 195177609 /nfs/dbraw/zinc/17/76/09/195177609.db2.gz PTLOORPLQGBGLB-UHFFFAOYSA-N 0 0 466.538 3.140 50 0 JGAARN COc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc(Cl)c1OCC(N)=O ZINC000012901312 195177646 /nfs/dbraw/zinc/17/76/46/195177646.db2.gz YGXQNJOVRTWWRO-UHFFFAOYSA-N 0 0 486.952 3.452 50 0 JGAARN CC(C)c1nnc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1Cc1ccco1 ZINC000012902173 195177766 /nfs/dbraw/zinc/17/77/66/195177766.db2.gz VIQNTGSUJYXOGW-UHFFFAOYSA-N 0 0 469.611 3.284 50 0 JGAARN O=c1c2ccc(Cl)cc2nc(SCc2nnnn2-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000012903099 195178354 /nfs/dbraw/zinc/17/83/54/195178354.db2.gz RJXMZKUILREIPA-INIZCTEOSA-N 0 0 454.943 3.497 50 0 JGAARN COC(=O)C1=C(COC(=O)CSc2nc(C)cc(C)n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012904095 195178727 /nfs/dbraw/zinc/17/87/27/195178727.db2.gz OPRVXWZMRAXJJW-OAQYLSRUSA-N 0 0 482.562 3.085 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012904966 195179064 /nfs/dbraw/zinc/17/90/64/195179064.db2.gz GBIIZXFFQOOFJK-UHFFFAOYSA-N 0 0 466.559 3.236 50 0 JGAARN CCOC(=O)C1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)CC1 ZINC000012905997 195179895 /nfs/dbraw/zinc/17/98/95/195179895.db2.gz YXQXPOPIGCGVCL-UHFFFAOYSA-N 0 0 464.518 3.297 50 0 JGAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000012906543 195180065 /nfs/dbraw/zinc/18/00/65/195180065.db2.gz 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COc1cc(CN(C(=S)NCC(=O)NCCC(C)C)C2CCCC2)cc(OC)c1OC ZINC000020679773 195203325 /nfs/dbraw/zinc/20/33/25/195203325.db2.gz ZZCPAKJTIRFGQH-UHFFFAOYSA-N 0 0 451.633 3.494 50 0 JGAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c2c1 ZINC000020719067 195206293 /nfs/dbraw/zinc/20/62/93/195206293.db2.gz YTYIXPFFHOPELC-JOCHJYFZSA-N 0 0 469.538 3.146 50 0 JGAARN CCOc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)cc1OCC ZINC000020724151 195207030 /nfs/dbraw/zinc/20/70/30/195207030.db2.gz YMZHOCNXCIEHQX-VWLOTQADSA-N 0 0 485.606 3.159 50 0 JGAARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCCN1CCCC1=O ZINC000020726105 195207276 /nfs/dbraw/zinc/20/72/76/195207276.db2.gz GNYNPTYRFZLLAD-RCCKNPSSSA-N 0 0 498.377 3.344 50 0 JGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC000020728439 195208914 /nfs/dbraw/zinc/20/89/14/195208914.db2.gz CVCNBTXJWJHBGP-RDJZCZTQSA-N 0 0 467.389 3.124 50 0 JGAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020729330 195209126 /nfs/dbraw/zinc/20/91/26/195209126.db2.gz AJQZRANDNAHFTD-UHFFFAOYSA-N 0 0 480.359 3.076 50 0 JGAARN COc1cc(OC)cc(-n2nc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)c1 ZINC000020804651 195228407 /nfs/dbraw/zinc/22/84/07/195228407.db2.gz BUJPGJNUYRFSLC-UHFFFAOYSA-N 0 0 484.556 3.361 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020848217 195230273 /nfs/dbraw/zinc/23/02/73/195230273.db2.gz VGLUURYLVZFWET-UHFFFAOYSA-N 0 0 465.000 3.166 50 0 JGAARN Cc1ccc(S(=O)(=O)CC(=O)N(CCN2CCOCC2)c2nc3c(cccc3C)s2)cc1 ZINC000020742638 195214522 /nfs/dbraw/zinc/21/45/22/195214522.db2.gz VIPREKIMCVFLJL-UHFFFAOYSA-N 0 0 473.620 3.052 50 0 JGAARN CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000020743118 195214524 /nfs/dbraw/zinc/21/45/24/195214524.db2.gz SHOKWPQLBLNUFD-UHFFFAOYSA-N 0 0 492.601 3.491 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n([C@H](C)CCc2ccccc2)c1=O ZINC000020758018 195216806 /nfs/dbraw/zinc/21/68/06/195216806.db2.gz GTPZVCBYYMPSOY-CMJOXMDJSA-N 0 0 460.534 3.161 50 0 biogenic JGAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C)C(=O)N1CCOCC1 ZINC000020759134 195217386 /nfs/dbraw/zinc/21/73/86/195217386.db2.gz YJPJQJZFCXTAJN-MRXNPFEDSA-N 0 0 460.991 3.228 50 0 JGAARN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4ccc(=O)[nH]n4)s3)C2)c(C)c1 ZINC000020762449 195218518 /nfs/dbraw/zinc/21/85/18/195218518.db2.gz BAOFDRLMCFUKBG-QGZVFWFLSA-N 0 0 486.619 3.463 50 0 JGAARN CCOC(=O)C1CCN(C(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000020766071 195221456 /nfs/dbraw/zinc/22/14/56/195221456.db2.gz BVIHAPWUVHBVEI-QHCPKHFHSA-N 0 0 488.606 3.215 50 0 JGAARN COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000020768863 195223436 /nfs/dbraw/zinc/22/34/36/195223436.db2.gz KKYUZQJUOMEYPM-UHFFFAOYSA-N 0 0 484.556 3.361 50 0 JGAARN O=C(NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000020774293 195223807 /nfs/dbraw/zinc/22/38/07/195223807.db2.gz CXBLDDJTDXHREP-QPPBQGQZSA-N 0 0 476.602 3.244 50 0 JGAARN COc1cc(Cl)c(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1OC ZINC000020777063 195224224 /nfs/dbraw/zinc/22/42/24/195224224.db2.gz KZMLKWQSSMHYIX-UHFFFAOYSA-N 0 0 473.961 3.147 50 0 JGAARN COc1cccc(CC(=O)N2CCOc3ccc(CN4CCN(Cc5ccccn5)CC4)cc3C2)c1 ZINC000020781789 195225072 /nfs/dbraw/zinc/22/50/72/195225072.db2.gz XQVITSBUDTZQSB-UHFFFAOYSA-N 0 0 486.616 3.372 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)o2)c1 ZINC000020787968 195225339 /nfs/dbraw/zinc/22/53/39/195225339.db2.gz AONUTTDQAAWBOA-HOTGVXAUSA-N 0 0 466.629 3.364 50 0 JGAARN O=C(c1ccccc1)[C@@H](CC[C@@H](CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1 ZINC000020791121 195225385 /nfs/dbraw/zinc/22/53/85/195225385.db2.gz CVOBZFLICCGWKJ-UIOOFZCWSA-N 0 0 464.606 3.429 50 0 JGAARN COC(=O)c1sc2nc(CN3CCN(C(C)=O)CC3)ccc2c1NC(=O)C1CCCCC1 ZINC000020785586 195225501 /nfs/dbraw/zinc/22/55/01/195225501.db2.gz IMGQXQWVLJKZCM-UHFFFAOYSA-N 0 0 458.584 3.266 50 0 JGAARN CCOc1cc([C@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000020895798 195239542 /nfs/dbraw/zinc/23/95/42/195239542.db2.gz XEEIXKFDKKEOQC-HXUWFJFHSA-N 0 0 457.508 3.314 50 0 JGAARN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898478 195240332 /nfs/dbraw/zinc/24/03/32/195240332.db2.gz UKYARHZDIQXHQO-UHFFFAOYSA-N 0 0 457.596 3.349 50 0 JGAARN CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898420 195240345 /nfs/dbraw/zinc/24/03/45/195240345.db2.gz DSOCMPXUPMBCDW-UHFFFAOYSA-N 0 0 457.596 3.253 50 0 JGAARN C=C1C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000020901057 195241511 /nfs/dbraw/zinc/24/15/11/195241511.db2.gz DCYDXNUXCHEMFF-UHFFFAOYSA-N 0 0 459.955 3.359 50 0 JGAARN CCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)C(C)C)cc1 ZINC000020922629 195248339 /nfs/dbraw/zinc/24/83/39/195248339.db2.gz WMEOPBDHGWCOIO-MWTRTKDXSA-N 0 0 473.595 3.324 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCc1ccc(C)cc1 ZINC000020860479 195233233 /nfs/dbraw/zinc/23/32/33/195233233.db2.gz RIXAMNKPLMEGCK-XMMPIXPASA-N 0 0 469.607 3.154 50 0 JGAARN CCc1nn(CCCC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862350 195233557 /nfs/dbraw/zinc/23/35/57/195233557.db2.gz XXPDJPVWIBZGKO-UHFFFAOYSA-N 0 0 466.538 3.269 50 0 JGAARN CCc1nn([C@@H](CC)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862056 195233667 /nfs/dbraw/zinc/23/36/67/195233667.db2.gz NXQXLOAVUITAIK-KRWDZBQOSA-N 0 0 466.538 3.440 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCCC2)cc1F ZINC000020864042 195233907 /nfs/dbraw/zinc/23/39/07/195233907.db2.gz APCIDSLRBDKIOV-RUZDIDTESA-N 0 0 487.597 3.379 50 0 JGAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 ZINC000020864088 195233948 /nfs/dbraw/zinc/23/39/48/195233948.db2.gz ZNNBXKSOIFXLPT-KRWDZBQOSA-N 0 0 473.595 3.284 50 0 JGAARN COc1ccc(Br)cc1CNC(=O)CCCn1nc(C)n2c3ccoc3cc2c1=O ZINC000020863372 195234017 /nfs/dbraw/zinc/23/40/17/195234017.db2.gz 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COc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000009127357 524666961 /nfs/dbraw/zinc/66/69/61/524666961.db2.gz IDUFLRBNWOIPKN-UHFFFAOYSA-N 0 0 454.548 3.150 50 0 JGAARN COc1ccc(NC[C@H](O)COc2ccc(OC[C@@H](O)CNc3ccc(OC)cc3)cc2)cc1 ZINC000004420565 524678552 /nfs/dbraw/zinc/67/85/52/524678552.db2.gz OOKCWSZTQMGGTK-VXKWHMMOSA-N 0 0 468.550 3.407 50 0 JGAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000042379391 524714380 /nfs/dbraw/zinc/71/43/80/524714380.db2.gz UWVCEBVCEHWYIK-UHFFFAOYSA-N 0 0 453.568 3.189 50 0 JGAARN C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCN(Cc5ccccc5)CC4)[nH]c(=O)c32)C1 ZINC000021882441 524725874 /nfs/dbraw/zinc/72/58/74/524725874.db2.gz KPZHQOUEIZKODI-QGZVFWFLSA-N 0 0 450.608 3.386 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000065152217 524734602 /nfs/dbraw/zinc/73/46/02/524734602.db2.gz JTNBCWRIZPUBIQ-OXJNMPFZSA-N 0 0 494.061 3.201 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 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526762786 /nfs/dbraw/zinc/76/27/86/526762786.db2.gz MFRUDRVKKDKIMU-UHFFFAOYSA-N 0 0 463.376 3.132 50 0 JGAARN O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1)N1CCCCCC1 ZINC000035325704 526765510 /nfs/dbraw/zinc/76/55/10/526765510.db2.gz HALTUHLDTBDGSV-UHFFFAOYSA-N 0 0 496.677 3.412 50 0 JGAARN Cc1nc(C2(NC(=O)CCCN3C(=O)c4ccc(Br)cc4C3=O)CCCCC2)no1 ZINC000023508211 526766676 /nfs/dbraw/zinc/76/66/76/526766676.db2.gz DFAAPAYKRXRHDV-UHFFFAOYSA-N 0 0 475.343 3.493 50 0 JGAARN O=C(NCc1cccnc1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255612 526767311 /nfs/dbraw/zinc/76/73/11/526767311.db2.gz IKADGMKLFYLHKI-JOCHJYFZSA-N 0 0 493.633 3.337 50 0 JGAARN O=C(c1cccc(I)c1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000016689883 526768331 /nfs/dbraw/zinc/76/83/31/526768331.db2.gz KPEKOQRMODHRFO-UHFFFAOYSA-N 0 0 477.350 3.034 50 0 JGAARN O=C(CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1 ZINC000022800014 526769128 /nfs/dbraw/zinc/76/91/28/526769128.db2.gz BTZAUXAUGGQWOZ-OAQYLSRUSA-N 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COC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000628989 553716521 /nfs/dbraw/zinc/71/65/21/553716521.db2.gz NABNXKGLTLQSHU-WPEPJHBLSA-N 0 0 488.565 3.233 50 0 JGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)cc1 ZINC000000630870 553717731 /nfs/dbraw/zinc/71/77/31/553717731.db2.gz GJFGGLWNRGOCQM-SQWSFHKJSA-N 0 0 454.573 3.257 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3O)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000000636525 553721361 /nfs/dbraw/zinc/72/13/61/553721361.db2.gz FPXGERNKPSQTIR-MFUBYVTQSA-N 0 0 486.549 3.363 50 0 JGAARN Cc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(C)(=O)=O)c(C)c1 ZINC000000653173 553733945 /nfs/dbraw/zinc/73/39/45/553733945.db2.gz WTTMESTWIXVPLG-UHFFFAOYSA-N 0 0 458.321 3.313 50 0 JGAARN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000667489 553743328 /nfs/dbraw/zinc/74/33/28/553743328.db2.gz HRTYULAPPDMFOG-UHFFFAOYSA-N 0 0 499.040 3.322 50 0 JGAARN COC(=O)/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC)o1)NC(=O)c1ccccc1 ZINC000000667909 553743636 /nfs/dbraw/zinc/74/36/36/553743636.db2.gz SNQQWEXFPDTXNN-KBNZVFGVSA-N 0 0 474.469 3.167 50 0 JGAARN O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000675556 553749615 /nfs/dbraw/zinc/74/96/15/553749615.db2.gz ZQCSWQHPJZBWQA-UHFFFAOYSA-N 0 0 453.973 3.017 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000000680314 553753212 /nfs/dbraw/zinc/75/32/12/553753212.db2.gz YSZPWIVASDXVDK-CNSVBDKNSA-N 0 0 466.584 3.226 50 0 JGAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c1 ZINC000000687452 553757388 /nfs/dbraw/zinc/75/73/88/553757388.db2.gz XRYUWMQTFHPYKB-UHFFFAOYSA-N 0 0 487.969 3.306 50 0 JGAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1 ZINC000000687439 553757392 /nfs/dbraw/zinc/75/73/92/553757392.db2.gz ZKNSSTASJIYBMS-UHFFFAOYSA-N 0 0 475.368 3.491 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000707515 553764387 /nfs/dbraw/zinc/76/43/87/553764387.db2.gz HNTLASMDVDSBKJ-JAORQVBISA-N 0 0 484.961 3.166 50 0 JGAARN CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)N(NC(=O)c2ccc(Br)cc2)C1=S ZINC000000720870 553772484 /nfs/dbraw/zinc/77/24/84/553772484.db2.gz PKVVPJLAZYETNF-OAHLLOKOSA-N 0 0 495.786 3.204 50 0 JGAARN Cc1ccc(-n2nnnc2-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2=O)cc1 ZINC000000721467 553772987 /nfs/dbraw/zinc/77/29/87/553772987.db2.gz BWTHAVLDJRXVRR-UHFFFAOYSA-N 0 0 457.515 3.498 50 0 JGAARN C[C@@H](C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000000728086 553774821 /nfs/dbraw/zinc/77/48/21/553774821.db2.gz VXFDRYFUHAGZPN-GJZGRUSLSA-N 0 0 481.574 3.159 50 0 JGAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)N1CCN(c3ccccc3)CC1)CCS2 ZINC000000755458 553777812 /nfs/dbraw/zinc/77/78/12/553777812.db2.gz KPFTZBOBJRMHTM-UHFFFAOYSA-N 0 0 494.642 3.330 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000000759398 553778232 /nfs/dbraw/zinc/77/82/32/553778232.db2.gz WPVUJHCNRJPVHH-SQWSFHKJSA-N 0 0 454.935 3.157 50 0 JGAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000000785322 553780708 /nfs/dbraw/zinc/78/07/08/553780708.db2.gz HLUVIKAIEKRHKU-GOSISDBHSA-N 0 0 474.579 3.435 50 0 JGAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000785719 553781006 /nfs/dbraw/zinc/78/10/06/553781006.db2.gz SEGMLUZBTMYLKV-UHFFFAOYSA-N 0 0 474.579 3.001 50 0 JGAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000000785723 553781047 /nfs/dbraw/zinc/78/10/47/553781047.db2.gz UZPACQQHVWMUEP-UHFFFAOYSA-N 0 0 494.997 3.346 50 0 JGAARN COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000821216 553786441 /nfs/dbraw/zinc/78/64/41/553786441.db2.gz URJLRMOZBTYSCQ-UHFFFAOYSA-N 0 0 483.546 3.496 50 0 JGAARN O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000826786 553788677 /nfs/dbraw/zinc/78/86/77/553788677.db2.gz 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COc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000983170 553892077 /nfs/dbraw/zinc/89/20/77/553892077.db2.gz DACQUSGODCZAHV-UHFFFAOYSA-N 0 0 486.521 3.117 50 0 JGAARN CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Br)cc2)c2ccccc21 ZINC000000984975 553892846 /nfs/dbraw/zinc/89/28/46/553892846.db2.gz NVQXNQFMIQCQJV-QGZVFWFLSA-N 0 0 492.329 3.401 50 0 JGAARN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000000986028 553893238 /nfs/dbraw/zinc/89/32/38/553893238.db2.gz QJWHFNQZBOSUCM-INIZCTEOSA-N 0 0 466.346 3.497 50 0 JGAARN CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000000993300 553896344 /nfs/dbraw/zinc/89/63/44/553896344.db2.gz RFZNTLSYOOTCJW-INIZCTEOSA-N 0 0 474.307 3.405 50 0 JGAARN COC(=O)C1=C2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@]2(c2ccc(Cl)cc2)NN1 ZINC000001014496 553899715 /nfs/dbraw/zinc/89/97/15/553899715.db2.gz NAAWNBVWVPUHCB-IFXJQAMLSA-N 0 0 452.681 3.164 50 0 JGAARN COc1ccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000001171496 553922928 /nfs/dbraw/zinc/92/29/28/553922928.db2.gz BBIZIXKCMWQADC-UHFFFAOYSA-N 0 0 450.866 3.450 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002056066 554013825 /nfs/dbraw/zinc/01/38/25/554013825.db2.gz BJUOAZQVZOINHP-WLJFKGHSSA-N 0 0 496.972 3.377 50 0 JGAARN O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002093601 554037336 /nfs/dbraw/zinc/03/73/36/554037336.db2.gz HGDVFAXCFUISMF-QTEQDKRBSA-N 0 0 474.536 3.366 50 0 biogenic JGAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)c1 ZINC000002098919 554041823 /nfs/dbraw/zinc/04/18/23/554041823.db2.gz ZWKUZQRRQSFVOC-RCCKNPSSSA-N 0 0 451.548 3.389 50 0 JGAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCOC)CC(=O)N32)cc1OC ZINC000002117669 554053940 /nfs/dbraw/zinc/05/39/40/554053940.db2.gz SNXSQPOQZIZRPL-LVXARBLLSA-N 0 0 477.561 3.297 50 0 biogenic JGAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCOC)CC(=O)N23)cc1OC ZINC000002117672 554053956 /nfs/dbraw/zinc/05/39/56/554053956.db2.gz SNXSQPOQZIZRPL-HFZDXXHNSA-N 0 0 477.561 3.297 50 0 biogenic JGAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000002125415 554057963 /nfs/dbraw/zinc/05/79/63/554057963.db2.gz OLLDCLFDLZHGPH-SIKLNZKXSA-N 0 0 456.520 3.097 50 0 JGAARN CCOc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002142330 554064444 /nfs/dbraw/zinc/06/44/44/554064444.db2.gz WXNXZFDQTPANDP-UHFFFAOYSA-N 0 0 489.287 3.229 50 0 JGAARN CCCS(=O)(=O)c1csc(C(=O)OC)c1NNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000002148188 554067615 /nfs/dbraw/zinc/06/76/15/554067615.db2.gz RMMBWXRGDSNDPA-UHFFFAOYSA-N 0 0 486.515 3.043 50 0 JGAARN COCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000002179561 554078818 /nfs/dbraw/zinc/07/88/18/554078818.db2.gz NMEYVNVVDTTYCE-UHFFFAOYSA-N 0 0 481.574 3.449 50 0 JGAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000002181707 554080656 /nfs/dbraw/zinc/08/06/56/554080656.db2.gz SRNWHQOFQLTSIX-KRWDZBQOSA-N 0 0 465.369 3.483 50 0 JGAARN COc1ccccc1NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc21 ZINC000002229717 554104764 /nfs/dbraw/zinc/10/47/64/554104764.db2.gz QMLZTMAINBOKLH-UHFFFAOYSA-N 0 0 488.529 3.064 50 0 JGAARN CC(C)CCOC(=O)c1c(N)n(CCc2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 ZINC000002246385 554111676 /nfs/dbraw/zinc/11/16/76/554111676.db2.gz YLTLGZKBAVIIEO-UHFFFAOYSA-N 0 0 481.578 3.260 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002276304 554129191 /nfs/dbraw/zinc/12/91/91/554129191.db2.gz GNSACJDFUHTBNJ-CNSVBDKNSA-N 0 0 498.988 3.469 50 0 JGAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)c1cccs1 ZINC000002303660 554140754 /nfs/dbraw/zinc/14/07/54/554140754.db2.gz LRKZMLKRJWORFW-UHFFFAOYSA-N 0 0 477.571 3.491 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1OC ZINC000002315640 554145367 /nfs/dbraw/zinc/14/53/67/554145367.db2.gz AODVZBVELBYJCO-FNGUVFISSA-N 0 0 468.962 3.460 50 0 JGAARN Cn1cnnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC(C)(C)C)sc2c1 ZINC000002345822 554158951 /nfs/dbraw/zinc/15/89/51/554158951.db2.gz YKHKYFAHWNHVLL-UHFFFAOYSA-N 0 0 450.615 3.162 50 0 JGAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000002351848 554161891 /nfs/dbraw/zinc/16/18/91/554161891.db2.gz AZRKVCGPJXKVTI-QGZVFWFLSA-N 0 0 450.539 3.421 50 0 JGAARN COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc(Br)c1O ZINC000002352514 554162199 /nfs/dbraw/zinc/16/21/99/554162199.db2.gz SKMCCTLVJIGTJR-KRWDZBQOSA-N 0 0 474.307 3.424 50 0 JGAARN COCCOC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 ZINC000002357614 554164595 /nfs/dbraw/zinc/16/45/95/554164595.db2.gz BAOVRTLMWZRGTG-UHFFFAOYSA-N 0 0 450.495 3.230 50 0 JGAARN O=c1/c(=C2\c3ccccc3N(Cc3ccccc3)C2=O)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002393795 554180659 /nfs/dbraw/zinc/18/06/59/554180659.db2.gz UUIHQZGRBVYPJP-MRCUWXFGSA-N 0 0 454.486 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CCC[C@H](NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 ZINC000010094660 555617673 /nfs/dbraw/zinc/61/76/73/555617673.db2.gz IOZLTCBWHVXUQF-PXNSSMCTSA-N 0 0 463.625 3.241 50 0 JGAARN COCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1 ZINC000013809772 555624488 /nfs/dbraw/zinc/62/44/88/555624488.db2.gz NGQYBSVDLXCYPY-FCQUAONHSA-N 0 0 459.593 3.116 50 0 JGAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NCCCN3CCOCC3)n2)CC(C)(C)OC4)n1 ZINC000013811217 555627451 /nfs/dbraw/zinc/62/74/51/555627451.db2.gz QODSHBZYOYTGCX-UHFFFAOYSA-N 0 0 456.616 3.479 50 0 JGAARN CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 ZINC000013843085 555632358 /nfs/dbraw/zinc/63/23/58/555632358.db2.gz OPEFHEBAVXGIRD-UHFFFAOYSA-N 0 0 451.932 3.100 50 0 JGAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000013846577 555634006 /nfs/dbraw/zinc/63/40/06/555634006.db2.gz JWMALSJJWMVUTC-UHFFFAOYSA-N 0 0 458.467 3.415 50 0 JGAARN CCOC(=O)C1=C(N)Oc2cc(C)n(CCOC)c(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000010166051 555638859 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/nfs/dbraw/zinc/15/49/94/195154994.db2.gz FZSUCCAEFCYVEU-IBGZPJMESA-N 0 0 464.628 3.332 50 0 JGAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)c(=O)c12 ZINC000012853217 195155742 /nfs/dbraw/zinc/15/57/42/195155742.db2.gz CKNGWHQAHPBLTN-SFHVURJKSA-N 0 0 497.598 3.242 50 0 JGAARN COc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C ZINC000012854675 195156691 /nfs/dbraw/zinc/15/66/91/195156691.db2.gz WWIQSKPTDPZLEI-UHFFFAOYSA-N 0 0 461.584 3.002 50 0 JGAARN Cc1cc(-c2ccccc2)nc(SCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000012854668 195156713 /nfs/dbraw/zinc/15/67/13/195156713.db2.gz NXUQLEPROIAFOU-GOSISDBHSA-N 0 0 457.577 3.353 50 0 JGAARN CCCCN(C(=O)CCOc1ccc(OCC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012856066 195157597 /nfs/dbraw/zinc/15/75/97/195157597.db2.gz RAJLJLMMDKEVBV-UHFFFAOYSA-N 0 0 480.565 3.168 50 0 JGAARN CCN(CC)[C@@H](CNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1Cl ZINC000012856636 195158045 /nfs/dbraw/zinc/15/80/45/195158045.db2.gz CGYLVCMXDWIPBH-FQEVSTJZSA-N 0 0 482.986 3.275 50 0 JGAARN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012870332 195163166 /nfs/dbraw/zinc/16/31/66/195163166.db2.gz NKNAVNOSCHHNSF-UHFFFAOYSA-N 0 0 451.523 3.469 50 0 JGAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(Cl)cc1Cl ZINC000012870750 195163407 /nfs/dbraw/zinc/16/34/07/195163407.db2.gz MUSPWNHRTXQCHZ-UHFFFAOYSA-N 0 0 468.406 3.427 50 0 JGAARN COc1ccccc1[C@H]1CN2C(=O)CN(CCCCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012876423 195166408 /nfs/dbraw/zinc/16/64/08/195166408.db2.gz RFIBMCBLOSJBRJ-HRFSGMKKSA-N 0 0 461.562 3.371 50 0 biogenic JGAARN Cc1ccc(S(=O)(=O)NCCC(=O)NCCSc2ccc(Br)cc2)cc1 ZINC000012877458 195166883 /nfs/dbraw/zinc/16/68/83/195166883.db2.gz LIXIZHYCTFFJPO-UHFFFAOYSA-N 0 0 457.415 3.334 50 0 JGAARN CCOc1ccc(NC(=O)CN(C)C(=O)CCCn2c3ccccc3oc2=O)cc1OCC ZINC000012881222 195168709 /nfs/dbraw/zinc/16/87/09/195168709.db2.gz OWCGKSNPOWFDGZ-UHFFFAOYSA-N 0 0 455.511 3.269 50 0 JGAARN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000012881685 195168978 /nfs/dbraw/zinc/16/89/78/195168978.db2.gz UWMYAXAZQKZYFI-YOEHRIQHSA-N 0 0 492.867 3.104 50 0 JGAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012883424 195169677 /nfs/dbraw/zinc/16/96/77/195169677.db2.gz QJJUQWYXLSSYHT-UHFFFAOYSA-N 0 0 466.497 3.419 50 0 JGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1C ZINC000012883468 195169685 /nfs/dbraw/zinc/16/96/85/195169685.db2.gz VEUBPQTVFFJMAC-FQEVSTJZSA-N 0 0 450.004 3.107 50 0 JGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C ZINC000012886241 195170488 /nfs/dbraw/zinc/17/04/88/195170488.db2.gz UKXGKXNTGVYTJP-UHFFFAOYSA-N 0 0 493.670 3.400 50 0 JGAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1 ZINC000012888007 195171360 /nfs/dbraw/zinc/17/13/60/195171360.db2.gz CVBACQYGCXUIMW-CIHKJSBTSA-N 0 0 478.552 3.459 50 0 biogenic JGAARN CCN(Cc1cccc(F)c1)C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 ZINC000012888608 195171606 /nfs/dbraw/zinc/17/16/06/195171606.db2.gz IJKQFHAVOYUEBK-UHFFFAOYSA-N 0 0 469.586 3.443 50 0 JGAARN C[C@@H]1CN(S(=O)(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000012890995 195172866 /nfs/dbraw/zinc/17/28/66/195172866.db2.gz SVEHJIGYNRTYQQ-QZTJIDSGSA-N 0 0 465.566 3.026 50 0 JGAARN C[C@H]1CN(S(=O)(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000012891014 195173015 /nfs/dbraw/zinc/17/30/15/195173015.db2.gz SVEHJIGYNRTYQQ-ROUUACIJSA-N 0 0 465.566 3.026 50 0 JGAARN CSCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nnc2ccccn21 ZINC000012892664 195173836 /nfs/dbraw/zinc/17/38/36/195173836.db2.gz MBWSDVQRALNTJM-SFHVURJKSA-N 0 0 491.614 3.267 50 0 JGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccnc2-n2cncn2)c1 ZINC000012894242 195174654 /nfs/dbraw/zinc/17/46/54/195174654.db2.gz IMWPZHFKANNBCF-UHFFFAOYSA-N 0 0 478.534 3.138 50 0 JGAARN O=C(Cc1sc(N2CCCC2)nc1O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012896383 195175300 /nfs/dbraw/zinc/17/53/00/195175300.db2.gz BMXZZYQFRYWASP-LJQANCHMSA-N 0 0 466.519 3.090 50 0 JGAARN COc1ccc(OC)c(CN2CCN(C(=O)COc3ccc(F)cc3Br)CC2)c1 ZINC000012896370 195175328 /nfs/dbraw/zinc/17/53/28/195175328.db2.gz HZSHDNHZOSDTQI-UHFFFAOYSA-N 0 0 467.335 3.329 50 0 JGAARN COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000012896790 195175518 /nfs/dbraw/zinc/17/55/18/195175518.db2.gz ICJXXTXWCIQBIP-UHFFFAOYSA-N 0 0 493.629 3.474 50 0 JGAARN CC(C)(C)c1nc(CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)no1 ZINC000012898280 195176283 /nfs/dbraw/zinc/17/62/83/195176283.db2.gz FKZMSLYKQDUVBS-UHFFFAOYSA-N 0 0 499.618 3.259 50 0 JGAARN COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](CO)Cc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000012898602 195176396 /nfs/dbraw/zinc/17/63/96/195176396.db2.gz GZANGIGMQKUZJR-GOSISDBHSA-N 0 0 465.546 3.476 50 0 biogenic JGAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012904978 195179002 /nfs/dbraw/zinc/17/90/02/195179002.db2.gz USNCCZIMHMWQNY-UHFFFAOYSA-N 0 0 453.564 3.226 50 0 JGAARN CCc1ccc(-c2noc(CCC(=O)N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)n2)cc1 ZINC000012905300 195179317 /nfs/dbraw/zinc/17/93/17/195179317.db2.gz IZIDJYFQBYXPAJ-UHFFFAOYSA-N 0 0 482.606 3.382 50 0 JGAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000012905423 195179335 /nfs/dbraw/zinc/17/93/35/195179335.db2.gz AFFWCPGEKKYPFD-HXUWFJFHSA-N 0 0 481.361 3.048 50 0 JGAARN CCOC(=O)c1cnn2c1N(S(=O)(=O)c1ccc(OC)cc1)[C@H](C1CC1)C[C@@H]2C(F)F ZINC000020608184 195181770 /nfs/dbraw/zinc/18/17/70/195181770.db2.gz QHPTWNANSQMJRN-DLBZAZTESA-N 0 0 455.483 3.252 50 0 JGAARN CCOC(=O)c1cnn2c1N(S(=O)(=O)c1ccc(OC)cc1)[C@H](C1CC1)C[C@H]2C(F)F ZINC000020608186 195181808 /nfs/dbraw/zinc/18/18/08/195181808.db2.gz QHPTWNANSQMJRN-IRXDYDNUSA-N 0 0 455.483 3.252 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 ZINC000020616330 195188117 /nfs/dbraw/zinc/18/81/17/195188117.db2.gz 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0 JGAARN COc1ccc(CCNC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC ZINC000020722848 195206697 /nfs/dbraw/zinc/20/66/97/195206697.db2.gz NUEZCGKYZZXXHT-UHFFFAOYSA-N 0 0 453.514 3.348 50 0 JGAARN COc1ccc(CN2CC[NH+]([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000020725740 195207220 /nfs/dbraw/zinc/20/72/20/195207220.db2.gz CMKLEQBYRFEDJJ-JOCHJYFZSA-N 0 0 453.539 3.446 50 0 JGAARN COC(CNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)OC ZINC000020727384 195208150 /nfs/dbraw/zinc/20/81/50/195208150.db2.gz GSKPTRPXXIPEIV-UHFFFAOYSA-N 0 0 498.605 3.066 50 0 JGAARN COc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)C1CCN(C(C)=O)CC1 ZINC000020728492 195209025 /nfs/dbraw/zinc/20/90/25/195209025.db2.gz ZVKDBFCIRHMGLP-UHFFFAOYSA-N 0 0 469.051 3.081 50 0 JGAARN COc1ccc(C2=NN(CCC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)C(=O)CC2)cc1 ZINC000020734025 195211798 /nfs/dbraw/zinc/21/17/98/195211798.db2.gz NTCFOXVTNXKQGA-UHFFFAOYSA-N 0 0 498.027 3.004 50 0 JGAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NCC(F)(F)F ZINC000020818995 195229389 /nfs/dbraw/zinc/22/93/89/195229389.db2.gz RHQBJPKVABRJBR-UHFFFAOYSA-N 0 0 451.474 3.031 50 0 JGAARN O=C(CCS(=O)(=O)c1cccc2nsnc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020848253 195230279 /nfs/dbraw/zinc/23/02/79/195230279.db2.gz OZRSCVYZZLJTKE-UHFFFAOYSA-N 0 0 484.525 3.223 50 0 JGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000020849066 195230635 /nfs/dbraw/zinc/23/06/35/195230635.db2.gz MFNFLXIXFRVGEI-KRWDZBQOSA-N 0 0 470.956 3.055 50 0 JGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F ZINC000020745142 195214851 /nfs/dbraw/zinc/21/48/51/195214851.db2.gz VIGUUJUOLFZSDR-DOTOQJQBSA-N 0 0 485.379 3.263 50 0 JGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCN(CCc5ccncc5)CC4)c12)OC(C)(C)CC3 ZINC000020759268 195217327 /nfs/dbraw/zinc/21/73/27/195217327.db2.gz HSRBPSFJJLEVMW-UHFFFAOYSA-N 0 0 491.588 3.366 50 0 biogenic JGAARN COc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020766384 195221596 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524721025 /nfs/dbraw/zinc/72/10/25/524721025.db2.gz GQOMSIZYGBJWTA-UHFFFAOYSA-N 0 0 487.603 3.465 50 0 JGAARN Cc1cccc(OCC(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)c1 ZINC000016047848 524724184 /nfs/dbraw/zinc/72/41/84/524724184.db2.gz XUPHNFJWGZKRLC-UHFFFAOYSA-N 0 0 473.532 3.425 50 0 JGAARN Cc1cccc(OCCCNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000024488895 524734877 /nfs/dbraw/zinc/73/48/77/524734877.db2.gz SBILFWDWSNSJHN-IBGZPJMESA-N 0 0 466.987 3.305 50 0 JGAARN C[C@H](Cc1ccco1)NC(=O)Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000033068585 524744800 /nfs/dbraw/zinc/74/48/00/524744800.db2.gz FNFIUMGBANOPGX-MRXNPFEDSA-N 0 0 451.910 3.205 50 0 JGAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000035449118 524755693 /nfs/dbraw/zinc/75/56/93/524755693.db2.gz IZEPPCHTRFQJID-QGZVFWFLSA-N 0 0 463.943 3.080 50 0 JGAARN COc1ccccc1[C@@H]1CN2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789257 524761071 /nfs/dbraw/zinc/76/10/71/524761071.db2.gz 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50 0 JGAARN Cc1ccc(F)c(NC(=O)CSc2nnc(CN(c3ccc(F)cc3)S(C)(=O)=O)n2C)c1 ZINC000020416492 524817790 /nfs/dbraw/zinc/81/77/90/524817790.db2.gz DKEZUPXTAWFHLO-UHFFFAOYSA-N 0 0 481.550 3.099 50 0 JGAARN COc1ccc(OC)c(CCNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 ZINC000008593832 524818223 /nfs/dbraw/zinc/81/82/23/524818223.db2.gz FTEWRCQVBINUDF-UHFFFAOYSA-N 0 0 485.606 3.192 50 0 JGAARN COc1ccccc1[C@]1(CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)CC(=O)N(C2CCCC2)C1=O ZINC000012203708 524820790 /nfs/dbraw/zinc/82/07/90/524820790.db2.gz UJHILVABOQTKRV-KMRXNPHXSA-N 0 0 476.573 3.487 50 0 JGAARN COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)CC(=O)N(C)C1=O ZINC000014989614 524821070 /nfs/dbraw/zinc/82/10/70/524821070.db2.gz IAAHZZQZSKXUND-LYZGTLIUSA-N 0 0 476.573 3.152 50 0 JGAARN COc1ccc(OC)c(CNC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000064972278 524831869 /nfs/dbraw/zinc/83/18/69/524831869.db2.gz ZFQIPOZLSFCXIE-QHCPKHFHSA-N 0 0 484.549 3.275 50 0 JGAARN Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCN(CC(=O)NC(C)(C)C)CC2)c1Cl ZINC000022759819 524847260 /nfs/dbraw/zinc/84/72/60/524847260.db2.gz HIBOWHCBXBTLCO-UHFFFAOYSA-N 0 0 450.432 3.221 50 0 JGAARN COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)OC2(CCN(C(C)=O)CC2)CC3=O)c1 ZINC000012296872 524852611 /nfs/dbraw/zinc/85/26/11/524852611.db2.gz MULGKMMUOCAKQN-UHFFFAOYSA-N 0 0 468.506 3.068 50 0 biogenic JGAARN COc1ccc(OC)c(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000065077380 524853783 /nfs/dbraw/zinc/85/37/83/524853783.db2.gz NMMFSUMQDCPESU-ZDUSSCGKSA-N 0 0 464.565 3.329 50 0 JGAARN Cc1ccc(F)cc1S(=O)(=O)N1CCCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000033037737 524869184 /nfs/dbraw/zinc/86/91/84/524869184.db2.gz JOGPSAVAMQOXSQ-UHFFFAOYSA-N 0 0 476.961 3.234 50 0 JGAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1 ZINC000046124703 524873885 /nfs/dbraw/zinc/87/38/85/524873885.db2.gz SKJMIBXGDQEQSE-HNNXBMFYSA-N 0 0 488.591 3.376 50 0 JGAARN COc1ccc(OC)c(S(=O)(=O)NCc2nc3ccc(Cl)cc3c(N3CCCC3)n2)c1 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/nfs/dbraw/zinc/89/43/29/524894329.db2.gz LDQHGKCFTINDIH-DEOSSOPVSA-N 0 0 465.594 3.120 50 0 JGAARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022751503 524911518 /nfs/dbraw/zinc/91/15/18/524911518.db2.gz GROFCXJQXVLVDT-MRXNPFEDSA-N 0 0 453.944 3.180 50 0 JGAARN Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)C2=O)c(C)c1 ZINC000025499334 524921941 /nfs/dbraw/zinc/92/19/41/524921941.db2.gz DVBFMVWSOXUPSE-DEOSSOPVSA-N 0 0 477.586 3.095 50 0 JGAARN Cc1ccc(N2C(=O)N(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C(=O)[C@@H]2C)cc1 ZINC000023844715 524925151 /nfs/dbraw/zinc/92/51/51/524925151.db2.gz VUVNOSWIJHPZCT-KRWDZBQOSA-N 0 0 464.522 3.189 50 0 JGAARN COc1ccc(OCC(=O)N2CCc3c(cnc(C)c3CNC(=O)[C@@H](OC)c3ccccc3)C2)cc1 ZINC000012454704 524930614 /nfs/dbraw/zinc/93/06/14/524930614.db2.gz JTCNEHLEZBWYOR-MHZLTWQESA-N 0 0 489.572 3.366 50 0 JGAARN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O)c1cc2ccccc2o1 ZINC000023934953 524949033 /nfs/dbraw/zinc/94/90/33/524949033.db2.gz 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Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccco1 ZINC000002865520 525016481 /nfs/dbraw/zinc/01/64/81/525016481.db2.gz XBXGGASDMUSYON-UHFFFAOYSA-N 0 0 483.575 3.273 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1Cl ZINC000016448388 525019872 /nfs/dbraw/zinc/01/98/72/525019872.db2.gz DGONFQOJVHEUFX-UHFFFAOYSA-N 0 0 496.004 3.237 50 0 JGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)n(C)c3)CC2)cc1Cl ZINC000033275160 525028425 /nfs/dbraw/zinc/02/84/25/525028425.db2.gz MEPHWDWIRQGEDP-UHFFFAOYSA-N 0 0 493.029 3.262 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)cc1Cl ZINC000016425011 525028848 /nfs/dbraw/zinc/02/88/48/525028848.db2.gz NISGHEATBACVID-HXUWFJFHSA-N 0 0 492.041 3.094 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000022621288 525031658 /nfs/dbraw/zinc/03/16/58/525031658.db2.gz JPWQFRKLWFBIAR-IBGZPJMESA-N 0 0 463.644 3.345 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1OC 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CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000008778366 554675304 /nfs/dbraw/zinc/67/53/04/554675304.db2.gz LDVAZXKOCURYGH-AWEZNQCLSA-N 0 0 453.545 3.485 50 0 JGAARN O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000008778907 554675727 /nfs/dbraw/zinc/67/57/27/554675727.db2.gz QHVXRDNBNUIMSC-UHFFFAOYSA-N 0 0 496.416 3.418 50 0 JGAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008789318 554681953 /nfs/dbraw/zinc/68/19/53/554681953.db2.gz MKAZWVQWIVARJP-NGOKVRLYSA-N 0 0 491.588 3.379 50 0 biogenic JGAARN Cc1c(C)c2c(OCC(=O)NCCCN3CCCC3=O)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008791710 554684937 /nfs/dbraw/zinc/68/49/37/554684937.db2.gz SOUBUKREISYIOR-UHFFFAOYSA-N 0 0 456.539 3.021 50 0 biogenic JGAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(C)C2 ZINC000008793009 554686264 /nfs/dbraw/zinc/68/62/64/554686264.db2.gz FSUDFDRMLKFVFR-UHFFFAOYSA-N 0 0 491.635 3.340 50 0 JGAARN 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/nfs/dbraw/zinc/74/66/45/554746645.db2.gz KCLWFLHKZXFYPZ-UHFFFAOYSA-N 0 0 494.504 3.366 50 0 JGAARN COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)c1 ZINC000008851254 554748104 /nfs/dbraw/zinc/74/81/04/554748104.db2.gz OMUGVIMHMRNAGT-UHFFFAOYSA-N 0 0 456.549 3.163 50 0 JGAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Cl)cc3)c(O)c12 ZINC000008854500 554750003 /nfs/dbraw/zinc/75/00/03/554750003.db2.gz GPRZUDZLBAQJKJ-DOTOQJQBSA-N 0 0 476.714 3.400 50 0 JGAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000008855558 554751232 /nfs/dbraw/zinc/75/12/32/554751232.db2.gz MSEPPTLKWBAGQC-DEOSSOPVSA-N 0 0 491.592 3.215 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008858220 554754979 /nfs/dbraw/zinc/75/49/79/554754979.db2.gz WPFLWEYGSMUCRI-WNAFVSSOSA-N 0 0 460.555 3.472 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008858221 554755082 /nfs/dbraw/zinc/75/50/82/554755082.db2.gz 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O=C(COc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000008901409 554794656 /nfs/dbraw/zinc/79/46/56/554794656.db2.gz YLASDVDLXZTXJM-UHFFFAOYSA-N 0 0 473.776 3.014 50 0 JGAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008901505 554794837 /nfs/dbraw/zinc/79/48/37/554794837.db2.gz RFXIFLLVTDWPJK-OAQYLSRUSA-N 0 0 484.647 3.107 50 0 JGAARN COc1cccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1OC ZINC000008911615 554800782 /nfs/dbraw/zinc/80/07/82/554800782.db2.gz QGRJMQAAUABQON-UHFFFAOYSA-N 0 0 458.536 3.207 50 0 JGAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)n1 ZINC000008916259 554810594 /nfs/dbraw/zinc/81/05/94/554810594.db2.gz ZZPVUTZLIJSWNN-UHFFFAOYSA-N 0 0 473.960 3.315 50 0 JGAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000008917550 554812858 /nfs/dbraw/zinc/81/28/58/554812858.db2.gz FEXNDJDPFQWFKM-OPAMFIHVSA-N 0 0 483.542 3.323 50 0 JGAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCn4ccnc4)CC(=O)N32)c1OC 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ZINC000008925939 554822024 /nfs/dbraw/zinc/82/20/24/554822024.db2.gz JJRMVQGNSKCCGR-UHFFFAOYSA-N 0 0 458.566 3.026 50 0 biogenic,in-vitro JGAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 ZINC000008927848 554825479 /nfs/dbraw/zinc/82/54/79/554825479.db2.gz NEIHCDPCGKJBFF-IBGZPJMESA-N 0 0 456.524 3.154 50 0 JGAARN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008929181 554825930 /nfs/dbraw/zinc/82/59/30/554825930.db2.gz KRXITVFFKFYLNR-UHFFFAOYSA-N 0 0 487.487 3.132 50 0 JGAARN Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)N4CCC(C(N)=O)CC4)c(=O)c32)c(C)c1 ZINC000008933242 554827090 /nfs/dbraw/zinc/82/70/90/554827090.db2.gz MDAFAFZVKGDGDY-UHFFFAOYSA-N 0 0 485.588 3.049 50 0 JGAARN Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)sc2n1 ZINC000008933778 554828481 /nfs/dbraw/zinc/82/84/81/554828481.db2.gz SWWLOQQQRCERLW-HXUWFJFHSA-N 0 0 451.596 3.157 50 0 JGAARN COc1cccc(Cn2c(Oc3ccc(Br)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000008934449 554829152 /nfs/dbraw/zinc/82/91/52/554829152.db2.gz ZFWNGNMFOPMKAN-UHFFFAOYSA-N 0 0 471.311 3.045 50 0 JGAARN Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1 ZINC000008937626 554830744 /nfs/dbraw/zinc/83/07/44/554830744.db2.gz QQQHDYOHHUNICM-UHFFFAOYSA-N 0 0 487.607 3.207 50 0 JGAARN O=C(/C=C/c1ccc(Br)s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008938895 554831247 /nfs/dbraw/zinc/83/12/47/554831247.db2.gz MEEPZOYXHKZYKE-ZZXKWVIFSA-N 0 0 475.361 3.323 50 0 JGAARN CC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965241 554839483 /nfs/dbraw/zinc/83/94/83/554839483.db2.gz XAZMGAINDRICQA-QHCPKHFHSA-N 0 0 470.577 3.499 50 0 JGAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000008965318 554839706 /nfs/dbraw/zinc/83/97/06/554839706.db2.gz QTYPSUYWTXQOEZ-UHFFFAOYSA-N 0 0 470.577 3.328 50 0 JGAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000008965579 554840388 /nfs/dbraw/zinc/84/03/88/554840388.db2.gz 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CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000008986912 554849482 /nfs/dbraw/zinc/84/94/82/554849482.db2.gz JTFGENRHWHFIOR-UHFFFAOYSA-N 0 0 481.368 3.454 50 0 JGAARN Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000008987619 554850202 /nfs/dbraw/zinc/85/02/02/554850202.db2.gz WRGFOURHBVOPGE-UHFFFAOYSA-N 0 0 489.399 3.197 50 0 JGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000008994605 554854580 /nfs/dbraw/zinc/85/45/80/554854580.db2.gz YTCNSNZHGOIWAK-FPTDNZKUSA-N 0 0 490.896 3.173 50 0 biogenic JGAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc2)cc1 ZINC000009006522 554860373 /nfs/dbraw/zinc/86/03/73/554860373.db2.gz IRQXKIJWJMHYRU-JOCHJYFZSA-N 0 0 486.546 3.061 50 0 JGAARN COc1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000009006042 554860445 /nfs/dbraw/zinc/86/04/45/554860445.db2.gz GFDUSQJGZLNZBJ-NRFANRHFSA-N 0 0 496.994 3.246 50 0 JGAARN CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nnc(C(C)C)s2)n1C ZINC000009026326 554867223 /nfs/dbraw/zinc/86/72/23/554867223.db2.gz KRPIVMFBVPSKQU-UHFFFAOYSA-N 0 0 459.601 3.264 50 0 JGAARN CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009035993 554868742 /nfs/dbraw/zinc/86/87/42/554868742.db2.gz FRJXUQOPZLQHOX-AWEZNQCLSA-N 0 0 453.358 3.179 50 0 JGAARN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000009041498 554869072 /nfs/dbraw/zinc/86/90/72/554869072.db2.gz RHSITEFFHAYQCQ-SFTDATJTSA-N 0 0 453.539 3.249 50 0 JGAARN CCOc1ccc(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000009051888 554872486 /nfs/dbraw/zinc/87/24/86/554872486.db2.gz HGAZDVJHDHEENJ-UHFFFAOYSA-N 0 0 497.621 3.126 50 0 JGAARN COc1ccc(-c2coc3cc(OCC(=O)N4CCN(C(=O)c5ccco5)CC4)ccc3c2=O)cc1 ZINC000009053623 554873099 /nfs/dbraw/zinc/87/30/99/554873099.db2.gz RZIDSXKIZKKEDB-UHFFFAOYSA-N 0 0 488.496 3.425 50 0 biogenic JGAARN COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000009056222 554874329 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569712436 /nfs/dbraw/zinc/71/24/36/569712436.db2.gz JFTWCENCGHPFHF-INIZCTEOSA-N 0 0 466.629 3.472 50 0 JGAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085650740 569712544 /nfs/dbraw/zinc/71/25/44/569712544.db2.gz GNEJTFLFDJRLJT-UHFFFAOYSA-N 0 0 458.628 3.352 50 0 JGAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000085650767 569712568 /nfs/dbraw/zinc/71/25/68/569712568.db2.gz OAWCEHJXWIVSEJ-UHFFFAOYSA-N 0 0 487.025 3.277 50 0 JGAARN Cc1cc(Cl)ccc1NC(=O)CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCCCCC2)c1 ZINC000085650887 569712683 /nfs/dbraw/zinc/71/26/83/569712683.db2.gz ACLAZSDPLVKBIY-UHFFFAOYSA-N 0 0 466.991 3.252 50 0 JGAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 ZINC000085651033 569712950 /nfs/dbraw/zinc/71/29/50/569712950.db2.gz TVVJNTFOADDULM-MRXNPFEDSA-N 0 0 494.564 3.349 50 0 JGAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NCc1cccs1 ZINC000085653594 569714284 /nfs/dbraw/zinc/71/42/84/569714284.db2.gz 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O=C(NCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cnccn3)C[C@H]12 ZINC000035871626 569718907 /nfs/dbraw/zinc/71/89/07/569718907.db2.gz GPHBMOOXSHBUHY-TZIWHRDSSA-N 0 0 468.483 3.074 50 0 JGAARN Cc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000089657611 569719376 /nfs/dbraw/zinc/71/93/76/569719376.db2.gz HSISMBNLXQJBDI-UHFFFAOYSA-N 0 0 465.000 3.150 50 0 JGAARN CC(C)C[C@@H](C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000089802284 569719842 /nfs/dbraw/zinc/71/98/42/569719842.db2.gz IPHIOXOBRIRQIG-MZKRTTBSSA-N 0 0 471.561 3.403 50 0 JGAARN O=C(COc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000089851217 569720093 /nfs/dbraw/zinc/72/00/93/569720093.db2.gz SNSNPHSWVWXBDQ-UHFFFAOYSA-N 0 0 454.523 3.405 50 0 JGAARN O=C(CNc1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089847669 569720124 /nfs/dbraw/zinc/72/01/24/569720124.db2.gz ZLZUHLILQQUZOF-UHFFFAOYSA-N 0 0 451.548 3.424 50 0 JGAARN O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 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/nfs/dbraw/zinc/72/39/71/569723971.db2.gz VONIZMDDYLHLLI-UHFFFAOYSA-N 0 0 457.452 3.471 50 0 JGAARN O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095475600 569724240 /nfs/dbraw/zinc/72/42/40/569724240.db2.gz BLTIYAQRIMGPPY-RMKNXTFCSA-N 0 0 471.605 3.456 50 0 JGAARN COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)sc1-c1ccc(F)cc1 ZINC000095478084 569724498 /nfs/dbraw/zinc/72/44/98/569724498.db2.gz RACQKSMMYHJVTG-INIZCTEOSA-N 0 0 482.493 3.855 50 0 JGAARN CC(=O)N1CCN(C(=O)CCn2c(Cc3cccnc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000095537596 569725999 /nfs/dbraw/zinc/72/59/99/569725999.db2.gz OURAEMAWVTUEDU-UHFFFAOYSA-N 0 0 460.365 3.410 50 0 JGAARN COCc1nc(C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000095538652 569726348 /nfs/dbraw/zinc/72/63/48/569726348.db2.gz XSIKICXLSBQBKY-UHFFFAOYSA-N 0 0 451.493 3.345 50 0 JGAARN COc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c(CN2CCc3ccccc3C2)cc1=O ZINC000095540834 569726480 /nfs/dbraw/zinc/72/64/80/569726480.db2.gz HXMOJBPAXZALNU-UHFFFAOYSA-N 0 0 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ZINC000035924786 569728306 /nfs/dbraw/zinc/72/83/06/569728306.db2.gz QPYQKWSGAOELFN-CYBMUJFWSA-N 0 0 474.535 3.464 50 0 JGAARN O=c1oc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2n1Cc1noc(C2CC2)n1 ZINC000095841800 569728978 /nfs/dbraw/zinc/72/89/78/569728978.db2.gz RDLFIKZBLAVRLS-UHFFFAOYSA-N 0 0 460.899 3.035 50 0 JGAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000095841965 569729207 /nfs/dbraw/zinc/72/92/07/569729207.db2.gz HBULWFDWABFUTQ-UHFFFAOYSA-N 0 0 496.010 3.075 50 0 JGAARN C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000095903339 569729428 /nfs/dbraw/zinc/72/94/28/569729428.db2.gz RAZZYFNQQDIKGG-CPJSRVTESA-N 0 0 455.574 3.041 50 0 JGAARN Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000095920437 569729579 /nfs/dbraw/zinc/72/95/79/569729579.db2.gz HHRIZDQNNWDMEW-UHFFFAOYSA-N 0 0 499.593 3.073 50 0 JGAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926755 569730140 /nfs/dbraw/zinc/73/01/40/569730140.db2.gz KQTPTBQWEYJDRL-QHCPKHFHSA-N 0 0 494.684 3.266 50 0 JGAARN CCOc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OCC)[C@H](C)C1 ZINC000095954769 569731626 /nfs/dbraw/zinc/73/16/26/569731626.db2.gz HBXOQLNKCJBACW-LJQANCHMSA-N 0 0 496.651 3.185 50 0 JGAARN NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)c1 ZINC000096114231 569733257 /nfs/dbraw/zinc/73/32/57/569733257.db2.gz FXPSRQRWYDESLU-KRWDZBQOSA-N 0 0 473.437 3.176 50 0 biogenic JGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OCC(N)=O)cc2)cc1 ZINC000096114879 569733985 /nfs/dbraw/zinc/73/39/85/569733985.db2.gz ZHUXRTGHQPBUGS-WIOPSUGQSA-N 0 0 486.480 3.197 50 0 biogenic JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946918 569734047 /nfs/dbraw/zinc/73/40/47/569734047.db2.gz GYPVHTYXHIKXFJ-RUZDIDTESA-N 0 0 498.574 3.459 50 0 JGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F ZINC000035946943 569734115 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O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1 ZINC000008763775 554664139 /nfs/dbraw/zinc/66/41/39/554664139.db2.gz LAWNESNKEYLYDS-NRFANRHFSA-N 0 0 460.465 3.014 50 0 JGAARN CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)N[C@H](C)Cc2c[nH]c3ccccc23)C1=O ZINC000008764266 554664585 /nfs/dbraw/zinc/66/45/85/554664585.db2.gz FEKHQPLLQYRLKQ-ZUOKHONESA-N 0 0 483.366 3.202 50 0 biogenic JGAARN CCOC(=O)N1CCN(C(=O)CCc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)CC1 ZINC000008764949 554665655 /nfs/dbraw/zinc/66/56/55/554665655.db2.gz LDIUDTMIJUOLIG-UHFFFAOYSA-N 0 0 486.565 3.447 50 0 biogenic JGAARN CC(=O)N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(Cl)cc1Cl ZINC000008765371 554665820 /nfs/dbraw/zinc/66/58/20/554665820.db2.gz KARAYELYATWDMS-UCGFNCKJSA-N 0 0 454.306 3.077 50 0 biogenic JGAARN COc1cc2c(c3oc(=O)c(CCC(=O)N4CCc5[nH]cnc5C4)c(C)c13)CCC(C)(C)O2 ZINC000008765138 554665852 /nfs/dbraw/zinc/66/58/52/554665852.db2.gz SIJKBQQMVKLSPM-UHFFFAOYSA-N 0 0 451.523 3.454 50 0 biogenic 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O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)NCc1ccccc1Cl ZINC000009562816 555364437 /nfs/dbraw/zinc/36/44/37/555364437.db2.gz WVJOWJYMDSPHLO-UHFFFAOYSA-N 0 0 491.979 3.493 50 0 JGAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009660548 555364515 /nfs/dbraw/zinc/36/45/15/555364515.db2.gz OZTBYRQXVJXISL-UHFFFAOYSA-N 0 0 497.646 3.342 50 0 JGAARN O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)NCc1ccccc1Cl ZINC000009660707 555364880 /nfs/dbraw/zinc/36/48/80/555364880.db2.gz OZNGRQNBRFAPRC-UHFFFAOYSA-N 0 0 469.328 3.230 50 0 JGAARN O=C(Nc1ccc(Br)cc1F)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000009568798 555365161 /nfs/dbraw/zinc/36/51/61/555365161.db2.gz JSEWDBJQHGDIAS-LBPRGKRZSA-N 0 0 450.264 3.286 50 0 JGAARN COc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(Cl)c4)n3n2)cc1 ZINC000009568977 555365674 /nfs/dbraw/zinc/36/56/74/555365674.db2.gz CLOQJNAREQNCNC-UHFFFAOYSA-N 0 0 455.927 3.417 50 0 JGAARN CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 ZINC000013164649 555365791 /nfs/dbraw/zinc/36/57/91/555365791.db2.gz KISNIIFRGPVSOE-SFHVURJKSA-N 0 0 452.536 3.432 50 0 JGAARN O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009569061 555365959 /nfs/dbraw/zinc/36/59/59/555365959.db2.gz OOYPYUNJFDLBOP-UHFFFAOYSA-N 0 0 469.910 3.137 50 0 JGAARN Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000009661775 555366119 /nfs/dbraw/zinc/36/61/19/555366119.db2.gz NSEUSWULKLWXBP-LJQANCHMSA-N 0 0 494.635 3.172 50 0 JGAARN O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009661895 555366412 /nfs/dbraw/zinc/36/64/12/555366412.db2.gz LTKZKMHMQWHYDD-UHFFFAOYSA-N 0 0 497.529 3.112 50 0 JGAARN CN(C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000009661946 555366767 /nfs/dbraw/zinc/36/67/67/555366767.db2.gz HDIZTSSIHUYECF-SNVBAGLBSA-N 0 0 457.986 3.342 50 0 JGAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009662059 555366966 /nfs/dbraw/zinc/36/69/66/555366966.db2.gz 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O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)NC(=O)c1ccc(OC(F)F)cc1 ZINC000009662860 555369786 /nfs/dbraw/zinc/36/97/86/555369786.db2.gz SHYRBGARUNKCOJ-UHFFFAOYSA-N 0 0 471.338 3.156 50 0 JGAARN COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4OC)CC3)cs2)cc1 ZINC000009573714 555370811 /nfs/dbraw/zinc/37/08/11/555370811.db2.gz PQCYSQOYEJHUIV-UHFFFAOYSA-N 0 0 466.563 3.304 50 0 JGAARN COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1OC ZINC000009573722 555370857 /nfs/dbraw/zinc/37/08/57/555370857.db2.gz PMIMTQUHAGSRMJ-UHFFFAOYSA-N 0 0 484.553 3.443 50 0 JGAARN COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009573788 555370936 /nfs/dbraw/zinc/37/09/36/555370936.db2.gz KOIIURFHKDEHMO-UHFFFAOYSA-N 0 0 476.430 3.361 50 0 JGAARN COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CCN(c5ncccn5)CC4)ccc3c2=O)cc1 ZINC000009575402 555371534 /nfs/dbraw/zinc/37/15/34/555371534.db2.gz FIHLNFHKBNIQLL-UHFFFAOYSA-N 0 0 486.528 3.295 50 0 biogenic JGAARN COC(=O)c1sc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c(C(=O)OC)c1C 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Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)c(C)n1Cc1ccc(F)cc1 ZINC000009666753 555379841 /nfs/dbraw/zinc/37/98/41/555379841.db2.gz IWAINPUOPWADBA-SFHVURJKSA-N 0 0 490.626 3.373 50 0 JGAARN CCc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)cc1 ZINC000009578583 555380207 /nfs/dbraw/zinc/38/02/07/555380207.db2.gz JIHLNOFBMCHUFP-UHFFFAOYSA-N 0 0 490.589 3.399 50 0 JGAARN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)ccc21 ZINC000009666800 555380249 /nfs/dbraw/zinc/38/02/49/555380249.db2.gz YSTQVEXJUUCXDM-HXUWFJFHSA-N 0 0 487.559 3.269 50 0 JGAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009578882 555381425 /nfs/dbraw/zinc/38/14/25/555381425.db2.gz ZCHNJCDTQTVRHY-HXUWFJFHSA-N 0 0 488.610 3.105 50 0 JGAARN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000009579015 555382150 /nfs/dbraw/zinc/38/21/50/555382150.db2.gz CZDXQODWJUOJSF-KRWDZBQOSA-N 0 0 455.540 3.022 50 0 JGAARN COc1ccc(OCC(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1 ZINC000013354990 555382449 /nfs/dbraw/zinc/38/24/49/555382449.db2.gz KOEFAOGRDSRQKY-QGZVFWFLSA-N 0 0 475.617 3.477 50 0 JGAARN Cc1cccc(N2CCN(C(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)CC2)c1C ZINC000009669069 555383079 /nfs/dbraw/zinc/38/30/79/555383079.db2.gz AXBMAVIBODSENL-UHFFFAOYSA-N 0 0 480.428 3.181 50 0 JGAARN COc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1 ZINC000009669451 555383659 /nfs/dbraw/zinc/38/36/59/555383659.db2.gz ALMMMHBQLHGAIC-CQSZACIVSA-N 0 0 460.581 3.475 50 0 JGAARN COc1ccc(Cl)cc1N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)CC1=O ZINC000009669474 555383914 /nfs/dbraw/zinc/38/39/14/555383914.db2.gz MGVRCSCIECZDBO-CQSZACIVSA-N 0 0 482.928 3.264 50 0 JGAARN CCc1ccc(-c2nc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)cc1 ZINC000009579812 555384232 /nfs/dbraw/zinc/38/42/32/555384232.db2.gz DSWDRXCMUGDYIL-HXUWFJFHSA-N 0 0 470.620 3.342 50 0 JGAARN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccccc1 ZINC000009579809 555384257 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CN(CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000019891973 555530484 /nfs/dbraw/zinc/53/04/84/555530484.db2.gz HQIQOOXSWFHGED-XMMPIXPASA-N 0 0 476.529 3.432 50 0 JGAARN CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000019892214 555530978 /nfs/dbraw/zinc/53/09/78/555530978.db2.gz CHUBOFHTOZMWTA-FCHUYYIVSA-N 0 0 451.523 3.463 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccncc1 ZINC000013607493 555531698 /nfs/dbraw/zinc/53/16/98/555531698.db2.gz DBKVFMSLJLIWCO-OCAQFLDPSA-N 0 0 466.607 3.277 50 0 JGAARN CC[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000009831199 555532911 /nfs/dbraw/zinc/53/29/11/555532911.db2.gz DVMNPNDPYMKDNK-OAQYLSRUSA-N 0 0 469.607 3.110 50 0 JGAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019897773 555533305 /nfs/dbraw/zinc/53/33/05/555533305.db2.gz HLOUYPICFXXZLT-UHFFFAOYSA-N 0 0 470.982 3.081 50 0 JGAARN O=C(CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)N1CCN(c2ccccc2F)CC1 ZINC000009833249 555535491 /nfs/dbraw/zinc/53/54/91/555535491.db2.gz KIAUKIBWBNEEHZ-UHFFFAOYSA-N 0 0 494.958 3.344 50 0 JGAARN CSCO[C@@H]1[C@H]2O[C@H](c3ccccc3)OC[C@@H]2O[C@H](OCc2ccccc2)[C@H]1NC(C)=O ZINC000019909705 555537423 /nfs/dbraw/zinc/53/74/23/555537423.db2.gz HMIWNGRPJSPZNL-OVUYMFTPSA-N 0 0 459.564 3.253 50 0 JGAARN COc1cccc(NC(=O)[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)c1 ZINC000013624869 555538674 /nfs/dbraw/zinc/53/86/74/555538674.db2.gz GXPFFHPYEVQDBZ-JTSKRJEESA-N 0 0 491.585 3.015 50 0 JGAARN O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000009834916 555539213 /nfs/dbraw/zinc/53/92/13/555539213.db2.gz WGOXUTXYXGOQKF-LJQANCHMSA-N 0 0 486.571 3.197 50 0 JGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H]1CCS(=O)(=O)C1)occ3-c1ccc(F)cc1 ZINC000013625965 555539240 /nfs/dbraw/zinc/53/92/40/555539240.db2.gz XNAGDQKPNMTSFV-MRXNPFEDSA-N 0 0 469.490 3.500 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nc(C)cs1 ZINC000013629563 555540815 /nfs/dbraw/zinc/54/08/15/555540815.db2.gz DIAKWRLKJIMKDM-ALKREAHSSA-N 0 0 496.630 3.161 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nc(C)cs1 ZINC000013629559 555540831 /nfs/dbraw/zinc/54/08/31/555540831.db2.gz DIAKWRLKJIMKDM-OGWOLHLISA-N 0 0 496.630 3.161 50 0 JGAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000009837219 555542356 /nfs/dbraw/zinc/54/23/56/555542356.db2.gz BNGOHBBDJQSFHL-CYBMUJFWSA-N 0 0 463.560 3.417 50 0 JGAARN COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC ZINC000009837888 555542426 /nfs/dbraw/zinc/54/24/26/555542426.db2.gz CRCLNYIXNKXCPB-UHFFFAOYSA-N 0 0 458.540 3.186 50 0 JGAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000009838804 555543250 /nfs/dbraw/zinc/54/32/50/555543250.db2.gz OCLMXFMIPPWSJB-UHFFFAOYSA-N 0 0 483.590 3.248 50 0 JGAARN COCCCNC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009841674 555544613 /nfs/dbraw/zinc/54/46/13/555544613.db2.gz XBLNEXRUZFZPJN-HYBUGGRVSA-N 0 0 486.565 3.358 50 0 JGAARN Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4ccc(Cl)cc4)ccc3=O)cc2s1 ZINC000009844700 555545038 /nfs/dbraw/zinc/54/50/38/555545038.db2.gz RRWXGLKPZUIYKL-UHFFFAOYSA-N 0 0 460.968 3.460 50 0 JGAARN CC(C)c1ccc([C@H]2NC3=NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000013638182 555545811 /nfs/dbraw/zinc/54/58/11/555545811.db2.gz FRGWYWGBJSBWCH-VWLOTQADSA-N 0 0 473.625 3.425 50 0 JGAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3ccnc3C)cc2)C1 ZINC000013640554 555547214 /nfs/dbraw/zinc/54/72/14/555547214.db2.gz CDXLHTYSFLYCMT-KRWDZBQOSA-N 0 0 492.552 3.429 50 0 JGAARN O=C(c1ccccc1Br)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000009849247 555551199 /nfs/dbraw/zinc/55/11/99/555551199.db2.gz DRHVCHYWZXNTOZ-UHFFFAOYSA-N 0 0 482.317 3.075 50 0 JGAARN COc1ccc(-c2coc3cc(OCC(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC 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/nfs/dbraw/zinc/57/07/11/555570711.db2.gz AQBSHHYZSSTECD-UHFFFAOYSA-N 0 0 481.574 3.449 50 0 JGAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(COc3ccccc3F)n1N)CCC2 ZINC000009980445 555581065 /nfs/dbraw/zinc/58/10/65/555581065.db2.gz DGOKIGUYILSQOR-UHFFFAOYSA-N 0 0 491.570 3.168 50 0 JGAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000009981022 555581395 /nfs/dbraw/zinc/58/13/95/555581395.db2.gz DMMFRUSPPMWNTI-UHFFFAOYSA-N 0 0 470.551 3.137 50 0 JGAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)NC(C)C)n2-c2ccccc2F)cc1 ZINC000009983409 555582673 /nfs/dbraw/zinc/58/26/73/555582673.db2.gz ZJBWGZBCSCMPJL-UHFFFAOYSA-N 0 0 473.530 3.320 50 0 JGAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000009985554 555584453 /nfs/dbraw/zinc/58/44/53/555584453.db2.gz GWXLOHVXVQOAHM-UHFFFAOYSA-N 0 0 456.351 3.132 50 0 JGAARN O=C(COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000009986048 555584781 /nfs/dbraw/zinc/58/47/81/555584781.db2.gz GZPXWCNZMBNBBH-JCMHNJIXSA-N 0 0 498.499 3.005 50 0 JGAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000009985703 555584785 /nfs/dbraw/zinc/58/47/85/555584785.db2.gz UODHJBSVRUOTCM-UHFFFAOYSA-N 0 0 487.607 3.243 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC000009986434 555585430 /nfs/dbraw/zinc/58/54/30/555585430.db2.gz ACTGQPJKMGYAML-UHFFFAOYSA-N 0 0 485.389 3.300 50 0 JGAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000009987016 555585771 /nfs/dbraw/zinc/58/57/71/555585771.db2.gz QMYSSMURWTVYFK-DEOSSOPVSA-N 0 0 496.523 3.477 50 0 JGAARN Cc1ccc2nc(COC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)cc(=O)n2c1 ZINC000009987662 555586287 /nfs/dbraw/zinc/58/62/87/555586287.db2.gz UBLIDMMWCCNSQE-UHFFFAOYSA-N 0 0 475.526 3.111 50 0 JGAARN CCOc1cc2c(cc1CNC(=O)CCc1nc3c(cnn3-c3ccccc3)c(=O)[nH]1)O[C@H](C)C2 ZINC000009994297 555588479 /nfs/dbraw/zinc/58/84/79/555588479.db2.gz RAYCBSUQGCYGMV-MRXNPFEDSA-N 0 0 473.533 3.080 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(CC(C)C)c4s3)CC2)cc1 ZINC000009995918 555589275 /nfs/dbraw/zinc/58/92/75/555589275.db2.gz SANRWQBREBMATA-UHFFFAOYSA-N 0 0 476.624 3.218 50 0 JGAARN CN1CCN(c2oc(-c3cccc(Cl)c3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013719520 555595345 /nfs/dbraw/zinc/59/53/45/555595345.db2.gz MRCGISYTIXIIPZ-UHFFFAOYSA-N 0 0 475.954 3.351 50 0 JGAARN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCCN1C(=O)c2ccccc2C1=O ZINC000010016659 555595496 /nfs/dbraw/zinc/59/54/96/555595496.db2.gz SVWFTODJIITONM-UHFFFAOYSA-N 0 0 486.619 3.475 50 0 JGAARN O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000013721022 555596552 /nfs/dbraw/zinc/59/65/52/555596552.db2.gz MXNKOPMUZFSGSP-UHFFFAOYSA-N 0 0 476.396 3.396 50 0 JGAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2Cc2ccco2)cc1 ZINC000010021600 555596783 /nfs/dbraw/zinc/59/67/83/555596783.db2.gz GFWOJGRHDSLMTG-SFHVURJKSA-N 0 0 488.635 3.279 50 0 JGAARN COC(=O)c1ccc(Oc2c(C)oc3c(ccc4c3CN([C@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000013722312 555597719 /nfs/dbraw/zinc/59/77/19/555597719.db2.gz VTKWWAWZJKUYEC-INIZCTEOSA-N 0 0 485.514 3.019 50 0 biogenic JGAARN O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000010025148 555599347 /nfs/dbraw/zinc/59/93/47/555599347.db2.gz GPHLFSKINPFVCB-UHFFFAOYSA-N 0 0 478.567 3.417 50 0 JGAARN CSc1nc2nc(C)c(CCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(C)n2n1 ZINC000010027525 555599874 /nfs/dbraw/zinc/59/98/74/555599874.db2.gz VXQIOCQGUAAOIS-UHFFFAOYSA-N 0 0 452.584 3.273 50 0 JGAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000010027485 555599981 /nfs/dbraw/zinc/59/99/81/555599981.db2.gz IJMVROUELOIAAB-UHFFFAOYSA-N 0 0 476.558 3.356 50 0 JGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000010031042 555601096 /nfs/dbraw/zinc/60/10/96/555601096.db2.gz XBLCLGTWKIPHRL-UHFFFAOYSA-N 0 0 478.530 3.015 50 0 JGAARN COc1cc(NC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)c(OC)cc1Cl ZINC000013729255 555602607 /nfs/dbraw/zinc/60/26/07/555602607.db2.gz OEAPRGXEVXNVRR-LBPRGKRZSA-N 0 0 453.948 3.044 50 0 JGAARN O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(Cl)ccc1-n1cncn1 ZINC000010037386 555603613 /nfs/dbraw/zinc/60/36/13/555603613.db2.gz FJYUKQFBXSTUDD-JOCHJYFZSA-N 0 0 480.956 3.139 50 0 JGAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(-c3ccco3)n1-c1ccccc1)C2=O ZINC000010037818 555604382 /nfs/dbraw/zinc/60/43/82/555604382.db2.gz FLPQYLHCOLLVEV-UHFFFAOYSA-N 0 0 480.550 3.151 50 0 JGAARN CCOC(=O)c1ccc(Oc2coc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1 ZINC000013732651 555604403 /nfs/dbraw/zinc/60/44/03/555604403.db2.gz SQHUJKUOELXQKJ-MRXNPFEDSA-N 0 0 485.514 3.101 50 0 biogenic JGAARN COc1ccc(C2(CN3C(=O)N[C@@H](CCC(=O)Nc4ccccc4F)C3=O)CCOCC2)cc1 ZINC000013733855 555605120 /nfs/dbraw/zinc/60/51/20/555605120.db2.gz MZEUDGOZDSQUGW-NRFANRHFSA-N 0 0 469.513 3.222 50 0 JGAARN C[C@@H](NC(=O)COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000010054675 555607673 /nfs/dbraw/zinc/60/76/73/555607673.db2.gz KJKFYLDLYKDMRZ-BXWNDJAQSA-N 0 0 470.353 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ZINC000096114453 569733400 /nfs/dbraw/zinc/73/34/00/569733400.db2.gz OIGPKIOEIHSMCT-GCJKJVERSA-N 0 0 462.414 3.358 50 0 biogenic JGAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000035946974 569734063 /nfs/dbraw/zinc/73/40/63/569734063.db2.gz BGGQMIRWENXSFM-QHCPKHFHSA-N 0 0 482.556 3.057 50 0 JGAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000035947178 569734153 /nfs/dbraw/zinc/73/41/53/569734153.db2.gz VHWPPJMXDDHJTO-VWLOTQADSA-N 0 0 478.568 3.074 50 0 JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000035947174 569734226 /nfs/dbraw/zinc/73/42/26/569734226.db2.gz YXYXMKCNIBNGPH-VWLOTQADSA-N 0 0 480.584 3.320 50 0 JGAARN NC(=O)COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096115258 569734309 /nfs/dbraw/zinc/73/43/09/569734309.db2.gz INAPMGHJKHRLKP-KRWDZBQOSA-N 0 0 473.437 3.176 50 0 biogenic JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1OC ZINC000035947339 569734355 /nfs/dbraw/zinc/73/43/55/569734355.db2.gz WYEYLZVZUOANSE-OAQYLSRUSA-N 0 0 456.518 3.190 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)C1CCC1 ZINC000035947829 569734761 /nfs/dbraw/zinc/73/47/61/569734761.db2.gz NSZLPTMCWWRHRT-QHCPKHFHSA-N 0 0 493.560 3.377 50 0 JGAARN NC(=O)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000096115896 569734904 /nfs/dbraw/zinc/73/49/04/569734904.db2.gz ONGXEANLEBVGFT-XUZZJYLKSA-N 0 0 456.454 3.189 50 0 biogenic JGAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2cc(Br)ccc21 ZINC000096115941 569734912 /nfs/dbraw/zinc/73/49/12/569734912.db2.gz QGBVLYOFXKMKFH-SFHVURJKSA-N 0 0 469.339 3.051 50 0 biogenic JGAARN Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035948005 569734947 /nfs/dbraw/zinc/73/49/47/569734947.db2.gz GEGKKHGEJUGTJM-QHCPKHFHSA-N 0 0 497.665 3.115 50 0 JGAARN COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 ZINC000035947925 569734975 /nfs/dbraw/zinc/73/49/75/569734975.db2.gz SXKYNUQYDMRJEO-QFIPXVFZSA-N 0 0 496.633 3.005 50 0 JGAARN Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035948006 569734976 /nfs/dbraw/zinc/73/49/76/569734976.db2.gz GEGKKHGEJUGTJM-HSZRJFAPSA-N 0 0 497.665 3.115 50 0 JGAARN COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[nH][nH]c1=O)c1cc(OC)c2c(c1)OCCO2 ZINC000096116082 569735021 /nfs/dbraw/zinc/73/50/21/569735021.db2.gz BNYNLDGWGUPAEL-QGZVFWFLSA-N 0 0 454.479 3.190 50 0 biogenic JGAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C1CC1 ZINC000035948380 569735395 /nfs/dbraw/zinc/73/53/95/569735395.db2.gz GPPKOYRERZXEFB-LJQANCHMSA-N 0 0 471.579 3.328 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000035948595 569735534 /nfs/dbraw/zinc/73/55/34/569735534.db2.gz XIYXKJCFDFRIMW-IBGZPJMESA-N 0 0 459.568 3.328 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)C(C)C ZINC000035948676 569735664 /nfs/dbraw/zinc/73/56/64/569735664.db2.gz QQUMRGQMSVOMCJ-SFHVURJKSA-N 0 0 457.552 3.286 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC)C(=O)NC(C)C ZINC000035949108 569735886 /nfs/dbraw/zinc/73/58/86/569735886.db2.gz KYZUFGBFSNEKTB-QHCPKHFHSA-N 0 0 482.581 3.448 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC ZINC000035949107 569735892 /nfs/dbraw/zinc/73/58/92/569735892.db2.gz SFWHCCWEELKJIW-JOCHJYFZSA-N 0 0 468.554 3.059 50 0 JGAARN Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCC[C@H](c3nnc(-c4ccsc4)o3)C1)CS2 ZINC000096119095 569736104 /nfs/dbraw/zinc/73/61/04/569736104.db2.gz LGRFZJLQSYTDSC-HOCLYGCPSA-N 0 0 457.581 3.415 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1)C(C)=O ZINC000035960505 569736379 /nfs/dbraw/zinc/73/63/79/569736379.db2.gz BDOZWAKRUIYDML-QFIPXVFZSA-N 0 0 457.502 3.016 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1)C(C)=O ZINC000035960506 569736428 /nfs/dbraw/zinc/73/64/28/569736428.db2.gz BDOZWAKRUIYDML-JOCHJYFZSA-N 0 0 457.502 3.016 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000035960514 569736537 /nfs/dbraw/zinc/73/65/37/569736537.db2.gz NZSVZIAIGODVDH-JOCHJYFZSA-N 0 0 471.529 3.406 50 0 JGAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(C)C(=O)C2CC2)cc1 ZINC000035960967 569736651 /nfs/dbraw/zinc/73/66/51/569736651.db2.gz PBFKEICHKHJDAD-JOCHJYFZSA-N 0 0 451.523 3.259 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1)C(=O)C1CC1 ZINC000035961099 569736844 /nfs/dbraw/zinc/73/68/44/569736844.db2.gz JFFKKNGZCFQQJF-HSZRJFAPSA-N 0 0 465.550 3.267 50 0 JGAARN CCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000035961170 569736905 /nfs/dbraw/zinc/73/69/05/569736905.db2.gz JOMJKIHZJBYGJT-NRFANRHFSA-N 0 0 454.527 3.051 50 0 JGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccco1 ZINC000035961318 569736953 /nfs/dbraw/zinc/73/69/53/569736953.db2.gz YQYRJSHCIOGZRZ-DEOSSOPVSA-N 0 0 495.624 3.328 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 ZINC000035961211 569737016 /nfs/dbraw/zinc/73/70/16/569737016.db2.gz VUQAMDZCYDVOCI-JOCHJYFZSA-N 0 0 468.554 3.059 50 0 JGAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035962360 569737532 /nfs/dbraw/zinc/73/75/32/569737532.db2.gz VDTMEOKKJJDOSG-HXUWFJFHSA-N 0 0 469.538 3.267 50 0 JGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3)C2)c1 ZINC000035963027 569737848 /nfs/dbraw/zinc/73/78/48/569737848.db2.gz LUHUVGZEUHANEB-SANMLTNESA-N 0 0 492.620 3.190 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC)C(=O)NC(C)C ZINC000035963374 569737934 /nfs/dbraw/zinc/73/79/34/569737934.db2.gz HULDHNOOZNXGMR-QHCPKHFHSA-N 0 0 482.581 3.448 50 0 JGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000096210207 569738005 /nfs/dbraw/zinc/73/80/05/569738005.db2.gz OPUXILMUPYZWNP-HSZRJFAPSA-N 0 0 497.567 3.080 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000035963841 569738192 /nfs/dbraw/zinc/73/81/92/569738192.db2.gz IMMQKYCHKLMZKB-QHCPKHFHSA-N 0 0 483.565 3.275 50 0 JGAARN CCN1C2=C(C(=O)N([C@H](C(=O)NC3CC3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966519 569738519 /nfs/dbraw/zinc/73/85/19/569738519.db2.gz LBDXYVQXJYYETL-MOPGFXCFSA-N 0 0 464.488 3.191 50 0 JGAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCc4ccccc4C3)co1)CC2 ZINC000096222027 569739317 /nfs/dbraw/zinc/73/93/17/569739317.db2.gz UGGHNAIJUKARMZ-UHFFFAOYSA-N 0 0 490.556 3.179 50 0 biogenic JGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222488 569739703 /nfs/dbraw/zinc/73/97/03/569739703.db2.gz NJMYZGVNCYZYJU-YWZLYKJASA-N 0 0 497.592 3.188 50 0 biogenic JGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)C=C2 ZINC000096223952 569739795 /nfs/dbraw/zinc/73/97/95/569739795.db2.gz CLZHCWPXZSAHHV-UHFFFAOYSA-N 0 0 455.942 3.061 50 0 JGAARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N([C@H](C(=O)NCc2ccco2)c2ccccc2)C3)cc1 ZINC000035979138 569741627 /nfs/dbraw/zinc/74/16/27/569741627.db2.gz VLVRVXVVBHYPHG-ZEQRLZLVSA-N 0 0 486.528 3.138 50 0 JGAARN CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OCC(=O)OC)c1 ZINC000096580664 569741682 /nfs/dbraw/zinc/74/16/82/569741682.db2.gz JYISELUKXUXFLO-UHFFFAOYSA-N 0 0 492.450 3.248 50 0 JGAARN CCCOc1ccc(C(O)=C2[C@H](c3ccc(C(=O)OC)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035980660 569742433 /nfs/dbraw/zinc/74/24/33/569742433.db2.gz BUIIKNLRUVDFSL-NPPFBWRTSA-N 0 0 480.439 3.366 50 0 JGAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CO[C@]3(CCC[C@H](C)C3)N2C(=O)c2ccccc2F)CC1 ZINC000035981608 569742766 /nfs/dbraw/zinc/74/27/66/569742766.db2.gz WNKRBWGQWJVVMJ-ADSMNUKGSA-N 0 0 460.546 3.375 50 0 JGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(C)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986543 569742983 /nfs/dbraw/zinc/74/29/83/569742983.db2.gz OVGDJDIWQCCOAT-GBXCKJPGSA-N 0 0 493.604 3.392 50 0 JGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986602 569743002 /nfs/dbraw/zinc/74/30/02/569743002.db2.gz SUBDNNNPGMXNPH-PGRDOPGGSA-N 0 0 467.541 3.214 50 0 JGAARN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(C(N)=O)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000096793139 569743031 /nfs/dbraw/zinc/74/30/31/569743031.db2.gz GWQUOVSOHSQISO-NJYVYQBISA-N 0 0 453.495 3.189 50 0 JGAARN CC(C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986848 569743105 /nfs/dbraw/zinc/74/31/05/569743105.db2.gz UMTRVVRQSGGMTG-OAQYLSRUSA-N 0 0 469.969 3.338 50 0 JGAARN O=C(CSc1ccc(C(F)(F)F)cn1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096841567 569743436 /nfs/dbraw/zinc/74/34/36/569743436.db2.gz QDDBELFMPBETLN-JYRVWZFOSA-N 0 0 471.526 3.337 50 0 JGAARN COc1cccc(C(=O)N2[C@H](C(=O)NC3CC3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000035990091 569743982 /nfs/dbraw/zinc/74/39/82/569743982.db2.gz RZAQPBFICYRPLY-QFIPXVFZSA-N 0 0 497.979 3.101 50 0 JGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035990071 569744027 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CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)n1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000020617708 195189547 /nfs/dbraw/zinc/18/95/47/195189547.db2.gz YVXBVKNXWJCCCF-GOSISDBHSA-N 0 0 464.478 3.268 50 0 JGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(CN4CCOCC4)cc3)c(=O)oc2c1 ZINC000020622738 195190347 /nfs/dbraw/zinc/19/03/47/195190347.db2.gz HTXOLNQNWPEPSO-UHFFFAOYSA-N 0 0 452.507 3.132 50 0 JGAARN COc1cc2oc(=O)c(CC(=O)N3CCN(CCc4ccccn4)CC3)c(C)c2cc1Cl ZINC000020649983 195195684 /nfs/dbraw/zinc/19/56/84/195195684.db2.gz PJFZBXLKMSQIQW-UHFFFAOYSA-N 0 0 455.942 3.088 50 0 JGAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020676173 195200728 /nfs/dbraw/zinc/20/07/28/195200728.db2.gz WSXQOYBFTKHHOM-RMKNXTFCSA-N 0 0 457.578 3.093 50 0 biogenic JGAARN O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000020677456 195202316 /nfs/dbraw/zinc/20/23/16/195202316.db2.gz FPWLEYWBGWSKES-SANMLTNESA-N 0 0 476.577 3.113 50 0 JGAARN 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/nfs/dbraw/zinc/25/04/06/195250406.db2.gz TVFYZBYHOIJIQG-VWLOTQADSA-N 0 0 487.597 3.379 50 0 JGAARN Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NCCC(C)C)c1C ZINC000020929376 195250650 /nfs/dbraw/zinc/25/06/50/195250650.db2.gz NGMWDAXEGJNAMT-RUZDIDTESA-N 0 0 471.623 3.262 50 0 JGAARN CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)OC)C(=O)CS3)c2cc(Cl)ccc2O1 ZINC000020935724 195252880 /nfs/dbraw/zinc/25/28/80/195252880.db2.gz HSRJBCPVZSQBRZ-AWEZNQCLSA-N 0 0 496.994 3.318 50 0 JGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1CC(F)(F)F ZINC000020936459 195253148 /nfs/dbraw/zinc/25/31/48/195253148.db2.gz KODYXPINPCDJNI-MEDUHNTESA-N 0 0 462.881 3.333 50 0 JGAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCC2)O3)cc1Cl ZINC000020989696 195261689 /nfs/dbraw/zinc/26/16/89/195261689.db2.gz NZKRMCFUIHJGGH-HXUWFJFHSA-N 0 0 466.943 3.302 50 0 JGAARN CC=C1C(NCC(=O)NCc2ccc(OCC)c(OC)c2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020992519 195262499 /nfs/dbraw/zinc/26/24/99/195262499.db2.gz 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457.943 3.203 50 0 JGAARN Cc1oc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c2c1c(C)n[nH]c2=O ZINC000008861864 554759333 /nfs/dbraw/zinc/75/93/33/554759333.db2.gz RVBOLGUSBHZWOT-UHFFFAOYSA-N 0 0 450.524 3.381 50 0 JGAARN O=C(CCc1nc(-c2cccs2)no1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008862254 554759946 /nfs/dbraw/zinc/75/99/46/554759946.db2.gz WHHHORRSTIPRSH-UHFFFAOYSA-N 0 0 473.514 3.258 50 0 JGAARN CC[C@@H]1CCc2sc(C(=O)OCc3cc(=O)c4c(C)nn([C@H]5CCS(=O)(=O)C5)c4[nH]3)cc2C1 ZINC000008862428 554760399 /nfs/dbraw/zinc/76/03/99/554760399.db2.gz RFBSQBXDEPAFSS-PBHICJAKSA-N 0 0 489.619 3.326 50 0 JGAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000008869699 554763544 /nfs/dbraw/zinc/76/35/44/554763544.db2.gz DCNVNVYDHMYOLG-FQEVSTJZSA-N 0 0 471.554 3.391 50 0 JGAARN CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccccc1 ZINC000008876183 554771242 /nfs/dbraw/zinc/77/12/42/554771242.db2.gz CKTRRGHLZIBSOV-DCLXLUIPSA-N 0 0 451.592 3.492 50 0 biogenic JGAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000008878734 554774322 /nfs/dbraw/zinc/77/43/22/554774322.db2.gz YMPSYSVKJKPJOD-SFHVURJKSA-N 0 0 487.559 3.339 50 0 JGAARN COc1cc2c(cc1OC)CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)CC2 ZINC000008879786 554775426 /nfs/dbraw/zinc/77/54/26/554775426.db2.gz ZOTWFLWEYQDTGC-IBGZPJMESA-N 0 0 466.563 3.478 50 0 biogenic JGAARN CCc1c(Br)c(=O)oc2cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)ccc21 ZINC000008879859 554775431 /nfs/dbraw/zinc/77/54/31/554775431.db2.gz LJFZGVSQALSNRY-CABCVRRESA-N 0 0 499.361 3.304 50 0 biogenic JGAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1 ZINC000008880192 554775626 /nfs/dbraw/zinc/77/56/26/554775626.db2.gz YFHXPONFHMIXMR-JLTOFOAXSA-N 0 0 495.985 3.172 50 0 JGAARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)N1CCC(Cc2ccccc2)CC1 ZINC000008881487 554776681 /nfs/dbraw/zinc/77/66/81/554776681.db2.gz ILYXHTBSQYMVQU-UHFFFAOYSA-N 0 0 451.592 3.352 50 0 JGAARN Cc1cc(C)n2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)nc2n1 ZINC000008883547 554778231 /nfs/dbraw/zinc/77/82/31/554778231.db2.gz LFSGNQUGXFFFFI-UHFFFAOYSA-N 0 0 495.030 3.300 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2I)cc1 ZINC000008883800 554778390 /nfs/dbraw/zinc/77/83/90/554778390.db2.gz VEWWXMIIIOLEOV-KRWDZBQOSA-N 0 0 470.332 3.391 50 0 JGAARN O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000008884142 554778634 /nfs/dbraw/zinc/77/86/34/554778634.db2.gz YQLBVDHPEUFGJD-OAHLLOKOSA-N 0 0 465.593 3.459 50 0 JGAARN C[C@H]1CCCC[C@@H]1n1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1cccnc1 ZINC000008886744 554779066 /nfs/dbraw/zinc/77/90/66/554779066.db2.gz FUEJURUENAGVEU-WMZOPIPTSA-N 0 0 497.625 3.469 50 0 JGAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(C)Cc2ccccc2Br)C1=O ZINC000008891729 554780149 /nfs/dbraw/zinc/78/01/49/554780149.db2.gz GKXDGAXRBUIIGC-OAQYLSRUSA-N 0 0 462.319 3.404 50 0 JGAARN C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000008895606 554785103 /nfs/dbraw/zinc/78/51/03/554785103.db2.gz NTMPXIUDBKWLLX-CRAIPNDOSA-N 0 0 452.536 3.439 50 0 JGAARN O=C(COCc1nc2ccccc2s1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008896300 554785902 /nfs/dbraw/zinc/78/59/02/554785902.db2.gz WLKYOFPZBLOQPE-UHFFFAOYSA-N 0 0 472.526 3.340 50 0 JGAARN O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008897678 554787997 /nfs/dbraw/zinc/78/79/97/554787997.db2.gz XBENLQHDIMVKRM-UHFFFAOYSA-N 0 0 497.548 3.360 50 0 JGAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000008898141 554788396 /nfs/dbraw/zinc/78/83/96/554788396.db2.gz JBJYJGXWFIOJFW-SFHVURJKSA-N 0 0 492.573 3.076 50 0 JGAARN CC(C)Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)CCc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000008898787 554789428 /nfs/dbraw/zinc/78/94/28/554789428.db2.gz FAVMWSHCMMIUSO-NRFANRHFSA-N 0 0 487.604 3.202 50 0 JGAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008899837 554791177 /nfs/dbraw/zinc/79/11/77/554791177.db2.gz KCEBVDYAKXIWQK-INIZCTEOSA-N 0 0 452.521 3.492 50 0 JGAARN CCN(C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000008900449 554792968 /nfs/dbraw/zinc/79/29/68/554792968.db2.gz MZIMUZVCPNESLQ-UHFFFAOYSA-N 0 0 454.548 3.293 50 0 JGAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O ZINC000008900844 554793596 /nfs/dbraw/zinc/79/35/96/554793596.db2.gz PVNFPYDTFLJXHM-RUZDIDTESA-N 0 0 493.516 3.295 50 0 JGAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2cccnc2)s1 ZINC000008912461 554802664 /nfs/dbraw/zinc/80/26/64/554802664.db2.gz RGKGUXUQRZSXOS-UHFFFAOYSA-N 0 0 457.986 3.430 50 0 JGAARN COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)nc(C)n3C2CCCC2)CC1 ZINC000008912945 554804083 /nfs/dbraw/zinc/80/40/83/554804083.db2.gz VTFOUZZHJSIDJP-UHFFFAOYSA-N 0 0 462.616 3.013 50 0 JGAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000008917551 554812824 /nfs/dbraw/zinc/81/28/24/554812824.db2.gz FEXNDJDPFQWFKM-ZHRRBRCNSA-N 0 0 483.542 3.323 50 0 JGAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCn4ccnc4)CC(=O)N32)c1 ZINC000008918535 554815061 /nfs/dbraw/zinc/81/50/61/554815061.db2.gz IOWQGRRXZHHWQO-OZXSUGGESA-N 0 0 469.545 3.148 50 0 biogenic JGAARN Cc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008918694 554815586 /nfs/dbraw/zinc/81/55/86/554815586.db2.gz LMHFBTHVHZRIFX-UHFFFAOYSA-N 0 0 450.564 3.379 50 0 JGAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(Cc4ccc(F)cc4)o3)cc2)C1 ZINC000008921418 554818408 /nfs/dbraw/zinc/81/84/08/554818408.db2.gz QFGRWEQNBXZWBI-OAHLLOKOSA-N 0 0 458.515 3.472 50 0 JGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)COc1ccccc1Cc1ccccc1 ZINC000008924255 554821572 /nfs/dbraw/zinc/82/15/72/554821572.db2.gz NLGJKDNNGUWDHE-QHCPKHFHSA-N 0 0 481.618 3.488 50 0 JGAARN COc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)c1 ZINC000008927305 554824772 /nfs/dbraw/zinc/82/47/72/554824772.db2.gz PLXNWQXPSZQNTH-KRWDZBQOSA-N 0 0 463.442 3.286 50 0 JGAARN CCOC(=O)c1cccc(NC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000008931773 554826081 /nfs/dbraw/zinc/82/60/81/554826081.db2.gz LMQGDRFREAOFBZ-UHFFFAOYSA-N 0 0 462.506 3.267 50 0 JGAARN Cc1c(NC(=O)CSc2n[nH]c(COc3ccccc3C)n2)c(=O)n(-c2ccccc2)n1C ZINC000008937635 554830724 /nfs/dbraw/zinc/83/07/24/554830724.db2.gz NVARXMSRHSHMIO-UHFFFAOYSA-N 0 0 464.551 3.221 50 0 JGAARN CS(=O)(=O)c1ccc(C(=O)Nc2cccc(COC(=O)c3ccc(S(C)(=O)=O)cc3)c2)cc1 ZINC000008941393 554831956 /nfs/dbraw/zinc/83/19/56/554831956.db2.gz KIKLOHMHJBIHPJ-UHFFFAOYSA-N 0 0 487.555 3.103 50 0 JGAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000008965576 554840457 /nfs/dbraw/zinc/84/04/57/554840457.db2.gz FWIONXCMPCHKAM-IDISGSTGSA-N 0 0 469.497 3.383 50 0 JGAARN COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc(-c4ccc(OC)c(OC)c4)no3)C2=O)cc1 ZINC000008965932 554841374 /nfs/dbraw/zinc/84/13/74/554841374.db2.gz YOYMQEUGROBNSS-DEOSSOPVSA-N 0 0 466.494 3.206 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000008966117 554841947 /nfs/dbraw/zinc/84/19/47/554841947.db2.gz RAYPDTHHIWPHJA-UHFFFAOYSA-N 0 0 497.661 3.089 50 0 JGAARN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1c2cc(C)cc1Cl ZINC000008971230 554844033 /nfs/dbraw/zinc/84/40/33/554844033.db2.gz XSJZZPQIFFRAED-QSXKMRPSSA-N 0 0 464.349 3.455 50 0 JGAARN Cc1ccc(-c2c3c(c4n2CCO[C@@H]4c2coc4ccccc4c2=O)n(C)c(=O)n(C)c3=O)cc1 ZINC000008971375 554844049 /nfs/dbraw/zinc/84/40/49/554844049.db2.gz DQLVRIAWSHDDBU-RUZDIDTESA-N 0 0 469.497 3.240 50 0 JGAARN CN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008981627 554847095 /nfs/dbraw/zinc/84/70/95/554847095.db2.gz JTUZOCGMOMZOHM-UHFFFAOYSA-N 0 0 467.577 3.110 50 0 JGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1 ZINC000008984089 554848200 /nfs/dbraw/zinc/84/82/00/554848200.db2.gz LJLPEYPAHPFPKF-FOOJEKODSA-N 0 0 482.565 3.278 50 0 JGAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCCC3)n2)s1 ZINC000008985883 554849094 /nfs/dbraw/zinc/84/90/94/554849094.db2.gz CETNICFYTZZUGC-UHFFFAOYSA-N 0 0 452.627 3.192 50 0 JGAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O ZINC000008987074 554849733 /nfs/dbraw/zinc/84/97/33/554849733.db2.gz WEHLLHQIEXCWTI-JOCHJYFZSA-N 0 0 492.345 3.413 50 0 JGAARN Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C ZINC000008991438 554852666 /nfs/dbraw/zinc/85/26/66/554852666.db2.gz RSTXQIYSVIRHLU-UHFFFAOYSA-N 0 0 463.369 3.460 50 0 JGAARN COC(=O)c1ccc(OC)c(Cn2c3ccc(OC)cc3c3nc4n(c(=O)c32)CCS4)c1 ZINC000008994383 554854380 /nfs/dbraw/zinc/85/43/80/554854380.db2.gz HTPIFSWFDFQJNL-UHFFFAOYSA-N 0 0 451.504 3.309 50 0 JGAARN COc1ccc(-c2c3c(c4n2CCO[C@H]4c2cc(Cl)ccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000008995182 554855618 /nfs/dbraw/zinc/85/56/18/554855618.db2.gz TVCCOJQSNJDJMW-QFIPXVFZSA-N 0 0 467.909 3.193 50 0 JGAARN Cc1cccc2nc(CN(C3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c3ccc(C(C)C)cc3)cc(=O)n12 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C[C@@H](C(=O)N1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2ccsc2)CC1)N1CCOCC1 ZINC000020907776 195245565 /nfs/dbraw/zinc/24/55/65/195245565.db2.gz HGHUGSSZQMJFRR-GBXCKJPGSA-N 0 0 469.651 3.391 50 0 JGAARN CCOc1cccc(CN2CCc3c(C(=O)OC)c(OCCCc4cccnc4)cc(=O)n3CC2)c1 ZINC000020917874 195246850 /nfs/dbraw/zinc/24/68/50/195246850.db2.gz HDRYXSYTBBTXNU-UHFFFAOYSA-N 0 0 491.588 3.499 50 0 JGAARN COCCN1CCN(C(=O)c2sc3ncnc(NCCc4cccc(OC)c4)c3c2C)CC1 ZINC000020919000 195247126 /nfs/dbraw/zinc/24/71/26/195247126.db2.gz YWWXXBLUZNFSEB-UHFFFAOYSA-N 0 0 469.611 3.067 50 0 JGAARN CCc1nn2c(nc(COc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cc2=O)s1 ZINC000020859237 195232783 /nfs/dbraw/zinc/23/27/83/195232783.db2.gz WYABWJOYWBOCCI-UHFFFAOYSA-N 0 0 450.476 3.273 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000020860505 195233296 /nfs/dbraw/zinc/23/32/96/195233296.db2.gz XZXUUTSNLPCODW-QHCPKHFHSA-N 0 0 490.025 3.499 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NC2CCCCC2)cc1F 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COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc21 ZINC000020935673 195252441 /nfs/dbraw/zinc/25/24/41/195252441.db2.gz WIELBUXFDBSAFH-UHFFFAOYSA-N 0 0 460.455 3.118 50 0 JGAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccccc3Cl)CC2)no1 ZINC000020936362 195252895 /nfs/dbraw/zinc/25/28/95/195252895.db2.gz UFBJSTUHSGCYPY-UHFFFAOYSA-N 0 0 481.984 3.272 50 0 JGAARN Cc1cc2c(cc1S(=O)(=O)N(CCN1CCOCC1)Cc1ccco1)[nH]c1c2C(=O)CCC1 ZINC000020990338 195262219 /nfs/dbraw/zinc/26/22/19/195262219.db2.gz GSAGAOSPJWBCNM-UHFFFAOYSA-N 0 0 471.579 3.111 50 0 JGAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)ccc1Br ZINC000020994287 195263145 /nfs/dbraw/zinc/26/31/45/195263145.db2.gz IRJLWGVHTOXEDN-ZDUSSCGKSA-N 0 0 494.367 3.231 50 0 JGAARN C[C@H](CCc1ccccc1)NC(=O)CN1CCCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000020996639 195264624 /nfs/dbraw/zinc/26/46/24/195264624.db2.gz QOMYWEOVKOLHJO-GOSISDBHSA-N 0 0 450.004 3.230 50 0 JGAARN CC(C)NC(=O)c1cn(CCN2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nn1 ZINC000020997957 195265041 /nfs/dbraw/zinc/26/50/41/195265041.db2.gz WRBGCJIBOZOMMD-UHFFFAOYSA-N 0 0 456.978 3.148 50 0 JGAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000021011195 195266586 /nfs/dbraw/zinc/26/65/86/195266586.db2.gz BRPKQYSNVPEEBL-UHFFFAOYSA-N 0 0 472.474 3.282 50 0 JGAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4ccc(F)cc4)CC3)c(C)o2)cc1 ZINC000021020282 195267308 /nfs/dbraw/zinc/26/73/08/195267308.db2.gz PTVBJVCGCRTFEZ-UHFFFAOYSA-N 0 0 451.502 3.498 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1ccccc1Cl ZINC000021022714 195268171 /nfs/dbraw/zinc/26/81/71/195268171.db2.gz VYUALFJTEIYQFB-NRFANRHFSA-N 0 0 461.971 3.431 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)Nc1cccc(C)c1C ZINC000021022805 195268207 /nfs/dbraw/zinc/26/82/07/195268207.db2.gz AZILPCVPZDBJBT-QHCPKHFHSA-N 0 0 455.580 3.394 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000021022776 195268217 /nfs/dbraw/zinc/26/82/17/195268217.db2.gz 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O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(C(=O)c2ccco2)CC1 ZINC000021129417 195280930 /nfs/dbraw/zinc/28/09/30/195280930.db2.gz CAZGVIRYOWMPDY-UHFFFAOYSA-N 0 0 450.564 3.421 50 0 JGAARN COc1ccc(OC)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)c1 ZINC000021150154 195282168 /nfs/dbraw/zinc/28/21/68/195282168.db2.gz ALNRMENMRPAIHP-UHFFFAOYSA-N 0 0 470.323 3.475 50 0 JGAARN O=S(=O)(c1cccc2nsnc21)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000021151903 195283263 /nfs/dbraw/zinc/28/32/63/195283263.db2.gz JRAWEFGMLRLULA-UHFFFAOYSA-N 0 0 468.486 3.481 50 0 JGAARN O=C(c1ccccc1)N1c2ccccc2C[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021154987 195284612 /nfs/dbraw/zinc/28/46/12/195284612.db2.gz JNWJRRMFQVEXDW-XMMPIXPASA-N 0 0 469.541 3.331 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc4c(c3)CCN4C(=O)CC(C)C)cc2C[C@@H]1C ZINC000021157067 195285352 /nfs/dbraw/zinc/28/53/52/195285352.db2.gz MZZKDXWQOOJKKX-KRWDZBQOSA-N 0 0 469.607 3.398 50 0 JGAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000021159470 195286201 /nfs/dbraw/zinc/28/62/01/195286201.db2.gz GFHFNKOTXYNCCW-UHFFFAOYSA-N 0 0 461.610 3.058 50 0 JGAARN Cc1ccc(NC(=O)CSc2nnc(CCC(=O)N3CCCC3)c(=O)n2-c2ccccc2)cc1F ZINC000021161683 195287476 /nfs/dbraw/zinc/28/74/76/195287476.db2.gz LPDQQQDHNZJTFP-UHFFFAOYSA-N 0 0 495.580 3.361 50 0 JGAARN NC(=O)C1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000021162410 195287963 /nfs/dbraw/zinc/28/79/63/195287963.db2.gz XWSOGTUVEMUXFQ-UHFFFAOYSA-N 0 0 463.557 3.164 50 0 JGAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN(C)C)cc1 ZINC000021171495 195289408 /nfs/dbraw/zinc/28/94/08/195289408.db2.gz HJOXAESWVDUYJP-UHFFFAOYSA-N 0 0 479.649 3.481 50 0 JGAARN Cn1c2c(c(-c3ccccc3)n3c2[C@H](c2cc(Br)ccc2O)OCC3)c(=O)n(C)c1=O ZINC000021175986 195289841 /nfs/dbraw/zinc/28/98/41/195289841.db2.gz PYNHQMLWJBPINC-NRFANRHFSA-N 0 0 482.334 3.293 50 0 JGAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000021176795 195290443 /nfs/dbraw/zinc/29/04/43/195290443.db2.gz 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Cc1cc(OCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2c(c1)oc(=O)c1c2CCCC1 ZINC000008877203 554772556 /nfs/dbraw/zinc/77/25/56/554772556.db2.gz GVHPMBPTSHBPNN-MSOLQXFVSA-N 0 0 460.530 3.167 50 0 biogenic JGAARN Cc1c(O[C@H](C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc2c3c(c(=O)oc12)CCC3 ZINC000008878211 554773786 /nfs/dbraw/zinc/77/37/86/554773786.db2.gz JSYZERWPNWZGEH-KURKYZTESA-N 0 0 460.530 3.165 50 0 biogenic JGAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000008881553 554776693 /nfs/dbraw/zinc/77/66/93/554776693.db2.gz RQLKHVIQFKMPON-UHFFFAOYSA-N 0 0 452.824 3.109 50 0 JGAARN O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000008882109 554776841 /nfs/dbraw/zinc/77/68/41/554776841.db2.gz NJODFJIRVWCJHJ-WIYYLYMNSA-N 0 0 486.887 3.082 50 0 JGAARN COc1ccc(C(=O)OCCCn2c3ccccc3[nH]c2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000008882364 554777150 /nfs/dbraw/zinc/77/71/50/554777150.db2.gz SGQBKISINBNLQC-UHFFFAOYSA-N 0 0 487.578 3.150 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CSCc2c(C)noc2C)c1 ZINC000008883875 554778370 /nfs/dbraw/zinc/77/83/70/554778370.db2.gz HCOIKPNSQXGHLZ-UHFFFAOYSA-N 0 0 483.612 3.045 50 0 JGAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)ccc12 ZINC000008888524 554779880 /nfs/dbraw/zinc/77/98/80/554779880.db2.gz OCVRLHHKKHAZJG-QZTJIDSGSA-N 0 0 465.502 3.473 50 0 JGAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1-c1ccco1 ZINC000008899704 554790713 /nfs/dbraw/zinc/79/07/13/554790713.db2.gz IIROBERIBFRQDH-OAHLLOKOSA-N 0 0 475.596 3.462 50 0 JGAARN Nc1c(C(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008900097 554791977 /nfs/dbraw/zinc/79/19/77/554791977.db2.gz OJSJFJXDUUBNJJ-UHFFFAOYSA-N 0 0 459.531 3.281 50 0 JGAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000008901062 554793973 /nfs/dbraw/zinc/79/39/73/554793973.db2.gz CXQUUMXESFSNFQ-UHFFFAOYSA-N 0 0 491.635 3.206 50 0 JGAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000008901509 554794793 /nfs/dbraw/zinc/79/47/93/554794793.db2.gz RFXIFLLVTDWPJK-NRFANRHFSA-N 0 0 484.647 3.107 50 0 JGAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000008901992 554795735 /nfs/dbraw/zinc/79/57/35/554795735.db2.gz OITNEUQVAWWMNB-UHFFFAOYSA-N 0 0 477.546 3.048 50 0 JGAARN CCOc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)cc1 ZINC000008911625 554800747 /nfs/dbraw/zinc/80/07/47/554800747.db2.gz XKPYBJGEOYVYTF-UHFFFAOYSA-N 0 0 458.536 3.289 50 0 JGAARN CCN(CC)CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008912443 554802647 /nfs/dbraw/zinc/80/26/47/554802647.db2.gz SFSJYIPBRVVYFB-UHFFFAOYSA-N 0 0 466.050 3.177 50 0 JGAARN COCCNC(=O)c1c2c(sc1NC(=O)c1nn(-c3cccc(C)c3)ccc1=O)CCCC2 ZINC000008917368 554812450 /nfs/dbraw/zinc/81/24/50/554812450.db2.gz UXFLLZQJQVWVJM-UHFFFAOYSA-N 0 0 466.563 3.110 50 0 JGAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccnc4)CC(=O)N32)c1 ZINC000008918563 554815268 /nfs/dbraw/zinc/81/52/68/554815268.db2.gz SOJWHJVYEYLILC-HOFKKMOUSA-N 0 0 482.540 3.465 50 0 biogenic JGAARN O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000008918701 554815500 /nfs/dbraw/zinc/81/55/00/554815500.db2.gz REMDWQDHVYSWQZ-UHFFFAOYSA-N 0 0 492.045 3.060 50 0 JGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000008923268 554820453 /nfs/dbraw/zinc/82/04/53/554820453.db2.gz MSKDZMFXIRGPNZ-XMMPIXPASA-N 0 0 481.508 3.478 50 0 JGAARN C[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008923679 554820995 /nfs/dbraw/zinc/82/09/95/554820995.db2.gz UICUFRCFCBOWSM-KRWDZBQOSA-N 0 0 466.563 3.218 50 0 JGAARN COc1ccc(NC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c(OC)c1 ZINC000008931693 554825916 /nfs/dbraw/zinc/82/59/16/554825916.db2.gz AKJYRKBZPZQBGV-UHFFFAOYSA-N 0 0 450.495 3.107 50 0 JGAARN CC(C)Oc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1 ZINC000008930437 554825932 /nfs/dbraw/zinc/82/59/32/554825932.db2.gz MORVQCXXNBCWFB-UHFFFAOYSA-N 0 0 481.549 3.058 50 0 JGAARN COC[C@@H](C)NC(=O)COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000008937513 554830735 /nfs/dbraw/zinc/83/07/35/554830735.db2.gz KLEUZRCCFDYPOF-CQSZACIVSA-N 0 0 462.428 3.261 50 0 JGAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008940667 554831762 /nfs/dbraw/zinc/83/17/62/554831762.db2.gz LSJSCTYYLYAYPI-UHFFFAOYSA-N 0 0 490.947 3.233 50 0 JGAARN CC[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965244 554839472 /nfs/dbraw/zinc/83/94/72/554839472.db2.gz UBWDAYYHCYCPSQ-JOCHJYFZSA-N 0 0 487.560 3.333 50 0 JGAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000008965585 554840369 /nfs/dbraw/zinc/84/03/69/554840369.db2.gz HIKHRWLPBDBUDE-AREMUKBSSA-N 0 0 455.470 3.351 50 0 JGAARN CCn1c(CSc2nnc(Cc3csc(C)n3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008965670 554840538 /nfs/dbraw/zinc/84/05/38/554840538.db2.gz FDJISEDOOGFYRT-UHFFFAOYSA-N 0 0 478.625 3.338 50 0 JGAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008965762 554840826 /nfs/dbraw/zinc/84/08/26/554840826.db2.gz QZEYIOSMPWDHOC-XMMPIXPASA-N 0 0 493.585 3.207 50 0 JGAARN CCn1c(CSc2nnc(-c3ccco3)n2N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000008966171 554842106 /nfs/dbraw/zinc/84/21/06/554842106.db2.gz ACNORHFSGPBIEO-UHFFFAOYSA-N 0 0 487.611 3.088 50 0 JGAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)c1C ZINC000008966389 554842487 /nfs/dbraw/zinc/84/24/87/554842487.db2.gz WDFBTUQSCJXIOE-UHFFFAOYSA-N 0 0 464.588 3.157 50 0 JGAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000008968219 554842795 /nfs/dbraw/zinc/84/27/95/554842795.db2.gz RJEZHPPYBHBTEA-LJQANCHMSA-N 0 0 482.580 3.339 50 0 JGAARN COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c(OC)c1 ZINC000008973505 554844546 /nfs/dbraw/zinc/84/45/46/554844546.db2.gz GSWSFYKFNAAQAK-UHFFFAOYSA-N 0 0 481.940 3.157 50 0 JGAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008982570 554847339 /nfs/dbraw/zinc/84/73/39/554847339.db2.gz ZKGOCFXGKYINOO-SSOJOUAXSA-N 0 0 460.559 3.396 50 0 JGAARN COc1ccc(-c2c3c(c4n2CCO[C@@H]4c2cc(Cl)ccc2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000008995183 554855610 /nfs/dbraw/zinc/85/56/10/554855610.db2.gz TVCCOJQSNJDJMW-JOCHJYFZSA-N 0 0 467.909 3.193 50 0 JGAARN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008997776 554859440 /nfs/dbraw/zinc/85/94/40/554859440.db2.gz FUDKGLODQUCWBP-CVDCTZTESA-N 0 0 498.605 3.078 50 0 JGAARN O=S(=O)(CCc1ccccc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009006080 554860330 /nfs/dbraw/zinc/86/03/30/554860330.db2.gz IGDXJNSNDPVJCN-NRFANRHFSA-N 0 0 464.996 3.412 50 0 JGAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000009011179 554863957 /nfs/dbraw/zinc/86/39/57/554863957.db2.gz RJDWIHSOIVXNAI-CQSZACIVSA-N 0 0 475.457 3.218 50 0 JGAARN CC(C)c1ccc(-n2c(-c3ccc4c(c3)OCO4)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000009014996 554865496 /nfs/dbraw/zinc/86/54/96/554865496.db2.gz DUOUUCNGFDEJIU-UHFFFAOYSA-N 0 0 457.490 3.195 50 0 JGAARN Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000009014757 554865512 /nfs/dbraw/zinc/86/55/12/554865512.db2.gz FOJSXNWMKWFCHW-FQEVSTJZSA-N 0 0 479.577 3.254 50 0 JGAARN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000009021684 554866942 /nfs/dbraw/zinc/86/69/42/554866942.db2.gz KXVRDVOKKFDHFH-SWLSCSKDSA-N 0 0 466.947 3.430 50 0 JGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000009048019 554871031 /nfs/dbraw/zinc/87/10/31/554871031.db2.gz SXSWKOPCQYAECP-QHCPKHFHSA-N 0 0 498.626 3.341 50 0 JGAARN CCOC(=O)C1=C(COC(=O)CSCc2csc(C)n2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000009049758 554871443 /nfs/dbraw/zinc/87/14/43/554871443.db2.gz DROVSHNYMIHYHC-HXUWFJFHSA-N 0 0 491.591 3.108 50 0 JGAARN CCN(C(=O)[C@H](C)OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000009051037 554871931 /nfs/dbraw/zinc/87/19/31/554871931.db2.gz RTZBGGMABWRUPV-UWJYYQICSA-N 0 0 497.573 3.293 50 0 JGAARN O=C(c1cc2ccccc2[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000009050961 554872028 /nfs/dbraw/zinc/87/20/28/554872028.db2.gz YHRDDKLSQZQVQY-UHFFFAOYSA-N 0 0 499.898 3.347 50 0 JGAARN O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1cccc(Cl)c1 ZINC000009052270 554872643 /nfs/dbraw/zinc/87/26/43/554872643.db2.gz FVBHZVFKBMNXEB-UHFFFAOYSA-N 0 0 453.930 3.318 50 0 JGAARN COc1ccccc1-c1nc(SCC(=O)Nc2nc(C)c3c(n2)CC(C)(C)CC3=O)n[nH]1 ZINC000009054192 554873530 /nfs/dbraw/zinc/87/35/30/554873530.db2.gz SDCYHUQLESNIDM-UHFFFAOYSA-N 0 0 452.540 3.465 50 0 JGAARN O=C(Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccsc1 ZINC000009057930 554877159 /nfs/dbraw/zinc/87/71/59/554877159.db2.gz PPMMKLDATDHKDU-UHFFFAOYSA-N 0 0 473.551 3.286 50 0 JGAARN 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Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)SCC3)c1 ZINC000012140575 555918376 /nfs/dbraw/zinc/91/83/76/555918376.db2.gz BFAJWFMOMRNRRA-UHFFFAOYSA-N 0 0 466.588 3.327 50 0 JGAARN C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)n2)C[C@@H](C)O1 ZINC000022300258 555918836 /nfs/dbraw/zinc/91/88/36/555918836.db2.gz NQJULYOYXVFNMA-MBOZVWFJSA-N 0 0 468.579 3.325 50 0 JGAARN COc1cccc(-n2c(=O)c3c(nc2SCC(=O)NCc2ccc4c(c2)OCO4)CCS3)c1 ZINC000012140652 555918907 /nfs/dbraw/zinc/91/89/07/555918907.db2.gz RXFQXGFTIYGYEK-UHFFFAOYSA-N 0 0 483.571 3.027 50 0 JGAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015612364 555918930 /nfs/dbraw/zinc/91/89/30/555918930.db2.gz MEJKSSHOWDRRIA-GOSISDBHSA-N 0 0 464.559 3.292 50 0 JGAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc4c(c2)OCO4)CCS3)cc1OC ZINC000012140679 555918970 /nfs/dbraw/zinc/91/89/70/555918970.db2.gz QIPWULLSJFLESH-UHFFFAOYSA-N 0 0 499.570 3.357 50 0 JGAARN COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2nccs2)CCS3)cc1OC 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/nfs/dbraw/zinc/82/91/87/569829187.db2.gz BADVAYMICWBTOH-HSZRJFAPSA-N 0 0 484.622 3.005 50 0 JGAARN Cc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)c1C ZINC000040477169 569829679 /nfs/dbraw/zinc/82/96/79/569829679.db2.gz DGIXOPZXVFPKOI-UHFFFAOYSA-N 0 0 456.428 3.311 50 0 JGAARN COC(=O)[C@@H]1NC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000103118025 569832986 /nfs/dbraw/zinc/83/29/86/569832986.db2.gz FVNNKBFCBJZFDR-YTFSRNRJSA-N 0 0 492.478 3.168 50 0 JGAARN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)C1 ZINC000103289782 569834310 /nfs/dbraw/zinc/83/43/10/569834310.db2.gz TWNFURXVNWBYJD-YZIHRLCOSA-N 0 0 468.667 3.076 50 0 JGAARN COc1ccc(-c2cc(NC(=O)COc3ccccc3C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041024695 569834850 /nfs/dbraw/zinc/83/48/50/569834850.db2.gz MESXQHNSQARUQD-SFHVURJKSA-N 0 0 455.536 3.244 50 0 JGAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Cc5ccccc5)CC4)cc3=O)s2)c1 ZINC000041077554 569835506 /nfs/dbraw/zinc/83/55/06/569835506.db2.gz KKIITJUUQIZFRL-UHFFFAOYSA-N 0 0 459.575 3.013 50 0 JGAARN Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccc(F)cc5)CC4)cc3=O)s2)cc1 ZINC000041077523 569835524 /nfs/dbraw/zinc/83/55/24/569835524.db2.gz TYZZEPAGJKUYES-UHFFFAOYSA-N 0 0 463.538 3.224 50 0 JGAARN COC(=O)c1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 ZINC000041086083 569837068 /nfs/dbraw/zinc/83/70/68/569837068.db2.gz TXNWOXAGCXSNLE-UHFFFAOYSA-N 0 0 468.520 3.269 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)cc2C[C@H]1C ZINC000103712691 569837334 /nfs/dbraw/zinc/83/73/34/569837334.db2.gz MMDCAOOYCCTGSP-DRSNIGMVSA-N 0 0 461.628 3.080 50 0 JGAARN Cc1cc2nc(COC(=O)c3cccc(NC(=O)COc4ccccc4F)c3C)cc(=O)n2o1 ZINC000041089650 569837389 /nfs/dbraw/zinc/83/73/89/569837389.db2.gz UADPTPDDJSZQGV-UHFFFAOYSA-N 0 0 465.437 3.418 50 0 JGAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)c1 ZINC000103931027 569839416 /nfs/dbraw/zinc/83/94/16/569839416.db2.gz 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COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000046075451 569844167 /nfs/dbraw/zinc/84/41/67/569844167.db2.gz QHCOFXARFCQDJI-INIZCTEOSA-N 0 0 454.483 3.274 50 0 JGAARN O=C(Nc1cc(F)ccc1F)[C@@H]1CC(=O)Nc2nc(SCCc3ccccc3)[nH]c(=O)c21 ZINC000046075786 569844363 /nfs/dbraw/zinc/84/43/63/569844363.db2.gz JJIUMXOAZIZBDS-CQSZACIVSA-N 0 0 456.474 3.447 50 0 JGAARN C[C@H](NC(=O)CN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1Cl ZINC000048289874 569845546 /nfs/dbraw/zinc/84/55/46/569845546.db2.gz ASNULUGNVXLEMT-HNNXBMFYSA-N 0 0 487.428 3.182 50 0 JGAARN COc1ccc([C@H](CNS(=O)(=O)c2cccc(-n3cnnn3)c2)c2c[nH]c3ccccc32)cc1 ZINC000048285960 569845560 /nfs/dbraw/zinc/84/55/60/569845560.db2.gz VXHHUKLKNVIZNO-QFIPXVFZSA-N 0 0 474.546 3.263 50 0 JGAARN O=C(Cn1c2ccccc2nc1SC(F)F)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000048312780 569845697 /nfs/dbraw/zinc/84/56/97/569845697.db2.gz FHMPCOWWXHBUSH-UHFFFAOYSA-N 0 0 470.505 3.212 50 0 JGAARN CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C ZINC000104938398 569847600 /nfs/dbraw/zinc/84/76/00/569847600.db2.gz SLZVRLHMTFVCNM-XMSQKQJNSA-N 0 0 457.571 3.174 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000104944415 569847676 /nfs/dbraw/zinc/84/76/76/569847676.db2.gz MUNPQXKPXBAOTK-WMZHIEFXSA-N 0 0 499.656 3.331 50 0 JGAARN CCCC(=O)OC[C@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000104989353 569848809 /nfs/dbraw/zinc/84/88/09/569848809.db2.gz WQOCNHWODKGVJB-JKSUJKDBSA-N 0 0 473.595 3.409 50 0 JGAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)C1=O ZINC000049580974 569849096 /nfs/dbraw/zinc/84/90/96/569849096.db2.gz ZWTDBCBJNQYGRY-XMMPIXPASA-N 0 0 474.546 3.340 50 0 JGAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000051316468 569850602 /nfs/dbraw/zinc/85/06/02/569850602.db2.gz RZKNAHVYXHFAJO-UHFFFAOYSA-N 0 0 479.518 3.010 50 0 JGAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000051316458 569850633 /nfs/dbraw/zinc/85/06/33/569850633.db2.gz HDLZXZAURXAEFN-UHFFFAOYSA-N 0 0 481.534 3.256 50 0 JGAARN CCOc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)N2CCOc3ccc(C)cc32)cc1 ZINC000051316476 569850752 /nfs/dbraw/zinc/85/07/52/569850752.db2.gz UFARFWIMEIVPNZ-UHFFFAOYSA-N 0 0 477.546 3.334 50 0 JGAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCc4ccc(Br)cc4)ncn3n2)c1 ZINC000051317119 569851316 /nfs/dbraw/zinc/85/13/16/569851316.db2.gz IMWJZGNNSXJJCZ-UHFFFAOYSA-N 0 0 466.339 3.254 50 0 JGAARN Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000105038203 569851423 /nfs/dbraw/zinc/85/14/23/569851423.db2.gz UCQJCSFYTSJELE-BJKOFHAPSA-N 0 0 458.574 3.373 50 0 JGAARN COC(=O)C1C(CN2CCN(c3ccc(Cl)cc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318405 569851742 /nfs/dbraw/zinc/85/17/42/569851742.db2.gz FGSREGUNSVOCKZ-JOCHJYFZSA-N 0 0 454.958 3.252 50 0 JGAARN COc1cccc([C@@H]2[C@@H](S(=O)(=O)NCc3cccc(C(F)(F)F)c3)CON2C)c1OC 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ZINC000012848283 195153219 /nfs/dbraw/zinc/15/32/19/195153219.db2.gz BOMRIHONUQLLQX-UHFFFAOYSA-N 0 0 458.440 3.200 50 0 JGAARN O=C(c1ccc(Cn2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012849469 195153882 /nfs/dbraw/zinc/15/38/82/195153882.db2.gz AJAUSTHLOGXXOI-UHFFFAOYSA-N 0 0 478.496 3.097 50 0 JGAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2F)o1 ZINC000012849637 195153998 /nfs/dbraw/zinc/15/39/98/195153998.db2.gz NNGGMLNIHZNDPD-UHFFFAOYSA-N 0 0 450.513 3.098 50 0 JGAARN CCN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012849794 195154239 /nfs/dbraw/zinc/15/42/39/195154239.db2.gz UENNXGOLBDQBOF-UHFFFAOYSA-N 0 0 484.043 3.355 50 0 JGAARN Cc1cc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)ccc1Br ZINC000012853121 195155831 /nfs/dbraw/zinc/15/58/31/195155831.db2.gz UZQIDNJUEZYCDC-OAHLLOKOSA-N 0 0 491.411 3.062 50 0 JGAARN O=S1(=O)CC[C@@H](N2CCN(c3ncnc4cc(-c5ccc(Br)cc5)sc43)CC2)C1 ZINC000012853826 195156134 /nfs/dbraw/zinc/15/61/34/195156134.db2.gz RAMZMSDEYMRACC-MRXNPFEDSA-N 0 0 493.452 3.430 50 0 JGAARN O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012854757 195156796 /nfs/dbraw/zinc/15/67/96/195156796.db2.gz MNRVLMBZKBFTLA-UHFFFAOYSA-N 0 0 455.580 3.155 50 0 JGAARN C[C@]12C(=O)N(c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012858112 195158523 /nfs/dbraw/zinc/15/85/23/195158523.db2.gz YYMIIEXYCJHFSN-QYBDOPJKSA-N 0 0 458.518 3.317 50 0 biogenic JGAARN C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012858791 195158822 /nfs/dbraw/zinc/15/88/22/195158822.db2.gz ZYPQRMWIDPVCLJ-KRWDZBQOSA-N 0 0 480.428 3.486 50 0 JGAARN CNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 ZINC000012867260 195161893 /nfs/dbraw/zinc/16/18/93/195161893.db2.gz GYKSSXZUDHOURI-LLVKDONJSA-N 0 0 490.632 3.430 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)C(=O)[C@]31C ZINC000012867565 195161942 /nfs/dbraw/zinc/16/19/42/195161942.db2.gz FBNICBOQSVVXBF-JOWUNHAKSA-N 0 0 452.555 3.295 50 0 biogenic JGAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cc12 ZINC000012868319 195162387 /nfs/dbraw/zinc/16/23/87/195162387.db2.gz PDWCCPGLNSQMFG-UHFFFAOYSA-N 0 0 472.514 3.109 50 0 JGAARN C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000012869320 195162721 /nfs/dbraw/zinc/16/27/21/195162721.db2.gz ITCLMJPJBNNLIO-CQSZACIVSA-N 0 0 456.296 3.238 50 0 JGAARN CCOc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1OCC ZINC000012869498 195162913 /nfs/dbraw/zinc/16/29/13/195162913.db2.gz JUBQRGNQFVDTRG-OAQYLSRUSA-N 0 0 456.495 3.091 50 0 JGAARN Cc1cccc(-c2nn(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)c(=S)n2C)c1 ZINC000012869764 195162954 /nfs/dbraw/zinc/16/29/54/195162954.db2.gz BOXVFFODRLLOAB-UHFFFAOYSA-N 0 0 457.625 3.032 50 0 JGAARN C[C@@H]1C(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000012869805 195162983 /nfs/dbraw/zinc/16/29/83/195162983.db2.gz RRKAMSILHXTKQD-CQSZACIVSA-N 0 0 451.424 3.176 50 0 JGAARN C[C@H]1C(=O)N(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000012869796 195162990 /nfs/dbraw/zinc/16/29/90/195162990.db2.gz RRKAMSILHXTKQD-AWEZNQCLSA-N 0 0 451.424 3.176 50 0 JGAARN Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc12 ZINC000012872529 195164041 /nfs/dbraw/zinc/16/40/41/195164041.db2.gz CNKLCXMMGKEDEJ-UHFFFAOYSA-N 0 0 473.407 3.397 50 0 JGAARN C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012873695 195164834 /nfs/dbraw/zinc/16/48/34/195164834.db2.gz RXTRTNQXCHNARZ-UGSOOPFHSA-N 0 0 453.520 3.185 50 0 JGAARN O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1I ZINC000012875320 195165620 /nfs/dbraw/zinc/16/56/20/195165620.db2.gz ACJWPNWQKICRJI-UHFFFAOYSA-N 0 0 479.318 3.286 50 0 JGAARN CN(CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1)C1=NS(=O)(=O)c2ccccc21 ZINC000012876456 195166386 /nfs/dbraw/zinc/16/63/86/195166386.db2.gz MWRIOTFJWWLEDS-QGZVFWFLSA-N 0 0 454.577 3.431 50 0 JGAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012877884 195167068 /nfs/dbraw/zinc/16/70/68/195167068.db2.gz SPILWWZLNKZQBA-GASCZTMLSA-N 0 0 491.437 3.442 50 0 JGAARN O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012881417 195168715 /nfs/dbraw/zinc/16/87/15/195168715.db2.gz KOIYDJATWVAXTC-UHFFFAOYSA-N 0 0 476.357 3.227 50 0 JGAARN CCCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc2c1=O ZINC000012883815 195169760 /nfs/dbraw/zinc/16/97/60/195169760.db2.gz DHCBXBLXXHAPTP-UHFFFAOYSA-N 0 0 486.619 3.322 50 0 JGAARN COc1ccc(Br)cc1CN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000012884524 195170064 /nfs/dbraw/zinc/17/00/64/195170064.db2.gz XAKZFQWEDZTZGO-OAQYLSRUSA-N 0 0 478.318 3.022 50 0 JGAARN O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012885330 195170256 /nfs/dbraw/zinc/17/02/56/195170256.db2.gz BKRWKRIMSJFMLG-UHFFFAOYSA-N 0 0 466.559 3.070 50 0 JGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012886460 195170711 /nfs/dbraw/zinc/17/07/11/195170711.db2.gz ZZMRJEFIRSRUPQ-OAHLLOKOSA-N 0 0 455.458 3.348 50 0 JGAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1 ZINC000012886944 195170730 /nfs/dbraw/zinc/17/07/30/195170730.db2.gz RGSGVOVVPDDWFT-UHFFFAOYSA-N 0 0 457.426 3.420 50 0 JGAARN COc1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc(OC)c1OC ZINC000012900044 195177105 /nfs/dbraw/zinc/17/71/05/195177105.db2.gz XEQNXPOYWCMLAU-UHFFFAOYSA-N 0 0 453.495 3.166 50 0 biogenic JGAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl ZINC000012889071 195171830 /nfs/dbraw/zinc/17/18/30/195171830.db2.gz VIVDGNVRSKKMPF-HNNXBMFYSA-N 0 0 464.971 3.389 50 0 JGAARN O=C(c1c[nH]c2ccc(Br)cc12)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012890859 195172893 /nfs/dbraw/zinc/17/28/93/195172893.db2.gz WTBKVYHDLJWWEO-UHFFFAOYSA-N 0 0 466.332 3.216 50 0 JGAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000012897444 195175871 /nfs/dbraw/zinc/17/58/71/195175871.db2.gz HWJVAQSJQOBRHW-UHFFFAOYSA-N 0 0 468.460 3.464 50 0 JGAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1 ZINC000012862761 195160085 /nfs/dbraw/zinc/16/00/85/195160085.db2.gz KBXHEMMFQNZOIG-UHFFFAOYSA-N 0 0 483.468 3.427 50 0 JGAARN Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Br)c1 ZINC000012863047 195160212 /nfs/dbraw/zinc/16/02/12/195160212.db2.gz HDEYZBPNPQIZKC-MDZDMXLPSA-N 0 0 463.397 3.445 50 0 JGAARN Cc1cc(Br)ccc1SCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012898795 195176613 /nfs/dbraw/zinc/17/66/13/195176613.db2.gz TVIQMCFPYPGIEL-UHFFFAOYSA-N 0 0 499.452 3.187 50 0 JGAARN CCOC(Cn1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O)OCC ZINC000020643871 195194476 /nfs/dbraw/zinc/19/44/76/195194476.db2.gz KIMSNLWDNZKEGG-UHFFFAOYSA-N 0 0 455.580 3.247 50 0 JGAARN CN(CC(=O)Nc1ccccc1Br)C(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000012901282 195177556 /nfs/dbraw/zinc/17/75/56/195177556.db2.gz WUSYHQPMEZLFLH-UHFFFAOYSA-N 0 0 452.736 3.320 50 0 JGAARN COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3cc(OC)c(OC)cc3oc1=O)CC2 ZINC000012901132 195177602 /nfs/dbraw/zinc/17/76/02/195177602.db2.gz RJOYFUAGCNZYKF-UHFFFAOYSA-N 0 0 453.491 3.263 50 0 biogenic JGAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2ccc(Cl)cc12 ZINC000012903091 195178336 /nfs/dbraw/zinc/17/83/36/195178336.db2.gz KYDWFCDDGBDFIM-UHFFFAOYSA-N 0 0 486.903 3.102 50 0 JGAARN COc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc2c1OCCO2 ZINC000012903664 195178613 /nfs/dbraw/zinc/17/86/13/195178613.db2.gz QRBCCTDFKYLDGY-GORDUTHDSA-N 0 0 466.490 3.086 50 0 JGAARN COc1ccc(NC(=O)COc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2OC)cc1 ZINC000012904920 195179089 /nfs/dbraw/zinc/17/90/89/195179089.db2.gz LHYULPLVNUZSTP-HXUWFJFHSA-N 0 0 478.501 3.291 50 0 JGAARN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012905466 195179620 /nfs/dbraw/zinc/17/96/20/195179620.db2.gz LQNPUHXLEPRPRE-AWEZNQCLSA-N 0 0 459.549 3.277 50 0 JGAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012905458 195179642 /nfs/dbraw/zinc/17/96/42/195179642.db2.gz DHGHMZUOQDACOA-UHFFFAOYSA-N 0 0 474.583 3.333 50 0 JGAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cccc(Cl)c1 ZINC000012906942 195180004 /nfs/dbraw/zinc/18/00/04/195180004.db2.gz QOTFRHLBXPACGR-HNNXBMFYSA-N 0 0 464.971 3.389 50 0 JGAARN COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2=O)cc1OC ZINC000020605524 195181100 /nfs/dbraw/zinc/18/11/00/195181100.db2.gz ZYZSYLVVJHMKRS-UHFFFAOYSA-N 0 0 469.803 3.468 50 0 JGAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1nn(Cc2ccccc2)cc1Cl ZINC000020607337 195181544 /nfs/dbraw/zinc/18/15/44/195181544.db2.gz WADOSXBABILSPL-UHFFFAOYSA-N 0 0 459.897 3.119 50 0 JGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 ZINC000020614715 195187073 /nfs/dbraw/zinc/18/70/73/195187073.db2.gz IHVOIEKESBLRFF-LJQANCHMSA-N 0 0 487.628 3.281 50 0 JGAARN O=c1c2sc3nc(N4CCOCC4)c4c(c3c2nnn1Cc1ccccc1Cl)CCC4 ZINC000020676595 195201216 /nfs/dbraw/zinc/20/12/16/195201216.db2.gz UWYBUSRTDDJXTB-UHFFFAOYSA-N 0 0 453.955 3.428 50 0 JGAARN 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CC(C)c1cccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C(=O)NC5CC5)C4)sc3c2=O)c1 ZINC000033141551 519841946 /nfs/dbraw/zinc/84/19/46/519841946.db2.gz IPDPWRJVJBTTSJ-QGZVFWFLSA-N 0 0 494.621 3.110 50 0 JGAARN CCCNC(=O)C1CCN(c2ccc(SCC(=O)Nc3ccccc3OCC)nn2)CC1 ZINC000065315282 519867626 /nfs/dbraw/zinc/86/76/26/519867626.db2.gz LSTIMOZXSVCGNC-UHFFFAOYSA-N 0 0 457.600 3.349 50 0 JGAARN CCCC(=O)OC[C@H](O)CN(Cc1ccco1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156625 519881166 /nfs/dbraw/zinc/88/11/66/519881166.db2.gz LTGZYNBRFUUBOW-OAHLLOKOSA-N 0 0 459.568 3.163 50 0 JGAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(CC)c3)c2=O)cc1 ZINC000045899520 519881880 /nfs/dbraw/zinc/88/18/80/519881880.db2.gz WIJYBSBIMSJIEV-UHFFFAOYSA-N 0 0 498.583 3.422 50 0 JGAARN CCCNC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036122316 519883112 /nfs/dbraw/zinc/88/31/12/519883112.db2.gz URTRMVYTMGKIDA-NRFANRHFSA-N 0 0 475.611 3.330 50 0 JGAARN CCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(OC)c2)CC1 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CC(C)n1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000021656021 519920040 /nfs/dbraw/zinc/92/00/40/519920040.db2.gz ANSLQZPJNIGHSN-UHFFFAOYSA-N 0 0 463.510 3.108 50 0 JGAARN CC(C)n1c(=O)cc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)n(C(C)C)c1=O ZINC000065024477 519920367 /nfs/dbraw/zinc/92/03/67/519920367.db2.gz YNLAHMDIUOHJSD-UHFFFAOYSA-N 0 0 477.403 3.287 50 0 JGAARN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O ZINC000065138095 519924674 /nfs/dbraw/zinc/92/46/74/519924674.db2.gz FOEJGWXRQCPGTL-JOCHJYFZSA-N 0 0 496.633 3.362 50 0 JGAARN CC(C)n1c2ccc(S(=O)(=O)N3CCCC3)cc2n(CC(=O)NC2CCCCCC2)c1=O ZINC000065138056 519925689 /nfs/dbraw/zinc/92/56/89/519925689.db2.gz AYTFYVDZTPGHTN-UHFFFAOYSA-N 0 0 462.616 3.007 50 0 JGAARN CC(C)n1cc(C(=O)NC[C@H]2OCCc3ccccc32)c(=O)c(C(=O)N2CCC(C)CC2)c1 ZINC000012244876 519941655 /nfs/dbraw/zinc/94/16/55/519941655.db2.gz ARGYIUINLFNOLZ-HSZRJFAPSA-N 0 0 451.567 3.345 50 0 JGAARN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)c1 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DLVLFKNZPJXRQS-VGSWGCGISA-N 0 0 454.596 3.438 50 0 JGAARN CCOC(=O)C1=C(COC(=O)C=Cc2c(C)nn(Cc3ccccc3Cl)c2C)NC(=O)N[C@@H]1C ZINC000033527792 520518916 /nfs/dbraw/zinc/51/89/16/520518916.db2.gz UDFQDKLSOMFGIL-JQPIKURYSA-N 0 0 486.956 3.277 50 0 JGAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000036083657 520523786 /nfs/dbraw/zinc/52/37/86/520523786.db2.gz MSOVGIVIEVTDAS-HSZRJFAPSA-N 0 0 468.506 3.499 50 0 JGAARN CCOC(=O)C1=C(COc2ccc(C(C)=O)cc2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036083840 520524026 /nfs/dbraw/zinc/52/40/26/520524026.db2.gz FUBAXYATSRWXMO-QHCPKHFHSA-N 0 0 468.506 3.499 50 0 JGAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036148093 520525170 /nfs/dbraw/zinc/52/51/70/520525170.db2.gz DCFJTFWAUFIEIW-QHCPKHFHSA-N 0 0 469.557 3.354 50 0 JGAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036210145 520525440 /nfs/dbraw/zinc/52/54/40/520525440.db2.gz MKJXZMYKPOVOMT-QHCPKHFHSA-N 0 0 469.557 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CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Cl)s3)=C2C(=O)OC)cc1 ZINC000010273564 555668164 /nfs/dbraw/zinc/66/81/64/555668164.db2.gz USIWNGHNZYZHGS-QGZVFWFLSA-N 0 0 470.956 3.055 50 0 JGAARN Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)N(c1ccc(F)c(F)c1)C(=O)CS2(=O)=O ZINC000010273669 555668418 /nfs/dbraw/zinc/66/84/18/555668418.db2.gz KKIBBZJAZUQMPE-XMMPIXPASA-N 0 0 468.481 3.434 50 0 JGAARN COc1ccc(C=O)cc1Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccccc2Cl)c1=O ZINC000020151573 555668506 /nfs/dbraw/zinc/66/85/06/555668506.db2.gz FFVVVYZKDGXYLY-UHFFFAOYSA-N 0 0 497.960 3.064 50 0 JGAARN COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3ccccc3OC)c2=O)c(OC)c1 ZINC000020151682 555668572 /nfs/dbraw/zinc/66/85/72/555668572.db2.gz SCAIPWQKFYUVEH-UHFFFAOYSA-N 0 0 495.557 3.495 50 0 JGAARN Cc1cccc(CN2c3ccccc3[C@]3(C2=O)N(c2ccc(F)cc2)C(=O)CS3(=O)=O)c1 ZINC000010273761 555668908 /nfs/dbraw/zinc/66/89/08/555668908.db2.gz YCWKUAKTQAHDHM-DEOSSOPVSA-N 0 0 450.491 3.295 50 0 JGAARN CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(=O)NC3CCCCC3)c2=O)CC1 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O=C(NCCN1CCOCC1)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000015659629 555922714 /nfs/dbraw/zinc/92/27/14/555922714.db2.gz WSPUMRCUUPIUAG-UHFFFAOYSA-N 0 0 471.842 3.270 50 0 JGAARN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 ZINC000012150766 555923119 /nfs/dbraw/zinc/92/31/19/555923119.db2.gz QSRVBPANNWATOH-SFHVURJKSA-N 0 0 454.600 3.129 50 0 JGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)nc1 ZINC000022343842 555923506 /nfs/dbraw/zinc/92/35/06/555923506.db2.gz FQCQBNPAMXOSIZ-UHFFFAOYSA-N 0 0 450.564 3.259 50 0 JGAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1C ZINC000015669245 555923572 /nfs/dbraw/zinc/92/35/72/555923572.db2.gz RHKAHEPPEIVTND-UHFFFAOYSA-N 0 0 480.590 3.259 50 0 JGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000022356010 555924095 /nfs/dbraw/zinc/92/40/95/555924095.db2.gz YAKGZWINKGQZIF-IBGZPJMESA-N 0 0 484.647 3.130 50 0 JGAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 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/nfs/dbraw/zinc/94/48/29/555944829.db2.gz SOTXWLUIWWBVFJ-UHFFFAOYSA-N 0 0 466.538 3.069 50 0 JGAARN Cc1cc(Cl)ccc1N1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015680142 555947179 /nfs/dbraw/zinc/94/71/79/555947179.db2.gz BLJRMZXOFQSWIR-QFIPXVFZSA-N 0 0 470.035 3.244 50 0 JGAARN Cc1ccc(CNC(=O)[C@@]2(C)CN(S(=O)(=O)c3ccccc3)CC(=O)N2c2ccc(F)cc2)cc1 ZINC000015680284 555947900 /nfs/dbraw/zinc/94/79/00/555947900.db2.gz AHAPGURZCFVBOZ-AREMUKBSSA-N 0 0 495.576 3.247 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N3CCCCCC3)C2)CC1 ZINC000015680882 555949537 /nfs/dbraw/zinc/94/95/37/555949537.db2.gz IDKXUZPQGDKWKU-HXUWFJFHSA-N 0 0 483.078 3.130 50 0 JGAARN COc1cc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC ZINC000015704561 555952454 /nfs/dbraw/zinc/95/24/54/555952454.db2.gz HBEWMZXNVBXONX-LLVKDONJSA-N 0 0 482.411 3.262 50 0 JGAARN CN1C(=O)c2cc(C(=O)NC3CCCCCCC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000015723901 555958943 /nfs/dbraw/zinc/95/89/43/555958943.db2.gz 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CCCCn1c2nc(CCC(=O)N(C)CCOc3ccccc3C)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000027159465 556274716 /nfs/dbraw/zinc/27/47/16/556274716.db2.gz YWJASHAXEWCBAL-UHFFFAOYSA-N 0 0 483.613 3.121 50 0 JGAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000018003698 556274972 /nfs/dbraw/zinc/27/49/72/556274972.db2.gz BMPCKRUOKYSAAU-UHFFFAOYSA-N 0 0 471.510 3.346 50 0 JGAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000018004101 556275400 /nfs/dbraw/zinc/27/54/00/556275400.db2.gz NDSDPXJWXQGANL-SFHVURJKSA-N 0 0 481.574 3.445 50 0 JGAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000013075110 556276425 /nfs/dbraw/zinc/27/64/25/556276425.db2.gz SFLGJYDXVDUTLB-OAHLLOKOSA-N 0 0 490.559 3.421 50 0 JGAARN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC[C@H](c1ccco1)N1CCCC1 ZINC000027333456 556276495 /nfs/dbraw/zinc/27/64/95/556276495.db2.gz XBBZRDDEZAULFE-OAHLLOKOSA-N 0 0 458.609 3.253 50 0 JGAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013075343 556276657 /nfs/dbraw/zinc/27/66/57/556276657.db2.gz QNKVTXPQQJQUGU-UHFFFAOYSA-N 0 0 493.651 3.371 50 0 JGAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000027419381 556278049 /nfs/dbraw/zinc/27/80/49/556278049.db2.gz GZFBFJXWJJTTGQ-CLOONOSVSA-N 0 0 485.487 3.257 50 0 JGAARN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O ZINC000027419391 556278145 /nfs/dbraw/zinc/27/81/45/556278145.db2.gz GZFBFJXWJJTTGQ-DFBJGRDBSA-N 0 0 485.487 3.257 50 0 JGAARN O=C([C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000027474409 556280106 /nfs/dbraw/zinc/28/01/06/556280106.db2.gz KADVNODRYRHKEU-GOSISDBHSA-N 0 0 482.389 3.223 50 0 JGAARN CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018069431 556283573 /nfs/dbraw/zinc/28/35/73/556283573.db2.gz CNTGPTKFDIXGIT-PKFSMUTISA-N 0 0 458.558 3.152 50 0 JGAARN 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C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000018124473 556291248 /nfs/dbraw/zinc/29/12/48/556291248.db2.gz OPUIRHIDKIKKRY-HNNXBMFYSA-N 0 0 450.520 3.490 50 0 JGAARN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000027538809 556294196 /nfs/dbraw/zinc/29/41/96/556294196.db2.gz MVTRELMJHQCJJI-YWZLYKJASA-N 0 0 463.456 3.017 50 0 JGAARN Cc1cc(OCCCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl ZINC000018151483 556294673 /nfs/dbraw/zinc/29/46/73/556294673.db2.gz BVXJKTDUBFWTML-UHFFFAOYSA-N 0 0 466.987 3.145 50 0 JGAARN COc1ccc([C@@H]2[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@@H]3ON2C)cc1 ZINC000018154112 556295032 /nfs/dbraw/zinc/29/50/32/556295032.db2.gz OFHVCFCZKMVWME-BRWVUGGUSA-N 0 0 484.862 3.146 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N(CCC(C)C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1 ZINC000013097866 556295440 /nfs/dbraw/zinc/29/54/40/556295440.db2.gz NINJTYTUJRKGPN-UHFFFAOYSA-N 0 0 489.638 3.226 50 0 JGAARN 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CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926754 569730009 /nfs/dbraw/zinc/73/00/09/569730009.db2.gz KQTPTBQWEYJDRL-HSZRJFAPSA-N 0 0 494.684 3.266 50 0 JGAARN Cc1ccccc1N1CCN(Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)CC1 ZINC000095926478 569730313 /nfs/dbraw/zinc/73/03/13/569730313.db2.gz RKUBAPBULCRGLE-UHFFFAOYSA-N 0 0 450.564 3.432 50 0 JGAARN COc1ccc(CN2CCN(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1 ZINC000095958425 569731767 /nfs/dbraw/zinc/73/17/67/569731767.db2.gz QZFKOFOMXKMTMO-LJAQVGFWSA-N 0 0 484.600 3.460 50 0 JGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)cc1 ZINC000035946891 569734009 /nfs/dbraw/zinc/73/40/09/569734009.db2.gz UPSDPXXMMFSMHJ-QFIPXVFZSA-N 0 0 484.622 3.005 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C1CC1 ZINC000035947034 569734191 /nfs/dbraw/zinc/73/41/91/569734191.db2.gz JKQMUZKHPUXYHA-JOCHJYFZSA-N 0 0 483.540 3.406 50 0 JGAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 ZINC000035947287 569734385 /nfs/dbraw/zinc/73/43/85/569734385.db2.gz BUGASJOBEDMDLA-HSZRJFAPSA-N 0 0 497.665 3.486 50 0 JGAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000035947279 569734390 /nfs/dbraw/zinc/73/43/90/569734390.db2.gz NBHQKVPDWCTKIC-RUZDIDTESA-N 0 0 495.599 3.176 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)COC ZINC000035947631 569734687 /nfs/dbraw/zinc/73/46/87/569734687.db2.gz CHFLCLMWPICCHV-QHCPKHFHSA-N 0 0 497.592 3.120 50 0 JGAARN COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2cc(C)on2)cc(OC)c1O ZINC000096115886 569734903 /nfs/dbraw/zinc/73/49/03/569734903.db2.gz XJXJORCCHALKLT-PGRDOPGGSA-N 0 0 464.430 3.344 50 0 biogenic JGAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035947862 569734956 /nfs/dbraw/zinc/73/49/56/569734956.db2.gz OMFZNMFZCUHWMY-OAQYLSRUSA-N 0 0 475.014 3.260 50 0 JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000035947967 569734983 /nfs/dbraw/zinc/73/49/83/569734983.db2.gz FJJOBGULJUCELA-QFIPXVFZSA-N 0 0 468.623 3.243 50 0 JGAARN CC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947882 569734985 /nfs/dbraw/zinc/73/49/85/569734985.db2.gz WBZXUXAAGRBNNE-OAQYLSRUSA-N 0 0 475.014 3.260 50 0 JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948011 569735102 /nfs/dbraw/zinc/73/51/02/569735102.db2.gz WOSGEDYEIWDBFG-VWLOTQADSA-N 0 0 498.574 3.459 50 0 JGAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)ccc1OCC(N)=O ZINC000096116171 569735161 /nfs/dbraw/zinc/73/51/61/569735161.db2.gz XHNPKGJXYIXEDX-RDGATRHJSA-N 0 0 486.480 3.197 50 0 biogenic JGAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CC1 ZINC000035948597 569735537 /nfs/dbraw/zinc/73/55/37/569735537.db2.gz SVSUTSPYKBGYHE-FQEVSTJZSA-N 0 0 471.579 3.328 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035948924 569735764 /nfs/dbraw/zinc/73/57/64/569735764.db2.gz SVRLDYFTZYQKJG-SFHVURJKSA-N 0 0 474.583 3.121 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)NC(C)C ZINC000035949028 569735909 /nfs/dbraw/zinc/73/59/09/569735909.db2.gz IFPLDRRMWZFBFX-SFHVURJKSA-N 0 0 472.567 3.221 50 0 JGAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1sccc1C ZINC000035949195 569736076 /nfs/dbraw/zinc/73/60/76/569736076.db2.gz AMJTWPZFIOLUKK-LJQANCHMSA-N 0 0 489.667 3.159 50 0 JGAARN Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCC[C@@H](c3nnc(-c4ccsc4)o3)C1)CS2 ZINC000096119096 569736156 /nfs/dbraw/zinc/73/61/56/569736156.db2.gz LGRFZJLQSYTDSC-GDBMZVCRSA-N 0 0 457.581 3.415 50 0 JGAARN COC(=O)/C=C\c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c(OC)c1 ZINC000096129914 569736298 /nfs/dbraw/zinc/73/62/98/569736298.db2.gz BLOAKDRHQFLKPI-YWEYNIOJSA-N 0 0 476.411 3.498 50 0 JGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cncnc3)c3c(c2OC)OCO3)CCN1C ZINC000096134191 569736364 /nfs/dbraw/zinc/73/63/64/569736364.db2.gz CTTBHBQKAAFDCP-RTWAWAEBSA-N 0 0 491.500 3.339 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000035960405 569736369 /nfs/dbraw/zinc/73/63/69/569736369.db2.gz MOMUMHKUHJFNNL-DEOSSOPVSA-N 0 0 465.550 3.267 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 ZINC000035961097 569736835 /nfs/dbraw/zinc/73/68/35/569736835.db2.gz SMSHQJJOBJCUKC-JOCHJYFZSA-N 0 0 453.539 3.267 50 0 JGAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccco3)C2)cc1C ZINC000035961266 569736997 /nfs/dbraw/zinc/73/69/97/569736997.db2.gz OZEZLTNFSKVNBD-DEOSSOPVSA-N 0 0 480.609 3.391 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl)C(=O)COC ZINC000035962065 569737488 /nfs/dbraw/zinc/73/74/88/569737488.db2.gz NEGYECZOJDZPHD-QFIPXVFZSA-N 0 0 473.957 3.148 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CC1 ZINC000035962691 569737661 /nfs/dbraw/zinc/73/76/61/569737661.db2.gz ASJPEAVMXSLYHX-HSZRJFAPSA-N 0 0 483.540 3.406 50 0 JGAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000035963117 569737822 /nfs/dbraw/zinc/73/78/22/569737822.db2.gz UNMFJXAOOYPAKZ-DEOSSOPVSA-N 0 0 482.581 3.450 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1)C(=O)NC(C)C ZINC000035963408 569737928 /nfs/dbraw/zinc/73/79/28/569737928.db2.gz GFAHQKYPTFUSPB-HSZRJFAPSA-N 0 0 452.555 3.439 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC ZINC000035963372 569737939 /nfs/dbraw/zinc/73/79/39/569737939.db2.gz UPZPDDQSQPCCLA-JOCHJYFZSA-N 0 0 468.554 3.059 50 0 JGAARN O=C(NCc1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccco1 ZINC000096210111 569737956 /nfs/dbraw/zinc/73/79/56/569737956.db2.gz CWMQBGMTRCTAMK-QFIPXVFZSA-N 0 0 491.519 3.209 50 0 JGAARN CCN1C2=C(C(=O)N([C@H](C(=O)N3CCOCC3)c3ccccc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035966348 569738415 /nfs/dbraw/zinc/73/84/15/569738415.db2.gz XATXJOYVAXQPBY-DQEYMECFSA-N 0 0 488.588 3.086 50 0 JGAARN COC(=O)c1nc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)sc1CCc1ccccc1 ZINC000096220941 569738505 /nfs/dbraw/zinc/73/85/05/569738505.db2.gz XBLRWGORGBRMBJ-SFHVURJKSA-N 0 0 492.557 3.184 50 0 biogenic JGAARN CCN1C2=C(C(=O)N(CCC(=O)NCC(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967566 569738717 /nfs/dbraw/zinc/73/87/17/569738717.db2.gz JWFRIKORAWAVDO-LJQANCHMSA-N 0 0 452.477 3.050 50 0 JGAARN CCN1C2=C(C(=O)N(CCC(=O)NCC(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035967564 569738725 /nfs/dbraw/zinc/73/87/25/569738725.db2.gz JWFRIKORAWAVDO-IBGZPJMESA-N 0 0 452.477 3.050 50 0 JGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1cc(OC)c(O)c(OC)c1 ZINC000096222505 569739686 /nfs/dbraw/zinc/73/96/86/569739686.db2.gz KJCGXFZOYYIFAE-MRXNPFEDSA-N 0 0 454.479 3.059 50 0 biogenic JGAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1)c1cccc(F)c1 ZINC000096280915 569740004 /nfs/dbraw/zinc/74/00/04/569740004.db2.gz IHKDLPMXHFHUKH-UHFFFAOYSA-N 0 0 477.496 3.399 50 0 JGAARN O=C(c1ccc(Br)o1)N1CCN(c2ccc(=O)n(-c3cccc(Cl)c3)n2)CC1 ZINC000096358593 569740327 /nfs/dbraw/zinc/74/03/27/569740327.db2.gz SQBZTDXDHQICNY-UHFFFAOYSA-N 0 0 463.719 3.204 50 0 JGAARN O=C(CCCn1c(=O)oc2ccccc21)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000096544246 569740767 /nfs/dbraw/zinc/74/07/67/569740767.db2.gz RYEHZSMBHWOCTN-XMHGGMMESA-N 0 0 469.494 3.367 50 0 JGAARN CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000096545188 569740859 /nfs/dbraw/zinc/74/08/59/569740859.db2.gz WUDSSATXZLESBI-AFRXXKALSA-N 0 0 475.636 3.070 50 0 JGAARN CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCCC3)C2)[C@H](c2ccc(OC)cc2)NC1=O ZINC000035979306 569741641 /nfs/dbraw/zinc/74/16/41/569741641.db2.gz PVNPPLJURODLOB-RDGATRHJSA-N 0 0 488.588 3.111 50 0 JGAARN CCOC(=O)NC(=O)C(=CNc1cc(Cl)c(Cl)cc1Cl)C(=O)NC(=O)OCC 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MSKBADCNXZPBMY-UHFFFAOYSA-N 0 0 481.578 3.489 50 0 JGAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=CC(=O)OCCN1C(=O)CNC1=O ZINC000012847722 195153120 /nfs/dbraw/zinc/15/31/20/195153120.db2.gz MBKJUHUDOWSGSZ-AATRIKPKSA-N 0 0 471.728 3.308 50 0 JGAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3N2)cc1 ZINC000012850263 195154201 /nfs/dbraw/zinc/15/42/01/195154201.db2.gz SORFIWQKLGNHPB-HOTGVXAUSA-N 0 0 487.910 3.267 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)CC2)cc1 ZINC000012853407 195155724 /nfs/dbraw/zinc/15/57/24/195155724.db2.gz VHCUUBGMLAMYIZ-UHFFFAOYSA-N 0 0 459.955 3.352 50 0 JGAARN CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1OCC ZINC000012853016 195155811 /nfs/dbraw/zinc/15/58/11/195155811.db2.gz JQXURAGBRWHPHO-KDURUIRLSA-N 0 0 490.622 3.254 50 0 JGAARN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3cccs3)n2)cc1 ZINC000012854722 195156681 /nfs/dbraw/zinc/15/66/81/195156681.db2.gz UCNHEFHCWMXJPS-GFCCVEGCSA-N 0 0 451.599 3.339 50 0 JGAARN C[C@]12C(=O)N(c3cccc(C(=O)NC[C@@H]4CCCO4)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012866759 195161602 /nfs/dbraw/zinc/16/16/02/195161602.db2.gz GKMDVMVXSOLSCD-QYBDOPJKSA-N 0 0 458.518 3.317 50 0 biogenic JGAARN COc1ccc([C@H]2N(C(=O)CN3CCCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867527 195161963 /nfs/dbraw/zinc/16/19/63/195161963.db2.gz ILJUMKYNKLVERG-VWLOTQADSA-N 0 0 471.623 3.411 50 0 JGAARN COc1ccc([C@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012867538 195161997 /nfs/dbraw/zinc/16/19/97/195161997.db2.gz SSUALDAAODQPGB-DEOSSOPVSA-N 0 0 457.596 3.021 50 0 JGAARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012872232 195164168 /nfs/dbraw/zinc/16/41/68/195164168.db2.gz ADCXPMNYSJLQPS-DAFODLJHSA-N 0 0 468.966 3.086 50 0 JGAARN CSc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012874657 195165433 /nfs/dbraw/zinc/16/54/33/195165433.db2.gz NYTUNYROHWCOGX-UHFFFAOYSA-N 0 0 476.620 3.239 50 0 JGAARN CN(CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1)C1=NS(=O)(=O)c2ccccc21 ZINC000012876461 195166413 /nfs/dbraw/zinc/16/64/13/195166413.db2.gz MWRIOTFJWWLEDS-KRWDZBQOSA-N 0 0 454.577 3.431 50 0 JGAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(Cl)s2)c(=O)[nH]c1=O ZINC000012877151 195166858 /nfs/dbraw/zinc/16/68/58/195166858.db2.gz FMFQPJWZHVIUDY-UHFFFAOYSA-N 0 0 462.959 3.489 50 0 JGAARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 ZINC000012877868 195167085 /nfs/dbraw/zinc/16/70/85/195167085.db2.gz SPILWWZLNKZQBA-HUUCEWRRSA-N 0 0 491.437 3.442 50 0 JGAARN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](C)CCc3ccco3)cc2)cc1 ZINC000012877721 195167123 /nfs/dbraw/zinc/16/71/23/195167123.db2.gz BCHGCOIBDBUFRE-QGZVFWFLSA-N 0 0 469.563 3.468 50 0 JGAARN COc1ccc(Br)cc1/C=C/C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000012878098 195167342 /nfs/dbraw/zinc/16/73/42/195167342.db2.gz NMFWYASXYWBOCX-VMPITWQZSA-N 0 0 495.414 3.165 50 0 JGAARN COc1ccc([C@@H]2CN3C(=O)CN(C[C@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012878736 195167615 /nfs/dbraw/zinc/16/76/15/195167615.db2.gz LFOQQSLBZMDCSA-NUANOYTQSA-N 0 0 459.546 3.387 50 0 biogenic JGAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3nn(C)c(=O)c4ccccc43)s2)c(C)c1 ZINC000012880242 195167871 /nfs/dbraw/zinc/16/78/71/195167871.db2.gz HVHBGOYRDOQMDX-UHFFFAOYSA-N 0 0 480.575 3.385 50 0 JGAARN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012880390 195168158 /nfs/dbraw/zinc/16/81/58/195168158.db2.gz WMUKYFRKIMZYOS-HIFRSBDPSA-N 0 0 478.423 3.035 50 0 JGAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000012880683 195168458 /nfs/dbraw/zinc/16/84/58/195168458.db2.gz HNTGDBZOGRTGNG-UHFFFAOYSA-N 0 0 478.014 3.116 50 0 JGAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012881380 195168712 /nfs/dbraw/zinc/16/87/12/195168712.db2.gz GXZLEEZLDNTMSC-MRXNPFEDSA-N 0 0 478.014 3.171 50 0 JGAARN O=C(NCCCc1ccccc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012882014 195169001 /nfs/dbraw/zinc/16/90/01/195169001.db2.gz IJGUIIAGFWXCOQ-UHFFFAOYSA-N 0 0 455.502 3.354 50 0 JGAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012900506 195176981 /nfs/dbraw/zinc/17/69/81/195176981.db2.gz JRVPPPSXYKNXHF-UHFFFAOYSA-N 0 0 461.490 3.086 50 0 JGAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012884221 195170055 /nfs/dbraw/zinc/17/00/55/195170055.db2.gz HAPDIFRKELDXTL-XMMPIXPASA-N 0 0 491.592 3.072 50 0 JGAARN O=C(NCCC1=CCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012885777 195170443 /nfs/dbraw/zinc/17/04/43/195170443.db2.gz JHWLOJLEZWUUCH-UHFFFAOYSA-N 0 0 457.390 3.090 50 0 JGAARN O=C(N[C@H]1CCSc2ccccc21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000012885571 195170502 /nfs/dbraw/zinc/17/05/02/195170502.db2.gz CULXILMIKWYFAP-SFHVURJKSA-N 0 0 497.436 3.437 50 0 JGAARN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012886410 195170664 /nfs/dbraw/zinc/17/06/64/195170664.db2.gz NQVLGMUIKMVDBA-UHFFFAOYSA-N 0 0 482.961 3.010 50 0 JGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CC1 ZINC000012886828 195170789 /nfs/dbraw/zinc/17/07/89/195170789.db2.gz UQKXOZMHNISVTL-JYTOHQQHSA-N 0 0 470.573 3.447 50 0 biogenic JGAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCOC(C)C ZINC000012888308 195171541 /nfs/dbraw/zinc/17/15/41/195171541.db2.gz QWIJMNQOWODVLQ-ROKPMTFOSA-N 0 0 475.655 3.497 50 0 biogenic JGAARN CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000012889748 195172301 /nfs/dbraw/zinc/17/23/01/195172301.db2.gz VJTGXDXBNNIPFW-SDNWHVSQSA-N 0 0 451.552 3.232 50 0 JGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(N)=O)CC1)OC1(CCCCC1)CC3 ZINC000012890582 195172535 /nfs/dbraw/zinc/17/25/35/195172535.db2.gz KSGUPXSMQDCSNG-UHFFFAOYSA-N 0 0 452.551 3.396 50 0 biogenic JGAARN O=C(OCc1cc2c(cc1Br)OCCO2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000012891919 195173259 /nfs/dbraw/zinc/17/32/59/195173259.db2.gz DIBRMQDERJVCGD-UHFFFAOYSA-N 0 0 468.325 3.117 50 0 JGAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000012893655 195174180 /nfs/dbraw/zinc/17/41/80/195174180.db2.gz DXIISGQPNSBQRO-GFCCVEGCSA-N 0 0 470.389 3.332 50 0 JGAARN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012893098 195174197 /nfs/dbraw/zinc/17/41/97/195174197.db2.gz ANCPPIISPBYHQH-MRXNPFEDSA-N 0 0 479.549 3.110 50 0 JGAARN C[C@H](OC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012894455 195174612 /nfs/dbraw/zinc/17/46/12/195174612.db2.gz DUUXCWILNBTAMT-SUMWQHHRSA-N 0 0 472.929 3.135 50 0 JGAARN CCCCOC(=O)c1ccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 ZINC000012894556 195174641 /nfs/dbraw/zinc/17/46/41/195174641.db2.gz FNONBKALVCLKMU-UHFFFAOYSA-N 0 0 469.563 3.443 50 0 JGAARN CCOC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@@H]24)O3)c1 ZINC000012895097 195174913 /nfs/dbraw/zinc/17/49/13/195174913.db2.gz BWMLNTZNMVKVKI-GFXAMXPBSA-N 0 0 485.540 3.308 50 0 biogenic JGAARN CCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c2ccccc2c1=O ZINC000012896768 195175606 /nfs/dbraw/zinc/17/56/06/195175606.db2.gz LMVXWBKEQILUGC-UHFFFAOYSA-N 0 0 456.568 3.479 50 0 JGAARN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000012897422 195175915 /nfs/dbraw/zinc/17/59/15/195175915.db2.gz PXXMWKVEUSZVDM-UHFFFAOYSA-N 0 0 483.450 3.459 50 0 JGAARN COc1cc2c(c3oc(=O)c(CCC(=O)NCCNC(=O)c4ccncc4)c(C)c13)CCC(C)(C)O2 ZINC000012898538 195176429 /nfs/dbraw/zinc/17/64/29/195176429.db2.gz OQFQZAPOYNWEQO-UHFFFAOYSA-N 0 0 493.560 3.087 50 0 biogenic JGAARN CCOC(=O)N1CCN(C(=O)Cc2c(C)c3c(OC)cc4c(c3oc2=O)CCC(C)(C)O4)CC1 ZINC000012898160 195176439 /nfs/dbraw/zinc/17/64/39/195176439.db2.gz UXIDBAAXTHMEDK-UHFFFAOYSA-N 0 0 472.538 3.057 50 0 biogenic JGAARN CCCc1noc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)n1 ZINC000012898198 195176444 /nfs/dbraw/zinc/17/64/44/195176444.db2.gz FGBFPIBYSSLYCF-UHFFFAOYSA-N 0 0 450.561 3.167 50 0 JGAARN CN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000012862969 195160013 /nfs/dbraw/zinc/16/00/13/195160013.db2.gz YVNSYQMJTPGIOZ-DEOSSOPVSA-N 0 0 455.624 3.309 50 0 JGAARN COC(=O)c1ccc2c(c1)nc(SCc1ccccc1Cl)n(CCN1CCOCC1)c2=O ZINC000020643688 195194146 /nfs/dbraw/zinc/19/41/46/195194146.db2.gz VVGHUUYDWRLCLA-UHFFFAOYSA-N 0 0 473.982 3.461 50 0 JGAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)NC1CCCC1)NC1CCCCC1 ZINC000020643925 195194321 /nfs/dbraw/zinc/19/43/21/195194321.db2.gz KYIKQBQGZCLFPP-UHFFFAOYSA-N 0 0 456.612 3.386 50 0 JGAARN O=C(CSc1ncnc2sccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012903883 195178447 /nfs/dbraw/zinc/17/84/47/195178447.db2.gz BSZGEQLUWWLODL-UHFFFAOYSA-N 0 0 462.622 3.274 50 0 JGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c1C ZINC000012904062 195178743 /nfs/dbraw/zinc/17/87/43/195178743.db2.gz XMUXKUNISYPILD-UHFFFAOYSA-N 0 0 472.607 3.409 50 0 JGAARN COCCCN(C(=O)Cc1coc2cc(C)c(C)cc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012905979 195179787 /nfs/dbraw/zinc/17/97/87/195179787.db2.gz QNXMWTWYOUSTFI-UHFFFAOYSA-N 0 0 490.560 3.142 50 0 JGAARN COCc1c(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)sc2cccc(F)c21 ZINC000012907279 195180374 /nfs/dbraw/zinc/18/03/74/195180374.db2.gz NORIKODCTNROAV-UHFFFAOYSA-N 0 0 479.551 3.318 50 0 JGAARN CCN(CC)C(=O)c1cc(C(=O)Nc2c(F)c(F)c(Br)c(F)c2F)n(C)n1 ZINC000020606125 195181087 /nfs/dbraw/zinc/18/10/87/195181087.db2.gz BBTMJZLDIOZFMR-UHFFFAOYSA-N 0 0 451.218 3.473 50 0 JGAARN Cn1nc(C(F)(F)F)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc21 ZINC000020608204 195181780 /nfs/dbraw/zinc/18/17/80/195181780.db2.gz YXZCTCDVXGEEEN-UHFFFAOYSA-N 0 0 492.932 3.454 50 0 JGAARN CCc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000020610642 195183794 /nfs/dbraw/zinc/18/37/94/195183794.db2.gz BHVPLKSEPWQILE-BTYSJIOQSA-N 0 0 486.616 3.094 50 0 biogenic JGAARN O=c1c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000020611157 195184977 /nfs/dbraw/zinc/18/49/77/195184977.db2.gz HRZMTJZYIVBRLN-XMMPIXPASA-N 0 0 450.498 3.410 50 0 biogenic JGAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1 ZINC000020614414 195186475 /nfs/dbraw/zinc/18/64/75/195186475.db2.gz GOPBLZBXTAQCOT-QHCPKHFHSA-N 0 0 490.535 3.173 50 0 JGAARN Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000020614472 195186488 /nfs/dbraw/zinc/18/64/88/195186488.db2.gz BULRBPXTCNMRFZ-DEOSSOPVSA-N 0 0 486.572 3.342 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)COc2ccccc2)CC3)c(C)c1 ZINC000020614764 195187094 /nfs/dbraw/zinc/18/70/94/195187094.db2.gz KASICNKKCKHYKZ-UHFFFAOYSA-N 0 0 458.580 3.030 50 0 JGAARN CC1(C)O[C@@H]2[C@H](O1)[C@@H]1OC(C)(C)O[C@@H]1O[C@@H]2C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000020615539 195187492 /nfs/dbraw/zinc/18/74/92/195187492.db2.gz TVQIZIXYJMVFBK-QSUVVDIXSA-N 0 0 485.411 3.147 50 0 biogenic JGAARN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H](c3ccco3)N3CCOCC3)C2=O)c1 ZINC000020675633 195200401 /nfs/dbraw/zinc/20/04/01/195200401.db2.gz SDTDLLIXMUUOGD-ICBIFTLVSA-N 0 0 473.529 3.479 50 0 JGAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=S)NCCN3CCOCC3)ccc21 ZINC000020677061 195201842 /nfs/dbraw/zinc/20/18/42/195201842.db2.gz AIWVFNLFNSKNCN-UHFFFAOYSA-N 0 0 485.683 3.374 50 0 JGAARN Cc1ccc(C)c(N2CCN(C(=O)C[C@@H](C(=O)N3CCc4ccccc43)n3ccnc3)CC2)c1 ZINC000020682838 195204327 /nfs/dbraw/zinc/20/43/27/195204327.db2.gz HEENAXXNKJRHEJ-VWLOTQADSA-N 0 0 457.578 3.369 50 0 JGAARN Cc1cccc(N2CCN(C(=O)C[C@H](C(=O)N3CCc4ccccc43)n3ccnc3)C[C@@H]2C)c1 ZINC000020682807 195204351 /nfs/dbraw/zinc/20/43/51/195204351.db2.gz AFSNFKSLJZENIQ-SQJMNOBHSA-N 0 0 457.578 3.449 50 0 JGAARN CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(Br)cc5)c(C)nn43)c2=O)[nH]1 ZINC000020717602 195206359 /nfs/dbraw/zinc/20/63/59/195206359.db2.gz VVZUUBAVMJVOOA-UHFFFAOYSA-N 0 0 450.300 3.452 50 0 JGAARN O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020716526 195206371 /nfs/dbraw/zinc/20/63/71/195206371.db2.gz FJCOQCOLONQGQI-QGZVFWFLSA-N 0 0 452.942 3.039 50 0 JGAARN O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc2[nH]ccc21 ZINC000020724353 195206931 /nfs/dbraw/zinc/20/69/31/195206931.db2.gz SQBDPRFYSWHJST-CQSZACIVSA-N 0 0 458.440 3.086 50 0 JGAARN COC(CNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)OC ZINC000020726944 195208019 /nfs/dbraw/zinc/20/80/19/195208019.db2.gz ZYJWMEMKWQGCKR-UHFFFAOYSA-N 0 0 498.605 3.066 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1OC ZINC000020809651 195228915 /nfs/dbraw/zinc/22/89/15/195228915.db2.gz LMHURVYVKKPHTP-UHFFFAOYSA-N 0 0 492.981 3.279 50 0 JGAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCCN3CCOCC3)c3nc4ccccc4nc32)cc1 ZINC000020840237 195229940 /nfs/dbraw/zinc/22/99/40/195229940.db2.gz QBDHIGFGNUZOBU-UHFFFAOYSA-N 0 0 465.579 3.030 50 0 JGAARN COc1ccc(NC(=O)CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)cc1Cl ZINC000020848436 195230306 /nfs/dbraw/zinc/23/03/06/195230306.db2.gz QWOWPGDXOVGVRM-UHFFFAOYSA-N 0 0 458.367 3.393 50 0 JGAARN COc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000020744951 195214787 /nfs/dbraw/zinc/21/47/87/195214787.db2.gz YEMZJZLIPIMTQA-IBGZPJMESA-N 0 0 489.615 3.352 50 0 JGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCC(C(N)=O)CC3)nn1-c1ccccc1Cl)C2 ZINC000020744859 195214856 /nfs/dbraw/zinc/21/48/56/195214856.db2.gz GQBBJDOKGVDPKH-UHFFFAOYSA-N 0 0 480.952 3.452 50 0 JGAARN CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000020766568 195222115 /nfs/dbraw/zinc/22/21/15/195222115.db2.gz FISVCMTYQIRRRV-UHFFFAOYSA-N 0 0 458.006 3.381 50 0 JGAARN O=C(NCCc1ccccc1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768028 195223109 /nfs/dbraw/zinc/22/31/09/195223109.db2.gz HVYJXIBYIWAMJS-QHCPKHFHSA-N 0 0 481.549 3.146 50 0 JGAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)Cc3ccsc3)cc2)CC1 ZINC000020781895 195224889 /nfs/dbraw/zinc/22/48/89/195224889.db2.gz ATCGYLSIYVTEPO-QHCPKHFHSA-N 0 0 455.624 3.415 50 0 JGAARN Cc1cccc(Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3c(c2=O)CCCC3)c1 ZINC000020893765 195238576 /nfs/dbraw/zinc/23/85/76/195238576.db2.gz AOIBQZIGDVKLJQ-UHFFFAOYSA-N 0 0 493.629 3.475 50 0 JGAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000020897083 195240130 /nfs/dbraw/zinc/24/01/30/195240130.db2.gz LLPJXWSEVGSGKR-UHFFFAOYSA-N 0 0 457.433 3.263 50 0 JGAARN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898416 195240388 /nfs/dbraw/zinc/24/03/88/195240388.db2.gz VBJSFDOINXATBY-UHFFFAOYSA-N 0 0 455.580 3.103 50 0 JGAARN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898476 195240427 /nfs/dbraw/zinc/24/04/27/195240427.db2.gz WYVDWRILGBUNKE-UHFFFAOYSA-N 0 0 492.601 3.192 50 0 JGAARN CCOCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000020903125 195242633 /nfs/dbraw/zinc/24/26/33/195242633.db2.gz USCVDRCIYVUZAM-RUZDIDTESA-N 0 0 457.571 3.358 50 0 JGAARN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)N1CCC(Cc2ccccc2)CC1 ZINC000020904574 195245080 /nfs/dbraw/zinc/24/50/80/195245080.db2.gz PJWYLSPCDYMPLL-UHFFFAOYSA-N 0 0 458.605 3.376 50 0 JGAARN CCOc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)C(C)C ZINC000020922671 195248311 /nfs/dbraw/zinc/24/83/11/195248311.db2.gz GZAKXGJGIIDBOE-QMHKHESXSA-N 0 0 473.595 3.324 50 0 JGAARN C[C@@H](C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccsc2)CC1)N1CCOCC1 ZINC000020907781 195245476 /nfs/dbraw/zinc/24/54/76/195245476.db2.gz HGHUGSSZQMJFRR-RDPSFJRHSA-N 0 0 469.651 3.391 50 0 JGAARN O=C(c1cncs1)N1CCC2(C[C@@H]2C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000020910523 195245945 /nfs/dbraw/zinc/24/59/45/195245945.db2.gz JBRQZUWRKXVVSL-HXRGIAOBSA-N 0 0 450.608 3.243 50 0 JGAARN CN(C[C@H]1COCCO1)c1nc(-c2csc3ccccc23)ccc1C(=O)NCCn1ccnc1 ZINC000020912737 195246249 /nfs/dbraw/zinc/24/62/49/195246249.db2.gz ASPDBIJBXOGJRC-SFHVURJKSA-N 0 0 477.590 3.441 50 0 JGAARN COc1ccccc1CCNc1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000020861606 195233511 /nfs/dbraw/zinc/23/35/11/195233511.db2.gz PDEBQORNNJKFKP-UHFFFAOYSA-N 0 0 466.606 3.351 50 0 JGAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc3c(c2)OCO3)s1 ZINC000020862017 195233588 /nfs/dbraw/zinc/23/35/88/195233588.db2.gz JEZTTYQYMVOAHF-UHFFFAOYSA-N 0 0 480.589 3.419 50 0 JGAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccc(SC)cc4)CC3)sc2n1 ZINC000020866173 195234446 /nfs/dbraw/zinc/23/44/46/195234446.db2.gz PJSRYZMLJVJVTA-UHFFFAOYSA-N 0 0 471.652 3.401 50 0 JGAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)Nc4cccc(C(=O)OCC)c4)CC3)sc2n1 ZINC000020866113 195234472 /nfs/dbraw/zinc/23/44/72/195234472.db2.gz MFCDDOXDOXRELA-UHFFFAOYSA-N 0 0 469.567 3.135 50 0 JGAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)nc2n1 ZINC000020869666 195235407 /nfs/dbraw/zinc/23/54/07/195235407.db2.gz XXJVJHZETPABQA-UHFFFAOYSA-N 0 0 467.489 3.389 50 0 JGAARN COC(=O)c1cc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc(C(=O)OC)c1 ZINC000020889139 195236503 /nfs/dbraw/zinc/23/65/03/195236503.db2.gz CKRPCQCOPPUJSZ-UHFFFAOYSA-N 0 0 494.525 3.264 50 0 JGAARN O=C(Cc1ccsc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 ZINC000020890078 195236687 /nfs/dbraw/zinc/23/66/87/195236687.db2.gz CZCNDVNIYADABQ-UHFFFAOYSA-N 0 0 468.970 3.227 50 0 JGAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1OCC(N)=O ZINC000020892963 195237846 /nfs/dbraw/zinc/23/78/46/195237846.db2.gz YHPCARNXTXZRLM-JOCHJYFZSA-N 0 0 470.526 3.357 50 0 JGAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1OCC(N)=O ZINC000020892959 195237887 /nfs/dbraw/zinc/23/78/87/195237887.db2.gz YHPCARNXTXZRLM-QFIPXVFZSA-N 0 0 470.526 3.357 50 0 JGAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2C)CC1 ZINC000020893278 195237910 /nfs/dbraw/zinc/23/79/10/195237910.db2.gz XYXLQMLULZHNJQ-UHFFFAOYSA-N 0 0 451.527 3.108 50 0 JGAARN CCOC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4cccc(C)c4)ccc3n2C)CC1 ZINC000020893301 195238072 /nfs/dbraw/zinc/23/80/72/195238072.db2.gz ZEXCRDCIKVOIAT-UHFFFAOYSA-N 0 0 465.554 3.173 50 0 JGAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000020946571 195257138 /nfs/dbraw/zinc/25/71/38/195257138.db2.gz LDLDCVZXKCONFT-UHFFFAOYSA-N 0 0 459.490 3.338 50 0 JGAARN Cc1noc(C)c1CCNC(=O)Cn1cnc2c(c(C)c(C)n2-c2ccc(Cl)cc2)c1=O ZINC000020947494 195257163 /nfs/dbraw/zinc/25/71/63/195257163.db2.gz CKRMPWTVHBHSND-UHFFFAOYSA-N 0 0 453.930 3.421 50 0 JGAARN CCc1nn2c(nc(CSc3nnc(NC(=O)COc4ccccc4F)s3)cc2=O)s1 ZINC000020983690 195259660 /nfs/dbraw/zinc/25/96/60/195259660.db2.gz JMBQVLVPMFJQRU-UHFFFAOYSA-N 0 0 478.556 3.014 50 0 JGAARN Cc1ccc(Cl)cc1N1CCN(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000020982298 195259138 /nfs/dbraw/zinc/25/91/38/195259138.db2.gz JATNIBSAEOSIQA-UHFFFAOYSA-N 0 0 491.057 3.003 50 0 JGAARN C[C@@H]1Cn2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020926259 195249373 /nfs/dbraw/zinc/24/93/73/195249373.db2.gz WSCXYQXHTOWCJS-OAHLLOKOSA-N 0 0 481.936 3.123 50 0 JGAARN O=C(NCc1ccccc1Br)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000020927545 195249658 /nfs/dbraw/zinc/24/96/58/195249658.db2.gz RCYHIZXTHMBPPW-HXUWFJFHSA-N 0 0 470.367 3.102 50 0 JGAARN Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000020928897 195250159 /nfs/dbraw/zinc/25/01/59/195250159.db2.gz TUOSXMZSPBFZGJ-VWLOTQADSA-N 0 0 469.607 3.158 50 0 JGAARN C[C@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1cccc(F)c1 ZINC000020928792 195250222 /nfs/dbraw/zinc/25/02/22/195250222.db2.gz BHBLHMZPGJKGRH-XMMPIXPASA-N 0 0 473.570 3.071 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cc(C)ccc3C)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929125 195250381 /nfs/dbraw/zinc/25/03/81/195250381.db2.gz ALXAUKCXUBTXMM-SANMLTNESA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCC2)cc1C ZINC000020928996 195250441 /nfs/dbraw/zinc/25/04/41/195250441.db2.gz DPORSDMQTWVDOL-RUZDIDTESA-N 0 0 469.607 3.158 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000020929179 195250451 /nfs/dbraw/zinc/25/04/51/195250451.db2.gz KSEYJDVHJZOMNU-VWLOTQADSA-N 0 0 469.607 3.158 50 0 JGAARN CC(C)CCNC(=O)[C@@]1(C)CN(S(=O)(=O)c2ccccc2)CC(=O)N1Cc1ccc(Cl)cc1 ZINC000020929336 195250632 /nfs/dbraw/zinc/25/06/32/195250632.db2.gz YUNRQTGOVLKEEY-XMMPIXPASA-N 0 0 492.041 3.294 50 0 JGAARN Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)Nc1cccc(Br)c1)OCC(=O)N2 ZINC000020930261 195251185 /nfs/dbraw/zinc/25/11/85/195251185.db2.gz DRBGQOMUXGXKGQ-GFCCVEGCSA-N 0 0 467.341 3.279 50 0 JGAARN CCOC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000020931999 195251543 /nfs/dbraw/zinc/25/15/43/195251543.db2.gz LNAXUGGSYOENJZ-LJQANCHMSA-N 0 0 472.538 3.212 50 0 JGAARN Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 ZINC000020930649 195251635 /nfs/dbraw/zinc/25/16/35/195251635.db2.gz MWRYOYLGZYQQCN-SFHVURJKSA-N 0 0 469.607 3.010 50 0 JGAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1 ZINC000020936368 195252866 /nfs/dbraw/zinc/25/28/66/195252866.db2.gz 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COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036210589 523717412 /nfs/dbraw/zinc/71/74/12/523717412.db2.gz RDBYOHPKELGVSD-OAQYLSRUSA-N 0 0 455.580 3.030 50 0 JGAARN CN1C(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876361 523727985 /nfs/dbraw/zinc/72/79/85/523727985.db2.gz HZUPQUJFGTYBFU-LJAQVGFWSA-N 0 0 499.615 3.139 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036210110 523730735 /nfs/dbraw/zinc/73/07/35/523730735.db2.gz AEQNAYYSKCJJJP-DEOSSOPVSA-N 0 0 481.568 3.498 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000036210185 523730791 /nfs/dbraw/zinc/73/07/91/523730791.db2.gz QBOQEOHGWDWEAA-SANMLTNESA-N 0 0 479.621 3.437 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000036210118 523731090 /nfs/dbraw/zinc/73/10/90/523731090.db2.gz YCQKXFFODWOQMN-VWLOTQADSA-N 0 0 493.604 3.367 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000036210128 523731163 /nfs/dbraw/zinc/73/11/63/523731163.db2.gz OQPSMDFODDIEQJ-DEOSSOPVSA-N 0 0 481.568 3.498 50 0 JGAARN CN1C(=O)c2cc(C(=O)Nc3ccccc3Cl)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875250 523731112 /nfs/dbraw/zinc/73/11/12/523731112.db2.gz DDIOLCCXGIORDE-HSZRJFAPSA-N 0 0 457.962 3.472 50 0 JGAARN CN1C(=O)c2cc(C(=O)NCc3ccccc3Cl)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875253 523731313 /nfs/dbraw/zinc/73/13/13/523731313.db2.gz BSIROYOHWJXYNH-DEOSSOPVSA-N 0 0 471.989 3.150 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036210189 523731918 /nfs/dbraw/zinc/73/19/18/523731918.db2.gz BBNGFHCADIRPOK-NRFANRHFSA-N 0 0 457.596 3.180 50 0 JGAARN COc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1OC ZINC000046145993 523745425 /nfs/dbraw/zinc/74/54/25/523745425.db2.gz XLJISFVHILJDTK-UHFFFAOYSA-N 0 0 495.557 3.288 50 0 JGAARN CCc1cc(C(=O)N2CCc3c(c(C(=O)N4CCCCC4)nn3CCCc3cccnc3)C2)no1 ZINC000014741267 523759795 /nfs/dbraw/zinc/75/97/95/523759795.db2.gz DGMQYCDNLUQYGP-UHFFFAOYSA-N 0 0 476.581 3.286 50 0 JGAARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)ccc21 ZINC000009670376 523763434 /nfs/dbraw/zinc/76/34/34/523763434.db2.gz IBOHFSOYFUAAII-UHFFFAOYSA-N 0 0 456.553 3.223 50 0 JGAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000041089560 523771898 /nfs/dbraw/zinc/77/18/98/523771898.db2.gz FIILBDIRNWBHKW-INIZCTEOSA-N 0 0 477.473 3.368 50 0 JGAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000036060146 523772044 /nfs/dbraw/zinc/77/20/44/523772044.db2.gz YEZUGAFMUIIEHX-CABCVRRESA-N 0 0 495.985 3.491 50 0 JGAARN COCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1C ZINC000036156830 523776085 /nfs/dbraw/zinc/77/60/85/523776085.db2.gz KMBXGHSWODPODJ-KRWDZBQOSA-N 0 0 457.596 3.060 50 0 JGAARN COc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1 ZINC000021555133 523776764 /nfs/dbraw/zinc/77/67/64/523776764.db2.gz GVPQABSBQJNVOC-GOSISDBHSA-N 0 0 467.591 3.491 50 0 JGAARN CC[C@H](C(=O)NCc1cc(OC)ccc1OC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971105 523784341 /nfs/dbraw/zinc/78/43/41/523784341.db2.gz KEPBZPKYGDENEE-OAQYLSRUSA-N 0 0 475.549 3.484 50 0 JGAARN CC[C@H](C(=O)NCc1ccc(OC)c(OC)c1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064971093 523785346 /nfs/dbraw/zinc/78/53/46/523785346.db2.gz JFDCNQIRLXJMQA-HXUWFJFHSA-N 0 0 475.549 3.484 50 0 JGAARN CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)n1 ZINC000036028454 523793714 /nfs/dbraw/zinc/79/37/14/523793714.db2.gz CZFOUPMKBWZPEY-UHFFFAOYSA-N 0 0 453.612 3.236 50 0 JGAARN COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(Cc3ccc(F)cc3F)CC2)C1=O ZINC000014992850 523805257 /nfs/dbraw/zinc/80/52/57/523805257.db2.gz RYAVUCMKONFSSW-SANMLTNESA-N 0 0 487.547 3.365 50 0 JGAARN COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C(=O)CC3=CCCCC3)CC2)C1=O ZINC000014989864 523805344 /nfs/dbraw/zinc/80/53/44/523805344.db2.gz UVOIWWDBJZWZDB-AREMUKBSSA-N 0 0 471.573 3.434 50 0 JGAARN COCCN1C(=O)N[C@](Cc2ccccc2Cl)(C2CCN(C(=O)c3cccc(C)n3)CC2)C1=O ZINC000012245858 523805863 /nfs/dbraw/zinc/80/58/63/523805863.db2.gz VSSLEPFBBVVNMF-RUZDIDTESA-N 0 0 484.984 3.075 50 0 JGAARN COCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021866050 523809061 /nfs/dbraw/zinc/80/90/61/523809061.db2.gz GZPIDYXJXKBWDD-AREMUKBSSA-N 0 0 484.597 3.308 50 0 JGAARN COCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2cccc(Br)c2)C1=O ZINC000002115828 523810702 /nfs/dbraw/zinc/81/07/02/523810702.db2.gz OIESAWQEJTXEOJ-UGKGYDQZSA-N 0 0 468.351 3.262 50 0 biogenic JGAARN COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C ZINC000008605719 523822396 /nfs/dbraw/zinc/82/23/96/523822396.db2.gz JSWCELPALJJHCD-UHFFFAOYSA-N 0 0 450.543 3.004 50 0 JGAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000008600874 523822935 /nfs/dbraw/zinc/82/29/35/523822935.db2.gz XUKORTNCVJCRFW-UHFFFAOYSA-N 0 0 485.606 3.342 50 0 JGAARN CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012483714 523831083 /nfs/dbraw/zinc/83/10/83/523831083.db2.gz ACTRJZVGVDHZFM-MRXNPFEDSA-N 0 0 486.373 3.375 50 0 JGAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)C1 ZINC000033279275 523837370 /nfs/dbraw/zinc/83/73/70/523837370.db2.gz PSWOCGGHAHZGRW-OAHLLOKOSA-N 0 0 476.580 3.463 50 0 JGAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3noc(C)n3)cs2)C1 ZINC000033279276 523840814 /nfs/dbraw/zinc/84/08/14/523840814.db2.gz PSWOCGGHAHZGRW-HNNXBMFYSA-N 0 0 476.580 3.463 50 0 JGAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccc(OC)c(OC)c4)nc(CC)n23)s1 ZINC000020384410 523845882 /nfs/dbraw/zinc/84/58/82/523845882.db2.gz VCONYWZRFCFHLT-UHFFFAOYSA-N 0 0 454.552 3.169 50 0 JGAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCN3CCN(c4ccccc4)CC3)C2)s1 ZINC000033078447 523848779 /nfs/dbraw/zinc/84/87/79/523848779.db2.gz MAFRXEDVJWHKDC-HXUWFJFHSA-N 0 0 478.666 3.409 50 0 JGAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccc5c(c4)OCCO5)n3n2)cc1 ZINC000045939127 523854400 /nfs/dbraw/zinc/85/44/00/523854400.db2.gz KPWTZEFDZZJUCV-UHFFFAOYSA-N 0 0 463.519 3.149 50 0 JGAARN CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000044803411 523863464 /nfs/dbraw/zinc/86/34/64/523863464.db2.gz HAUVZXGSSDXUOE-UHFFFAOYSA-N 0 0 480.590 3.271 50 0 JGAARN CN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2nc3ccccc3nc21 ZINC000014814764 523880177 /nfs/dbraw/zinc/88/01/77/523880177.db2.gz DCINGTHCRRIEOE-UHFFFAOYSA-N 0 0 471.970 3.164 50 0 JGAARN CN1CCN(C(=O)c2ccc(CSc3nc(N4CCOCC4)cc(C(C)(C)C)n3)cc2)CC1 ZINC000036070779 523880195 /nfs/dbraw/zinc/88/01/95/523880195.db2.gz HFVZJXYAZCLXTR-UHFFFAOYSA-N 0 0 469.655 3.291 50 0 JGAARN COC(=O)[C@H](CCSC)NC(=O)[C@H]1Cc2nc(NC(=O)CC3CCCCC3)sc2C(=O)C1 ZINC000014984061 523899985 /nfs/dbraw/zinc/89/99/85/523899985.db2.gz OQNBFZXDOXOSPG-GJZGRUSLSA-N 0 0 481.640 3.208 50 0 JGAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000045899950 523900812 /nfs/dbraw/zinc/90/08/12/523900812.db2.gz XMGUEOZNSSTAJW-UHFFFAOYSA-N 0 0 477.948 3.159 50 0 JGAARN COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1 ZINC000016472466 523909015 /nfs/dbraw/zinc/90/90/15/523909015.db2.gz YLOQIEYKEYLIMC-UHFFFAOYSA-N 0 0 487.622 3.278 50 0 JGAARN COC(=O)[C@H](CS[C@@H]1CCCCO1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000006075228 523909310 /nfs/dbraw/zinc/90/93/10/523909310.db2.gz YZGBVOLXWRRXDF-CEXWTWQISA-N 0 0 466.600 3.040 50 0 biogenic JGAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036209952 523910672 /nfs/dbraw/zinc/91/06/72/523910672.db2.gz OCJFYPYPDJGEBV-QFIPXVFZSA-N 0 0 471.985 3.062 50 0 JGAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O ZINC000025417882 523911062 /nfs/dbraw/zinc/91/10/62/523911062.db2.gz ZEJXOAFIAQBMKA-KRWDZBQOSA-N 0 0 459.424 3.074 50 0 JGAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000014200394 523911073 /nfs/dbraw/zinc/91/10/73/523911073.db2.gz XQGXMLPNZNSTBR-NRFANRHFSA-N 0 0 456.495 3.141 50 0 JGAARN COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215783 523922309 /nfs/dbraw/zinc/92/23/09/523922309.db2.gz XGJGZNVDNMEQFY-YADHBBJMSA-N 0 0 463.490 3.357 50 0 JGAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(C[C@@H]1CCCO1)c2=O ZINC000033250977 523926975 /nfs/dbraw/zinc/92/69/75/523926975.db2.gz CKZPMHBMXYCCEH-IBGZPJMESA-N 0 0 499.564 3.066 50 0 JGAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088703 523928385 /nfs/dbraw/zinc/92/83/85/523928385.db2.gz BWZAVKYHDCFOAQ-UHFFFAOYSA-N 0 0 465.531 3.121 50 0 JGAARN CCc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)cc1 ZINC000021875544 523939696 /nfs/dbraw/zinc/93/96/96/523939696.db2.gz DOCVVRRWPNXJGA-SANMLTNESA-N 0 0 465.598 3.059 50 0 JGAARN COc1ccc(CCNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)c(OC)c1 ZINC000014884521 523955103 /nfs/dbraw/zinc/95/51/03/523955103.db2.gz 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/nfs/dbraw/zinc/74/85/29/554748529.db2.gz QWUROPJOYUJTKF-UHFFFAOYSA-N 0 0 460.577 3.216 50 0 JGAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000008853014 554749288 /nfs/dbraw/zinc/74/92/88/554749288.db2.gz LOHMBTYZFRFVNG-UHFFFAOYSA-N 0 0 457.534 3.114 50 0 JGAARN COC[C@H](C)n1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O ZINC000008852994 554749346 /nfs/dbraw/zinc/74/93/46/554749346.db2.gz RIZUNNJDIZLGRQ-INIZCTEOSA-N 0 0 466.563 3.462 50 0 JGAARN CCCCC(=O)N[C@@](Nc1sc2c(c1C(=O)OCC)CCN(C)C2)(C(=O)OCC)C(F)(F)F ZINC000008854925 554750518 /nfs/dbraw/zinc/75/05/18/554750518.db2.gz JQXNDUQXZAFKKC-HXUWFJFHSA-N 0 0 493.548 3.453 50 0 JGAARN CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1 ZINC000008873512 554770168 /nfs/dbraw/zinc/77/01/68/554770168.db2.gz DCJQOCSQOPMQRH-UHFFFAOYSA-N 0 0 462.535 3.154 50 0 JGAARN NC(=O)N[C@H](CC(=O)OCCN1C(=O)c2ccccc2C1=O)c1cccc(Oc2ccccc2)c1 ZINC000008878545 554774023 /nfs/dbraw/zinc/77/40/23/554774023.db2.gz GWZBLLVXWXOYCC-JOCHJYFZSA-N 0 0 473.485 3.418 50 0 JGAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)CCc1nc3ccccc3c(=O)[nH]1)CCCCC2 ZINC000008878977 554774439 /nfs/dbraw/zinc/77/44/39/554774439.db2.gz BELWEAJUIMSHLJ-UHFFFAOYSA-N 0 0 483.546 3.155 50 0 JGAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NCCC(=O)NC2CC2)cc1 ZINC000008879224 554774757 /nfs/dbraw/zinc/77/47/57/554774757.db2.gz OVHYSAAUXJTIRS-DEOSSOPVSA-N 0 0 453.539 3.038 50 0 biogenic JGAARN CCN(C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000008879905 554775478 /nfs/dbraw/zinc/77/54/78/554775478.db2.gz GDDXJKSLZTXQQZ-GOSISDBHSA-N 0 0 458.605 3.017 50 0 JGAARN CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)c1ccccc1 ZINC000008880108 554775584 /nfs/dbraw/zinc/77/55/84/554775584.db2.gz CAASUHJCTKAEAR-FQEVSTJZSA-N 0 0 491.887 3.494 50 0 JGAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000008880701 554776088 /nfs/dbraw/zinc/77/60/88/554776088.db2.gz OTNXWEZVKZLGKO-YADHBBJMSA-N 0 0 476.533 3.012 50 0 JGAARN 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CCc1nn(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc3occc3n21 ZINC000008933876 554828478 /nfs/dbraw/zinc/82/84/78/554828478.db2.gz XHINXTQIIKEESP-UHFFFAOYSA-N 0 0 453.930 3.115 50 0 JGAARN Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)cc1 ZINC000008934422 554829110 /nfs/dbraw/zinc/82/91/10/554829110.db2.gz XLNPZBXGXBAOKE-UHFFFAOYSA-N 0 0 455.312 3.345 50 0 JGAARN Cc1nn([C@@H](C)C(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000008936135 554830345 /nfs/dbraw/zinc/83/03/45/554830345.db2.gz UNWCEOVMJWDEMM-SFHVURJKSA-N 0 0 450.564 3.402 50 0 JGAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008937957 554830750 /nfs/dbraw/zinc/83/07/50/554830750.db2.gz DPERQGCSSMFSBT-SANMLTNESA-N 0 0 457.486 3.434 50 0 JGAARN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000008943581 554832523 /nfs/dbraw/zinc/83/25/23/554832523.db2.gz SQMXTADQQJOAPI-OAHLLOKOSA-N 0 0 454.552 3.143 50 0 JGAARN CCOC(=O)C1=C(COC(=O)c2cnc3ccccc3n2)NC(=O)N[C@H]1c1ccc(Cl)cc1 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/nfs/dbraw/zinc/84/18/95/554841895.db2.gz NUIOFZNGBMCPBH-UHFFFAOYSA-N 0 0 482.606 3.079 50 0 JGAARN Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000008966089 554841966 /nfs/dbraw/zinc/84/19/66/554841966.db2.gz LPLJPIHZDHSHGC-UHFFFAOYSA-N 0 0 490.585 3.314 50 0 JGAARN CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c3cccs3)C1)O[C@H](C)C2 ZINC000008966372 554842513 /nfs/dbraw/zinc/84/25/13/554842513.db2.gz XPGNRFOIVBZEHE-HZPDHXFCSA-N 0 0 464.609 3.187 50 0 JGAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 ZINC000008968218 554842757 /nfs/dbraw/zinc/84/27/57/554842757.db2.gz RJEZHPPYBHBTEA-IBGZPJMESA-N 0 0 482.580 3.339 50 0 JGAARN COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 ZINC000008968185 554842818 /nfs/dbraw/zinc/84/28/18/554842818.db2.gz JSZHGYCKGYMLMF-LJQANCHMSA-N 0 0 485.580 3.398 50 0 JGAARN Cc1ccccc1-c1nnc(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1C ZINC000008983090 554847491 /nfs/dbraw/zinc/84/74/91/554847491.db2.gz 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CCc1ccc(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)s1 ZINC000009580278 555385465 /nfs/dbraw/zinc/38/54/65/555385465.db2.gz VTYGZGGTBDQMLI-UHFFFAOYSA-N 0 0 479.605 3.356 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(N(C)C)c4)sc3C2)cc1 ZINC000013360459 555386084 /nfs/dbraw/zinc/38/60/84/555386084.db2.gz PXPQMXYVDWJPTD-UHFFFAOYSA-N 0 0 472.592 3.217 50 0 JGAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000009580575 555386272 /nfs/dbraw/zinc/38/62/72/555386272.db2.gz UZJMUIVUCQWERF-HXUWFJFHSA-N 0 0 481.622 3.175 50 0 JGAARN CSCC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1nc2ccccc2[nH]1 ZINC000009670589 555387783 /nfs/dbraw/zinc/38/77/83/555387783.db2.gz MCKLPPIBZHMJBP-NBGIEHNGSA-N 0 0 477.590 3.257 50 0 JGAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009670892 555388688 /nfs/dbraw/zinc/38/86/88/555388688.db2.gz MWDNGWWDSKGZGY-UHFFFAOYSA-N 0 0 490.512 3.468 50 0 JGAARN CC(C)(C)C1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 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C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)cc2)C1=O ZINC000011905056 555853439 /nfs/dbraw/zinc/85/34/39/555853439.db2.gz MFTPYNZQKZRGDO-SFHVURJKSA-N 0 0 470.572 3.395 50 0 JGAARN CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)n(C)c1 ZINC000021597460 555854973 /nfs/dbraw/zinc/85/49/73/555854973.db2.gz CCKWFNDCLHVRQV-UHFFFAOYSA-N 0 0 456.496 3.219 50 0 JGAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCc1ccc(CC)cc1 ZINC000021636350 555855535 /nfs/dbraw/zinc/85/55/35/555855535.db2.gz LIVSGLUZRNHXKX-XMMPIXPASA-N 0 0 483.634 3.408 50 0 JGAARN CCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000021947139 555857550 /nfs/dbraw/zinc/85/75/50/555857550.db2.gz XKIPMLLAOMPIHC-UHFFFAOYSA-N 0 0 498.539 3.044 50 0 JGAARN COc1ccccc1[C@@H]([C@@H](O)C(=O)c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 ZINC000015017605 555858655 /nfs/dbraw/zinc/85/86/55/555858655.db2.gz XYALGUKDVRVENS-UKILVPOCSA-N 0 0 457.534 3.074 50 0 JGAARN CCC[C@@]1(C2CCN(C(=O)Cc3ccc(SC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000011911025 555858712 /nfs/dbraw/zinc/85/87/12/555858712.db2.gz YAXBMDLMSZNZMP-CPJSRVTESA-N 0 0 473.639 3.459 50 0 JGAARN Cc1ccc(F)c(NC(=O)CSc2nnc([C@H](C)N3C(=O)COc4ccccc43)n2C)c1 ZINC000015019047 555859881 /nfs/dbraw/zinc/85/98/81/555859881.db2.gz PMCNNHCTEIWJRD-AWEZNQCLSA-N 0 0 455.515 3.480 50 0 JGAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)CNC(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000021990028 555859905 /nfs/dbraw/zinc/85/99/05/555859905.db2.gz BZLNXGNBMHWWAZ-OAHLLOKOSA-N 0 0 472.563 3.033 50 0 JGAARN CC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)N3C(=O)COc4ccccc43)n2C)cc1 ZINC000015019050 555859923 /nfs/dbraw/zinc/85/99/23/555859923.db2.gz ZQXUZGXAKQVSSW-CQSZACIVSA-N 0 0 465.535 3.235 50 0 JGAARN O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011911945 555860001 /nfs/dbraw/zinc/86/00/01/555860001.db2.gz MCNJFMDHQRUCDC-JOCHJYFZSA-N 0 0 498.591 3.207 50 0 JGAARN COc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000021993444 555860218 /nfs/dbraw/zinc/86/02/18/555860218.db2.gz MKGKMIGTHBIHHS-HDICACEKSA-N 0 0 499.589 3.035 50 0 JGAARN CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000015019636 555861557 /nfs/dbraw/zinc/86/15/57/555861557.db2.gz MUHUIFHJZNDJNE-PKOBYXMFSA-N 0 0 479.672 3.360 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c(C)c1 ZINC000022010502 555861627 /nfs/dbraw/zinc/86/16/27/555861627.db2.gz QBLUUMTXXQERNU-IBGZPJMESA-N 0 0 481.626 3.190 50 0 JGAARN C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000022011917 555861720 /nfs/dbraw/zinc/86/17/20/555861720.db2.gz UXVSFGINVPFWAY-OAQYLSRUSA-N 0 0 457.578 3.329 50 0 JGAARN Cc1ccc(N(Cc2nnc(SCC(=O)Nc3cc(F)cc(F)c3)n2C)S(C)(=O)=O)cc1 ZINC000015019664 555861794 /nfs/dbraw/zinc/86/17/94/555861794.db2.gz ULIYBVIWMMDGDR-UHFFFAOYSA-N 0 0 481.550 3.099 50 0 JGAARN CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3O)CC2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011913013 555862421 /nfs/dbraw/zinc/86/24/21/555862421.db2.gz ACXOIAVKMJUDCX-DEOSSOPVSA-N 0 0 489.494 3.167 50 0 JGAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000015019839 555862936 /nfs/dbraw/zinc/86/29/36/555862936.db2.gz UJXAHLAIENCBSG-WMZOPIPTSA-N 0 0 465.645 3.051 50 0 JGAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000015019810 555863047 /nfs/dbraw/zinc/86/30/47/555863047.db2.gz OYTAGYIGSZWFHR-UHFFFAOYSA-N 0 0 463.560 3.134 50 0 JGAARN CCOc1ccc([C@@H](CNC(=O)N2CCN(Cc3ccccc3C)CC2)N2CCOCC2)cc1OC ZINC000022024821 555863766 /nfs/dbraw/zinc/86/37/66/555863766.db2.gz ZRRQREJSGKXNOB-RUZDIDTESA-N 0 0 496.652 3.303 50 0 JGAARN CCOc1ccc([C@H](CNC(=O)N2CCN(Cc3ccccc3C)CC2)N2CCOCC2)cc1OC ZINC000022024822 555863820 /nfs/dbraw/zinc/86/38/20/555863820.db2.gz ZRRQREJSGKXNOB-VWLOTQADSA-N 0 0 496.652 3.303 50 0 JGAARN CCc1ccc(OCC(=O)N(Cc2ccc(Br)o2)[C@H]2CCS(=O)(=O)C2)cc1 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ZINC000035960637 569736498 /nfs/dbraw/zinc/73/64/98/569736498.db2.gz LXNIDUBCTITMJO-QHCPKHFHSA-N 0 0 482.581 3.368 50 0 JGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961671 569737214 /nfs/dbraw/zinc/73/72/14/569737214.db2.gz LTUHHXYBEIKMAG-NRFANRHFSA-N 0 0 472.586 3.136 50 0 JGAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1 ZINC000035961663 569737244 /nfs/dbraw/zinc/73/72/44/569737244.db2.gz LFBLLYKZNJCUKV-JOCHJYFZSA-N 0 0 486.613 3.382 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000035961952 569737326 /nfs/dbraw/zinc/73/73/26/569737326.db2.gz MBWLJLSECWCWMN-XMMPIXPASA-N 0 0 465.550 3.267 50 0 JGAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC)C(=O)C1CC1 ZINC000035962477 569737630 /nfs/dbraw/zinc/73/76/30/569737630.db2.gz AAJSTNPFGZXEQD-QHCPKHFHSA-N 0 0 465.550 3.267 50 0 JGAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)C3CC3)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000035962363 569737635 /nfs/dbraw/zinc/73/76/35/569737635.db2.gz XADFDMJFWMUUBU-NRFANRHFSA-N 0 0 481.549 3.267 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1 ZINC000035963085 569737818 /nfs/dbraw/zinc/73/78/18/569737818.db2.gz HCNWGGILYXVHNJ-QHCPKHFHSA-N 0 0 452.555 3.359 50 0 JGAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n1 ZINC000096211161 569738253 /nfs/dbraw/zinc/73/82/53/569738253.db2.gz FBUAJLIINDZMKH-UHFFFAOYSA-N 0 0 457.644 3.240 50 0 JGAARN CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCOCC3)c3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035966354 569738426 /nfs/dbraw/zinc/73/84/26/569738426.db2.gz XATXJOYVAXQPBY-JWQCQUIFSA-N 0 0 488.588 3.086 50 0 JGAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NC3CC3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966523 569738509 /nfs/dbraw/zinc/73/85/09/569738509.db2.gz LBDXYVQXJYYETL-RTBURBONSA-N 0 0 464.488 3.191 50 0 JGAARN COc1ccc2[nH]c(=O)c([C@H]3SCC(=O)Nc4c3c(=O)[nH]n4[C@H]3CCOC(C)(C)C3)cc2c1 ZINC000096223435 569739788 /nfs/dbraw/zinc/73/97/88/569739788.db2.gz KBCFUESJDJMZRC-ORAYPTAESA-N 0 0 470.551 3.344 50 0 JGAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000096544316 569740744 /nfs/dbraw/zinc/74/07/44/569740744.db2.gz XTGOXOCPZMZDSE-CPNJWEJPSA-N 0 0 456.520 3.487 50 0 JGAARN COc1ccc(N=P(c2c(C)nc3ccccn32)(N2CCOCC2)N2CCOCC2)cc1 ZINC000096562147 569741096 /nfs/dbraw/zinc/74/10/96/569741096.db2.gz FDIXDFVEOUDKLT-UHFFFAOYSA-N 0 0 455.499 3.304 50 0 JGAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COC3(CCCCC3)N2C(=O)c2cc(F)cc(F)c2)C1 ZINC000035981043 569742625 /nfs/dbraw/zinc/74/26/25/569742625.db2.gz CGCLDMMWWHCYIC-OXQOHEQNSA-N 0 0 464.509 3.268 50 0 JGAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000096662934 569742767 /nfs/dbraw/zinc/74/27/67/569742767.db2.gz UQWJTKKNQTZXPH-UHFFFAOYSA-N 0 0 462.424 3.215 50 0 JGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986599 569742951 /nfs/dbraw/zinc/74/29/51/569742951.db2.gz SUBDNNNPGMXNPH-GCJKJVERSA-N 0 0 467.541 3.214 50 0 JGAARN CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986589 569742977 /nfs/dbraw/zinc/74/29/77/569742977.db2.gz NIKXQEIBEXOPJU-QFIPXVFZSA-N 0 0 467.541 3.071 50 0 JGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(OC)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986821 569743153 /nfs/dbraw/zinc/74/31/53/569743153.db2.gz DWOMJHAMEDRFMA-XXBNENTESA-N 0 0 479.577 3.083 50 0 JGAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096809609 569743163 /nfs/dbraw/zinc/74/31/63/569743163.db2.gz LTURBGXKPKAQCU-GDNBJRDFSA-N 0 0 499.643 3.181 50 0 JGAARN O=C(c1ccccc1)N1[C@@H](C(=O)N2CCCC2)COC12CCN(C(=O)c1ccc(F)cc1F)CC2 ZINC000035986918 569743231 /nfs/dbraw/zinc/74/32/31/569743231.db2.gz OAKOKVGBVORFPO-JOCHJYFZSA-N 0 0 483.515 3.061 50 0 JGAARN COc1cc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(N3CCC(C)CC3)n2)cc(OC)c1OC ZINC000035987902 569743606 /nfs/dbraw/zinc/74/36/06/569743606.db2.gz XEOSHMSGKRRQJK-GOSISDBHSA-N 0 0 470.570 3.315 50 0 JGAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000096908292 569743617 /nfs/dbraw/zinc/74/36/17/569743617.db2.gz OYGCUHZDCFBENA-UHFFFAOYSA-N 0 0 466.607 3.234 50 0 JGAARN Cc1ccc(CNC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F ZINC000096930953 569743733 /nfs/dbraw/zinc/74/37/33/569743733.db2.gz FOSWQPGEYHEELR-UHFFFAOYSA-N 0 0 466.479 3.025 50 0 JGAARN O=C(NC1CC1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989910 569743912 /nfs/dbraw/zinc/74/39/12/569743912.db2.gz JTACSCZBQLYEPX-NRFANRHFSA-N 0 0 485.943 3.231 50 0 JGAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989290 569743930 /nfs/dbraw/zinc/74/39/30/569743930.db2.gz VPWBMJDSFKSHFY-OAQYLSRUSA-N 0 0 469.538 3.147 50 0 JGAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(OC)c1 ZINC000035990006 569743955 /nfs/dbraw/zinc/74/39/55/569743955.db2.gz HXAVUPFTOOCYLA-WZONZLPQSA-N 0 0 497.567 3.223 50 0 JGAARN O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000097133722 569744403 /nfs/dbraw/zinc/74/44/03/569744403.db2.gz DYKASAQTKFVWSS-YYWHXJBOSA-N 0 0 474.554 3.235 50 0 JGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCCCCC5)CC4)c3CO2)cc1 ZINC000097151767 569744598 /nfs/dbraw/zinc/74/45/98/569744598.db2.gz PGOBRZYHUMJXAK-QHCPKHFHSA-N 0 0 481.597 3.249 50 0 JGAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)C1CC1 ZINC000035992013 569744781 /nfs/dbraw/zinc/74/47/81/569744781.db2.gz CKZXFKOXPSEGSX-UHFFFAOYSA-N 0 0 464.541 3.373 50 0 JGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992860 569745164 /nfs/dbraw/zinc/74/51/64/569745164.db2.gz CQUHOROTBHUZID-XMMPIXPASA-N 0 0 494.567 3.187 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992840 569745231 /nfs/dbraw/zinc/74/52/31/569745231.db2.gz PYAQDAAPLQTVSQ-NTKDMRAZSA-N 0 0 476.577 3.046 50 0 JGAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000035993354 569745271 /nfs/dbraw/zinc/74/52/71/569745271.db2.gz CTCSPWCSKMUMAK-KRWDZBQOSA-N 0 0 450.557 3.025 50 0 JGAARN COc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)N(C)Cc4cccc(F)c4)CC3)n2)cc1 ZINC000097550223 569745390 /nfs/dbraw/zinc/74/53/90/569745390.db2.gz GBBJEKXGILQCOG-SFHVURJKSA-N 0 0 467.545 3.049 50 0 JGAARN O=C(COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000097654839 569745625 /nfs/dbraw/zinc/74/56/25/569745625.db2.gz KPGCPMDKIOLSEI-SFQUDFHCSA-N 0 0 495.398 3.435 50 0 JGAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(C(=O)c2cc(-c3ccc(OC)cc3)on2)C2CC2)C1 ZINC000036001377 569745954 /nfs/dbraw/zinc/74/59/54/569745954.db2.gz PMGGHAKVGCBSOB-SFHVURJKSA-N 0 0 469.538 3.147 50 0 JGAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)CC2)c(C)c1 ZINC000097943526 569746168 /nfs/dbraw/zinc/74/61/68/569746168.db2.gz SZAMXPMOWWRIOE-QFIPXVFZSA-N 0 0 479.968 3.418 50 0 JGAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(Cc2cccnc2)S(=O)(=O)c2ccccc2)c1C ZINC000036002279 569746222 /nfs/dbraw/zinc/74/62/22/569746222.db2.gz UVCXIESVKYUGQT-UHFFFAOYSA-N 0 0 455.536 3.277 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cccc(Cl)c5)CC4)c3CO2)cc1 ZINC000097943621 569746361 /nfs/dbraw/zinc/74/63/61/569746361.db2.gz BOZIILRSPAVEAD-NRFANRHFSA-N 0 0 465.941 3.110 50 0 JGAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)c3CO2)cc1 ZINC000097943671 569746397 /nfs/dbraw/zinc/74/63/97/569746397.db2.gz WRWGGTKEPCMMJF-MHECFPHRSA-N 0 0 489.576 3.288 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000036003224 569746486 /nfs/dbraw/zinc/74/64/86/569746486.db2.gz DREROYQYCUYBIV-RUZDIDTESA-N 0 0 490.604 3.275 50 0 JGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943707 569746489 /nfs/dbraw/zinc/74/64/89/569746489.db2.gz DOAMYWAATKBRBZ-XMMPIXPASA-N 0 0 473.577 3.335 50 0 JGAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5CCCCC5)CC4)c3CO2)cc1 ZINC000097943680 569746508 /nfs/dbraw/zinc/74/65/08/569746508.db2.gz ZNRJLQCKUJUBHY-HSZRJFAPSA-N 0 0 481.597 3.107 50 0 JGAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5cc(F)ccc5F)CC4)c3CO2)cc1 ZINC000097943784 569746558 /nfs/dbraw/zinc/74/65/58/569746558.db2.gz JAJHLYXCCRLLDA-HSZRJFAPSA-N 0 0 495.530 3.305 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036003300 569746600 /nfs/dbraw/zinc/74/66/00/569746600.db2.gz SNCVMKRVAMGKPX-XMSQKQJNSA-N 0 0 485.629 3.023 50 0 JGAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccccn2)S(=O)(=O)c2ccc(F)cc2)c1C ZINC000036005165 569746945 /nfs/dbraw/zinc/74/69/45/569746945.db2.gz CXAMGNKXGFAWID-MRXNPFEDSA-N 0 0 473.526 3.415 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005233 569746970 /nfs/dbraw/zinc/74/69/70/569746970.db2.gz KACKWXIFPSFNRE-XMMPIXPASA-N 0 0 482.625 3.268 50 0 JGAARN 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COc1ccc(CC(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1OC ZINC000064930251 523893213 /nfs/dbraw/zinc/89/32/13/523893213.db2.gz DTUAOJIOKWLGCY-INIZCTEOSA-N 0 0 496.545 3.443 50 0 JGAARN COCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c2)C1 ZINC000021710405 523911919 /nfs/dbraw/zinc/91/19/19/523911919.db2.gz CXJDNSFOWYUYLI-OAQYLSRUSA-N 0 0 487.622 3.226 50 0 JGAARN COCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215781 523915037 /nfs/dbraw/zinc/91/50/37/523915037.db2.gz XGJGZNVDNMEQFY-VXKWHMMOSA-N 0 0 463.490 3.357 50 0 JGAARN COCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3ccco3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036215786 523915376 /nfs/dbraw/zinc/91/53/76/523915376.db2.gz XGJGZNVDNMEQFY-FCHUYYIVSA-N 0 0 463.490 3.357 50 0 JGAARN COC(=O)[C@H](NC(=O)N1CCN(Cc2nc3cccnc3n2-c2cccc(C)c2)CC1)c1ccccc1 ZINC000064957035 523917911 /nfs/dbraw/zinc/91/79/11/523917911.db2.gz GBIDRWSVLQGWHG-RUZDIDTESA-N 0 0 498.587 3.470 50 0 JGAARN COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3cccnc3)cc2)OC(=O)N1Cc1cccc(F)c1 ZINC000036221031 523922096 /nfs/dbraw/zinc/92/20/96/523922096.db2.gz XAZYVIOWHUMZCJ-PKTZIBPZSA-N 0 0 492.507 3.298 50 0 JGAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccccc2)CC3)CC1 ZINC000034758414 523929959 /nfs/dbraw/zinc/92/99/59/523929959.db2.gz KYHLTGZHBVWSDV-UHFFFAOYSA-N 0 0 465.504 3.497 50 0 JGAARN CCc1ccc(CNC(=O)C2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000033301022 523932386 /nfs/dbraw/zinc/93/23/86/523932386.db2.gz ZIDHJCUXEPBVBU-UHFFFAOYSA-N 0 0 470.639 3.351 50 0 JGAARN COc1ccc(CCN(C(C)=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000095349894 523939262 /nfs/dbraw/zinc/93/92/62/523939262.db2.gz YVZTWMLZMRVJBJ-SFHVURJKSA-N 0 0 475.339 3.189 50 0 JGAARN CN(C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000014877339 523944772 /nfs/dbraw/zinc/94/47/72/523944772.db2.gz ASCZHXLEXAQOOM-CQSZACIVSA-N 0 0 477.391 3.053 50 0 JGAARN COc1ccc(CCNC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1OC 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CC[C@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CCCCCC(=O)Nc2ccccc2)c1=O ZINC000008593226 523977146 /nfs/dbraw/zinc/97/71/46/523977146.db2.gz JWRVIRQLMPMFEJ-KRWDZBQOSA-N 0 0 470.595 3.339 50 0 JGAARN CCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000033021593 523980691 /nfs/dbraw/zinc/98/06/91/523980691.db2.gz CFNCGTPINWLYAM-AWEZNQCLSA-N 0 0 492.985 3.160 50 0 JGAARN COc1ccc(CCn2c3nn(Cc4ccccc4)c(=O)n3c3ccsc3c2=O)cc1OC ZINC000064946370 523986027 /nfs/dbraw/zinc/98/60/27/523986027.db2.gz GWQODBMZYWUJJW-UHFFFAOYSA-N 0 0 462.531 3.181 50 0 JGAARN COc1ccc(CCn2c3nn(Cc4cccc(C)c4)c(=O)n3c3ccsc3c2=O)cc1OC ZINC000064946368 523986525 /nfs/dbraw/zinc/98/65/25/523986525.db2.gz CIVYQDRKNQQTST-UHFFFAOYSA-N 0 0 476.558 3.489 50 0 JGAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036211490 523987938 /nfs/dbraw/zinc/98/79/38/523987938.db2.gz MNOPHOOQMXQVTE-HJPURHCSSA-N 0 0 483.540 3.120 50 0 JGAARN CN1CCc2c(sc3nc(NCCCN4CCOCC4)n(-c4cccc(Cl)c4)c(=O)c23)C1 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Cc1c(NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000001174819 553925551 /nfs/dbraw/zinc/92/55/51/553925551.db2.gz BXBBTPNMXQAEAZ-SFHVURJKSA-N 0 0 497.555 3.494 50 0 JGAARN Cc1ccc2c(C)nc(NC3=N[C@@H](C(=O)Nc4ccc(Br)cc4)CC(=O)N3)nc2c1 ZINC000001175177 553925686 /nfs/dbraw/zinc/92/56/86/553925686.db2.gz XFHKELQWMMKJEE-QGZVFWFLSA-N 0 0 467.327 3.304 50 0 JGAARN CCOC(=O)[C@@]1(C(=O)c2ccc(N)cc2)C(=O)N(C(=O)c2ccc(N)cc2)C[C@@H]1c1ccccc1 ZINC000001196783 553931095 /nfs/dbraw/zinc/93/10/95/553931095.db2.gz RNHLUENEGKOEFJ-AMGIVPHBSA-N 0 0 471.513 3.050 50 0 JGAARN CCCCOC(=O)[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000002062915 554018441 /nfs/dbraw/zinc/01/84/41/554018441.db2.gz KBTUHDHLPPXMPY-OAQYLSRUSA-N 0 0 462.502 3.461 50 0 JGAARN COCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002072044 554022415 /nfs/dbraw/zinc/02/24/15/554022415.db2.gz QZUNAYIUHRXNBI-UHFFFAOYSA-N 0 0 455.374 3.106 50 0 JGAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002091723 554035085 /nfs/dbraw/zinc/03/50/85/554035085.db2.gz CENIOPFTWILILI-DPLHUUCSSA-N 0 0 486.572 3.236 50 0 biogenic JGAARN CCc1cc(=O)oc2cc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C(=O)OC)ccc12 ZINC000002093160 554036745 /nfs/dbraw/zinc/03/67/45/554036745.db2.gz DBOGDAOJZKZMNL-JOCHJYFZSA-N 0 0 460.486 3.342 50 0 JGAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002093233 554036844 /nfs/dbraw/zinc/03/68/44/554036844.db2.gz MNVNOCJZMRGAPO-VLIAUNLRSA-N 0 0 480.395 3.401 50 0 JGAARN O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002095491 554039920 /nfs/dbraw/zinc/03/99/20/554039920.db2.gz CSPVNYVYRVFENR-QTEQDKRBSA-N 0 0 474.536 3.366 50 0 biogenic JGAARN CCc1ccccc1NC(=O)[C@H](CCSC)NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002095325 554039975 /nfs/dbraw/zinc/03/99/75/554039975.db2.gz XKTBFECTGPHMMU-LMNJBCLMSA-N 0 0 468.623 3.300 50 0 biogenic JGAARN COCCN1CC(=O)N2[C@H](c3ccc(OC(C)C)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002108552 554048499 /nfs/dbraw/zinc/04/84/99/554048499.db2.gz WZOJNNKFPDBRLV-HFZDXXHNSA-N 0 0 477.561 3.295 50 0 biogenic JGAARN COCCN1CC(=O)N2[C@H](c3ccc(Br)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002110842 554049751 /nfs/dbraw/zinc/04/97/51/554049751.db2.gz PMNCMCFUFDBIAD-SIKLNZKXSA-N 0 0 468.351 3.262 50 0 biogenic JGAARN Cc1cc(O[C@H](C)C(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002111878 554050465 /nfs/dbraw/zinc/05/04/65/554050465.db2.gz PMSDGSYVHUPNDU-BIALHBOASA-N 0 0 496.604 3.017 50 0 biogenic JGAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000002153262 554071068 /nfs/dbraw/zinc/07/10/68/554071068.db2.gz HUOOUVBWVWTFJT-UHFFFAOYSA-N 0 0 497.548 3.376 50 0 biogenic JGAARN CCOC(=O)c1cccc(NC(=O)[C@H](CC(C)C)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000002161175 554074331 /nfs/dbraw/zinc/07/43/31/554074331.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002288275 554133710 /nfs/dbraw/zinc/13/37/10/554133710.db2.gz GIVZAVYCQVLKCH-CNSVBDKNSA-N 0 0 496.972 3.238 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002288273 554133740 /nfs/dbraw/zinc/13/37/40/554133740.db2.gz GIVZAVYCQVLKCH-FNGUVFISSA-N 0 0 496.972 3.238 50 0 JGAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 ZINC000002290112 554134613 /nfs/dbraw/zinc/13/46/13/554134613.db2.gz YCFNVGUISWGOPW-UHFFFAOYSA-N 0 0 455.536 3.296 50 0 JGAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002330134 554151050 /nfs/dbraw/zinc/15/10/50/554151050.db2.gz XLKKZHOLKQHUBG-FQEVSTJZSA-N 0 0 480.904 3.455 50 0 JGAARN Cc1ccc(N2C(=O)[C@H](C(=O)N3CCOCC3)[C@@H](c3ccc(N(C)C)cc3)C(C)(C)C2=O)cc1 ZINC000002367818 554168524 /nfs/dbraw/zinc/16/85/24/554168524.db2.gz GOKKDVQCOOJHDX-XZOQPEGZSA-N 0 0 463.578 3.219 50 0 JGAARN COc1ccccc1-c1nc2s/c(=C3/c4ccccc4N(Cc4ccccc4F)C3=O)c(=O)n2n1 ZINC000002369212 554169462 /nfs/dbraw/zinc/16/94/62/554169462.db2.gz TWKGQDTZBAWFIB-DQRAZIAOSA-N 0 0 484.512 3.430 50 0 JGAARN COc1ccccc1-c1nc2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2n1 ZINC000002371829 554170904 /nfs/dbraw/zinc/17/09/04/554170904.db2.gz WJHQELJQULYJQK-DQRAZIAOSA-N 0 0 484.512 3.430 50 0 JGAARN COc1cc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc(OC)c1OC ZINC000002373284 554171917 /nfs/dbraw/zinc/17/19/17/554171917.db2.gz KNGVHBMYGGZYNI-PXNMLYILSA-N 0 0 474.336 3.154 50 0 JGAARN O=C([C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000002398730 554184361 /nfs/dbraw/zinc/18/43/61/554184361.db2.gz AKRWSCZQWKMELB-WNOPAQSVSA-N 0 0 477.026 3.383 50 0 JGAARN CCCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC ZINC000002415493 554194777 /nfs/dbraw/zinc/19/47/77/554194777.db2.gz JLAFHSVHPOFAFV-JCMHNJIXSA-N 0 0 481.549 3.366 50 0 JGAARN COc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002417046 554195718 /nfs/dbraw/zinc/19/57/18/554195718.db2.gz CEOSAAZXFHTXSK-MRXNPFEDSA-N 0 0 451.310 3.363 50 0 JGAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000002432347 554205574 /nfs/dbraw/zinc/20/55/74/554205574.db2.gz LHAYGBIUFLNHHL-SFHVURJKSA-N 0 0 455.536 3.160 50 0 JGAARN CCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002433796 554206545 /nfs/dbraw/zinc/20/65/45/554206545.db2.gz QVFOCGRZXDDYOY-HXUWFJFHSA-N 0 0 496.516 3.082 50 0 JGAARN CN1CCc2c(sc3c2c(=O)n(-c2cccc(Cl)c2)c(=O)n3CCN2CCCCC2)C1 ZINC000002438719 554208670 /nfs/dbraw/zinc/20/86/70/554208670.db2.gz RVBGPBQCLCDGGK-UHFFFAOYSA-N 0 0 459.015 3.341 50 0 JGAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 ZINC000002442055 554210024 /nfs/dbraw/zinc/21/00/24/554210024.db2.gz ZEFRTCHPFGJLGB-UHFFFAOYSA-N 0 0 483.550 3.452 50 0 JGAARN COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n2N)cc1OC ZINC000002448050 554215239 /nfs/dbraw/zinc/21/52/39/554215239.db2.gz MVYDUAKTUIGIQW-UHFFFAOYSA-N 0 0 463.947 3.377 50 0 JGAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000002448315 554215757 /nfs/dbraw/zinc/21/57/57/554215757.db2.gz YBEJZHSGYIXJGF-UHFFFAOYSA-N 0 0 465.560 3.313 50 0 JGAARN CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NC3CCCC3)c2=O)CCC4)cc1 ZINC000002467493 554224150 /nfs/dbraw/zinc/22/41/50/554224150.db2.gz YHTRJZHNJYFSMP-UHFFFAOYSA-N 0 0 453.564 3.160 50 0 JGAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2nnc(CC)s2)CCS3)cc1 ZINC000002496864 554228611 /nfs/dbraw/zinc/22/86/11/554228611.db2.gz VRMPUEIOZSQTCO-UHFFFAOYSA-N 0 0 475.621 3.424 50 0 JGAARN CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)cc1 ZINC000002520497 554232331 /nfs/dbraw/zinc/23/23/31/554232331.db2.gz LHECNFHYJKNOQJ-RNHBDSLOSA-N 0 0 478.570 3.206 50 0 JGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)cc1 ZINC000002618901 554243622 /nfs/dbraw/zinc/24/36/22/554243622.db2.gz MZTKZVGZRFOUJB-UHFFFAOYSA-N 0 0 463.610 3.131 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2C)c1 ZINC000002619817 554244519 /nfs/dbraw/zinc/24/45/19/554244519.db2.gz WQACMLAJINZGKW-UHFFFAOYSA-N 0 0 487.651 3.230 50 0 JGAARN Cc1c(NC(=O)[C@H](C)OC(=O)COc2cccc3c2OC(C)(C)C3)c(=O)n(-c2ccccc2)n1C ZINC000002619864 554244524 /nfs/dbraw/zinc/24/45/24/554244524.db2.gz YSSOKDOBHZVTCI-KRWDZBQOSA-N 0 0 479.533 3.147 50 0 JGAARN O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002620062 554244874 /nfs/dbraw/zinc/24/48/74/554244874.db2.gz LUMQLJMYBXKKBO-UHFFFAOYSA-N 0 0 493.611 3.046 50 0 JGAARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000002625756 554249688 /nfs/dbraw/zinc/24/96/88/554249688.db2.gz ROKIMYCTUJIKIR-NRFANRHFSA-N 0 0 460.486 3.136 50 0 JGAARN COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1Cl ZINC000002630213 554252683 /nfs/dbraw/zinc/25/26/83/554252683.db2.gz GEKIHSKBEYGCCZ-HXUWFJFHSA-N 0 0 453.829 3.356 50 0 JGAARN O=C(CSc1ncccc1C(=O)NC[C@H]1COc2ccccc2O1)Nc1ccc2c(c1)OCO2 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COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCn4ccnc4)CC(=O)N23)c1 ZINC000008917976 554813799 /nfs/dbraw/zinc/81/37/99/554813799.db2.gz IOWQGRRXZHHWQO-JYFHCDHNSA-N 0 0 469.545 3.148 50 0 biogenic JGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NC[C@@H]2CCCO2)C(=O)[C@]31C ZINC000008918405 554814772 /nfs/dbraw/zinc/81/47/72/554814772.db2.gz SWNXCHNBTBRCPM-SOKVYYICSA-N 0 0 488.544 3.325 50 0 biogenic JGAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccnc4)CC(=O)N23)c1 ZINC000008918562 554815319 /nfs/dbraw/zinc/81/53/19/554815319.db2.gz SOJWHJVYEYLILC-WNCULLNHSA-N 0 0 482.540 3.465 50 0 biogenic JGAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4c5ccccc5NC(=O)C[C@@H]4C)C3=O)ccc2c1 ZINC000008922913 554819958 /nfs/dbraw/zinc/81/99/58/554819958.db2.gz XXEFFXQQJMKRKS-RKOGDMNLSA-N 0 0 486.528 3.379 50 0 JGAARN CCOC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000008927746 554825433 /nfs/dbraw/zinc/82/54/33/554825433.db2.gz DHTADZTVOBESDV-SFHVURJKSA-N 0 0 472.519 3.410 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CCOc1ccc(N(CC(=O)N[C@@H]2CCCC[C@@H]2O)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000008958895 554837202 /nfs/dbraw/zinc/83/72/02/554837202.db2.gz UYZGIAJGLJQTJZ-YADHBBJMSA-N 0 0 478.636 3.422 50 0 JGAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)c(OC)c1 ZINC000008964965 554839007 /nfs/dbraw/zinc/83/90/07/554839007.db2.gz VPDVACKQOXFFSM-WLGHQHAYSA-N 0 0 455.539 3.383 50 0 JGAARN CCc1nn([C@@H](CC)C(=O)NCCc2ccc(OC)cc2OC)c(=O)c2cc3occc3n21 ZINC000008965089 554839234 /nfs/dbraw/zinc/83/92/34/554839234.db2.gz GGLFMBQDQSYQQM-KRWDZBQOSA-N 0 0 452.511 3.132 50 0 JGAARN CCOc1ccc(Oc2ccc(S(=O)(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000008965906 554841251 /nfs/dbraw/zinc/84/12/51/554841251.db2.gz QAOLRPWWQWKXSL-XMSQKQJNSA-N 0 0 495.619 3.234 50 0 JGAARN O=C([C@@H]1COc2ccccc2O1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000008971976 554844380 /nfs/dbraw/zinc/84/43/80/554844380.db2.gz HUTCHERRHNGPKY-MBSDFSHPSA-N 0 0 471.506 3.441 50 0 JGAARN COc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000008981220 554847040 /nfs/dbraw/zinc/84/70/40/554847040.db2.gz OMJYTBQDRTYAFQ-UHFFFAOYSA-N 0 0 496.585 3.225 50 0 JGAARN O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008984132 554848118 /nfs/dbraw/zinc/84/81/18/554848118.db2.gz UAZSMLGEPNHZDH-DEOSSOPVSA-N 0 0 457.505 3.382 50 0 JGAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1S(=O)(=O)N(C)C ZINC000008984591 554848371 /nfs/dbraw/zinc/84/83/71/554848371.db2.gz SRDGRQUBKKLQJW-UHFFFAOYSA-N 0 0 477.764 3.379 50 0 JGAARN C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000008990593 554851988 /nfs/dbraw/zinc/85/19/88/554851988.db2.gz BTSDTKSPMCFTON-KQLGTBKOSA-N 0 0 471.623 3.153 50 0 JGAARN CC(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000008993752 554854144 /nfs/dbraw/zinc/85/41/44/554854144.db2.gz CRDFUQJGPCPREF-URXFXBBRSA-N 0 0 471.941 3.392 50 0 JGAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000008994606 554854586 /nfs/dbraw/zinc/85/45/86/554854586.db2.gz YTCNSNZHGOIWAK-RCDICMHDSA-N 0 0 490.896 3.173 50 0 biogenic JGAARN Cc1cccc2nc(CN(C3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c3ccc(C(C)C)cc3)cc(=O)n12 ZINC000009003898 554859691 /nfs/dbraw/zinc/85/96/91/554859691.db2.gz HUQJRPMQVNEBEH-NHCUHLMSSA-N 0 0 482.631 3.401 50 0 JGAARN COc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1C ZINC000009005353 554860177 /nfs/dbraw/zinc/86/01/77/554860177.db2.gz UMZRBORJRAJFSB-QFIPXVFZSA-N 0 0 460.577 3.201 50 0 JGAARN Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000009016306 554866456 /nfs/dbraw/zinc/86/64/56/554866456.db2.gz RJUIWPLDATVMNQ-UHFFFAOYSA-N 0 0 486.359 3.452 50 0 JGAARN O=C(/C=C\c1ccc2c(c1)OCO2)NCCn1ncc2c1ncn(Cc1cccc3ccccc31)c2=O ZINC000009016556 554866461 /nfs/dbraw/zinc/86/64/61/554866461.db2.gz WQEHIXCYFMLTDT-LUAWRHEFSA-N 0 0 493.523 3.353 50 0 JGAARN Cc1ccccc1-n1ncc2c1nc(SCC(=O)N1CCN(c3ccccc3)CC1)[nH]c2=O ZINC000009018901 554866780 /nfs/dbraw/zinc/86/67/80/554866780.db2.gz FXEQAMXIMFEOGH-UHFFFAOYSA-N 0 0 460.563 3.270 50 0 JGAARN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1 ZINC000009033747 554867953 /nfs/dbraw/zinc/86/79/53/554867953.db2.gz ZGEXQSMFYMZHBJ-AZUAARDMSA-N 0 0 493.585 3.307 50 0 biogenic JGAARN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 ZINC000009041937 554869213 /nfs/dbraw/zinc/86/92/13/554869213.db2.gz HHJUYRADSUKPBR-NRFANRHFSA-N 0 0 496.589 3.470 50 0 JGAARN CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000009051023 554872015 /nfs/dbraw/zinc/87/20/15/554872015.db2.gz RTZBGGMABWRUPV-DYESRHJHSA-N 0 0 497.573 3.293 50 0 JGAARN C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009050968 554872021 /nfs/dbraw/zinc/87/20/21/554872021.db2.gz KOWWVHKLRBPLFB-GFCCVEGCSA-N 0 0 467.902 3.409 50 0 JGAARN COc1ccc([C@H](NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 ZINC000009051472 554872155 /nfs/dbraw/zinc/87/21/55/554872155.db2.gz SQPHTSFYNRHZLE-AREMUKBSSA-N 0 0 496.585 3.001 50 0 JGAARN COc1ccccc1-n1c(SCC(=O)NC(=O)c2cccn2C)nnc1-c1cccs1 ZINC000009056141 554873999 /nfs/dbraw/zinc/87/39/99/554873999.db2.gz HQXCFZWWDKLNTB-UHFFFAOYSA-N 0 0 453.549 3.392 50 0 JGAARN COc1ccc(C2=NN(C(=O)CSc3nnnn3-c3ccc(O)cc3)[C@H](c3ccco3)C2)cc1 ZINC000009056211 554874297 /nfs/dbraw/zinc/87/42/97/554874297.db2.gz PTYKUXBHPGRFDV-FQEVSTJZSA-N 0 0 476.518 3.440 50 0 JGAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000009056690 554875478 /nfs/dbraw/zinc/87/54/78/554875478.db2.gz YIOYRIXWABSRQI-LJQANCHMSA-N 0 0 497.642 3.489 50 0 JGAARN CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1 ZINC000009059302 554877921 /nfs/dbraw/zinc/87/79/21/554877921.db2.gz VMPJKQMEIKJAMI-LFVJCYFKSA-N 0 0 472.497 3.242 50 0 JGAARN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)OCc1ccccc1 ZINC000009060778 554878810 /nfs/dbraw/zinc/87/88/10/554878810.db2.gz MWUKFNMFKHTZBE-ROUUACIJSA-N 0 0 450.969 3.158 50 0 JGAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 ZINC000009076324 554887696 /nfs/dbraw/zinc/88/76/96/554887696.db2.gz JGCJTZYXXRWQMW-WSOYEBOPSA-N 0 0 495.491 3.185 50 0 JGAARN Cc1csc(CC(=O)N2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)n1 ZINC000009076898 554888363 /nfs/dbraw/zinc/88/83/63/554888363.db2.gz ZNVCSVANMUAQLP-UHFFFAOYSA-N 0 0 454.577 3.292 50 0 JGAARN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000009095456 554893293 /nfs/dbraw/zinc/89/32/93/554893293.db2.gz HRJPMKKCIVVQMJ-UHFFFAOYSA-N 0 0 481.574 3.224 50 0 JGAARN O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000009095580 554893509 /nfs/dbraw/zinc/89/35/09/554893509.db2.gz XARLEDFWUSYJOB-UHFFFAOYSA-N 0 0 459.568 3.382 50 0 JGAARN COc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2=O)c1 ZINC000009095596 554893547 /nfs/dbraw/zinc/89/35/47/554893547.db2.gz NFAVOZXXJRILGB-SFHVURJKSA-N 0 0 471.579 3.252 50 0 JGAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@@H](C(=O)Nc4cc(F)cc(F)c4)CC3=O)cc2)CC1 ZINC000009095674 554893752 /nfs/dbraw/zinc/89/37/52/554893752.db2.gz SEAVIWVZQGCEAD-INIZCTEOSA-N 0 0 477.533 3.377 50 0 JGAARN COc1ccccc1N1CCN(C(=O)CSc2nnc(COc3cccc(C)c3)o2)CC1 ZINC000009095858 554893985 /nfs/dbraw/zinc/89/39/85/554893985.db2.gz YEXHEUKTLHIVOO-UHFFFAOYSA-N 0 0 454.552 3.407 50 0 JGAARN CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000009095918 554894187 /nfs/dbraw/zinc/89/41/87/554894187.db2.gz UZCHQTPQAOQCFE-HXUWFJFHSA-N 0 0 493.589 3.237 50 0 JGAARN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(C)c2)cc1 ZINC000009096292 554894628 /nfs/dbraw/zinc/89/46/28/554894628.db2.gz XXIGVAXMWGFXFY-UHFFFAOYSA-N 0 0 455.536 3.285 50 0 JGAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000009096844 554895440 /nfs/dbraw/zinc/89/54/40/554895440.db2.gz FUAJNXBRUJYVBD-UHFFFAOYSA-N 0 0 470.591 3.109 50 0 JGAARN O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000009111796 554899431 /nfs/dbraw/zinc/89/94/31/554899431.db2.gz RHFOZBVHTOCJGS-UHFFFAOYSA-N 0 0 451.548 3.425 50 0 JGAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000009112200 554899721 /nfs/dbraw/zinc/89/97/21/554899721.db2.gz SJPJCWZVRAHTFP-UHFFFAOYSA-N 0 0 489.491 3.121 50 0 JGAARN COc1ccc(Br)cc1CNC(=O)[C@H](C)n1c(=O)c2cccn2c2cccnc21 ZINC000009114985 554901691 /nfs/dbraw/zinc/90/16/91/554901691.db2.gz FVHQUVSDXRPWMS-ZDUSSCGKSA-N 0 0 455.312 3.298 50 0 JGAARN COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccco3)c2=O)cc1OC ZINC000009116517 554904637 /nfs/dbraw/zinc/90/46/37/554904637.db2.gz UPWMAGQKXSSUSQ-UHFFFAOYSA-N 0 0 475.457 3.207 50 0 JGAARN COc1ccc(Cn2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000009116601 554904823 /nfs/dbraw/zinc/90/48/23/554904823.db2.gz IOCAZDSSXVFXTD-UHFFFAOYSA-N 0 0 499.479 3.334 50 0 JGAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4ccccc4F)nn32)cc1 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NC(=O)N[C@H](CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1F ZINC000032796290 556495345 /nfs/dbraw/zinc/49/53/45/556495345.db2.gz CWWRAENYJAVHMK-GOSISDBHSA-N 0 0 467.328 3.217 50 0 JGAARN O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000032797266 556496142 /nfs/dbraw/zinc/49/61/42/556496142.db2.gz XPVODZAAQSGMTL-JOCHJYFZSA-N 0 0 469.538 3.345 50 0 JGAARN Cc1ccc(CNC(=O)[C@H](C)N2CCCN([C@@H](C)C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000032797142 556496335 /nfs/dbraw/zinc/49/63/35/556496335.db2.gz YHFFZNMRHGPUCJ-GOTSBHOMSA-N 0 0 450.627 3.021 50 0 JGAARN Cc1cccc(N2C[C@@H](C(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)CC2=O)c1C ZINC000032808570 556497978 /nfs/dbraw/zinc/49/79/78/556497978.db2.gz DVTXJSQRPZOEMN-NRFANRHFSA-N 0 0 481.618 3.420 50 0 JGAARN Cc1ccc(N2C[C@@H](C(=O)N3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)CC2=O)cc1 ZINC000032808577 556497984 /nfs/dbraw/zinc/49/79/84/556497984.db2.gz QQXNBEJDGFJXMA-FQEVSTJZSA-N 0 0 467.591 3.112 50 0 JGAARN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COc1cc2nc(-c3ccccc3)cc(C)n2n1 ZINC000032810260 556500963 /nfs/dbraw/zinc/50/09/63/556500963.db2.gz YZECAOMTOAPQLG-UHFFFAOYSA-N 0 0 493.545 3.368 50 0 JGAARN COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4cccc(Cl)c4)nn32)cc(OC)c1OC ZINC000032816970 556503050 /nfs/dbraw/zinc/50/30/50/556503050.db2.gz ZNCKNVQJCBXXFT-SFHVURJKSA-N 0 0 455.902 3.399 50 0 JGAARN O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000032843432 556509213 /nfs/dbraw/zinc/50/92/13/556509213.db2.gz ZRJRIQHATDBXCJ-UHFFFAOYSA-N 0 0 476.961 3.261 50 0 JGAARN O=C(c1c[nH]nc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000032856151 556512564 /nfs/dbraw/zinc/51/25/64/556512564.db2.gz OFCIORYFDMRUBK-UHFFFAOYSA-N 0 0 464.469 3.242 50 0 JGAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032856083 556512696 /nfs/dbraw/zinc/51/26/96/556512696.db2.gz AKNCENDUUBTZAX-UHFFFAOYSA-N 0 0 499.495 3.117 50 0 JGAARN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3CC(C)C)C2=O)c1 ZINC000032857696 556512902 /nfs/dbraw/zinc/51/29/02/556512902.db2.gz CAHUNHBPWITNJQ-XMMPIXPASA-N 0 0 481.578 3.291 50 0 JGAARN CCOC(=O)C1=C(CN2CCn3cccc3[C@@H]2C)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000032857902 556513147 /nfs/dbraw/zinc/51/31/47/556513147.db2.gz YZYQEWYOABUDBJ-VBKZILBWSA-N 0 0 460.481 3.337 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000032863076 556514833 /nfs/dbraw/zinc/51/48/33/556514833.db2.gz VARNSKNJQXKVIH-LJQANCHMSA-N 0 0 474.627 3.319 50 0 JGAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000032865727 556516131 /nfs/dbraw/zinc/51/61/31/556516131.db2.gz QZWGTTLFICLLJU-FQEVSTJZSA-N 0 0 452.946 3.366 50 0 JGAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2c3ccccc3O[C@H](C)C2=O)cc1 ZINC000032869046 556517018 /nfs/dbraw/zinc/51/70/18/556517018.db2.gz WECJUWMYOQXASE-GOSISDBHSA-N 0 0 473.529 3.420 50 0 JGAARN CCCN(CC(=O)Nc1ccc(I)cc1)Cc1nc2ccsc2c(=O)[nH]1 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524038669 /nfs/dbraw/zinc/03/86/69/524038669.db2.gz MAGCUUHYAUSICN-UHFFFAOYSA-N 0 0 457.534 3.161 50 0 JGAARN COc1ccc(CN2CCc3nc(SCC(=O)NCc4ccccc4)[nH]c(=O)c3C2)cc1 ZINC000020467752 524039752 /nfs/dbraw/zinc/03/97/52/524039752.db2.gz AFBRSPMCFYZDOR-UHFFFAOYSA-N 0 0 450.564 3.158 50 0 JGAARN COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)Cc3cc(F)ccc3F)CC2=O)cc1 ZINC000014748015 524041378 /nfs/dbraw/zinc/04/13/78/524041378.db2.gz PILQNUPYIWNMLU-XMMPIXPASA-N 0 0 495.526 3.367 50 0 JGAARN COc1ccc(CNC(=O)C2CCC(CNc3c(=O)c(=O)c3N3CCC(C)CC3)CC2)cc1 ZINC000020418517 524045329 /nfs/dbraw/zinc/04/53/29/524045329.db2.gz BRBVBDCUIVOENB-UHFFFAOYSA-N 0 0 453.583 3.062 50 0 JGAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)cc1 ZINC000085642632 524046196 /nfs/dbraw/zinc/04/61/96/524046196.db2.gz ZKYXHJMBNDPNGY-UHFFFAOYSA-N 0 0 482.606 3.215 50 0 JGAARN COc1ccc(CNC(=O)C2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cc1OC ZINC000033256264 524046244 /nfs/dbraw/zinc/04/62/44/524046244.db2.gz 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COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000002308820 554142885 /nfs/dbraw/zinc/14/28/85/554142885.db2.gz BZRPIKSEVJFQHU-HXUWFJFHSA-N 0 0 470.503 3.339 50 0 JGAARN Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc(=O)c2c1 ZINC000002343052 554156953 /nfs/dbraw/zinc/15/69/53/554156953.db2.gz RVPFYVSSZZCZNW-IRXDYDNUSA-N 0 0 470.547 3.460 50 0 JGAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccs3)c(=O)n21 ZINC000002348329 554159938 /nfs/dbraw/zinc/15/99/38/554159938.db2.gz USVQNESAEIRHMI-LVSKKATPSA-N 0 0 484.599 3.267 50 0 JGAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(N)=O)n23)CS1 ZINC000002350651 554161264 /nfs/dbraw/zinc/16/12/64/554161264.db2.gz KTLKQSNHPJSZEZ-UHFFFAOYSA-N 0 0 457.606 3.240 50 0 JGAARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C\c3cccs3)c(=O)n21 ZINC000002353357 554162808 /nfs/dbraw/zinc/16/28/08/554162808.db2.gz PFMZFDLTERQYFR-LVSKKATPSA-N 0 0 454.573 3.259 50 0 JGAARN COc1cc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000002387623 554178215 /nfs/dbraw/zinc/17/82/15/554178215.db2.gz XPLYXNJZFGJQHV-YVLHZVERSA-N 0 0 486.347 3.371 50 0 JGAARN COc1ccc([C@@H]2[C@@H](C(C)=O)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC2(CCCC2)OC3=O)cc1 ZINC000002387244 554178266 /nfs/dbraw/zinc/17/82/66/554178266.db2.gz QNWBJJHDGCDUMK-DNVJHFABSA-N 0 0 474.513 3.498 50 0 JGAARN Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1Cl ZINC000002391023 554179622 /nfs/dbraw/zinc/17/96/22/554179622.db2.gz YDNTYKAKKNKIAD-UHFFFAOYSA-N 0 0 452.323 3.468 50 0 JGAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1c(Cl)cccc1Cl ZINC000002396739 554183372 /nfs/dbraw/zinc/18/33/72/554183372.db2.gz GDALMLQVASYVJT-UHFFFAOYSA-N 0 0 459.376 3.188 50 0 JGAARN CC(=O)c1ccc(-c2ccc(C=c3sc4nc(=O)c(Cc5ccc(C)cc5)nn4c3=O)o2)cc1 ZINC000002407906 554189838 /nfs/dbraw/zinc/18/98/38/554189838.db2.gz KGQSJHQLELODKH-UCQKPKSFSA-N 0 0 469.522 3.421 50 0 JGAARN NC(=O)COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002407474 554189850 /nfs/dbraw/zinc/18/98/50/554189850.db2.gz YXARNHFQSDJXAY-IIBYNOLFSA-N 0 0 468.893 3.035 50 0 JGAARN COc1ccc(CN2C(=O)N[C@@](NC(=O)c3ccc(OC(C)C)cc3)(C(F)(F)F)C2=O)cc1 ZINC000002410083 554191319 /nfs/dbraw/zinc/19/13/19/554191319.db2.gz CLKMEHKBKHWYML-OAQYLSRUSA-N 0 0 465.428 3.427 50 0 JGAARN COc1ccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc43)ccc2OC)cc1 ZINC000002414774 554194245 /nfs/dbraw/zinc/19/42/45/554194245.db2.gz UZZOQODMHIBYLI-UHFFFAOYSA-N 0 0 459.502 3.313 50 0 JGAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002435761 554207412 /nfs/dbraw/zinc/20/74/12/554207412.db2.gz MXXURYYHFHKORW-HXUWFJFHSA-N 0 0 480.904 3.455 50 0 JGAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccc(Br)cc1F ZINC000002467767 554224625 /nfs/dbraw/zinc/22/46/25/554224625.db2.gz LAYXIWUPYRVPNX-UHFFFAOYSA-N 0 0 472.270 3.345 50 0 JGAARN CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2cccs2)cc1)S(=O)(=O)c1cccs1 ZINC000002483520 554226342 /nfs/dbraw/zinc/22/63/42/554226342.db2.gz BEOMDLQPOSETLE-UHFFFAOYSA-N 0 0 484.602 3.293 50 0 JGAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cc(Br)ccc1OC ZINC000002486132 554226417 /nfs/dbraw/zinc/22/64/17/554226417.db2.gz CDBOZGDIIKXTDS-KRWDZBQOSA-N 0 0 469.357 3.298 50 0 JGAARN O=C(CCCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000002498304 554229026 /nfs/dbraw/zinc/22/90/26/554229026.db2.gz RZYQPLUUCBZGRZ-UHFFFAOYSA-N 0 0 495.532 3.237 50 0 JGAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000002619947 554244517 /nfs/dbraw/zinc/24/45/17/554244517.db2.gz OWJXXAMSTVSZRV-FQEVSTJZSA-N 0 0 450.278 3.170 50 0 JGAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 ZINC000002620293 554244895 /nfs/dbraw/zinc/24/48/95/554244895.db2.gz XYYXSVHDVONMGH-UHFFFAOYSA-N 0 0 471.513 3.089 50 0 JGAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000002628823 554251549 /nfs/dbraw/zinc/25/15/49/554251549.db2.gz XWDKVIVESLVUOS-UHFFFAOYSA-N 0 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C[C@@H](NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000002650653 554266722 /nfs/dbraw/zinc/26/67/22/554266722.db2.gz PXXWXTIVZMXJFG-CQSZACIVSA-N 0 0 473.378 3.473 50 0 JGAARN CCCCCCn1nc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c2ccccc2c1=O ZINC000002652279 554268228 /nfs/dbraw/zinc/26/82/28/554268228.db2.gz IKYZEYDBJJFRPR-UHFFFAOYSA-N 0 0 496.589 3.421 50 0 JGAARN O=C(CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)NCC(F)(F)F ZINC000002657598 554272629 /nfs/dbraw/zinc/27/26/29/554272629.db2.gz OKIAQSBQGBALQS-UHFFFAOYSA-N 0 0 475.452 3.265 50 0 JGAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2N)c1 ZINC000002664302 554277117 /nfs/dbraw/zinc/27/71/17/554277117.db2.gz KNQATNKEBSOHEV-UHFFFAOYSA-N 0 0 484.607 3.146 50 0 JGAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000002664590 554277689 /nfs/dbraw/zinc/27/76/89/554277689.db2.gz FCOHQHTYBGXQSU-INIZCTEOSA-N 0 0 477.590 3.190 50 0 JGAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(O)n2)cc1Cl 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/nfs/dbraw/zinc/37/30/30/554373030.db2.gz FNCPVTKLXFIYOI-NSHDSACASA-N 0 0 450.977 3.455 50 0 JGAARN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000002851746 554379946 /nfs/dbraw/zinc/37/99/46/554379946.db2.gz WSWGWQYPEXDQMO-UHFFFAOYSA-N 0 0 482.400 3.384 50 0 JGAARN COc1ccc(CCNC(=S)NCCCn2nc(C)c(Br)c2C)cc1OC ZINC000002853150 554381019 /nfs/dbraw/zinc/38/10/19/554381019.db2.gz HBUFUYFYPMULCW-UHFFFAOYSA-N 0 0 455.422 3.377 50 0 JGAARN COc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000002853684 554381532 /nfs/dbraw/zinc/38/15/32/554381532.db2.gz CQUCWWGCWABTAJ-SANMLTNESA-N 0 0 461.470 3.440 50 0 JGAARN COC(=O)c1sc2cc(NC(=S)NCc3ccc(S(N)(=O)=O)cc3)ccc2c1Cl ZINC000002858271 554384594 /nfs/dbraw/zinc/38/45/94/554384594.db2.gz DVAXUFRQRSFGFM-UHFFFAOYSA-N 0 0 469.997 3.475 50 0 JGAARN O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCCC(=O)Nc2ccccc2)s1 ZINC000002866200 554391751 /nfs/dbraw/zinc/39/17/51/554391751.db2.gz OOKSRMHZJHCVNP-UHFFFAOYSA-N 0 0 480.575 3.398 50 0 JGAARN 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COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000008938854 554831182 /nfs/dbraw/zinc/83/11/82/554831182.db2.gz RZJCHMYNUDOFIN-UHFFFAOYSA-N 0 0 462.568 3.458 50 0 JGAARN Cc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NCc1ccccc1 ZINC000008940111 554831552 /nfs/dbraw/zinc/83/15/52/554831552.db2.gz KCUHXBGVZIMJOK-OAQYLSRUSA-N 0 0 466.559 3.386 50 0 JGAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1 ZINC000008942797 554832410 /nfs/dbraw/zinc/83/24/10/554832410.db2.gz RUSTWKHGHKWTFR-GCJKJVERSA-N 0 0 469.563 3.462 50 0 JGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000008943411 554832539 /nfs/dbraw/zinc/83/25/39/554832539.db2.gz SAJHVUUHJIEPTN-UHFFFAOYSA-N 0 0 458.914 3.309 50 0 JGAARN COc1ccc(-c2nn(CC(=O)N3CCc4ccccc43)c(=O)c3nc(C)sc32)cc1OC ZINC000008955602 554836755 /nfs/dbraw/zinc/83/67/55/554836755.db2.gz QWONGMHFKIVEQG-UHFFFAOYSA-N 0 0 462.531 3.435 50 0 JGAARN COc1ccc(CCNC(=O)Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)cc1OC 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/nfs/dbraw/zinc/84/73/34/554847334.db2.gz QTLOLEPCSJQZEH-CQSZACIVSA-N 0 0 494.953 3.285 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3cccs3)CC2)cc1 ZINC000008987145 554849766 /nfs/dbraw/zinc/84/97/66/554849766.db2.gz WPVKDCGJQAWWHR-UHFFFAOYSA-N 0 0 454.573 3.434 50 0 JGAARN O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000008987416 554849840 /nfs/dbraw/zinc/84/98/40/554849840.db2.gz DFSYAUREQCFILM-UHFFFAOYSA-N 0 0 472.494 3.004 50 0 JGAARN COCCn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1ccc(Cl)cc1 ZINC000008988250 554850682 /nfs/dbraw/zinc/85/06/82/554850682.db2.gz DTOFXMCJFKEEOS-QGZVFWFLSA-N 0 0 474.970 3.293 50 0 JGAARN O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1CCc1ccc(F)cc1 ZINC000008994476 554854328 /nfs/dbraw/zinc/85/43/28/554854328.db2.gz FUNREDAYZSWTRQ-UHFFFAOYSA-N 0 0 460.509 3.489 50 0 JGAARN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1Cc1ccccc1 ZINC000008997524 554859205 /nfs/dbraw/zinc/85/92/05/554859205.db2.gz BEXWSKNRHHXTRK-UFHPHHKVSA-N 0 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O=C(CNC(=O)c1ccccc1OC(F)F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000014075465 555679772 /nfs/dbraw/zinc/67/97/72/555679772.db2.gz MJXRVDFHLFFLLP-UHFFFAOYSA-N 0 0 492.832 3.434 50 0 JGAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000014094385 555686467 /nfs/dbraw/zinc/68/64/67/555686467.db2.gz PRROFPCNYJALDD-LJQANCHMSA-N 0 0 452.532 3.083 50 0 JGAARN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000014095049 555687682 /nfs/dbraw/zinc/68/76/82/555687682.db2.gz HMCDUXGBEIPBFW-NRFANRHFSA-N 0 0 482.071 3.084 50 0 JGAARN COCCNC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1 ZINC000014111715 555690731 /nfs/dbraw/zinc/69/07/31/555690731.db2.gz HQCSEOZUBBHTHR-UHFFFAOYSA-N 0 0 454.548 3.467 50 0 JGAARN Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nn2)cc1 ZINC000010335897 555691016 /nfs/dbraw/zinc/69/10/16/555691016.db2.gz XRHGEYWRZWMSNG-UHFFFAOYSA-N 0 0 480.590 3.435 50 0 JGAARN Cc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1 ZINC000010335893 555691044 /nfs/dbraw/zinc/69/10/44/555691044.db2.gz WPYSHNCWCDJVGK-UHFFFAOYSA-N 0 0 466.563 3.045 50 0 JGAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 ZINC000020190273 555691502 /nfs/dbraw/zinc/69/15/02/555691502.db2.gz QEIDJICYAZGAOT-UHFFFAOYSA-N 0 0 464.385 3.417 50 0 JGAARN COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1 ZINC000014117479 555692755 /nfs/dbraw/zinc/69/27/55/555692755.db2.gz WSQNZJNXIKNOCR-LJQANCHMSA-N 0 0 459.550 3.492 50 0 JGAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000014120354 555694313 /nfs/dbraw/zinc/69/43/13/555694313.db2.gz PRSDTGXUTUGXKH-SWLSCSKDSA-N 0 0 457.618 3.446 50 0 JGAARN CCOc1cc([C@@H]2NC(=S)N(c3ccc4c(c3)OCCO4)C(C)=C2C(=O)OC)ccc1O ZINC000010353846 555695027 /nfs/dbraw/zinc/69/50/27/555695027.db2.gz RCMDFAYKZWHOJC-NRFANRHFSA-N 0 0 456.520 3.445 50 0 JGAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000020193943 555695313 /nfs/dbraw/zinc/69/53/13/555695313.db2.gz WSCMZKQUBXKNCZ-UHFFFAOYSA-N 0 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451.567 3.439 50 0 JGAARN O=C(CN1c2ccccc2[C@]2(SCC(=O)N2c2cccc(F)c2)C1=O)NCc1ccccc1 ZINC000020573955 555826588 /nfs/dbraw/zinc/82/65/88/555826588.db2.gz WTBHOPDHDIFUJD-VWLOTQADSA-N 0 0 461.518 3.422 50 0 JGAARN O=C1N[C@](c2ccccn2)(C2CCN(Cc3ccc(F)c(F)c3)CC2)C(=O)N1C[C@@H]1CCCO1 ZINC000011790576 555826609 /nfs/dbraw/zinc/82/66/09/555826609.db2.gz TXLUWDGOTVSGTD-DFBJGRDBSA-N 0 0 470.520 3.198 50 0 JGAARN O=C(CN1C(=O)[C@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21)NCc1ccco1 ZINC000020573960 555826869 /nfs/dbraw/zinc/82/68/69/555826869.db2.gz OQDLNOFEGDGFJL-HSZRJFAPSA-N 0 0 451.479 3.015 50 0 JGAARN Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)CC2=O)cs1 ZINC000014539125 555828907 /nfs/dbraw/zinc/82/89/07/555828907.db2.gz RVDNPMHQHZWPIC-OIBXWCBGSA-N 0 0 486.638 3.054 50 0 JGAARN CCOc1ccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)cc1OCC ZINC000020574350 555829133 /nfs/dbraw/zinc/82/91/33/555829133.db2.gz FMVHVXPXNDGUKH-UHFFFAOYSA-N 0 0 480.496 3.347 50 0 JGAARN 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O=C1CS(=O)(=O)[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)N1c1ccc(F)c(F)c1 ZINC000020577418 555832164 /nfs/dbraw/zinc/83/21/64/555832164.db2.gz PSCJGEGIGCZYLO-HSZRJFAPSA-N 0 0 472.444 3.265 50 0 JGAARN O=C1CS(=O)(=O)[C@]2(c3ccccc3N(Cc3cccc(F)c3)C2=O)N1c1cccc(F)c1 ZINC000020577451 555832225 /nfs/dbraw/zinc/83/22/25/555832225.db2.gz DFVQQGXIGCTYIZ-QHCPKHFHSA-N 0 0 454.454 3.126 50 0 JGAARN Cc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000020577403 555832238 /nfs/dbraw/zinc/83/22/38/555832238.db2.gz AGYRILXRNBRTOD-XMMPIXPASA-N 0 0 450.491 3.295 50 0 JGAARN O=C(COC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)Nc1ccc(CN2CCOCC2)cc1 ZINC000014573317 555835048 /nfs/dbraw/zinc/83/50/48/555835048.db2.gz PRAWJJPDTXCIJB-UHFFFAOYSA-N 0 0 471.941 3.095 50 0 JGAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2OC)C1 ZINC000020582397 555835496 /nfs/dbraw/zinc/83/54/96/555835496.db2.gz DSUNMZBJNCMPCY-QGZVFWFLSA-N 0 0 477.583 3.165 50 0 JGAARN 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Cc1ccc(-c2ccc(=O)n(CCOc3ccc(F)cc3)n2)cc1S(=O)(=O)N1CCCC1 ZINC000015669208 555923317 /nfs/dbraw/zinc/92/33/17/555923317.db2.gz UGPHOLGCMNVKOL-UHFFFAOYSA-N 0 0 457.527 3.221 50 0 JGAARN Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000015669228 555923623 /nfs/dbraw/zinc/92/36/23/555923623.db2.gz CZGPTVRLLRDIRZ-UHFFFAOYSA-N 0 0 477.945 3.080 50 0 JGAARN COCC(=O)Nc1cc2nc(-c3ccncc3)n(C)c2c(C(=O)NC[C@H]2OCCc3ccccc32)c1 ZINC000012151330 555923794 /nfs/dbraw/zinc/92/37/94/555923794.db2.gz JLWDATHYHAMWPX-HSZRJFAPSA-N 0 0 485.544 3.264 50 0 JGAARN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)COc4ccccc4)C2)[nH]c3=O)cc1 ZINC000015669713 555924150 /nfs/dbraw/zinc/92/41/50/555924150.db2.gz IYCFVNYCQIRLJD-IBGZPJMESA-N 0 0 458.522 3.069 50 0 JGAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 ZINC000022357531 555924930 /nfs/dbraw/zinc/92/49/30/555924930.db2.gz IOCASYJERJVJQM-LJQANCHMSA-N 0 0 494.617 3.441 50 0 JGAARN O=C(/C=C/c1cccc(F)c1)N1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 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/nfs/dbraw/zinc/26/47/61/556264761.db2.gz XCEXADNQMRQJDY-UHFFFAOYSA-N 0 0 482.562 3.323 50 0 JGAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)s1 ZINC000017733743 556265590 /nfs/dbraw/zinc/26/55/90/556265590.db2.gz KISKIZCXXBLTPE-UHFFFAOYSA-N 0 0 460.577 3.240 50 0 JGAARN Cn1ccnc1[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O)c1ccccc1F ZINC000026920545 556266158 /nfs/dbraw/zinc/26/61/58/556266158.db2.gz JWLJHQXJJLUEIG-RKLYKTOLSA-N 0 0 469.561 3.292 50 0 JGAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)c2)C1 ZINC000013070305 556267327 /nfs/dbraw/zinc/26/73/27/556267327.db2.gz JWDZBIVFSXIRQQ-ZIAGYGMSSA-N 0 0 461.609 3.255 50 0 JGAARN Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1=S ZINC000013070382 556267824 /nfs/dbraw/zinc/26/78/24/556267824.db2.gz FZIDGLFQSDIMEQ-HXUWFJFHSA-N 0 0 485.997 3.213 50 0 JGAARN CCn1c(Cc2ccccc2)nn(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1=S ZINC000013070797 556268352 /nfs/dbraw/zinc/26/83/52/556268352.db2.gz RLEXOFPZUJLFGX-UHFFFAOYSA-N 0 0 471.652 3.297 50 0 JGAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000017837548 556268475 /nfs/dbraw/zinc/26/84/75/556268475.db2.gz ARIIHRMELUOHNR-LIONHTAISA-N 0 0 479.492 3.219 50 0 biogenic JGAARN Cn1c(-c2ccccc2Cl)nn(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1=S ZINC000013071604 556269890 /nfs/dbraw/zinc/26/98/90/556269890.db2.gz NYPRAOKDWKPWGP-UHFFFAOYSA-N 0 0 470.045 3.297 50 0 JGAARN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 ZINC000013071721 556270178 /nfs/dbraw/zinc/27/01/78/556270178.db2.gz MGEQZNHXSJJIJE-UHFFFAOYSA-N 0 0 469.636 3.450 50 0 JGAARN Cc1cc(Br)c(OCC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 ZINC000017892472 556270408 /nfs/dbraw/zinc/27/04/08/556270408.db2.gz ZEPHQYZUQJCUDC-GFCCVEGCSA-N 0 0 481.206 3.077 50 0 JGAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000017909102 556270645 /nfs/dbraw/zinc/27/06/45/556270645.db2.gz KTTZFJVLPQDPOF-UHFFFAOYSA-N 0 0 474.561 3.259 50 0 JGAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc12 ZINC000017909014 556270769 /nfs/dbraw/zinc/27/07/69/556270769.db2.gz ZXYQVHZOMNUYPP-UHFFFAOYSA-N 0 0 470.570 3.305 50 0 JGAARN C[C@H](OC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000013072297 556270924 /nfs/dbraw/zinc/27/09/24/556270924.db2.gz MPARDCFCEWMOFB-QEJZJMRPSA-N 0 0 489.500 3.300 50 0 JGAARN CCOc1ccc(/C=c2\sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC ZINC000027022081 556271335 /nfs/dbraw/zinc/27/13/35/556271335.db2.gz YSBFCYNATJUMMN-HCYZRJLASA-N 0 0 465.531 3.294 50 0 JGAARN CCOc1cc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OC(C)=O ZINC000027023186 556271652 /nfs/dbraw/zinc/27/16/52/556271652.db2.gz NKUSELGLOMEUDK-KZBAPLJJSA-N 0 0 451.479 3.332 50 0 JGAARN Cc1ccccc1CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000017920568 556271779 /nfs/dbraw/zinc/27/17/79/556271779.db2.gz GWRILQSNOKITQE-CALCHBBNSA-N 0 0 450.988 3.419 50 0 JGAARN Cc1cccc(-c2nnc([C@@H](C)Sc3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)o2)c1 ZINC000017934798 556271789 /nfs/dbraw/zinc/27/17/89/556271789.db2.gz LCMXVAHHNULAIO-MRXNPFEDSA-N 0 0 459.597 3.229 50 0 JGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000027025367 556272147 /nfs/dbraw/zinc/27/21/47/556272147.db2.gz ZTLALWMDKKTPHJ-JKALPCAWSA-N 0 0 454.935 3.070 50 0 JGAARN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000017967458 556273272 /nfs/dbraw/zinc/27/32/72/556273272.db2.gz BRBRZCNNNUKVTD-NEWJYFPISA-N 0 0 479.471 3.301 50 0 JGAARN COc1ccccc1-c1nnc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1C1CCCCC1 ZINC000027082761 556273514 /nfs/dbraw/zinc/27/35/14/556273514.db2.gz UNSRRZJFPCSEJS-INIZCTEOSA-N 0 0 457.600 3.275 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4ccc5c(c4)OCO5)oc3=S)CC2)cc1C ZINC000013073745 556274045 /nfs/dbraw/zinc/27/40/45/556274045.db2.gz RWDLTZFZARWYIF-UHFFFAOYSA-N 0 0 488.591 3.182 50 0 JGAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000018004103 556275446 /nfs/dbraw/zinc/27/54/46/556275446.db2.gz NDSDPXJWXQGANL-GOSISDBHSA-N 0 0 481.574 3.445 50 0 JGAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O ZINC000018012825 556276570 /nfs/dbraw/zinc/27/65/70/556276570.db2.gz WMLRHWRZXCIWCU-CQSZACIVSA-N 0 0 465.428 3.186 50 0 JGAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000018039805 556279135 /nfs/dbraw/zinc/27/91/35/556279135.db2.gz TUYAIHGIIWCNET-UHFFFAOYSA-N 0 0 470.378 3.489 50 0 JGAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000018046130 556279845 /nfs/dbraw/zinc/27/98/45/556279845.db2.gz MKBCGIAGBCLKCR-SFHVURJKSA-N 0 0 498.571 3.350 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)Cn3c4ccc(C)cc4c4c3C(=O)CCC4)CC2)cc1 ZINC000027489714 556280529 /nfs/dbraw/zinc/28/05/29/556280529.db2.gz PCBDGSRXCBSEBL-OAQYLSRUSA-N 0 0 495.645 3.145 50 0 JGAARN Cc1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018061697 556281902 /nfs/dbraw/zinc/28/19/02/556281902.db2.gz OJBLFMKARFKVIR-HDICACEKSA-N 0 0 482.606 3.403 50 0 JGAARN COc1ccc(OC)c(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]34)C2O)c1 ZINC000018089509 556286277 /nfs/dbraw/zinc/28/62/77/556286277.db2.gz RCOHUQHWJZCRAB-LIONHTAISA-N 0 0 481.508 3.465 50 0 JGAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000013095282 556287046 /nfs/dbraw/zinc/28/70/46/556287046.db2.gz IGIHHUBFMBFBJA-OAQYLSRUSA-N 0 0 495.605 3.381 50 0 JGAARN CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000018105219 556288088 /nfs/dbraw/zinc/28/80/88/556288088.db2.gz SSMZBMRMKRRJFO-OAQYLSRUSA-N 0 0 477.392 3.344 50 0 JGAARN CCCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cc(Br)ccc2OC)c1 ZINC000013096351 556290522 /nfs/dbraw/zinc/29/05/22/556290522.db2.gz DDFQUBRIFPIEQG-UHFFFAOYSA-N 0 0 455.374 3.418 50 0 JGAARN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000018124472 556291100 /nfs/dbraw/zinc/29/11/00/556291100.db2.gz OPUIRHIDKIKKRY-OAHLLOKOSA-N 0 0 450.520 3.490 50 0 JGAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000013096616 556291196 /nfs/dbraw/zinc/29/11/96/556291196.db2.gz GEUOSBHUHHFDCN-NRFANRHFSA-N 0 0 464.543 3.003 50 0 JGAARN COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013096660 556291535 /nfs/dbraw/zinc/29/15/35/556291535.db2.gz RVIWXJYUOFSVQS-UHFFFAOYSA-N 0 0 473.595 3.349 50 0 JGAARN O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000018125361 556291631 /nfs/dbraw/zinc/29/16/31/556291631.db2.gz PCDPFNSHIIWTSM-QZTJIDSGSA-N 0 0 482.920 3.228 50 0 JGAARN O=C1C[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000018142953 556293698 /nfs/dbraw/zinc/29/36/98/556293698.db2.gz NSRMZOBQLINKEJ-IBGZPJMESA-N 0 0 473.360 3.054 50 0 JGAARN O=c1cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)nc2sccn21 ZINC000013097858 556295533 /nfs/dbraw/zinc/29/55/33/556295533.db2.gz USKRMIYEYPWPIV-UHFFFAOYSA-N 0 0 489.604 3.273 50 0 JGAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)NCC(F)(F)F)cc1OC ZINC000013098067 556296352 /nfs/dbraw/zinc/29/63/52/556296352.db2.gz MPTKFPQKCYVGGG-UHFFFAOYSA-N 0 0 453.442 3.174 50 0 JGAARN C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000027554595 556296856 /nfs/dbraw/zinc/29/68/56/556296856.db2.gz WMWUMJGMMHFRES-BBWFWOEESA-N 0 0 451.614 3.178 50 0 JGAARN CCCCCCc1nc(SCN2C(=O)c3ccccc3C2=O)c2c(=O)n(C)c(=O)n(CCC)c2n1 ZINC000013098378 556297046 /nfs/dbraw/zinc/29/70/46/556297046.db2.gz MLWLBWBKWVOMQJ-UHFFFAOYSA-N 0 0 495.605 3.369 50 0 JGAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)NC(C)C)n2-c2ccccc2)cc1 ZINC000013098785 556298262 /nfs/dbraw/zinc/29/82/62/556298262.db2.gz GVVGYOWXYMBPCL-UHFFFAOYSA-N 0 0 455.540 3.181 50 0 JGAARN C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000013100406 556299542 /nfs/dbraw/zinc/29/95/42/556299542.db2.gz ASQDQRPFCPSCLW-CQSZACIVSA-N 0 0 479.455 3.294 50 0 JGAARN O=C1N=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)NC1=Cc1ccc2c(c1)OCO2 ZINC000018182064 556299740 /nfs/dbraw/zinc/29/97/40/556299740.db2.gz XIUGCASVZVZZTL-VIZOYTHASA-N 0 0 479.846 3.131 50 0 JGAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000013100798 556300731 /nfs/dbraw/zinc/30/07/31/556300731.db2.gz GDZRLHBMJAMKBU-BWCLHNGZSA-N 0 0 481.549 3.069 50 0 JGAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)c1 ZINC000018191003 556301303 /nfs/dbraw/zinc/30/13/03/556301303.db2.gz WITKIVOBXFVIJN-HXUWFJFHSA-N 0 0 453.495 3.446 50 0 JGAARN COc1ccc(CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651074 556301740 /nfs/dbraw/zinc/30/17/40/556301740.db2.gz PJDLPHAABHKLEX-OAQYLSRUSA-N 0 0 453.560 3.480 50 0 JGAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)C[C@H](C)O1 ZINC000013101572 556302058 /nfs/dbraw/zinc/30/20/58/556302058.db2.gz LBZIICXLCOIZCB-CALCHBBNSA-N 0 0 496.004 3.239 50 0 JGAARN CCOc1ccccc1N1C[C@@H](C(=O)N(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1=O ZINC000013101688 556302331 /nfs/dbraw/zinc/30/23/31/556302331.db2.gz NDGVDUYRXGJAKD-HNNXBMFYSA-N 0 0 468.941 3.377 50 0 JGAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000013108098 556304940 /nfs/dbraw/zinc/30/49/40/556304940.db2.gz GKCQXVZRTRBEAJ-UHFFFAOYSA-N 0 0 475.387 3.033 50 0 JGAARN O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)c1cc(=O)c2ccccc2o1 ZINC000027745057 556305033 /nfs/dbraw/zinc/30/50/33/556305033.db2.gz SQMCXJRTYHHDFI-UHFFFAOYSA-N 0 0 497.554 3.190 50 0 JGAARN O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013108897 556306893 /nfs/dbraw/zinc/30/68/93/556306893.db2.gz IFNRQHWFZCARBN-UXBLZVDNSA-N 0 0 498.532 3.403 50 0 JGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000013109637 556309039 /nfs/dbraw/zinc/30/90/39/556309039.db2.gz 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/nfs/dbraw/zinc/71/99/70/569719970.db2.gz FNHFULNJKIAHQG-UHFFFAOYSA-N 0 0 459.749 3.376 50 0 JGAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000089851157 569720087 /nfs/dbraw/zinc/72/00/87/569720087.db2.gz JMFFWRPXLVJGND-UHFFFAOYSA-N 0 0 464.543 3.272 50 0 JGAARN O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000089858367 569720206 /nfs/dbraw/zinc/72/02/06/569720206.db2.gz ITGVMOHVFRGWAL-UGKGYDQZSA-N 0 0 498.567 3.467 50 0 JGAARN CC1CCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000089922653 569720424 /nfs/dbraw/zinc/72/04/24/569720424.db2.gz XAUIASPFZSMYAT-UHFFFAOYSA-N 0 0 470.591 3.285 50 0 JGAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089930123 569720426 /nfs/dbraw/zinc/72/04/26/569720426.db2.gz RZMWTILIQFKWEO-JKSUJKDBSA-N 0 0 472.636 3.177 50 0 JGAARN C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000089930124 569720492 /nfs/dbraw/zinc/72/04/92/569720492.db2.gz RZMWTILIQFKWEO-CVEARBPZSA-N 0 0 472.636 3.177 50 0 JGAARN COc1ccc2c(CCNC(=O)CCNC(=O)N3CCc4c5ccccc5[nH]c4C3)c[nH]c2c1 ZINC000094992907 569721419 /nfs/dbraw/zinc/72/14/19/569721419.db2.gz WXBKCSGIHBEZJK-UHFFFAOYSA-N 0 0 459.550 3.475 50 0 JGAARN O=C(CN1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000095357441 569722730 /nfs/dbraw/zinc/72/27/30/569722730.db2.gz SGTHMFFTIISWIS-UHFFFAOYSA-N 0 0 460.553 3.288 50 0 JGAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CCN(c3cccc(Cl)c3)C[C@H]12 ZINC000035893907 569722842 /nfs/dbraw/zinc/72/28/42/569722842.db2.gz DBPWKEJQLBNDPK-UKILVPOCSA-N 0 0 469.029 3.046 50 0 JGAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CCN(c3ccc(Cl)cc3)C[C@@H]12 ZINC000035893877 569722879 /nfs/dbraw/zinc/72/28/79/569722879.db2.gz CSARZNGLHVMRSM-ZCYQVOJMSA-N 0 0 469.029 3.046 50 0 JGAARN Cc1nc2cc(C)ccn2c1CN1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000095385750 569722888 /nfs/dbraw/zinc/72/28/88/569722888.db2.gz RLWCSPHNKCAQNW-UHFFFAOYSA-N 0 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COc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC=C[C@H](C)[C@H]5C4=O)c3)CC2=O)c1 ZINC000095483149 569725141 /nfs/dbraw/zinc/72/51/41/569725141.db2.gz XCMSAFCBEDRQIJ-JDMIUSOHSA-N 0 0 474.513 3.355 50 0 JGAARN COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5C(F)(F)F)c(=O)n4ccn3n2)cc1 ZINC000095538018 569726146 /nfs/dbraw/zinc/72/61/46/569726146.db2.gz ZJYTUMOLQMACOK-UHFFFAOYSA-N 0 0 482.422 3.477 50 0 JGAARN CCN(CC)C(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2cccc(F)c2)c1=O ZINC000095538876 569726265 /nfs/dbraw/zinc/72/62/65/569726265.db2.gz UVDLXOKDZUGSPB-UHFFFAOYSA-N 0 0 464.419 3.082 50 0 JGAARN CCOC(=O)COc1cccn2c(=O)c(-c3cc(C)n(-c4cc(F)ccc4F)n3)c(C)nc12 ZINC000035911239 569726423 /nfs/dbraw/zinc/72/64/23/569726423.db2.gz LGJQGXLJICHKBV-UHFFFAOYSA-N 0 0 454.433 3.384 50 0 JGAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21)N1CCCCC1 ZINC000095545244 569727121 /nfs/dbraw/zinc/72/71/21/569727121.db2.gz VUKJHBSKDANKOP-UHFFFAOYSA-N 0 0 463.556 3.406 50 0 JGAARN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(S(C)(=O)=O)CC3)c12 ZINC000035912561 569727627 /nfs/dbraw/zinc/72/76/27/569727627.db2.gz UXCIBBNJBMJDND-UHFFFAOYSA-N 0 0 490.633 3.495 50 0 JGAARN COc1ccc(CNC(=O)CCc2nnc3c4cc(-c5ccc(OC)cc5)nn4ccn23)cc1 ZINC000095609142 569728084 /nfs/dbraw/zinc/72/80/84/569728084.db2.gz YSKOPGVUYFTBEI-UHFFFAOYSA-N 0 0 456.506 3.310 50 0 JGAARN O=c1oc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2n1Cc1noc(C2CC2)n1 ZINC000095841736 569728813 /nfs/dbraw/zinc/72/88/13/569728813.db2.gz HZVFORMSEYZGHJ-UHFFFAOYSA-N 0 0 474.926 3.078 50 0 JGAARN CC(=O)N1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCc4ccccn4)o3)n2)CC1 ZINC000095925362 569729966 /nfs/dbraw/zinc/72/99/66/569729966.db2.gz GRKLPPSBDGNABA-UHFFFAOYSA-N 0 0 494.621 3.479 50 0 JGAARN CCN1CCN(C(=O)c2ccccc2CSc2nnc(COC)n2-c2ccccc2OC)CC1 ZINC000095925482 569730051 /nfs/dbraw/zinc/73/00/51/569730051.db2.gz QRHAAWOTQNLUDI-UHFFFAOYSA-N 0 0 481.622 3.492 50 0 JGAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000095925549 569730286 /nfs/dbraw/zinc/73/02/86/569730286.db2.gz LQWYGMXXMDNTJU-UHFFFAOYSA-N 0 0 453.612 3.236 50 0 JGAARN C[C@@H](CC(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)NC(=O)C1CCCC1 ZINC000095947500 569731177 /nfs/dbraw/zinc/73/11/77/569731177.db2.gz BHZURNGBKCEMTA-AWEZNQCLSA-N 0 0 450.582 3.342 50 0 JGAARN COc1ccc(-c2nc(NCCN3CCOCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)c(F)c1 ZINC000035929102 569731292 /nfs/dbraw/zinc/73/12/92/569731292.db2.gz BDJXQJLQMZUSFR-UHFFFAOYSA-N 0 0 481.507 3.096 50 0 JGAARN CC[C@@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)COC ZINC000035945530 569732793 /nfs/dbraw/zinc/73/27/93/569732793.db2.gz AJRKAYVVKAQFIL-QGZVFWFLSA-N 0 0 463.600 3.336 50 0 JGAARN CC[C@H](C)N(Cc1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)COC ZINC000035945531 569732800 /nfs/dbraw/zinc/73/28/00/569732800.db2.gz AJRKAYVVKAQFIL-KRWDZBQOSA-N 0 0 463.600 3.336 50 0 JGAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1)C(=O)C1CC1 ZINC000035946608 569733750 /nfs/dbraw/zinc/73/37/50/569733750.db2.gz VURVQCJQAYFMRU-QHCPKHFHSA-N 0 0 453.514 3.397 50 0 JGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946922 569734020 /nfs/dbraw/zinc/73/40/20/569734020.db2.gz MXNYJRKXAKXQMI-XMMPIXPASA-N 0 0 484.547 3.213 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035947330 569734371 /nfs/dbraw/zinc/73/43/71/569734371.db2.gz ZHLZKVVDCWXYIA-NRFANRHFSA-N 0 0 486.544 3.199 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035947331 569734373 /nfs/dbraw/zinc/73/43/73/569734373.db2.gz ZHLZKVVDCWXYIA-OAQYLSRUSA-N 0 0 486.544 3.199 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC ZINC000035947694 569734629 /nfs/dbraw/zinc/73/46/29/569734629.db2.gz WCFHBVUCHMFOGB-JOCHJYFZSA-N 0 0 453.539 3.267 50 0 JGAARN COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2cc(C)on2)cc(OC)c1O ZINC000096115884 569734787 /nfs/dbraw/zinc/73/47/87/569734787.db2.gz XJXJORCCHALKLT-XMSQKQJNSA-N 0 0 464.430 3.344 50 0 biogenic JGAARN COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCc4ccccc4C3)n1C)CC2 ZINC000096115818 569734860 /nfs/dbraw/zinc/73/48/60/569734860.db2.gz UOGIHOWCXMCKSE-UHFFFAOYSA-N 0 0 475.589 3.225 50 0 biogenic JGAARN COC(=O)CC1CCN(C(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)CC1 ZINC000096116127 569735039 /nfs/dbraw/zinc/73/50/39/569735039.db2.gz LAJRWNJAUJELHW-UHFFFAOYSA-N 0 0 451.475 3.346 50 0 biogenic JGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000035948200 569735111 /nfs/dbraw/zinc/73/51/11/569735111.db2.gz IVBYCHUJMZCTDX-AREMUKBSSA-N 0 0 492.620 3.252 50 0 JGAARN CCC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035948596 569735475 /nfs/dbraw/zinc/73/54/75/569735475.db2.gz XIYXKJCFDFRIMW-LJQANCHMSA-N 0 0 459.568 3.328 50 0 JGAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035948925 569735719 /nfs/dbraw/zinc/73/57/19/569735719.db2.gz SVRLDYFTZYQKJG-GOSISDBHSA-N 0 0 474.583 3.121 50 0 JGAARN COc1cn(CC(=O)NC2CCCCCC2)c(CN2CCO[C@@H](c3ccccc3)C2)cc1=O ZINC000096117216 569735822 /nfs/dbraw/zinc/73/58/22/569735822.db2.gz KWBQYFVYBCWHEP-XMMPIXPASA-N 0 0 453.583 3.269 50 0 JGAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cc3cccc4c3n(c2=O)CC4)CCO1 ZINC000096117774 569735833 /nfs/dbraw/zinc/73/58/33/569735833.db2.gz XFGDPVBAOWKYEH-FOIQADDNSA-N 0 0 466.563 3.365 50 0 JGAARN CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000035949140 569735876 /nfs/dbraw/zinc/73/58/76/569735876.db2.gz JNSPSHHLNATRIE-QFIPXVFZSA-N 0 0 468.554 3.442 50 0 JGAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035949138 569735882 /nfs/dbraw/zinc/73/58/82/569735882.db2.gz BBEWLLUVRYHCSQ-QFIPXVFZSA-N 0 0 468.554 3.440 50 0 JGAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035949149 569736061 /nfs/dbraw/zinc/73/60/61/569736061.db2.gz QKZGBZISNVCOEC-JOCHJYFZSA-N 0 0 496.564 3.170 50 0 JGAARN 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ZINC000012845423 195151878 /nfs/dbraw/zinc/15/18/78/195151878.db2.gz MUDJQNCUGHDSKD-UHFFFAOYSA-N 0 0 477.443 3.338 50 0 JGAARN CCOc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012847109 195152667 /nfs/dbraw/zinc/15/26/67/195152667.db2.gz JUADOUPLRXZENS-UHFFFAOYSA-N 0 0 472.607 3.170 50 0 JGAARN COc1ccc(NC(=O)[C@H](OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2)cc1 ZINC000012847450 195152970 /nfs/dbraw/zinc/15/29/70/195152970.db2.gz OJWZBSCYCLNAEQ-QNWVGRARSA-N 0 0 464.518 3.484 50 0 JGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 ZINC000012850140 195154217 /nfs/dbraw/zinc/15/42/17/195154217.db2.gz PJZCDGIMHAYIMC-MRXNPFEDSA-N 0 0 461.584 3.400 50 0 JGAARN O=C(Nc1ccc(I)cc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000012851825 195155059 /nfs/dbraw/zinc/15/50/59/195155059.db2.gz MCARPXXTKRJDIW-UHFFFAOYSA-N 0 0 461.259 3.179 50 0 JGAARN CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000012852544 195155453 /nfs/dbraw/zinc/15/54/53/195155453.db2.gz SLSAUACJNBOQLR-HXUWFJFHSA-N 0 0 457.596 3.017 50 0 JGAARN COc1cc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc(OC)c1OC ZINC000012852868 195155490 /nfs/dbraw/zinc/15/54/90/195155490.db2.gz WEVIXCQIFAAREA-UHFFFAOYSA-N 0 0 480.447 3.024 50 0 JGAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000012852796 195155600 /nfs/dbraw/zinc/15/56/00/195155600.db2.gz IHDVKVLQAMSLLD-UHFFFAOYSA-N 0 0 456.351 3.026 50 0 JGAARN Cc1cc(C)cc(-c2nnc(SCC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000012853225 195155677 /nfs/dbraw/zinc/15/56/77/195155677.db2.gz PTXCERHZTYPRKP-KRWDZBQOSA-N 0 0 461.565 3.254 50 0 JGAARN O=S1(=O)CC[C@H](N2CCN(c3ncnc4cc(-c5ccc(Br)cc5)sc43)CC2)C1 ZINC000012853832 195156138 /nfs/dbraw/zinc/15/61/38/195156138.db2.gz RAMZMSDEYMRACC-INIZCTEOSA-N 0 0 493.452 3.430 50 0 JGAARN COc1ccc(CCNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000012854370 195156598 /nfs/dbraw/zinc/15/65/98/195156598.db2.gz MFHVKDVRZANQST-UHFFFAOYSA-N 0 0 472.538 3.397 50 0 JGAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)C1 ZINC000012855247 195157018 /nfs/dbraw/zinc/15/70/18/195157018.db2.gz NHXXEOOQKFCLIE-SBHAEUEKSA-N 0 0 469.607 3.340 50 0 JGAARN C[C@]12C(=O)N(c3ccc(C(=O)NC[C@H]4CCCO4)cc3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000012858119 195158387 /nfs/dbraw/zinc/15/83/87/195158387.db2.gz YYMIIEXYCJHFSN-DWXRJYCRSA-N 0 0 458.518 3.317 50 0 biogenic JGAARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000012868674 195162711 /nfs/dbraw/zinc/16/27/11/195162711.db2.gz DHHZYBGCTUCZOS-SANMLTNESA-N 0 0 461.470 3.440 50 0 JGAARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000012868684 195162744 /nfs/dbraw/zinc/16/27/44/195162744.db2.gz DHHZYBGCTUCZOS-AREMUKBSSA-N 0 0 461.470 3.440 50 0 JGAARN CCOC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000012869799 195162942 /nfs/dbraw/zinc/16/29/42/195162942.db2.gz JMRWUROXEATOHL-UHFFFAOYSA-N 0 0 471.579 3.281 50 0 JGAARN C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1ccc(Br)cc1 ZINC000012869332 195162981 /nfs/dbraw/zinc/16/29/81/195162981.db2.gz ITCLMJPJBNNLIO-AWEZNQCLSA-N 0 0 456.296 3.238 50 0 JGAARN C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000012870116 195163091 /nfs/dbraw/zinc/16/30/91/195163091.db2.gz CCQPWILOLZADDU-OAHLLOKOSA-N 0 0 456.395 3.468 50 0 JGAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 ZINC000012871613 195163766 /nfs/dbraw/zinc/16/37/66/195163766.db2.gz FOJHSLLQSYMRRM-UHFFFAOYSA-N 0 0 471.535 3.141 50 0 JGAARN CC(C)Cc1ccc([C@H](C)NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000012871650 195163829 /nfs/dbraw/zinc/16/38/29/195163829.db2.gz DAHXZVLCFPQMBC-KRWDZBQOSA-N 0 0 450.626 3.387 50 0 JGAARN COc1ccc(CN(C)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)c(OC)c1OC ZINC000012874609 195165429 /nfs/dbraw/zinc/16/54/29/195165429.db2.gz SWHXPWYMWFQOOL-UHFFFAOYSA-N 0 0 481.475 3.377 50 0 JGAARN CCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)cc1 ZINC000012875404 195165702 /nfs/dbraw/zinc/16/57/02/195165702.db2.gz QBVCEBXZCWHGBO-FQEVSTJZSA-N 0 0 472.563 3.078 50 0 JGAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Br)cc3)CN1C(=O)CN(CCCO)C2=O ZINC000012877849 195167120 /nfs/dbraw/zinc/16/71/20/195167120.db2.gz ADQPPVVSKBIWQR-KOSHJBKYSA-N 0 0 482.378 3.344 50 0 biogenic JGAARN COc1ccc([C@H]2CN3C(=O)CN(C[C@H]4CCCO4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000012878745 195167675 /nfs/dbraw/zinc/16/76/75/195167675.db2.gz LFOQQSLBZMDCSA-ZOIIRCJOSA-N 0 0 459.546 3.387 50 0 biogenic JGAARN CCOc1cc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)ccc1OC ZINC000012900567 195177375 /nfs/dbraw/zinc/17/73/75/195177375.db2.gz YQQHBLCKPDLHHN-UHFFFAOYSA-N 0 0 482.606 3.229 50 0 JGAARN Cc1cc(=S)n(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(C(C)C)n1 ZINC000012882170 195169214 /nfs/dbraw/zinc/16/92/14/195169214.db2.gz DSRKVEQLCCSBBO-UHFFFAOYSA-N 0 0 478.640 3.170 50 0 JGAARN Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000012883283 195169715 /nfs/dbraw/zinc/16/97/15/195169715.db2.gz TXYIJDBSOMBFSF-UHFFFAOYSA-N 0 0 495.586 3.335 50 0 JGAARN COc1ccc(-c2nn(CN(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)cc1 ZINC000012884324 195170045 /nfs/dbraw/zinc/17/00/45/195170045.db2.gz FIDNCIIDVVWTMH-INIZCTEOSA-N 0 0 464.638 3.335 50 0 JGAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012886450 195170773 /nfs/dbraw/zinc/17/07/73/195170773.db2.gz ZZMRJEFIRSRUPQ-HNNXBMFYSA-N 0 0 455.458 3.348 50 0 JGAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccccc1 ZINC000012888000 195171451 /nfs/dbraw/zinc/17/14/51/195171451.db2.gz CVBACQYGCXUIMW-CNBSGPCYSA-N 0 0 478.552 3.459 50 0 biogenic JGAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)NCCCO)c(C)c21 ZINC000012890369 195172609 /nfs/dbraw/zinc/17/26/09/195172609.db2.gz AFXNEIWDAWZQNW-LJQANCHMSA-N 0 0 470.566 3.345 50 0 biogenic JGAARN CC(C)C(=O)N[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000012890963 195172770 /nfs/dbraw/zinc/17/27/70/195172770.db2.gz ATEWKMQGWGDVCJ-LWHXSLQUSA-N 0 0 458.367 3.307 50 0 JGAARN CCN(C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000012891364 195172983 /nfs/dbraw/zinc/17/29/83/195172983.db2.gz GQOALVUYAMFNKK-CQSZACIVSA-N 0 0 453.914 3.006 50 0 JGAARN COc1cc2c(cc1/C=C/C(=O)N1CCCN(S(=O)(=O)c3ccc(C)cc3)CC1)O[C@@H](C)C2 ZINC000012891696 195173177 /nfs/dbraw/zinc/17/31/77/195173177.db2.gz ORUYZTLOMQLHCQ-VQFGERMISA-N 0 0 470.591 3.263 50 0 JGAARN COc1ccc2[nH]cc(CCNC(=O)COc3ccc4nc5n(c(=O)c4c3)CCCCC5)c2c1 ZINC000012898607 195176427 /nfs/dbraw/zinc/17/64/27/195176427.db2.gz XTDLOPGIGQEWAB-UHFFFAOYSA-N 0 0 460.534 3.351 50 0 biogenic JGAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cc(Cl)ccc1F ZINC000012862782 195160114 /nfs/dbraw/zinc/16/01/14/195160114.db2.gz PKHDWXKQJYHDDS-UHFFFAOYSA-N 0 0 467.906 3.200 50 0 JGAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000012863415 195160481 /nfs/dbraw/zinc/16/04/81/195160481.db2.gz MIVVFUIUALTCNY-KRWDZBQOSA-N 0 0 450.514 3.475 50 0 JGAARN COC(=O)c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n(CCN1CCOCC1)c2=O ZINC000020643671 195194053 /nfs/dbraw/zinc/19/40/53/195194053.db2.gz XSSVDGCWHSTDJA-UHFFFAOYSA-N 0 0 473.982 3.461 50 0 JGAARN COC(=O)c1ccc2c(c1)nc(SCc1c(F)cccc1F)n(CCN1CCOCC1)c2=O ZINC000020643669 195194169 /nfs/dbraw/zinc/19/41/69/195194169.db2.gz YXNQBOYQESVNII-UHFFFAOYSA-N 0 0 475.517 3.086 50 0 JGAARN COC(=O)[C@@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000012901991 195177737 /nfs/dbraw/zinc/17/77/37/195177737.db2.gz UVDXSNPODWVQRK-INIZCTEOSA-N 0 0 456.447 3.357 50 0 biogenic JGAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012902322 195178127 /nfs/dbraw/zinc/17/81/27/195178127.db2.gz YIBIBEHPFOIRLI-UHFFFAOYSA-N 0 0 465.575 3.493 50 0 JGAARN O=c1c2ccc(Cl)cc2nc(SCc2nnnn2-c2ccccc2)n1C[C@H]1CCCO1 ZINC000012903102 195178210 /nfs/dbraw/zinc/17/82/10/195178210.db2.gz RJXMZKUILREIPA-MRXNPFEDSA-N 0 0 454.943 3.497 50 0 JGAARN COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 ZINC000012903147 195178230 /nfs/dbraw/zinc/17/82/30/195178230.db2.gz NHGYBEKRCZKISH-KRWDZBQOSA-N 0 0 464.518 3.439 50 0 JGAARN O=C(c1cc(C2CC2)nn1-c1ccccc1)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000012904586 195178829 /nfs/dbraw/zinc/17/88/29/195178829.db2.gz QGSQAJRSKBQMID-XMMPIXPASA-N 0 0 458.518 3.016 50 0 JGAARN O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccccc1Br ZINC000012904532 195178873 /nfs/dbraw/zinc/17/88/73/195178873.db2.gz YWMILLHUVBGMRC-UHFFFAOYSA-N 0 0 494.367 3.170 50 0 JGAARN O=C(c1cc(Br)c[nH]1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012905269 195179365 /nfs/dbraw/zinc/17/93/65/195179365.db2.gz WEWPYRPEFMRQCF-UHFFFAOYSA-N 0 0 467.172 3.231 50 0 JGAARN Cc1ccc(CN2C[C@H](C(=O)NCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 ZINC000012905831 195179500 /nfs/dbraw/zinc/17/95/00/195179500.db2.gz QBSYJQKUEKBCFW-QGZVFWFLSA-N 0 0 458.356 3.169 50 0 JGAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)cc1 ZINC000012905985 195179815 /nfs/dbraw/zinc/17/98/15/195179815.db2.gz VQYLMCLNCXVKJL-FQEVSTJZSA-N 0 0 455.580 3.157 50 0 JGAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000020604949 195180557 /nfs/dbraw/zinc/18/05/57/195180557.db2.gz AQPIQZBQYZCATE-UHFFFAOYSA-N 0 0 485.928 3.218 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OCn4cc(Cl)cn4)c3)CC2)cc1 ZINC000020606053 195181113 /nfs/dbraw/zinc/18/11/13/195181113.db2.gz SNHAIGKINOUTJG-UHFFFAOYSA-N 0 0 474.970 3.028 50 0 JGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc[nH]4)c(=O)n32)cc1 ZINC000020608453 195181953 /nfs/dbraw/zinc/18/19/53/195181953.db2.gz ACYXEMJAGAYYQO-QFVBLGFASA-N 0 0 470.554 3.211 50 0 JGAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Cl)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O ZINC000020611388 195185194 /nfs/dbraw/zinc/18/51/94/195185194.db2.gz LXOAZBFYBWVYIT-IDISGSTGSA-N 0 0 493.007 3.185 50 0 biogenic JGAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000020614438 195186494 /nfs/dbraw/zinc/18/64/94/195186494.db2.gz LCTJSXBPFICNSR-HSZRJFAPSA-N 0 0 472.545 3.034 50 0 JGAARN CCn1cc(S(=O)(=O)N(Cc2ccc(OCC(F)(F)F)c(OC)c2)c2cn(C)nc2C)cn1 ZINC000020614309 195186585 /nfs/dbraw/zinc/18/65/85/195186585.db2.gz FCBAHQZGVLLTHH-UHFFFAOYSA-N 0 0 487.504 3.290 50 0 JGAARN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000020614373 195186752 /nfs/dbraw/zinc/18/67/52/195186752.db2.gz KXIMTTABTAHCKD-XMMPIXPASA-N 0 0 486.572 3.342 50 0 JGAARN O=C(COc1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 ZINC000020614816 195187091 /nfs/dbraw/zinc/18/70/91/195187091.db2.gz FHJFQFHOBNKSEJ-UHFFFAOYSA-N 0 0 472.588 3.320 50 0 JGAARN Cn1nc(C(=O)Nc2ccc(Br)cn2)cc1C(=O)Nc1ccc(Br)cn1 ZINC000020616470 195188199 /nfs/dbraw/zinc/18/81/99/195188199.db2.gz JCFXYWGXFJJTFZ-UHFFFAOYSA-N 0 0 480.120 3.240 50 0 JGAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C(=O)C(C)C)CC2)n3C)cc1 ZINC000020623824 195190611 /nfs/dbraw/zinc/19/06/11/195190611.db2.gz LTMCNXVLKBGDEO-UHFFFAOYSA-N 0 0 463.582 3.199 50 0 JGAARN O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000020677460 195202205 /nfs/dbraw/zinc/20/22/05/195202205.db2.gz FPWLEYWBGWSKES-AREMUKBSSA-N 0 0 476.577 3.113 50 0 JGAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C(=O)c4ccco4)CC2)n3C)c1 ZINC000020677477 195202635 /nfs/dbraw/zinc/20/26/35/195202635.db2.gz BBDFUYIGOMXZSW-UHFFFAOYSA-N 0 0 487.560 3.450 50 0 JGAARN C[C@H](NC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)c1ccccc1 ZINC000020679039 195203433 /nfs/dbraw/zinc/20/34/33/195203433.db2.gz NZRAHDSMVNESSM-IBGZPJMESA-N 0 0 460.669 3.024 50 0 JGAARN Cc1cccc(CS(=O)(=O)C[C@H]2Nc3ccc(C(=O)NCc4cccs4)cc3NC2=O)c1 ZINC000020680255 195203757 /nfs/dbraw/zinc/20/37/57/195203757.db2.gz UWHDRNGJZXTPHI-OAQYLSRUSA-N 0 0 469.588 3.334 50 0 JGAARN Cc1cccc(N2CCN(C(=O)C[C@@H](C(=O)N3CCc4ccccc43)n3ccnc3)C[C@@H]2C)c1 ZINC000020682795 195204535 /nfs/dbraw/zinc/20/45/35/195204535.db2.gz AFSNFKSLJZENIQ-OFVILXPXSA-N 0 0 457.578 3.449 50 0 JGAARN C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020685446 195204892 /nfs/dbraw/zinc/20/48/92/195204892.db2.gz ZCEKLJNESWCXPF-SCUMNGBJSA-N 0 0 479.547 3.406 50 0 JGAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020713990 195205857 /nfs/dbraw/zinc/20/58/57/195205857.db2.gz ZCTZTBAGCILLJW-RMKNXTFCSA-N 0 0 471.605 3.483 50 0 biogenic JGAARN COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC000020728442 195208839 /nfs/dbraw/zinc/20/88/39/195208839.db2.gz CVCNBTXJWJHBGP-DOTOQJQBSA-N 0 0 467.389 3.124 50 0 JGAARN CCOC(=O)C1=C(CS(=O)(=O)c2cc(Cl)ccc2OC)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000020849054 195230567 /nfs/dbraw/zinc/23/05/67/195230567.db2.gz PZVQZKWMBCVVSJ-FQEVSTJZSA-N 0 0 494.953 3.002 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n([C@@H](C)CCc2ccccc2)c1=O ZINC000020758009 195216750 /nfs/dbraw/zinc/21/67/50/195216750.db2.gz GTPZVCBYYMPSOY-WNSKOXEYSA-N 0 0 460.534 3.161 50 0 biogenic JGAARN CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1)C(=O)N1CCOCC1 ZINC000020758653 195216982 /nfs/dbraw/zinc/21/69/82/195216982.db2.gz ZLYKOVMAIHSFMX-OAHLLOKOSA-N 0 0 491.415 3.028 50 0 JGAARN CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000020760240 195217644 /nfs/dbraw/zinc/21/76/44/195217644.db2.gz FQKXKYMCCLSRAR-CHCBTGSZSA-N 0 0 476.536 3.376 50 0 biogenic JGAARN CCCNC(=O)Cn1cnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c2c1=O ZINC000020765392 195220968 /nfs/dbraw/zinc/22/09/68/195220968.db2.gz BNUAZTPJZVBISZ-UHFFFAOYSA-N 0 0 466.607 3.388 50 0 JGAARN CCOC(=O)C1CCN(C(=O)C[C@@H](NS(=O)(=O)c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000020765972 195221324 /nfs/dbraw/zinc/22/13/24/195221324.db2.gz HNTDMXYMGUXEQZ-JOCHJYFZSA-N 0 0 492.569 3.046 50 0 JGAARN O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000020768174 195223160 /nfs/dbraw/zinc/22/31/60/195223160.db2.gz VUITVVGUZYZMKY-HXUWFJFHSA-N 0 0 479.961 3.499 50 0 JGAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(C[C@@H]3COc4ccccc4O3)C(C)=O)cc12 ZINC000020778179 195224216 /nfs/dbraw/zinc/22/42/16/195224216.db2.gz JMXIBUJCUWBYBZ-HXUWFJFHSA-N 0 0 493.560 3.277 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000020920877 195247966 /nfs/dbraw/zinc/24/79/66/195247966.db2.gz DULXRZMHBBXFOF-NRFANRHFSA-N 0 0 490.578 3.294 50 0 JGAARN COc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000020895541 195239475 /nfs/dbraw/zinc/23/94/75/195239475.db2.gz SMQDKTRPLGDMDN-IBGZPJMESA-N 0 0 497.982 3.426 50 0 JGAARN COCCCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccsc21 ZINC000020922250 195248100 /nfs/dbraw/zinc/24/81/00/195248100.db2.gz RXENWKGZDOZKJC-UHFFFAOYSA-N 0 0 482.385 3.383 50 0 JGAARN O=S(=O)(c1nnn2c3ccsc3c(N3CCSCC3)nc12)c1ccc(Cl)cc1 ZINC000020922320 195248109 /nfs/dbraw/zinc/24/81/09/195248109.db2.gz CFEIJYHHEAOUTB-UHFFFAOYSA-N 0 0 451.986 3.378 50 0 JGAARN CCOCCCN1C(=O)c2cc3c(c(OC)ccc3OC)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000020903123 195242637 /nfs/dbraw/zinc/24/26/37/195242637.db2.gz USCVDRCIYVUZAM-VWLOTQADSA-N 0 0 457.571 3.358 50 0 JGAARN CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O ZINC000020906716 195245342 /nfs/dbraw/zinc/24/53/42/195245342.db2.gz GJRVWBCDLURQAL-UHFFFAOYSA-N 0 0 478.618 3.054 50 0 JGAARN COc1ccc(OCCN2CCN(C(=O)c3cn(C)nc3-c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000020907790 195245482 /nfs/dbraw/zinc/24/54/82/195245482.db2.gz HODMOEXBHQIYBM-UHFFFAOYSA-N 0 0 492.576 3.094 50 0 JGAARN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCCN1CCCC1=O ZINC000020919895 195247334 /nfs/dbraw/zinc/24/73/34/195247334.db2.gz CUFIMVNLIAWXHR-UHFFFAOYSA-N 0 0 467.975 3.024 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000020920751 195247595 /nfs/dbraw/zinc/24/75/95/195247595.db2.gz YEUKZIQKJWSUFH-HXUWFJFHSA-N 0 0 463.552 3.344 50 0 JGAARN CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3c(C)cc(C)cc3C)=C2C(=O)OC)cc1 ZINC000020858185 195232338 /nfs/dbraw/zinc/23/23/38/195232338.db2.gz LCCABODIGNETJN-NRFANRHFSA-N 0 0 472.563 3.265 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NCc1ccc(C)cc1 ZINC000020860482 195233236 /nfs/dbraw/zinc/23/32/36/195233236.db2.gz RIXAMNKPLMEGCK-DEOSSOPVSA-N 0 0 469.607 3.154 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000020860497 195233289 /nfs/dbraw/zinc/23/32/89/195233289.db2.gz KHWDISZCGMIDFL-MHECFPHRSA-N 0 0 469.607 3.406 50 0 JGAARN CCc1cc2c(cc3c(=O)n(CC(=O)N4CCN(c5cccc(OC)c5)CC4)nc(CC)n23)s1 ZINC000020862636 195234042 /nfs/dbraw/zinc/23/40/42/195234042.db2.gz UVXSZXSSKZZIFC-UHFFFAOYSA-N 0 0 479.606 3.193 50 0 JGAARN Cc1ccc(C)c(S(=O)(=O)c2nnn3c4ccsc4c(NCCCN4CCCC4=O)nc23)c1 ZINC000020922314 195247922 /nfs/dbraw/zinc/24/79/22/195247922.db2.gz AGOVVWUACVAJET-UHFFFAOYSA-N 0 0 484.607 3.213 50 0 JGAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCC(N)=O ZINC000020892941 195237902 /nfs/dbraw/zinc/23/79/02/195237902.db2.gz VHTVBBYKHCXMLN-QFIPXVFZSA-N 0 0 452.536 3.137 50 0 JGAARN O=C(c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1)N1CCC2(CC1)OCCO2 ZINC000020938515 195254216 /nfs/dbraw/zinc/25/42/16/195254216.db2.gz GRYKVSAPKSPCTM-UHFFFAOYSA-N 0 0 472.545 3.466 50 0 JGAARN CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC000020939933 195254828 /nfs/dbraw/zinc/25/48/28/195254828.db2.gz DOABABVFYVUAPY-UHFFFAOYSA-N 0 0 453.486 3.446 50 0 JGAARN CCOc1ccc(CCNC(=O)C2CCN(c3ncnc4onc(C)c43)CC2)cc1OCC ZINC000020944853 195256445 /nfs/dbraw/zinc/25/64/45/195256445.db2.gz WFYSCQVAORTHRG-UHFFFAOYSA-N 0 0 453.543 3.299 50 0 JGAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000020981390 195258849 /nfs/dbraw/zinc/25/88/49/195258849.db2.gz SWYZQCFXEUXCPV-DEOSSOPVSA-N 0 0 498.649 3.003 50 0 JGAARN CCn1cc2nc(SCC(=O)Nc3ccccc3OC)n(Cc3ccc(OC)cc3)c(=O)c2n1 ZINC000020981690 195259152 /nfs/dbraw/zinc/25/91/52/195259152.db2.gz SRERDYJLMGEPAH-UHFFFAOYSA-N 0 0 479.562 3.409 50 0 JGAARN CCS(=O)(=O)N1CC(=O)N(c2cccc(C)c2C)[C@@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928221 195249931 /nfs/dbraw/zinc/24/99/31/195249931.db2.gz CEYURDGGBAQOEP-XMMPIXPASA-N 0 0 463.644 3.290 50 0 JGAARN Cc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NC1CCCCC1 ZINC000020928803 195250128 /nfs/dbraw/zinc/25/01/28/195250128.db2.gz KMOVJDIJFGTUTE-RUZDIDTESA-N 0 0 469.607 3.240 50 0 JGAARN C[C@@]1(C(=O)NC2CCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1cccc(F)c1 ZINC000020928786 195250239 /nfs/dbraw/zinc/25/02/39/195250239.db2.gz BHBLHMZPGJKGRH-DEOSSOPVSA-N 0 0 473.570 3.071 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929113 195250361 /nfs/dbraw/zinc/25/03/61/195250361.db2.gz HPGZFSGPYDKXNN-VWLOTQADSA-N 0 0 469.607 3.158 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(C)c3)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929150 195250388 /nfs/dbraw/zinc/25/03/88/195250388.db2.gz KEYVVLQAVKWVGN-SANMLTNESA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(C)c(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000020928976 195250445 /nfs/dbraw/zinc/25/04/45/195250445.db2.gz KBRNOVIORSBLJM-RUZDIDTESA-N 0 0 469.607 3.158 50 0 JGAARN CCc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@@]1(C)C(=O)NCCC(C)C ZINC000020929387 195250537 /nfs/dbraw/zinc/25/05/37/195250537.db2.gz RXUQLNYVBYRGHY-VWLOTQADSA-N 0 0 471.623 3.208 50 0 JGAARN Cc1cccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NCCC(C)C)c1C ZINC000020929382 195250569 /nfs/dbraw/zinc/25/05/69/195250569.db2.gz NGMWDAXEGJNAMT-VWLOTQADSA-N 0 0 471.623 3.262 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccccc3)C[C@@]2(C)C(=O)NCCC(C)C)c(C)c1 ZINC000020929428 195250598 /nfs/dbraw/zinc/25/05/98/195250598.db2.gz HTOSBEQDYXMBOX-VWLOTQADSA-N 0 0 471.623 3.262 50 0 JGAARN Cc1ccc(N2C(=O)CN(S(=O)(=O)c3ccc(C)cc3)C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000020929681 195250799 /nfs/dbraw/zinc/25/07/99/195250799.db2.gz IRODCJPXQAZEQN-HHHXNRCGSA-N 0 0 491.613 3.416 50 0 JGAARN CCN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)no1 ZINC000020936316 195252886 /nfs/dbraw/zinc/25/28/86/195252886.db2.gz 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/nfs/dbraw/zinc/11/88/60/523118860.db2.gz ABFCELTWWXJHAX-KRGUIMPISA-N 0 0 461.566 3.288 50 0 JGAARN COc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000021853079 523121252 /nfs/dbraw/zinc/12/12/52/523121252.db2.gz BNVDQCPVZOUJRS-LVXARBLLSA-N 0 0 466.582 3.401 50 0 JGAARN COc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C3=O)cc1 ZINC000021853069 523123303 /nfs/dbraw/zinc/12/33/03/523123303.db2.gz BNVDQCPVZOUJRS-HFZDXXHNSA-N 0 0 466.582 3.401 50 0 JGAARN CCn1c(C)cc(C(=O)CSc2nnc(CN(c3ccc(F)cc3)S(C)(=O)=O)n2C)c1C ZINC000020416264 523127660 /nfs/dbraw/zinc/12/76/60/523127660.db2.gz HXNYLPJYKOAHNC-UHFFFAOYSA-N 0 0 479.603 3.334 50 0 JGAARN COC(=O)CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ncc(Cl)cc1Cl ZINC000013149575 523129189 /nfs/dbraw/zinc/12/91/89/523129189.db2.gz GTVLRABONIBQFN-UHFFFAOYSA-N 0 0 467.334 3.392 50 0 JGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036070231 523137211 /nfs/dbraw/zinc/13/72/11/523137211.db2.gz 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COC(=O)COc1cccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)c1 ZINC000040082966 523232330 /nfs/dbraw/zinc/23/23/30/523232330.db2.gz XGVIQRWLWJCZPJ-GOSISDBHSA-N 0 0 495.395 3.491 50 0 JGAARN COc1ccc(-c2nc3n(c2C(=O)Nc2nc4ccc(F)cc4s2)CCS3(=O)=O)cc1 ZINC000035477063 523234214 /nfs/dbraw/zinc/23/42/14/523234214.db2.gz QZMUDRKKPGOWCT-UHFFFAOYSA-N 0 0 458.496 3.347 50 0 JGAARN COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)COC ZINC000036115821 523239140 /nfs/dbraw/zinc/23/91/40/523239140.db2.gz JNBKOMXEPDHBPI-HXUWFJFHSA-N 0 0 481.014 3.418 50 0 JGAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1OC ZINC000067194145 523241997 /nfs/dbraw/zinc/24/19/97/523241997.db2.gz MDZBNFWMMGUTLB-CQSZACIVSA-N 0 0 464.551 3.326 50 0 JGAARN CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)CCO1 ZINC000023893763 523253590 /nfs/dbraw/zinc/25/35/90/523253590.db2.gz MTVQXQFEIVUFNL-IBGZPJMESA-N 0 0 478.014 3.102 50 0 JGAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)o2)cc1 ZINC000018356729 523266526 /nfs/dbraw/zinc/26/65/26/523266526.db2.gz VDGGDWWRUJZWBK-HNNXBMFYSA-N 0 0 487.534 3.456 50 0 JGAARN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccccc5F)CC4)nn32)cc1 ZINC000033260076 523266999 /nfs/dbraw/zinc/26/69/99/523266999.db2.gz BNGCKLQOYALEFM-UHFFFAOYSA-N 0 0 460.513 3.472 50 0 JGAARN CCn1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C)cc4)CC3)cc2sc1=O ZINC000065022188 523267617 /nfs/dbraw/zinc/26/76/17/523267617.db2.gz LHKJWSFQMASSGY-UHFFFAOYSA-N 0 0 459.593 3.431 50 0 JGAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COCc1ccccc1 ZINC000036156756 523268385 /nfs/dbraw/zinc/26/83/85/523268385.db2.gz GJPJZEXCFUROTJ-LJQANCHMSA-N 0 0 471.623 3.280 50 0 JGAARN COCCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COc1ccccc1 ZINC000036157070 523269286 /nfs/dbraw/zinc/26/92/86/523269286.db2.gz YZFDQAQROSCRIS-KRWDZBQOSA-N 0 0 457.596 3.142 50 0 JGAARN COc1ccc(-c2noc(-c3cn(C)c4cc(N5CCOCC5)c(F)cc4c3=O)n2)cc1OC ZINC000033255968 523279911 /nfs/dbraw/zinc/27/99/11/523279911.db2.gz 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ZINC000008890069 554780123 /nfs/dbraw/zinc/78/01/23/554780123.db2.gz LPBOMRORMMUTQR-XMSQKQJNSA-N 0 0 456.340 3.410 50 0 JGAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008894514 554783804 /nfs/dbraw/zinc/78/38/04/554783804.db2.gz SNTDHYDOBJXYEN-LJQANCHMSA-N 0 0 479.587 3.128 50 0 JGAARN Nc1c(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008898940 554789543 /nfs/dbraw/zinc/78/95/43/554789543.db2.gz IPEOPLSZYQZWRD-UHFFFAOYSA-N 0 0 486.985 3.456 50 0 JGAARN O=C(CSc1nnnn1-c1ccc(O)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008899842 554791143 /nfs/dbraw/zinc/79/11/43/554791143.db2.gz KCEBVDYAKXIWQK-MRXNPFEDSA-N 0 0 452.521 3.492 50 0 JGAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCN(c2ccc(O)cc2)CC1 ZINC000008900291 554792424 /nfs/dbraw/zinc/79/24/24/554792424.db2.gz UNGLXMSBGXUYDV-QFIPXVFZSA-N 0 0 497.596 3.410 50 0 JGAARN O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008902016 554795896 /nfs/dbraw/zinc/79/58/96/554795896.db2.gz OYWQNJXEXSHJHP-UHFFFAOYSA-N 0 0 468.550 3.409 50 0 JGAARN CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCN(c3ccccc3)CC2)s1 ZINC000008913769 554806848 /nfs/dbraw/zinc/80/68/48/554806848.db2.gz ZJQHWNTVVHXHKU-UHFFFAOYSA-N 0 0 491.660 3.405 50 0 JGAARN Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc(=O)c2cc1C ZINC000008915282 554808705 /nfs/dbraw/zinc/80/87/05/554808705.db2.gz WABDKJASWQVJRW-IRXDYDNUSA-N 0 0 470.547 3.460 50 0 JGAARN COC(=O)c1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000008917375 554812410 /nfs/dbraw/zinc/81/24/10/554812410.db2.gz LUHQDHIKOGOUFJ-UHFFFAOYSA-N 0 0 463.874 3.282 50 0 JGAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000008917552 554812868 /nfs/dbraw/zinc/81/28/68/554812868.db2.gz FEXNDJDPFQWFKM-KSFYIVLOSA-N 0 0 483.542 3.323 50 0 JGAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCCn3ccnc3)CC(=O)N21 ZINC000008918542 554815293 /nfs/dbraw/zinc/81/52/93/554815293.db2.gz 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3.462 50 0 JGAARN C[C@H](NC(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O)c1ccc2c(c1)OCO2 ZINC000008943276 554832358 /nfs/dbraw/zinc/83/23/58/554832358.db2.gz MPEFIGCFRQOGBB-INIZCTEOSA-N 0 0 491.931 3.471 50 0 JGAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)nc(=O)c12 ZINC000008943370 554832527 /nfs/dbraw/zinc/83/25/27/554832527.db2.gz DIAFXTWTXRARNI-NSHDSACASA-N 0 0 480.637 3.260 50 0 JGAARN CCc1ccc(CNC(=O)[C@H](C)N2C(=O)N3CCc4c5cc(OC)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000008952118 554835540 /nfs/dbraw/zinc/83/55/40/554835540.db2.gz MQPZBBCBBCGPEC-OQRWROFFSA-N 0 0 474.561 3.479 50 0 biogenic JGAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008965763 554840793 /nfs/dbraw/zinc/84/07/93/554840793.db2.gz QZEYIOSMPWDHOC-DEOSSOPVSA-N 0 0 493.585 3.207 50 0 JGAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)c3cccn3C)n2-c2ccccc2F)cc1 ZINC000008966259 554842314 /nfs/dbraw/zinc/84/23/14/554842314.db2.gz PKMGZCNAYSDCBA-UHFFFAOYSA-N 0 0 495.536 3.381 50 0 JGAARN O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCCC(=O)Nc2ccccc2)s1 ZINC000008970907 554843678 /nfs/dbraw/zinc/84/36/78/554843678.db2.gz QASFEGCDEMOYPD-UHFFFAOYSA-N 0 0 466.548 3.008 50 0 JGAARN O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1 ZINC000008977468 554846262 /nfs/dbraw/zinc/84/62/62/554846262.db2.gz KHLYTXGPHANUEJ-UHFFFAOYSA-N 0 0 450.516 3.457 50 0 JGAARN Cc1cc(OCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1C(C)C ZINC000008981105 554847052 /nfs/dbraw/zinc/84/70/52/554847052.db2.gz PCRFNSRXDVMGIR-UHFFFAOYSA-N 0 0 450.532 3.296 50 0 JGAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000008982458 554847259 /nfs/dbraw/zinc/84/72/59/554847259.db2.gz OTWSLJIIVADHBN-RUZDIDTESA-N 0 0 498.587 3.292 50 0 JGAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000008984862 554848668 /nfs/dbraw/zinc/84/86/68/554848668.db2.gz VOOUJXHQQMJSPA-UHFFFAOYSA-N 0 0 451.806 3.438 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1cccc2ccc(OC)cc21 ZINC000008986392 554849185 /nfs/dbraw/zinc/84/91/85/554849185.db2.gz PAEKVGTVXHJGKB-YMSBRDKKSA-N 0 0 485.565 3.355 50 0 JGAARN COc1cc([C@@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000008995035 554855378 /nfs/dbraw/zinc/85/53/78/554855378.db2.gz ZZDLTVWFMVQDDF-QFIPXVFZSA-N 0 0 467.909 3.193 50 0 JGAARN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1 ZINC000009005355 554860136 /nfs/dbraw/zinc/86/01/36/554860136.db2.gz IYVQWEHLQCSZRS-QFIPXVFZSA-N 0 0 460.577 3.201 50 0 JGAARN COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000009011137 554863935 /nfs/dbraw/zinc/86/39/35/554863935.db2.gz YVQQGOFYCHZCQU-UHFFFAOYSA-N 0 0 492.557 3.202 50 0 JGAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)C)cc1 ZINC000009034108 554868532 /nfs/dbraw/zinc/86/85/32/554868532.db2.gz AIRXLGFIZOSAQU-STSQHVNTSA-N 0 0 452.555 3.039 50 0 biogenic JGAARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccs3)c(=O)n21 ZINC000009043465 554869690 /nfs/dbraw/zinc/86/96/90/554869690.db2.gz PFMZFDLTERQYFR-ITICKHJUSA-N 0 0 454.573 3.259 50 0 JGAARN COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000009048481 554871049 /nfs/dbraw/zinc/87/10/49/554871049.db2.gz MTAMHESLSVSESV-DCFHFQCYSA-N 0 0 486.528 3.485 50 0 JGAARN CN(CCOc1ccccc1)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009054014 554873374 /nfs/dbraw/zinc/87/33/74/554873374.db2.gz RIJOJNUWHXFXEN-UHFFFAOYSA-N 0 0 466.003 3.464 50 0 JGAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000009056383 554874512 /nfs/dbraw/zinc/87/45/12/554874512.db2.gz ZLDGXDGPLKPTSJ-UHFFFAOYSA-N 0 0 456.531 3.466 50 0 JGAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009056586 554875239 /nfs/dbraw/zinc/87/52/39/554875239.db2.gz AJWXTVQRKSPDIS-FQEVSTJZSA-N 0 0 468.604 3.457 50 0 JGAARN CC(C)n1nccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 ZINC000009056789 554875682 /nfs/dbraw/zinc/87/56/82/554875682.db2.gz AWHDUZPJIVOWPV-UHFFFAOYSA-N 0 0 490.611 3.419 50 0 JGAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccc(F)cc2)cc1 ZINC000009075820 554886950 /nfs/dbraw/zinc/88/69/50/554886950.db2.gz GEDXXFHCPPWMOX-LJQANCHMSA-N 0 0 457.527 3.001 50 0 JGAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 ZINC000009076110 554887397 /nfs/dbraw/zinc/88/73/97/554887397.db2.gz LBWXMDZQZRGLJI-HXUWFJFHSA-N 0 0 453.564 3.252 50 0 JGAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCCc2ccccc2)c4=O)cc1 ZINC000009090100 554890915 /nfs/dbraw/zinc/89/09/15/554890915.db2.gz GWKAIQCXKRFEEJ-GOSISDBHSA-N 0 0 459.550 3.326 50 0 JGAARN CC(C)CCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O ZINC000009090172 554891161 /nfs/dbraw/zinc/89/11/61/554891161.db2.gz PMVUZFUMRLDTSC-YIXXDRMTSA-N 0 0 460.578 3.439 50 0 biogenic JGAARN CC1CCN(S(=O)(=O)c2ccc(N3C[C@H](C(=O)Nc4cc(F)cc(F)c4)CC3=O)cc2)CC1 ZINC000009095673 554893681 /nfs/dbraw/zinc/89/36/81/554893681.db2.gz SEAVIWVZQGCEAD-MRXNPFEDSA-N 0 0 477.533 3.377 50 0 JGAARN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000009096381 554894866 /nfs/dbraw/zinc/89/48/66/554894866.db2.gz PBHLRCNKSJTIGI-UHFFFAOYSA-N 0 0 496.427 3.327 50 0 JGAARN CCOC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000009097257 554896102 /nfs/dbraw/zinc/89/61/02/554896102.db2.gz XEKHTAZXGKUENB-UHFFFAOYSA-N 0 0 452.479 3.181 50 0 JGAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 ZINC000009100713 554896297 /nfs/dbraw/zinc/89/62/97/554896297.db2.gz QNXJCPYPEJRDGW-UHFFFAOYSA-N 0 0 490.585 3.130 50 0 JGAARN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000009112440 554899981 /nfs/dbraw/zinc/89/99/81/554899981.db2.gz OXCGMVSCQXMSNP-LJQANCHMSA-N 0 0 492.663 3.465 50 0 JGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 ZINC000009112708 554900272 /nfs/dbraw/zinc/90/02/72/554900272.db2.gz RFRXODLUCYRVGL-QFIPXVFZSA-N 0 0 468.579 3.113 50 0 JGAARN 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CCOC(=O)COc1ccc2c(c1)oc(C(=O)OCC)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000011868198 555845257 /nfs/dbraw/zinc/84/52/57/555845257.db2.gz RKWCOIBSZHKJMR-UHFFFAOYSA-N 0 0 454.431 3.350 50 0 biogenic JGAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@H](C(N)=O)C4)c3C3CC3)n2)c(C)s1 ZINC000011870640 555846753 /nfs/dbraw/zinc/84/67/53/555846753.db2.gz BDSVTSPLQKVEJF-INIZCTEOSA-N 0 0 450.568 3.223 50 0 JGAARN O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000015001815 555846793 /nfs/dbraw/zinc/84/67/93/555846793.db2.gz CVQLLEDOVIRDQQ-SQJMNOBHSA-N 0 0 468.985 3.014 50 0 JGAARN COCC(=O)Nc1cc(C(=O)N[C@@H](C)c2nccs2)cc2nc(-c3cccnc3)n(C)c21 ZINC000015002537 555847620 /nfs/dbraw/zinc/84/76/20/555847620.db2.gz MUYZCZPTELKTGJ-ZDUSSCGKSA-N 0 0 450.524 3.168 50 0 JGAARN Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)NCC2(N4CCOCC4)CCCC2)C3)c1 ZINC000020775609 555847701 /nfs/dbraw/zinc/84/77/01/555847701.db2.gz CVDOHZMBGIHJRF-IBGZPJMESA-N 0 0 496.633 3.210 50 0 JGAARN 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CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCCCc1ccccc1 ZINC000021636038 555855235 /nfs/dbraw/zinc/85/52/35/555855235.db2.gz PCJFWMDHMBNRCH-DEOSSOPVSA-N 0 0 483.634 3.278 50 0 JGAARN COc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(OC)c(Cl)c2)c2cccnc2)cc1 ZINC000011907065 555855259 /nfs/dbraw/zinc/85/52/59/555855259.db2.gz SRFCEWKPVNRJTG-NRFANRHFSA-N 0 0 496.994 3.246 50 0 JGAARN COCC(=O)Nc1cc2ncn(Cc3ccc(F)cc3)c2c(C(=O)NCCc2ccco2)c1 ZINC000011908988 555855958 /nfs/dbraw/zinc/85/59/58/555855958.db2.gz RGRLLQUBHNLDPP-UHFFFAOYSA-N 0 0 450.470 3.374 50 0 JGAARN Cn1ccnc1[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011910454 555857689 /nfs/dbraw/zinc/85/76/89/555857689.db2.gz ATYJAFQSWCXGAF-WXVAWEFUSA-N 0 0 489.551 3.295 50 0 JGAARN Cn1ccnc1[C@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011910453 555857789 /nfs/dbraw/zinc/85/77/89/555857789.db2.gz ATYJAFQSWCXGAF-AMGIVPHBSA-N 0 0 489.551 3.295 50 0 JGAARN COc1ccccc1[C@H]([C@H](O)C(=O)c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 ZINC000015017608 555858631 /nfs/dbraw/zinc/85/86/31/555858631.db2.gz XYALGUKDVRVENS-NOZRDPDXSA-N 0 0 457.534 3.074 50 0 JGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000015018583 555859060 /nfs/dbraw/zinc/85/90/60/555859060.db2.gz TVMVAXYSOUSRSD-JKALPCAWSA-N 0 0 484.961 3.166 50 0 JGAARN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)N3C(=O)COc4ccccc43)n2C)cc1F ZINC000015019048 555859896 /nfs/dbraw/zinc/85/98/96/555859896.db2.gz UBDHVYFOQACHIH-CQSZACIVSA-N 0 0 455.515 3.480 50 0 JGAARN COc1ccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000021993448 555860155 /nfs/dbraw/zinc/86/01/55/555860155.db2.gz MKGKMIGTHBIHHS-QZTJIDSGSA-N 0 0 499.589 3.035 50 0 JGAARN COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N(C)Cc2cnc3ccccn23)c1 ZINC000011912141 555860294 /nfs/dbraw/zinc/86/02/94/555860294.db2.gz FHSVRBNMFJYDAC-UHFFFAOYSA-N 0 0 460.538 3.346 50 0 JGAARN Nc1nc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)nc2sc3c(c21)CCCCC3 ZINC000022000188 555860565 /nfs/dbraw/zinc/86/05/65/555860565.db2.gz YIAOCYKMJXKCJP-NSHDSACASA-N 0 0 465.626 3.195 50 0 JGAARN Cn1c2ccc(NC3=C(C(=O)Nc4ccc(F)cc4)S(=O)(=O)c4ccccc43)cc2n(C)c1=O ZINC000015019362 555860763 /nfs/dbraw/zinc/86/07/63/555860763.db2.gz KRKNGNLPHXKOFA-UHFFFAOYSA-N 0 0 478.505 3.223 50 0 JGAARN O=C(C1=C(Nc2ccc(N3CCCC3)c(Cl)c2)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000015019353 555860809 /nfs/dbraw/zinc/86/08/09/555860809.db2.gz RFEJSGJTNPOWJO-UHFFFAOYSA-N 0 0 473.982 3.367 50 0 JGAARN CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)N(C)c1ccccc1 ZINC000015019633 555861514 /nfs/dbraw/zinc/86/15/14/555861514.db2.gz DJHGRQZRBNTIMG-UHFFFAOYSA-N 0 0 473.624 3.328 50 0 JGAARN CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)N(C)C1CCCCC1 ZINC000015019635 555861537 /nfs/dbraw/zinc/86/15/37/555861537.db2.gz JUQAABGIKOXSAP-UHFFFAOYSA-N 0 0 479.672 3.456 50 0 JGAARN Cc1ccc(N(Cc2nnc(SCC(=O)Nc3cc(F)ccc3F)n2C)S(C)(=O)=O)cc1 ZINC000015019647 555861540 /nfs/dbraw/zinc/86/15/40/555861540.db2.gz GRNAGINHTISLFA-UHFFFAOYSA-N 0 0 481.550 3.099 50 0 JGAARN CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000015019632 555861559 /nfs/dbraw/zinc/86/15/59/555861559.db2.gz MHEYJYBTKHFZTJ-UHFFFAOYSA-N 0 0 477.587 3.443 50 0 JGAARN Cc1ccc(N(Cc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)S(C)(=O)=O)cc1 ZINC000015019668 555861822 /nfs/dbraw/zinc/86/18/22/555861822.db2.gz HIMAMYGBHYNWDO-QGZVFWFLSA-N 0 0 473.624 3.059 50 0 JGAARN Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000015019715 555862171 /nfs/dbraw/zinc/86/21/71/555862171.db2.gz ZBPGSHOCZQJXHY-UHFFFAOYSA-N 0 0 465.988 3.166 50 0 JGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C ZINC000015019718 555862224 /nfs/dbraw/zinc/86/22/24/555862224.db2.gz ZUEBJVZPQUCZRU-UHFFFAOYSA-N 0 0 496.014 3.174 50 0 JGAARN COCc1nc2cc(NC(=O)Cc3ccccc3)cc(C(=O)NCCCOc3cccnc3)c2n1C ZINC000011913129 555862834 /nfs/dbraw/zinc/86/28/34/555862834.db2.gz ZJKOJLCEEUKXQD-UHFFFAOYSA-N 0 0 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CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000110 569745480 /nfs/dbraw/zinc/74/54/80/569745480.db2.gz MRQICEZUCVSEMH-HOYKHHGWSA-N 0 0 494.567 3.186 50 0 JGAARN CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1OCC ZINC000097655183 569745623 /nfs/dbraw/zinc/74/56/23/569745623.db2.gz XMMAWAAVAARLAN-XFXZXTDPSA-N 0 0 457.523 3.417 50 0 JGAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cccs4)CC3)nc3cccnc32)c1 ZINC000097937946 569745957 /nfs/dbraw/zinc/74/59/57/569745957.db2.gz WNZNAOPYLSGCMT-UHFFFAOYSA-N 0 0 453.593 3.297 50 0 JGAARN Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3cccnc32)c1 ZINC000097937939 569746022 /nfs/dbraw/zinc/74/60/22/569746022.db2.gz PHWGZEDAJLECHX-UHFFFAOYSA-N 0 0 465.554 3.375 50 0 JGAARN O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(Cl)c2)on1)NC[C@H]1CCCO1 ZINC000036002546 569746310 /nfs/dbraw/zinc/74/63/10/569746310.db2.gz QUYOFRRHUWOSDI-MOPGFXCFSA-N 0 0 461.946 3.302 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5cc(Cl)ccc5F)CC4)c3CO2)cc1 ZINC000097943609 569746389 /nfs/dbraw/zinc/74/63/89/569746389.db2.gz YLNFLVGWSLIRDQ-NRFANRHFSA-N 0 0 483.931 3.249 50 0 JGAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)N[C@H](C)c5ccccc5)CC4)c3CO2)cc1 ZINC000097943672 569746403 /nfs/dbraw/zinc/74/64/03/569746403.db2.gz WRWGGTKEPCMMJF-HOYKHHGWSA-N 0 0 489.576 3.288 50 0 JGAARN Cc1ccc(CNC(=O)C2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943708 569746511 /nfs/dbraw/zinc/74/65/11/569746511.db2.gz DOAMYWAATKBRBZ-DEOSSOPVSA-N 0 0 473.577 3.335 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5cccc(C)c5)CC4)c3CO2)cc1 ZINC000097943779 569746603 /nfs/dbraw/zinc/74/66/03/569746603.db2.gz RUYDOUKTMXFGGP-DEOSSOPVSA-N 0 0 473.577 3.335 50 0 JGAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CCCOC)S(=O)(=O)c2ccccc2)c1C ZINC000036003892 569746739 /nfs/dbraw/zinc/74/67/39/569746739.db2.gz YDGMZOAUSXNKEN-QGZVFWFLSA-N 0 0 450.557 3.107 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036005417 569747126 /nfs/dbraw/zinc/74/71/26/569747126.db2.gz UJGOVFYZKWGXSW-HSZRJFAPSA-N 0 0 499.656 3.449 50 0 JGAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccccc3)C(=O)C3CC3)cc2)CC1 ZINC000036005729 569747200 /nfs/dbraw/zinc/74/72/00/569747200.db2.gz SYQZHTCGYPUCSJ-UHFFFAOYSA-N 0 0 477.609 3.304 50 0 JGAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(=O)c1cccs1 ZINC000036005745 569747242 /nfs/dbraw/zinc/74/72/42/569747242.db2.gz BBTAUBKGDMXGGY-UHFFFAOYSA-N 0 0 471.627 3.479 50 0 JGAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCN(C(=O)C2CC2)CC1 ZINC000036005821 569747352 /nfs/dbraw/zinc/74/73/52/569747352.db2.gz XXQAOZQBSXPUIL-UHFFFAOYSA-N 0 0 452.555 3.463 50 0 JGAARN CCCNC(=O)Nc1ccc(N2CCCN(C(=O)NC(C)C)CC2)c(C(=O)N(CC)CC)c1 ZINC000036005970 569747437 /nfs/dbraw/zinc/74/74/37/569747437.db2.gz BWGLJYOOXCMICY-UHFFFAOYSA-N 0 0 460.623 3.330 50 0 JGAARN COc1ccc([C@@H]2CN(C(=O)Cc3ccccc3)C[C@@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000097954286 569747636 /nfs/dbraw/zinc/74/76/36/569747636.db2.gz NDIXOGRKFIYBBJ-ZEQRLZLVSA-N 0 0 459.546 3.200 50 0 JGAARN CCN1CCN(C(=O)CN(C)C(=O)c2csc(Nc3cccc(Cl)c3Cl)n2)CC1 ZINC000036010947 569748158 /nfs/dbraw/zinc/74/81/58/569748158.db2.gz BPZDBGMWDFIYEU-UHFFFAOYSA-N 0 0 456.399 3.430 50 0 JGAARN CCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(C)C ZINC000036013305 569748516 /nfs/dbraw/zinc/74/85/16/569748516.db2.gz ZGWKHQHUAYRTIR-UHFFFAOYSA-N 0 0 454.546 3.374 50 0 JGAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)C1CC1 ZINC000036013337 569748531 /nfs/dbraw/zinc/74/85/31/569748531.db2.gz BFBDKLSCFYEBKL-UHFFFAOYSA-N 0 0 466.557 3.375 50 0 JGAARN CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(C)C ZINC000036013513 569748607 /nfs/dbraw/zinc/74/86/07/569748607.db2.gz XZDYWSLAVKXGLR-UHFFFAOYSA-N 0 0 455.534 3.375 50 0 JGAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)C(=O)C1CC1 ZINC000036013550 569748617 /nfs/dbraw/zinc/74/86/17/569748617.db2.gz AEDPGVYBERTGLD-UHFFFAOYSA-N 0 0 469.630 3.436 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036013926 569748778 /nfs/dbraw/zinc/74/87/78/569748778.db2.gz DAVMFUDCUNXDCK-DEOSSOPVSA-N 0 0 499.656 3.449 50 0 JGAARN O=C(NCCN1C(=O)SC(=Cc2ccc(OC(F)F)cc2)C1=O)c1ccc2n[nH]nc2c1 ZINC000097996043 569748888 /nfs/dbraw/zinc/74/88/88/569748888.db2.gz WUNSRFDFPLXXPE-CXUHLZMHSA-N 0 0 459.434 3.026 50 0 JGAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCc3ccncc3)no2)c1 ZINC000036014706 569748928 /nfs/dbraw/zinc/74/89/28/569748928.db2.gz YIPPJVSCSWCFAZ-FQEVSTJZSA-N 0 0 450.495 3.065 50 0 JGAARN Cc1ccc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1C ZINC000097996354 569748957 /nfs/dbraw/zinc/74/89/57/569748957.db2.gz RHZADBWQOHNUCR-XDHOZWIPSA-N 0 0 455.511 3.025 50 0 JGAARN Cc1ccc(C)c(-c2cc(C(=O)N(CCC(=O)NC[C@H]3CCCO3)C[C@H]3CCCO3)no2)c1 ZINC000036015534 569749133 /nfs/dbraw/zinc/74/91/33/569749133.db2.gz DBBFNUAWPUUHAV-WOJBJXKFSA-N 0 0 455.555 3.265 50 0 JGAARN COc1ccc(S(=O)(=O)NCCNc2nc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000036016725 569749373 /nfs/dbraw/zinc/74/93/73/569749373.db2.gz ILVKUNFRQGVEDU-UHFFFAOYSA-N 0 0 478.578 3.400 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000036016755 569749394 /nfs/dbraw/zinc/74/93/94/569749394.db2.gz QPRIFLOLNADMCV-JOCHJYFZSA-N 0 0 482.606 3.110 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036017345 569749509 /nfs/dbraw/zinc/74/95/09/569749509.db2.gz NKCHOPGDSLNULQ-HSZRJFAPSA-N 0 0 499.656 3.333 50 0 JGAARN CCOCCCN([C@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000036018956 569749649 /nfs/dbraw/zinc/74/96/49/569749649.db2.gz RJKJAIFCBQWMMP-LJQANCHMSA-N 0 0 478.611 3.426 50 0 JGAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)N2CCOCC2)CC1 ZINC000036019287 569749747 /nfs/dbraw/zinc/74/97/47/569749747.db2.gz LLIPTUVZNRFUME-UHFFFAOYSA-N 0 0 496.583 3.245 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COc1cc(C(=O)COC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C)N3)cc(OC)c1OC ZINC000098086782 569750473 /nfs/dbraw/zinc/75/04/73/569750473.db2.gz RUTQEWZYTOFGJY-MGPLVRAMSA-N 0 0 457.405 3.256 50 0 JGAARN COCCN(CC(=O)Nc1cc(N2CCN(C(=O)NC(C)C)CC2)ccc1Cl)C(=O)CC(C)C ZINC000036025835 569750707 /nfs/dbraw/zinc/75/07/07/569750707.db2.gz PGQDHXTTZUGROU-UHFFFAOYSA-N 0 0 496.052 3.040 50 0 JGAARN CCC(=O)N1CCC2(CC1)N[C@H](Cc1ccccc1)C(=O)N2CCc1ccc(OC)c(OC)c1 ZINC000036026425 569750780 /nfs/dbraw/zinc/75/07/80/569750780.db2.gz DIFMTIPRNYCGBL-JOCHJYFZSA-N 0 0 465.594 3.018 50 0 JGAARN C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(Cc2ccccc2)C1=O ZINC000036027110 569750893 /nfs/dbraw/zinc/75/08/93/569750893.db2.gz BNAWCFZEGSRGOU-MRXNPFEDSA-N 0 0 467.513 3.207 50 0 JGAARN CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036027379 569750910 /nfs/dbraw/zinc/75/09/10/569750910.db2.gz HXZITBJZVODUGG-REWPJTCUSA-N 0 0 455.624 3.257 50 0 JGAARN CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000036027394 569750979 /nfs/dbraw/zinc/75/09/79/569750979.db2.gz KBROWAJUGSZWKD-YKSBVNFPSA-N 0 0 485.650 3.265 50 0 JGAARN COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030329 569751575 /nfs/dbraw/zinc/75/15/75/569751575.db2.gz QEHIISNUGHEHSP-DEOSSOPVSA-N 0 0 497.617 3.325 50 0 JGAARN CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CC(C)C)C1CC1 ZINC000036032076 569752093 /nfs/dbraw/zinc/75/20/93/569752093.db2.gz UTBZIKHYURDMPN-UHFFFAOYSA-N 0 0 464.657 3.380 50 0 JGAARN COCCn1c(CN(CC2CC2)C(=O)CC(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039899 569752828 /nfs/dbraw/zinc/75/28/28/569752828.db2.gz ICYYWVXQHRKQLE-UHFFFAOYSA-N 0 0 465.591 3.427 50 0 JGAARN CCNC(=O)N(CCOC)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1 ZINC000036040549 569753096 /nfs/dbraw/zinc/75/30/96/569753096.db2.gz XDETUSXXCOGEAT-UHFFFAOYSA-N 0 0 488.585 3.222 50 0 JGAARN CCNC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC)C(C)C ZINC000036040525 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COC(=O)c1ccc(-n2ncc(N3CCC(c4nnc5ccccn54)CC3)c(Cl)c2=O)cc1 ZINC000012904048 195178831 /nfs/dbraw/zinc/17/88/31/195178831.db2.gz HMCYKWLXNRPAGG-UHFFFAOYSA-N 0 0 464.913 3.099 50 0 JGAARN C[C@H]1Oc2ccccc2N(CCC(=O)N(C)CC(=O)Nc2ccccc2Br)C1=O ZINC000012904717 195179016 /nfs/dbraw/zinc/17/90/16/195179016.db2.gz UOZRBFWCFKMBMJ-CQSZACIVSA-N 0 0 460.328 3.050 50 0 JGAARN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2=O)cc1 ZINC000012905991 195179867 /nfs/dbraw/zinc/17/98/67/195179867.db2.gz VQYLMCLNCXVKJL-HXUWFJFHSA-N 0 0 455.580 3.157 50 0 JGAARN O=C(CNS(=O)(=O)c1cccc(F)c1)OCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000012907061 195180370 /nfs/dbraw/zinc/18/03/70/195180370.db2.gz HIAALIRJTXRPQP-UHFFFAOYSA-N 0 0 468.506 3.111 50 0 JGAARN O=c1c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c([O-])n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000020611155 195184944 /nfs/dbraw/zinc/18/49/44/195184944.db2.gz HRZMTJZYIVBRLN-DEOSSOPVSA-N 0 0 450.498 3.410 50 0 biogenic JGAARN O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000020614674 195187025 /nfs/dbraw/zinc/18/70/25/195187025.db2.gz MXFDXJKNBFXPMY-IBGZPJMESA-N 0 0 480.970 3.488 50 0 JGAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1 ZINC000020614797 195187050 /nfs/dbraw/zinc/18/70/50/195187050.db2.gz NQWNDGSQJUSTSY-UHFFFAOYSA-N 0 0 454.470 3.359 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)n(C)nc4C(F)(F)F)CC2)cc1 ZINC000020616650 195188304 /nfs/dbraw/zinc/18/83/04/195188304.db2.gz WPZIZDFHMVMBAT-UHFFFAOYSA-N 0 0 472.514 3.109 50 0 JGAARN CCn1nc(C)c(CN2CCN(C(=O)c3cc4c(s3)n(C)nc4C(F)(F)F)CC2)c1C ZINC000020616976 195188802 /nfs/dbraw/zinc/18/88/02/195188802.db2.gz ZOHLHSCSVCPICT-UHFFFAOYSA-N 0 0 454.522 3.445 50 0 JGAARN CC[C@@H](C(=O)Nc1nn(C)c(C)c1Cl)n1ccc(C(=O)Nc2nn(C)c(C)c2Cl)n1 ZINC000020617636 195189567 /nfs/dbraw/zinc/18/95/67/195189567.db2.gz SBYPBDVRVNVUGI-LBPRGKRZSA-N 0 0 453.334 3.116 50 0 JGAARN CCOc1ccc(N(Cc2cc(C=O)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000020618148 195190005 /nfs/dbraw/zinc/19/00/05/195190005.db2.gz PSKPDVBKDJUYRU-PZJWPPBQSA-N 0 0 460.577 3.181 50 0 JGAARN O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000020676323 195200846 /nfs/dbraw/zinc/20/08/46/195200846.db2.gz JXGOHSVNYQRZPA-AREMUKBSSA-N 0 0 476.577 3.113 50 0 JGAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(=O)c3ccco3)CC1)n2C ZINC000020677439 195202245 /nfs/dbraw/zinc/20/22/45/195202245.db2.gz ZAZQLENUSPPPJJ-UHFFFAOYSA-N 0 0 473.533 3.385 50 0 JGAARN Cc1cccc(N2CCN(C(=O)C[C@@H](C(=O)N3CCc4ccccc43)n3ccnc3)C[C@H]2C)c1 ZINC000020682790 195204550 /nfs/dbraw/zinc/20/45/50/195204550.db2.gz AFSNFKSLJZENIQ-BWKNWUBXSA-N 0 0 457.578 3.449 50 0 JGAARN O=C(Cn1ccc2cc(Br)ccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000020722464 195206699 /nfs/dbraw/zinc/20/66/99/195206699.db2.gz KXHVASSFKLAGBU-UHFFFAOYSA-N 0 0 480.359 3.076 50 0 JGAARN CCCn1c(=O)c2c(nc1N1CCN(C(=O)COc3ccccc3)CC1)sc1c2CCCC1 ZINC000020723967 195206984 /nfs/dbraw/zinc/20/69/84/195206984.db2.gz VJBIVVCWQRSDBR-UHFFFAOYSA-N 0 0 466.607 3.474 50 0 JGAARN CCCC(=O)Nc1cc(C(=O)NCC(OC)OC)ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020730777 195209859 /nfs/dbraw/zinc/20/98/59/195209859.db2.gz CYUDUTWAAXEOEN-UHFFFAOYSA-N 0 0 468.959 3.260 50 0 JGAARN COc1ccc(CN2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c(OC)c1OC ZINC000020730567 195209955 /nfs/dbraw/zinc/20/99/55/195209955.db2.gz JLHXDWMBSDFHRS-QFIPXVFZSA-N 0 0 453.539 3.446 50 0 JGAARN CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Br)s1 ZINC000020814865 195229286 /nfs/dbraw/zinc/22/92/86/195229286.db2.gz NNEFGSAAUYRJKN-UHFFFAOYSA-N 0 0 454.346 3.452 50 0 JGAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2nc(-c3ccc(OC)c(OC)c3)no2)CC1 ZINC000020847904 195230286 /nfs/dbraw/zinc/23/02/86/195230286.db2.gz VHHJLTGMOQWSHN-UHFFFAOYSA-N 0 0 466.494 3.396 50 0 JGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000020849063 195230543 /nfs/dbraw/zinc/23/05/43/195230543.db2.gz MFNFLXIXFRVGEI-QGZVFWFLSA-N 0 0 470.956 3.055 50 0 JGAARN COc1ccc(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1OC ZINC000020767384 195222821 /nfs/dbraw/zinc/22/28/21/195222821.db2.gz ZTVWCCPSNTZMSD-UHFFFAOYSA-N 0 0 473.378 3.200 50 0 JGAARN COc1ccccc1-n1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2c1=O ZINC000020768709 195223469 /nfs/dbraw/zinc/22/34/69/195223469.db2.gz XCGNBLULJFJPRW-UHFFFAOYSA-N 0 0 498.539 3.081 50 0 JGAARN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000020899017 195240842 /nfs/dbraw/zinc/24/08/42/195240842.db2.gz PSFMHPZXLZZDFW-SFHVURJKSA-N 0 0 452.292 3.450 50 0 JGAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000020898687 195240897 /nfs/dbraw/zinc/24/08/97/195240897.db2.gz QCLCHBBJSXUDGM-QHCPKHFHSA-N 0 0 466.563 3.391 50 0 JGAARN CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(S(=O)(=O)c1ccc(OC)c(OC)c1)CC2 ZINC000020920863 195247723 /nfs/dbraw/zinc/24/77/23/195247723.db2.gz VOMGOOOYNFTRTB-IBGZPJMESA-N 0 0 493.578 3.352 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000020860488 195233195 /nfs/dbraw/zinc/23/31/95/195233195.db2.gz KHWDISZCGMIDFL-UUOWRZLLSA-N 0 0 469.607 3.406 50 0 JGAARN COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C(=O)Cc2ccsc2)C3)cc1 ZINC000020867846 195234687 /nfs/dbraw/zinc/23/46/87/195234687.db2.gz DIVGNPZOQYBKEK-UHFFFAOYSA-N 0 0 452.580 3.025 50 0 JGAARN O=C(c1cc(F)cc(F)c1)N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[nH]2)CC1 ZINC000020867753 195234786 /nfs/dbraw/zinc/23/47/86/195234786.db2.gz MYOVHJDZLXSONU-UHFFFAOYSA-N 0 0 468.439 3.000 50 0 JGAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000020893216 195237792 /nfs/dbraw/zinc/23/77/92/195237792.db2.gz RLIYRNWKELNSIE-UHFFFAOYSA-N 0 0 454.527 3.167 50 0 JGAARN Cn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020893120 195237831 /nfs/dbraw/zinc/23/78/31/195237831.db2.gz GFFBKLDHBRRXLQ-UHFFFAOYSA-N 0 0 483.638 3.200 50 0 JGAARN COc1ccc(CCNC(=O)Cn2cnc3c(c(C)c(C)n3-c3ccccc3)c2=O)cc1OC ZINC000020946904 195257083 /nfs/dbraw/zinc/25/70/83/195257083.db2.gz XNYOULXNKUKDSK-UHFFFAOYSA-N 0 0 460.534 3.180 50 0 JGAARN COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc(-c3cc(C)no3)s2)CC1 ZINC000020978523 195258550 /nfs/dbraw/zinc/25/85/50/195258550.db2.gz YDZOXOBKLMSRGV-UHFFFAOYSA-N 0 0 476.624 3.211 50 0 JGAARN C[C@@H](OC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)n1)C(=O)N(C)c1ccccc1 ZINC000020982786 195259300 /nfs/dbraw/zinc/25/93/00/195259300.db2.gz VSAHICUXWXIXQX-KDURUIRLSA-N 0 0 489.528 3.498 50 0 JGAARN CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)cc2NC1=O ZINC000020923026 195248662 /nfs/dbraw/zinc/24/86/62/195248662.db2.gz NSCIEXSKMZVQEB-NRFANRHFSA-N 0 0 487.647 3.018 50 0 JGAARN Cc1c(Cl)cccc1N1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020928092 195249576 /nfs/dbraw/zinc/24/95/76/195249576.db2.gz BEJUHTYEPOVNAR-JOCHJYFZSA-N 0 0 470.035 3.244 50 0 JGAARN CCCS(=O)(=O)N1CC(=O)N(c2cccc(Cl)c2C)[C@@](C)(C(=O)NC2CCCCC2)C1 ZINC000020928541 195249847 /nfs/dbraw/zinc/24/98/47/195249847.db2.gz YZNAHIFBQZBKFZ-JOCHJYFZSA-N 0 0 470.035 3.244 50 0 JGAARN CCS(=O)(=O)N1CC(=O)N(c2ccc(C)c(C)c2)[C@](C)(C(=O)NC2CCCCCCC2)C1 ZINC000020928298 195249919 /nfs/dbraw/zinc/24/99/19/195249919.db2.gz HMTUBOYUXLPHTG-DEOSSOPVSA-N 0 0 463.644 3.290 50 0 JGAARN C[C@@]1(C(=O)NC2CCCCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1cccc(F)c1 ZINC000020928691 195250088 /nfs/dbraw/zinc/25/00/88/195250088.db2.gz AZUPWGYYOVXIBC-VWLOTQADSA-N 0 0 487.597 3.461 50 0 JGAARN C[C@]1(C(=O)NC2CCCC2)CN(S(=O)(=O)c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 ZINC000020928881 195250204 /nfs/dbraw/zinc/25/02/04/195250204.db2.gz PMEMQHUPHCQQLR-HSZRJFAPSA-N 0 0 475.998 3.195 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)cc3C)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929137 195250357 /nfs/dbraw/zinc/25/03/57/195250357.db2.gz LDZCCZHCSGUJHJ-SANMLTNESA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cc(C)cc(C)c3)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929162 195250375 /nfs/dbraw/zinc/25/03/75/195250375.db2.gz QNVFGKAEHTYDMU-SANMLTNESA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NCCC(C)C)C2)cc1 ZINC000020929516 195250638 /nfs/dbraw/zinc/25/06/38/195250638.db2.gz RELDKJVKCRXJSJ-RUZDIDTESA-N 0 0 471.623 3.262 50 0 JGAARN C[C@H](OC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)n1)C(=O)N(C)c1ccccc1 ZINC000020982792 195259410 /nfs/dbraw/zinc/25/94/10/195259410.db2.gz VSAHICUXWXIXQX-OALUTQOASA-N 0 0 489.528 3.498 50 0 JGAARN CCN(C(=O)CCc1nc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)no1)c1ccccc1 ZINC000020936737 195253131 /nfs/dbraw/zinc/25/31/31/195253131.db2.gz VNLXNPYFJGXZBK-UHFFFAOYSA-N 0 0 483.519 3.292 50 0 JGAARN Cc1cccc(N2CCN(CCNC(=O)CCC(=O)N3C[C@@H]4CCCN4c4ccccc43)CC2)c1C ZINC000020988033 195261487 /nfs/dbraw/zinc/26/14/87/195261487.db2.gz XPWOYAZOAZHUPK-DEOSSOPVSA-N 0 0 489.664 3.337 50 0 JGAARN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)C2)cc1 ZINC000020995416 195264327 /nfs/dbraw/zinc/26/43/27/195264327.db2.gz VPOWFJWIMBILSC-CVTTXWKISA-N 0 0 485.562 3.472 50 0 JGAARN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H](C)N2CCOCC2)CC1 ZINC000020998166 195264793 /nfs/dbraw/zinc/26/47/93/195264793.db2.gz AWVPLADDRVOAKY-CJFMBICVSA-N 0 0 467.610 3.231 50 0 JGAARN COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000020998154 195264950 /nfs/dbraw/zinc/26/49/50/195264950.db2.gz VFOBIXXCRBAABW-UHFFFAOYSA-N 0 0 472.998 3.297 50 0 JGAARN COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000021011199 195266675 /nfs/dbraw/zinc/26/66/75/195266675.db2.gz OCUGZGFPWBVYHX-UHFFFAOYSA-N 0 0 472.474 3.282 50 0 JGAARN CNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000021020180 195267176 /nfs/dbraw/zinc/26/71/76/195267176.db2.gz CCXVMDAEWPEBOQ-UHFFFAOYSA-N 0 0 488.997 3.170 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)Nc1cccc(Cl)c1C ZINC000021022162 195267795 /nfs/dbraw/zinc/26/77/95/195267795.db2.gz 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/nfs/dbraw/zinc/36/81/24/523368124.db2.gz VCHJIFNPRVXROM-UHFFFAOYSA-N 0 0 498.561 3.399 50 0 JGAARN CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000021709314 523376389 /nfs/dbraw/zinc/37/63/89/523376389.db2.gz JNHYDVHBOZYBML-UHFFFAOYSA-N 0 0 457.521 3.312 50 0 JGAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(OC)c1)C(=O)C[C@H]2c1ccc(OC)cc1 ZINC000066089772 523389629 /nfs/dbraw/zinc/38/96/29/523389629.db2.gz HPUFYCPGGKWYQS-SFHVURJKSA-N 0 0 454.504 3.300 50 0 JGAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[C@@H](NC(C)=O)c3ccccc3)C2=O)cc1 ZINC000013683721 523413077 /nfs/dbraw/zinc/41/30/77/523413077.db2.gz QAHYCBVCOIJIRD-DOAWATSRSA-N 0 0 467.547 3.115 50 0 JGAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)C2=O)cc1 ZINC000033477488 523414717 /nfs/dbraw/zinc/41/47/17/523414717.db2.gz SFKPYDNZZBQLJM-UKQGIEBLSA-N 0 0 499.564 3.441 50 0 JGAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCc5ccccc54)C3)c(C)cc2NC1=O ZINC000035396613 523416402 /nfs/dbraw/zinc/41/64/02/523416402.db2.gz ZJIKBUFVWVOHEE-SIKLNZKXSA-N 0 0 497.617 3.485 50 0 JGAARN CC[C@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(F)c4)C3)c(C)cc2NC1=O ZINC000035379276 523419738 /nfs/dbraw/zinc/41/97/38/523419738.db2.gz DUMAIALBXSTCKY-HNAYVOBHSA-N 0 0 475.542 3.283 50 0 JGAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016699896 523463447 /nfs/dbraw/zinc/46/34/47/523463447.db2.gz ROZLQOODTLEBLF-YJADQXIJSA-N 0 0 478.570 3.204 50 0 JGAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000016839026 523486941 /nfs/dbraw/zinc/48/69/41/523486941.db2.gz SCYPOVOHIYMORY-UHFFFAOYSA-N 0 0 491.498 3.035 50 0 JGAARN CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1CN(C(=O)CCOc1ccccc1)CC2 ZINC000014536258 523536929 /nfs/dbraw/zinc/53/69/29/523536929.db2.gz IJKCDSGHXPHFPK-UHFFFAOYSA-N 0 0 479.606 3.376 50 0 JGAARN COCCN(C(=O)CSC(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014721252 523538322 /nfs/dbraw/zinc/53/83/22/523538322.db2.gz XCFNCKXICXALIQ-UHFFFAOYSA-N 0 0 496.633 3.277 50 0 JGAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)CC2)c1 ZINC000035428646 523565566 /nfs/dbraw/zinc/56/55/66/523565566.db2.gz LZJVQHFRAAZHQI-UHFFFAOYSA-N 0 0 459.616 3.179 50 0 JGAARN COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000666304 523585438 /nfs/dbraw/zinc/58/54/38/523585438.db2.gz DTHDFECHWCMDOZ-ATEVHTGXSA-N 0 0 481.504 3.313 50 0 JGAARN CC[C@@H]1Oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccccc4OC)C3)c(C)cc2NC1=O ZINC000035396686 523605291 /nfs/dbraw/zinc/60/52/91/523605291.db2.gz JIOUGLRWFXPGIX-LPHOPBHVSA-N 0 0 487.578 3.153 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccc(C)cc3)C(=O)NCC(C)C)CC2)cc1 ZINC000036212863 523622589 /nfs/dbraw/zinc/62/25/89/523622589.db2.gz LSGGTBAALLBHPW-XMMPIXPASA-N 0 0 465.594 3.427 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)N3CCCC3)CC2)cc1 ZINC000036210845 523624524 /nfs/dbraw/zinc/62/45/24/523624524.db2.gz ITBVPVYVNSUOJT-XMMPIXPASA-N 0 0 463.578 3.277 50 0 JGAARN CCn1nc(C)c(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C ZINC000065062026 523636663 /nfs/dbraw/zinc/63/66/63/523636663.db2.gz FUKZABWKRPFYAF-UHFFFAOYSA-N 0 0 473.064 3.384 50 0 JGAARN CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2)C1 ZINC000013809650 523639697 /nfs/dbraw/zinc/63/96/97/523639697.db2.gz ZHJXZQACGQYGRI-MRXNPFEDSA-N 0 0 484.391 3.298 50 0 JGAARN CCn1nc(C)c(CN2CCc3c(C(=O)OC)c(OCc4ccc(F)cc4)cc(=O)n3CC2)c1C ZINC000014882027 523644335 /nfs/dbraw/zinc/64/43/35/523644335.db2.gz JRBSNLVYRUUBKA-UHFFFAOYSA-N 0 0 482.556 3.245 50 0 JGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1 ZINC000036069999 523644724 /nfs/dbraw/zinc/64/47/24/523644724.db2.gz QRNFUNAWIRSYMP-UHFFFAOYSA-N 0 0 487.604 3.280 50 0 JGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)CC(C)C ZINC000036069997 523645683 /nfs/dbraw/zinc/64/56/83/523645683.db2.gz JDDNQKHYBRJDMH-UHFFFAOYSA-N 0 0 467.614 3.012 50 0 JGAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)C(C)C ZINC000036117177 523647550 /nfs/dbraw/zinc/64/75/50/523647550.db2.gz UTGQUYVAIWUDHP-NRFANRHFSA-N 0 0 460.596 3.393 50 0 JGAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C(C)C ZINC000036117599 523649188 /nfs/dbraw/zinc/64/91/88/523649188.db2.gz MCDMWVPLTHFQSZ-IBGZPJMESA-N 0 0 460.596 3.393 50 0 JGAARN COc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(OC)c(OC)c4)cc32)cc1 ZINC000065002633 523666855 /nfs/dbraw/zinc/66/68/55/523666855.db2.gz YXGQCWWMNGUNGG-UHFFFAOYSA-N 0 0 482.558 3.394 50 0 JGAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1Cl ZINC000035374109 523670435 /nfs/dbraw/zinc/67/04/35/523670435.db2.gz WJGHCOSHGFCOEB-UHFFFAOYSA-N 0 0 469.904 3.168 50 0 JGAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)c21 ZINC000033299104 523670978 /nfs/dbraw/zinc/67/09/78/523670978.db2.gz OWOJFARKKFJTMP-UHFFFAOYSA-N 0 0 450.562 3.464 50 0 JGAARN CCn1ncc(Br)c1CNC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000002809361 523688241 /nfs/dbraw/zinc/68/82/41/523688241.db2.gz LXRJZFTWUGTKSQ-UHFFFAOYSA-N 0 0 450.358 3.299 50 0 JGAARN COc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1 ZINC000004057641 523703561 /nfs/dbraw/zinc/70/35/61/523703561.db2.gz RVZZHPGOPCJKAM-UHFFFAOYSA-N 0 0 453.564 3.031 50 0 JGAARN CN1C(=O)C[C@](CC(=O)N2CCC([C@@H](O)c3cccs3)CC2)(c2ccccc2Cl)C1=O ZINC000014979947 523712848 /nfs/dbraw/zinc/71/28/48/523712848.db2.gz NOHLLUCDLSXOPQ-GGAORHGYSA-N 0 0 460.983 3.390 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036210111 523716706 /nfs/dbraw/zinc/71/67/06/523716706.db2.gz AEQNAYYSKCJJJP-XMMPIXPASA-N 0 0 481.568 3.498 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000036210218 523717426 /nfs/dbraw/zinc/71/74/26/523717426.db2.gz ROSPGKOLSAXAHS-XMMPIXPASA-N 0 0 481.593 3.127 50 0 JGAARN CN1C(=O)c2cc(C(=O)NCCC3=CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875474 523727548 /nfs/dbraw/zinc/72/75/48/523727548.db2.gz YXOMSOWSIUCYPF-RUZDIDTESA-N 0 0 455.603 3.187 50 0 JGAARN CN1C(=O)c2cc(C(=O)Nc3ccccc3Cl)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875247 523731018 /nfs/dbraw/zinc/73/10/18/523731018.db2.gz DDIOLCCXGIORDE-QHCPKHFHSA-N 0 0 457.962 3.472 50 0 JGAARN CN1C(=O)c2cc(C(=O)Nc3ccc(F)cc3F)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875281 523731771 /nfs/dbraw/zinc/73/17/71/523731771.db2.gz WEQZIUBRENKJNG-QHCPKHFHSA-N 0 0 459.497 3.097 50 0 JGAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000036210191 523732051 /nfs/dbraw/zinc/73/20/51/523732051.db2.gz APQDOKFKEXKOHT-DEOSSOPVSA-N 0 0 481.593 3.127 50 0 JGAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3c(Nc3ccccc3)n2)C1=O ZINC000008710793 523732914 /nfs/dbraw/zinc/73/29/14/523732914.db2.gz XNUVGQBZJYPCHG-JOCHJYFZSA-N 0 0 450.524 3.217 50 0 JGAARN CC[C@@]1(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000014883681 523735348 /nfs/dbraw/zinc/73/53/48/523735348.db2.gz DKSSGUMQKHVZOM-SANMLTNESA-N 0 0 481.524 3.236 50 0 JGAARN CN1C(=O)c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2C1=O ZINC000009846268 523736210 /nfs/dbraw/zinc/73/62/10/523736210.db2.gz WWQJHQSDSVUUFD-UHFFFAOYSA-N 0 0 452.717 3.455 50 0 JGAARN COCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033069005 523740862 /nfs/dbraw/zinc/74/08/62/523740862.db2.gz VJZIUJSHLMDOOG-UHFFFAOYSA-N 0 0 473.595 3.309 50 0 JGAARN COc1ccc(C(=O)Nc2cc3c(cc2S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1OC ZINC000046146071 523745034 /nfs/dbraw/zinc/74/50/34/523745034.db2.gz QWGHHNLOFRIERQ-UHFFFAOYSA-N 0 0 499.520 3.118 50 0 JGAARN CC[C@H](C(=O)N1CCN(C(=O)Oc2ccccc2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000048235531 523760623 /nfs/dbraw/zinc/76/06/23/523760623.db2.gz VNKWPQVONQIQET-LJQANCHMSA-N 0 0 454.918 3.288 50 0 JGAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CSc2nc(C)cs2)C3)no1 ZINC000014995737 523768209 /nfs/dbraw/zinc/76/82/09/523768209.db2.gz PQNPGHXCIMEUQU-UHFFFAOYSA-N 0 0 471.608 3.312 50 0 JGAARN CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)/C=C/c2c(F)cccc2F)C3)n(C)n1 ZINC000014882629 523768711 /nfs/dbraw/zinc/76/87/11/523768711.db2.gz MKBZMVHSNRGTOX-CMDGGOBGSA-N 0 0 479.531 3.492 50 0 JGAARN COc1ccc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)cc1S(=O)(=O)N1CCCC1 ZINC000020020953 523772710 /nfs/dbraw/zinc/77/27/10/523772710.db2.gz XQFWURGTKPBUHJ-UHFFFAOYSA-N 0 0 453.900 3.219 50 0 JGAARN COc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 ZINC000016047813 523775683 /nfs/dbraw/zinc/77/56/83/523775683.db2.gz OVUPHKZDFQWTEZ-UHFFFAOYSA-N 0 0 459.505 3.360 50 0 JGAARN COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 ZINC000014746085 523801389 /nfs/dbraw/zinc/80/13/89/523801389.db2.gz NBBOYOSLILYKDP-UHFFFAOYSA-N 0 0 475.593 3.061 50 0 JGAARN COCCN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(C(=O)C=Cc3ccccc3)CC2)C1=O ZINC000014884179 523805266 /nfs/dbraw/zinc/80/52/66/523805266.db2.gz QSXKOERFOFMSOY-JZILDOMLSA-N 0 0 479.552 3.257 50 0 JGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccn3)CC2)[C@H]1c1cccs1 ZINC000020508077 523809542 /nfs/dbraw/zinc/80/95/42/523809542.db2.gz KCSMMKKWHQXWFC-BJKOFHAPSA-N 0 0 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CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 ZINC000031749178 556402648 /nfs/dbraw/zinc/40/26/48/556402648.db2.gz XSTPLLOZNIQOGI-DEOSSOPVSA-N 0 0 468.579 3.255 50 0 JGAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000031777900 556403928 /nfs/dbraw/zinc/40/39/28/556403928.db2.gz SQRZGEPILXFUIA-FQEVSTJZSA-N 0 0 452.898 3.185 50 0 JGAARN COC(=O)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1F)C(C)C ZINC000031811534 556406474 /nfs/dbraw/zinc/40/64/74/556406474.db2.gz OAQHDLKVNYIFQD-DOTOQJQBSA-N 0 0 453.312 3.166 50 0 JGAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnnn3C3CC3)ccc2C)cc1 ZINC000032062000 556412902 /nfs/dbraw/zinc/41/29/02/556412902.db2.gz XNVCIUMGOUAALB-UHFFFAOYSA-N 0 0 488.595 3.247 50 0 JGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N[C@H]3CCS(=O)(=O)C3)nn1-c1cccc(Cl)c1)C2 ZINC000032074456 556413946 /nfs/dbraw/zinc/41/39/46/556413946.db2.gz SPVPHEKFELKJJJ-HNNXBMFYSA-N 0 0 487.965 3.031 50 0 JGAARN CCN(CC)C(=O)Cn1nnc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c1=O ZINC000032097099 556415952 /nfs/dbraw/zinc/41/59/52/556415952.db2.gz AJUQRFAPSGNOHZ-UHFFFAOYSA-N 0 0 454.600 3.139 50 0 JGAARN CCOC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000032103224 556417255 /nfs/dbraw/zinc/41/72/55/556417255.db2.gz PDVOATWGSMTQND-NRFANRHFSA-N 0 0 450.495 3.320 50 0 JGAARN COC(=O)CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1 ZINC000032122934 556426277 /nfs/dbraw/zinc/42/62/77/556426277.db2.gz KBYJTUKSXCGUGN-GDNBJRDFSA-N 0 0 494.310 3.144 50 0 JGAARN COc1c2c(c(NC(=O)c3ccc4c(c3)C(=O)N(CCC(C)C)C4=O)c3c1CN(C)CC3)OCO2 ZINC000032124492 556427259 /nfs/dbraw/zinc/42/72/59/556427259.db2.gz NXXSTGITQQJMRQ-UHFFFAOYSA-N 0 0 479.533 3.306 50 0 biogenic JGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2ccc(C)cc2)C1 ZINC000032209838 556433759 /nfs/dbraw/zinc/43/37/59/556433759.db2.gz SICGIMXAHQSZKG-IBGZPJMESA-N 0 0 451.614 3.050 50 0 JGAARN O=C(NCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccnc1 ZINC000032365979 556434635 /nfs/dbraw/zinc/43/46/35/556434635.db2.gz DKSAUKWJRDJIQL-UHFFFAOYSA-N 0 0 492.479 3.061 50 0 JGAARN CCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000032493154 556436686 /nfs/dbraw/zinc/43/66/86/556436686.db2.gz ASYFVYYNURVBFQ-UHFFFAOYSA-N 0 0 455.502 3.213 50 0 JGAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000032622115 556451791 /nfs/dbraw/zinc/45/17/91/556451791.db2.gz AXQKHDILJADSMS-QFIPXVFZSA-N 0 0 484.936 3.428 50 0 JGAARN CC(=O)c1ccc(N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000032652523 556465845 /nfs/dbraw/zinc/46/58/45/556465845.db2.gz XXKNHBVKFBLNMJ-UHFFFAOYSA-N 0 0 451.386 3.248 50 0 JGAARN CCCN(C(=O)c1cc(Cl)nc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666227 556466690 /nfs/dbraw/zinc/46/66/90/556466690.db2.gz UZNMCJNPBXQXMG-UHFFFAOYSA-N 0 0 463.925 3.426 50 0 JGAARN COC(=O)c1ccc2c(c1)nc(COC(=O)c1ccc(OCc3c(C)noc3C)cc1)[nH]c2=O ZINC000032666653 556466999 /nfs/dbraw/zinc/46/69/99/556466999.db2.gz YPJIBSULQMKLKG-UHFFFAOYSA-N 0 0 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CCc1cc2oc(=O)cc(COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)c2cc1Cl ZINC000032736705 556477891 /nfs/dbraw/zinc/47/78/91/556477891.db2.gz KKLDKFFVKGHIRU-UHFFFAOYSA-N 0 0 454.866 3.418 50 0 JGAARN CCc1cc2oc(=O)cc(COC(=O)c3ccc(OC)c(S(=O)(=O)NC)c3)c2cc1Cl ZINC000032738759 556479275 /nfs/dbraw/zinc/47/92/75/556479275.db2.gz LVFDSEZTHRBNPS-UHFFFAOYSA-N 0 0 465.911 3.283 50 0 JGAARN CSc1nc(C)c(CCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c(C)n1 ZINC000032740836 556480455 /nfs/dbraw/zinc/48/04/55/556480455.db2.gz GVIRRKWDFGLHIG-UHFFFAOYSA-N 0 0 471.627 3.060 50 0 JGAARN CCOc1cc2c(cc1CNC(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)O[C@H](C)C2 ZINC000032741048 556480823 /nfs/dbraw/zinc/48/08/23/556480823.db2.gz KVUCGXMNQBQCFD-OAHLLOKOSA-N 0 0 494.560 3.404 50 0 JGAARN Cc1noc(C)c1COC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1 ZINC000032741715 556481482 /nfs/dbraw/zinc/48/14/82/556481482.db2.gz WNFOVAVYPOKZHI-IBGZPJMESA-N 0 0 470.551 3.461 50 0 JGAARN CCOc1ccccc1C(=O)N[C@@H](C(=O)OCC(=O)N[C@H]1CCOc2ccccc21)C(C)C ZINC000032745173 556482932 /nfs/dbraw/zinc/48/29/32/556482932.db2.gz ZVTKLHLTMVSINR-WMZHIEFXSA-N 0 0 454.523 3.023 50 0 JGAARN COc1ccc(CN(C(=O)COC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)C2CC2)cc1 ZINC000032745433 556483328 /nfs/dbraw/zinc/48/33/28/556483328.db2.gz JVXJADITZKUBDV-XMMPIXPASA-N 0 0 452.551 3.492 50 0 JGAARN CCOc1cc2c(cc1NC(=O)Cc1ccc(S(=O)(=O)N3CCCC3)s1)O[C@@H](C)C2 ZINC000032756040 556487100 /nfs/dbraw/zinc/48/71/00/556487100.db2.gz JKTKNJQPGNIWOY-AWEZNQCLSA-N 0 0 450.582 3.436 50 0 JGAARN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000032759141 556487512 /nfs/dbraw/zinc/48/75/12/556487512.db2.gz BQZPHONNANKSED-UHFFFAOYSA-N 0 0 467.572 3.421 50 0 JGAARN C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000032759050 556487590 /nfs/dbraw/zinc/48/75/90/556487590.db2.gz WVICTPWAUCESAK-OAHLLOKOSA-N 0 0 455.561 3.100 50 0 JGAARN O=S(=O)(c1ccc(F)cc1Cl)N1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000032759496 556487777 /nfs/dbraw/zinc/48/77/77/556487777.db2.gz MPXJBZVVVJYLCT-UHFFFAOYSA-N 0 0 485.361 3.357 50 0 JGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(Br)cc1Cl ZINC000032768131 556488797 /nfs/dbraw/zinc/48/87/97/556488797.db2.gz NIUNIBWYMCLHFD-CYBMUJFWSA-N 0 0 463.737 3.466 50 0 JGAARN C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4ccccc4CN3S(=O)(=O)c3ccc(F)cc3)cc2NC1=O ZINC000032772814 556490313 /nfs/dbraw/zinc/49/03/13/556490313.db2.gz MLPJYSGEHMMXRS-OYHNWAKOSA-N 0 0 495.532 3.299 50 0 JGAARN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2OC)C(C)C)c1 ZINC000032774452 556490787 /nfs/dbraw/zinc/49/07/87/556490787.db2.gz BBQBAPGZQLEOKJ-OPAMFIHVSA-N 0 0 472.538 3.346 50 0 JGAARN CCCCN1C(=O)C[C@@H](C(=O)OCc2cc(=O)n3nc(CC)sc3n2)[C@@H]1c1ccc(OC)cc1 ZINC000032776227 556491392 /nfs/dbraw/zinc/49/13/92/556491392.db2.gz DQYQMFHOHVYUKN-GCJKJVERSA-N 0 0 484.578 3.155 50 0 JGAARN CCOC(=O)c1c(C)c2ccccc2nc1COC(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 ZINC000032776301 556491579 /nfs/dbraw/zinc/49/15/79/556491579.db2.gz XFPRJUAEQUQHLZ-UHFFFAOYSA-N 0 0 471.535 3.190 50 0 JGAARN Cn1cc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1C(N)=O ZINC000032777869 556492654 /nfs/dbraw/zinc/49/26/54/556492654.db2.gz RFCKAHVZBOOCRJ-UHFFFAOYSA-N 0 0 462.531 3.111 50 0 JGAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1 ZINC000032796881 556495815 /nfs/dbraw/zinc/49/58/15/556495815.db2.gz UINVVQXBZKPJEO-UHFFFAOYSA-N 0 0 485.587 3.264 50 0 JGAARN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000032808745 556498364 /nfs/dbraw/zinc/49/83/64/556498364.db2.gz BKYHXSDVOBGKRR-HNNXBMFYSA-N 0 0 470.517 3.406 50 0 JGAARN CCOC(=O)c1sc2nc(CN(C)C)n(C[C@H](O)COc3c(C)cccc3C)c(=O)c2c1C ZINC000032809825 556499750 /nfs/dbraw/zinc/49/97/50/556499750.db2.gz WQYTVERFZOJTDN-KRWDZBQOSA-N 0 0 473.595 3.061 50 0 JGAARN CC(C)CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C2=O)cc1 ZINC000032814463 556502178 /nfs/dbraw/zinc/50/21/78/556502178.db2.gz FFVJYEGPZSCVKI-VWLOTQADSA-N 0 0 498.605 3.166 50 0 JGAARN 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COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)NC(C)C)CC2)n1 ZINC000035990405 569744223 /nfs/dbraw/zinc/74/42/23/569744223.db2.gz LIBHTFLIOGWYSB-UHFFFAOYSA-N 0 0 457.966 3.164 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991932 569744640 /nfs/dbraw/zinc/74/46/40/569744640.db2.gz HBBIFJIHWJKWII-HXOBKFHXSA-N 0 0 486.588 3.062 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035992047 569744783 /nfs/dbraw/zinc/74/47/83/569744783.db2.gz PYQJSSGCJOSGDH-CJFMBICVSA-N 0 0 490.604 3.355 50 0 JGAARN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000035992375 569744982 /nfs/dbraw/zinc/74/49/82/569744982.db2.gz NJCLYFDWGXOWBC-UHFFFAOYSA-N 0 0 490.589 3.212 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992841 569745174 /nfs/dbraw/zinc/74/51/74/569745174.db2.gz PYAQDAAPLQTVSQ-DVECYGJZSA-N 0 0 476.577 3.046 50 0 JGAARN 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COc1ccccc1N1C[C@@H](C)Cn2c3c(nc21)n(C)c(=O)n(C/C=C\c1ccccc1)c3=O ZINC000097568694 569745532 /nfs/dbraw/zinc/74/55/32/569745532.db2.gz ZEMPFNHWSDBXRK-ZVBPTUHVSA-N 0 0 457.534 3.407 50 0 JGAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000036001027 569745784 /nfs/dbraw/zinc/74/57/84/569745784.db2.gz DIBZOJGGTQSOJL-UHFFFAOYSA-N 0 0 469.563 3.238 50 0 JGAARN O=C(CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccc(Cl)c2)on1)NC[C@@H]1CCCO1 ZINC000036002545 569746315 /nfs/dbraw/zinc/74/63/15/569746315.db2.gz QUYOFRRHUWOSDI-OALUTQOASA-N 0 0 461.946 3.302 50 0 JGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5CCCCC5)CC4)c3CO2)cc1 ZINC000097943679 569746440 /nfs/dbraw/zinc/74/64/40/569746440.db2.gz ZNRJLQCKUJUBHY-QHCPKHFHSA-N 0 0 481.597 3.107 50 0 JGAARN COc1ccc(NC(=O)C2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943800 569746549 /nfs/dbraw/zinc/74/65/49/569746549.db2.gz XWAMEHZZDMCHRJ-HSZRJFAPSA-N 0 0 475.549 3.358 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5cc(F)ccc5F)CC4)c3CO2)cc1 ZINC000097943783 569746570 /nfs/dbraw/zinc/74/65/70/569746570.db2.gz JAJHLYXCCRLLDA-QHCPKHFHSA-N 0 0 495.530 3.305 50 0 JGAARN COc1ccc(NC(=O)C2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943799 569746572 /nfs/dbraw/zinc/74/65/72/569746572.db2.gz XWAMEHZZDMCHRJ-QHCPKHFHSA-N 0 0 475.549 3.358 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003301 569746658 /nfs/dbraw/zinc/74/66/58/569746658.db2.gz SNCVMKRVAMGKPX-GCJKJVERSA-N 0 0 485.629 3.023 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)Nc5ccc(F)cc5)CC4)c3CO2)cc1 ZINC000097943803 569746735 /nfs/dbraw/zinc/74/67/35/569746735.db2.gz DYGBAEDNPHKQBT-QFIPXVFZSA-N 0 0 463.513 3.488 50 0 JGAARN CCOCCCN([C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C)S(=O)(=O)c1ccccc1 ZINC000036004494 569746839 /nfs/dbraw/zinc/74/68/39/569746839.db2.gz KHMDHEXCWGXEPG-KRWDZBQOSA-N 0 0 450.557 3.107 50 0 JGAARN CCCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3C)NC(=O)N2CC)CC1 ZINC000036013952 569748786 /nfs/dbraw/zinc/74/87/86/569748786.db2.gz FQDWHIYVGTVWLS-QHCPKHFHSA-N 0 0 485.629 3.026 50 0 JGAARN COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCCc3ccccn3)no2)c1 ZINC000036014711 569748865 /nfs/dbraw/zinc/74/88/65/569748865.db2.gz VAHUPGLDKKGNCN-NRFANRHFSA-N 0 0 464.522 3.107 50 0 JGAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)C1CCC1 ZINC000036016506 569749274 /nfs/dbraw/zinc/74/92/74/569749274.db2.gz VDCQKAJPBHAEON-UHFFFAOYSA-N 0 0 457.619 3.294 50 0 JGAARN CN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000036016549 569749352 /nfs/dbraw/zinc/74/93/52/569749352.db2.gz JMJSMCURJHETAR-UHFFFAOYSA-N 0 0 469.561 3.167 50 0 JGAARN Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)cc1 ZINC000036016561 569749382 /nfs/dbraw/zinc/74/93/82/569749382.db2.gz UXMMBSPWNVYMBF-UHFFFAOYSA-N 0 0 465.598 3.336 50 0 JGAARN 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/nfs/dbraw/zinc/75/15/20/569751520.db2.gz LAAKDVSCDNNPEW-JOCHJYFZSA-N 0 0 459.612 3.431 50 0 JGAARN COCCn1c(CN(C[C@H]2CCCO2)C(=O)C2CCCC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030343 569751534 /nfs/dbraw/zinc/75/15/34/569751534.db2.gz HFXMDCCSZNRADH-HSZRJFAPSA-N 0 0 489.638 3.201 50 0 JGAARN COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030332 569751557 /nfs/dbraw/zinc/75/15/57/569751557.db2.gz QEHIISNUGHEHSP-XMMPIXPASA-N 0 0 497.617 3.325 50 0 JGAARN COCCn1c(CN(Cc2ccco2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030289 569751578 /nfs/dbraw/zinc/75/15/78/569751578.db2.gz OOUDHQMCVHUTPM-UHFFFAOYSA-N 0 0 457.552 3.035 50 0 JGAARN CCNC(=O)N(CCOC)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C ZINC000036031416 569751906 /nfs/dbraw/zinc/75/19/06/569751906.db2.gz NEUYXAPIQAQITL-UHFFFAOYSA-N 0 0 471.023 3.344 50 0 JGAARN CC(C)NC(=O)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C[C@@H]1CCCO1 ZINC000036031635 569751990 /nfs/dbraw/zinc/75/19/90/569751990.db2.gz BKIRXTUQUVBMHV-NRFANRHFSA-N 0 0 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/nfs/dbraw/zinc/17/93/88/195179388.db2.gz LDLGRFFKHQVCFH-IBGZPJMESA-N 0 0 450.320 3.403 50 0 JGAARN COc1ccc(CCNC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OC ZINC000012905453 195179535 /nfs/dbraw/zinc/17/95/35/195179535.db2.gz UZXRAIHKDVOJJM-UHFFFAOYSA-N 0 0 473.620 3.473 50 0 JGAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3ccnc(Cl)c3)C2=O)cc(OC)c1OC ZINC000012906415 195179917 /nfs/dbraw/zinc/17/99/17/195179917.db2.gz DDHSFRSWJCIGOL-YBEGLDIGSA-N 0 0 477.926 3.227 50 0 JGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ncn(Cc3ccccc3F)n2)c2c(C)nn(C)c2n1 ZINC000020606496 195181288 /nfs/dbraw/zinc/18/12/88/195181288.db2.gz PQZKZQWYHWUCMT-UHFFFAOYSA-N 0 0 473.516 3.325 50 0 JGAARN CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c(C(=O)NC2CCCCC2)n1 ZINC000020607506 195181415 /nfs/dbraw/zinc/18/14/15/195181415.db2.gz XJXCRMIGEAQUIK-UHFFFAOYSA-N 0 0 452.481 3.308 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O ZINC000020611023 195184766 /nfs/dbraw/zinc/18/47/66/195184766.db2.gz 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/nfs/dbraw/zinc/22/31/78/195223178.db2.gz YIDUXBLOBVFWDN-UHFFFAOYSA-N 0 0 465.487 3.479 50 0 JGAARN Cc1ccc(-c2csc3ncc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)c(=O)n23)cc1 ZINC000020768208 195223443 /nfs/dbraw/zinc/22/34/43/195223443.db2.gz NKJNYBDYCJPECA-UHFFFAOYSA-N 0 0 488.569 3.418 50 0 JGAARN O=C(CN1C(=O)c2ccccc2C1=O)OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000020894067 195238716 /nfs/dbraw/zinc/23/87/16/195238716.db2.gz SAUYQCZZEXZSDW-UHFFFAOYSA-N 0 0 474.494 3.029 50 0 JGAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3nc4ccc(C)cc4s3)cc2C[C@H]1C ZINC000020922444 195248301 /nfs/dbraw/zinc/24/83/01/195248301.db2.gz OSRMGMHYRNWSCO-CQSZACIVSA-N 0 0 472.592 3.161 50 0 JGAARN COc1ccccc1[C@H]1CN(CCNC(=O)CCn2c(=O)[nH]c3ccccc32)Cc2ccccc2O1 ZINC000020910502 195245881 /nfs/dbraw/zinc/24/58/81/195245881.db2.gz RWNWWVPBBXFURF-AREMUKBSSA-N 0 0 486.572 3.480 50 0 JGAARN O=C(Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1)c1ccccc1 ZINC000020914002 195246355 /nfs/dbraw/zinc/24/63/55/195246355.db2.gz 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CCCS(=O)(=O)N1CC(=O)N(c2ccc(Cl)cc2C)[C@](C)(C(=O)NC2CCCCC2)C1 ZINC000020928488 195249884 /nfs/dbraw/zinc/24/98/84/195249884.db2.gz MEGMPIJUDNDRQX-QFIPXVFZSA-N 0 0 470.035 3.244 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929080 195250353 /nfs/dbraw/zinc/25/03/53/195250353.db2.gz CBCZNJVVVYYNGY-SANMLTNESA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(C)c(C)c3)[C@@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929144 195250447 /nfs/dbraw/zinc/25/04/47/195250447.db2.gz KEYVVLQAVKWVGN-AREMUKBSSA-N 0 0 483.634 3.467 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccc(F)cc3C)[C@](C)(C(=O)NC3CCCC3)C2)cc1 ZINC000020929173 195250452 /nfs/dbraw/zinc/25/04/52/195250452.db2.gz VYBBGVSRRDIFKS-VWLOTQADSA-N 0 0 487.597 3.298 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CC(=O)N(c3ccccc3C)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000020929651 195250809 /nfs/dbraw/zinc/25/08/09/195250809.db2.gz RUCDYEQEOXPRBO-HHHXNRCGSA-N 0 0 491.613 3.416 50 0 JGAARN 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C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009054340 554873865 /nfs/dbraw/zinc/87/38/65/554873865.db2.gz ZFTSHEBHFCBOBC-CYBMUJFWSA-N 0 0 487.347 3.015 50 0 JGAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000009056133 554873978 /nfs/dbraw/zinc/87/39/78/554873978.db2.gz LOZZJPAVKALIEI-UHFFFAOYSA-N 0 0 480.586 3.315 50 0 JGAARN O=S(=O)(c1cccc(-c2nnc(SCc3nc(-c4cccs4)no3)o2)c1)N1CCOCC1 ZINC000009056146 554874049 /nfs/dbraw/zinc/87/40/49/554874049.db2.gz ODYJQIAQTAZNQX-UHFFFAOYSA-N 0 0 491.576 3.161 50 0 JGAARN Cc1cc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)n(-c2ccc(C)cc2)n1 ZINC000009056490 554875023 /nfs/dbraw/zinc/87/50/23/554875023.db2.gz ZZOXOOYTNSNGLS-UHFFFAOYSA-N 0 0 471.608 3.399 50 0 JGAARN COc1ccc(N2C(SCCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000009060647 554878814 /nfs/dbraw/zinc/87/88/14/554878814.db2.gz JUDFPNLSDLIKJS-MOPGFXCFSA-N 0 0 462.593 3.248 50 0 JGAARN Cc1c(C)n(-c2ccccn2)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 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Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1Cc1cccs1 ZINC000009790347 555509457 /nfs/dbraw/zinc/50/94/57/555509457.db2.gz USOBXXNJCOGXED-UHFFFAOYSA-N 0 0 459.593 3.044 50 0 JGAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009791159 555510152 /nfs/dbraw/zinc/51/01/52/555510152.db2.gz SFBHCGLHFMVMCB-HXUWFJFHSA-N 0 0 464.543 3.350 50 0 JGAARN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013571664 555510249 /nfs/dbraw/zinc/51/02/49/555510249.db2.gz OAGQBZCINKZMEE-JXFKEZNVSA-N 0 0 481.549 3.263 50 0 JGAARN O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000009792089 555510747 /nfs/dbraw/zinc/51/07/47/555510747.db2.gz BZILMUDLLIWMBS-OAHLLOKOSA-N 0 0 454.577 3.131 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000009792374 555511000 /nfs/dbraw/zinc/51/10/00/555511000.db2.gz SKYZXWDKZBYGLE-UHFFFAOYSA-N 0 0 486.638 3.093 50 0 JGAARN COc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1S(=O)(=O)N1CCCCC1 ZINC000009793098 555511338 /nfs/dbraw/zinc/51/13/38/555511338.db2.gz BMITXOWYRVWOGM-UHFFFAOYSA-N 0 0 498.605 3.225 50 0 JGAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000009794235 555512511 /nfs/dbraw/zinc/51/25/11/555512511.db2.gz PEEHQJQZSNPGBY-UHFFFAOYSA-N 0 0 468.604 3.383 50 0 JGAARN CCn1c(CN2CCCc3cc(C)ccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009798029 555514719 /nfs/dbraw/zinc/51/47/19/555514719.db2.gz KMFDTNKXSRSWJV-UHFFFAOYSA-N 0 0 454.596 3.338 50 0 JGAARN O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009798951 555515711 /nfs/dbraw/zinc/51/57/11/555515711.db2.gz VXUGKLHRMGTOSM-HXUWFJFHSA-N 0 0 451.479 3.084 50 0 JGAARN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000009806468 555518912 /nfs/dbraw/zinc/51/89/12/555518912.db2.gz PIAUZJKRQAVVDJ-NRFANRHFSA-N 0 0 457.596 3.137 50 0 JGAARN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000009806493 555519221 /nfs/dbraw/zinc/51/92/21/555519221.db2.gz WQBRILJCARUOSZ-HXUWFJFHSA-N 0 0 457.596 3.137 50 0 JGAARN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000009810057 555520181 /nfs/dbraw/zinc/52/01/81/555520181.db2.gz HXLCRWWBMFDKQF-SFHVURJKSA-N 0 0 478.578 3.037 50 0 JGAARN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000019861693 555520252 /nfs/dbraw/zinc/52/02/52/555520252.db2.gz MOFIHHRIGQKWJP-LOSJGSFVSA-N 0 0 484.556 3.218 50 0 JGAARN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 ZINC000019863156 555520810 /nfs/dbraw/zinc/52/08/10/555520810.db2.gz NFBXYYQZRHEMQF-INIZCTEOSA-N 0 0 468.934 3.446 50 0 JGAARN CCOc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000009817711 555522451 /nfs/dbraw/zinc/52/24/51/555522451.db2.gz HNBNNJWQIUCEPR-FQEVSTJZSA-N 0 0 459.568 3.076 50 0 JGAARN COc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000009820439 555523551 /nfs/dbraw/zinc/52/35/51/555523551.db2.gz XEYGMBYLTYWCOU-UHFFFAOYSA-N 0 0 488.587 3.051 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)CC2)cc1 ZINC000009821437 555523841 /nfs/dbraw/zinc/52/38/41/555523841.db2.gz ZPQVHQHBSLIUOK-OAQYLSRUSA-N 0 0 484.647 3.275 50 0 JGAARN CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000013591758 555526070 /nfs/dbraw/zinc/52/60/70/555526070.db2.gz JHKWQEOZHQTDID-HXOBKFHXSA-N 0 0 479.581 3.357 50 0 JGAARN C[C@H]1c2cc3c(cc2CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)OCCCO3 ZINC000013591598 555526167 /nfs/dbraw/zinc/52/61/67/555526167.db2.gz UPSVRHXPJZODJX-SFHVURJKSA-N 0 0 485.606 3.190 50 0 JGAARN COc1ccc(CCn2c(C)cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1OC ZINC000009829452 555527982 /nfs/dbraw/zinc/52/79/82/555527982.db2.gz UNVMULUVSSJWEF-UHFFFAOYSA-N 0 0 487.560 3.074 50 0 JGAARN Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1Cc1ccco1 ZINC000009829526 555528214 /nfs/dbraw/zinc/52/82/14/555528214.db2.gz 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50 0 JGAARN O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2cccnc21)Nc1ccc(Br)cc1 ZINC000009830997 555532180 /nfs/dbraw/zinc/53/21/80/555532180.db2.gz ZGIKSHITFFRABC-UHFFFAOYSA-N 0 0 457.328 3.465 50 0 JGAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 ZINC000013619079 555537582 /nfs/dbraw/zinc/53/75/82/555537582.db2.gz VYRVHRLKSZZPGH-OAHLLOKOSA-N 0 0 462.593 3.195 50 0 JGAARN Cc1ccc2[nH]c(SCC(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc2c1 ZINC000009834333 555537943 /nfs/dbraw/zinc/53/79/43/555537943.db2.gz UKMCJSCCDYHWDR-UHFFFAOYSA-N 0 0 471.542 3.490 50 0 JGAARN COc1cccc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)c1 ZINC000013624867 555538730 /nfs/dbraw/zinc/53/87/30/555538730.db2.gz GXPFFHPYEVQDBZ-VGSWGCGISA-N 0 0 491.585 3.015 50 0 JGAARN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1)c1ccccc1 ZINC000013624783 555538736 /nfs/dbraw/zinc/53/87/36/555538736.db2.gz DUQYRQKDPWZWFW-UYAOXDASSA-N 0 0 455.580 3.092 50 0 JGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1ncc(C)s1 ZINC000013627668 555539940 /nfs/dbraw/zinc/53/99/40/555539940.db2.gz RKWSVLKZIDOSCJ-GMBSWORKSA-N 0 0 496.630 3.161 50 0 JGAARN O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009835948 555541069 /nfs/dbraw/zinc/54/10/69/555541069.db2.gz SLHNUJZSTVZFGA-UHFFFAOYSA-N 0 0 496.564 3.023 50 0 JGAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc5c(c4)OCO5)c3C2=O)CC1 ZINC000009838855 555543317 /nfs/dbraw/zinc/54/33/17/555543317.db2.gz DLWQVYICGCOAHS-UHFFFAOYSA-N 0 0 451.479 3.244 50 0 JGAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)cc1 ZINC000013634546 555543853 /nfs/dbraw/zinc/54/38/53/555543853.db2.gz KEQSXCLZRXVTOT-UHFFFAOYSA-N 0 0 467.879 3.439 50 0 JGAARN CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009844812 555544950 /nfs/dbraw/zinc/54/49/50/555544950.db2.gz NYVGNXDMTUIEIV-UHFFFAOYSA-N 0 0 467.469 3.306 50 0 JGAARN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009845902 555545353 /nfs/dbraw/zinc/54/53/53/555545353.db2.gz RPRSLEUDYZBETD-UHFFFAOYSA-N 0 0 459.587 3.498 50 0 JGAARN Nc1nc(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)nc(Nc2ccccc2)n1 ZINC000009847372 555548585 /nfs/dbraw/zinc/54/85/85/555548585.db2.gz FWXMBOBZQUWGAF-UHFFFAOYSA-N 0 0 479.545 3.046 50 0 JGAARN Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2C(=O)c1cc2nccc(-c3c(C)nn(C)c3C)n2n1 ZINC000013644872 555550160 /nfs/dbraw/zinc/55/01/60/555550160.db2.gz ZOCBMLQBUQALED-PXAZEXFGSA-N 0 0 454.485 3.497 50 0 JGAARN CCOc1ccc(CCNC(=O)C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OCC ZINC000009848437 555550573 /nfs/dbraw/zinc/55/05/73/555550573.db2.gz QKPCZKURMKWFAZ-UHFFFAOYSA-N 0 0 476.570 3.303 50 0 JGAARN CC[C@@]1(CCC(C)C)C(=O)NC(=O)N(C(=O)c2ccccc2I)C1=O ZINC000013647063 555551342 /nfs/dbraw/zinc/55/13/42/555551342.db2.gz RZDUNQTUVGLVHG-GOSISDBHSA-N 0 0 456.280 3.342 50 0 JGAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000009851541 555554566 /nfs/dbraw/zinc/55/45/66/555554566.db2.gz 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JGAARN Cn1c(CCNC(=O)c2cccc(-c3ccc(F)cc3)c2)nnc1SCCN1CCOCC1 ZINC000019957081 555571997 /nfs/dbraw/zinc/57/19/97/555571997.db2.gz NMYKQTXTNWSPQS-UHFFFAOYSA-N 0 0 469.586 3.018 50 0 JGAARN COc1cc2c(cc1NC(=O)COC(=O)Cn1cnc3ccccc3c1=O)oc1ccccc12 ZINC000009980497 555581443 /nfs/dbraw/zinc/58/14/43/555581443.db2.gz SMXFUTNSYVQDCA-UHFFFAOYSA-N 0 0 457.442 3.486 50 0 JGAARN CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1Cl ZINC000009983580 555583073 /nfs/dbraw/zinc/58/30/73/555583073.db2.gz XNPZCDINMPPTQG-LBPRGKRZSA-N 0 0 466.943 3.441 50 0 JGAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN([C@@H]2CCS(=O)(=O)C2)CO4)cc1OC ZINC000013689630 555583184 /nfs/dbraw/zinc/58/31/84/555583184.db2.gz RBKXZEPZVIRDPQ-MRXNPFEDSA-N 0 0 471.531 3.125 50 0 biogenic JGAARN CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 ZINC000009984174 555583651 /nfs/dbraw/zinc/58/36/51/555583651.db2.gz OOAWHWXLKWZNJV-UHFFFAOYSA-N 0 0 475.611 3.134 50 0 JGAARN 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ZINC000009996026 555589253 /nfs/dbraw/zinc/58/92/53/555589253.db2.gz KWSJFZJWYKAJFJ-KRWDZBQOSA-N 0 0 475.476 3.476 50 0 JGAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN([C@@H]3CCS(=O)(=O)C3)CO4)c2=O)cc1OC ZINC000013718925 555594975 /nfs/dbraw/zinc/59/49/75/555594975.db2.gz HVARYKOZWPSURS-MRXNPFEDSA-N 0 0 471.531 3.125 50 0 biogenic JGAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NC1CCCCC1 ZINC000010021459 555596455 /nfs/dbraw/zinc/59/64/55/555596455.db2.gz SXHHQKJRADDETB-HNNXBMFYSA-N 0 0 479.578 3.454 50 0 JGAARN CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(Cl)cc1)c(=O)n2Cc1ccccc1 ZINC000010021780 555597075 /nfs/dbraw/zinc/59/70/75/555597075.db2.gz FMEMPWMNFHUQAO-UHFFFAOYSA-N 0 0 479.968 3.034 50 0 JGAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC000010021899 555597434 /nfs/dbraw/zinc/59/74/34/555597434.db2.gz LOZHBFUIIURLQC-OALUTQOASA-N 0 0 459.587 3.455 50 0 JGAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000010022938 555598684 /nfs/dbraw/zinc/59/86/84/555598684.db2.gz INOOGDHLHRZCBI-HXUWFJFHSA-N 0 0 495.992 3.038 50 0 JGAARN COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 ZINC000010024937 555598939 /nfs/dbraw/zinc/59/89/39/555598939.db2.gz KFRUTCYGLBGLEI-IBGZPJMESA-N 0 0 472.563 3.228 50 0 JGAARN CCn1c(N)c(-c2csc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccco3)n2)c(=O)[nH]c1=O ZINC000010025196 555599279 /nfs/dbraw/zinc/59/92/79/555599279.db2.gz RVJGMWGORXZLAO-QGZVFWFLSA-N 0 0 478.534 3.220 50 0 JGAARN O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000010026848 555599618 /nfs/dbraw/zinc/59/96/18/555599618.db2.gz IQHFATDPQGFHNC-IBGZPJMESA-N 0 0 475.640 3.116 50 0 JGAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000010028622 555600513 /nfs/dbraw/zinc/60/05/13/555600513.db2.gz CIGFMLYRZOKJDA-SFTDATJTSA-N 0 0 455.628 3.294 50 0 JGAARN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000010028625 555600543 /nfs/dbraw/zinc/60/05/43/555600543.db2.gz CIGFMLYRZOKJDA-RTWAWAEBSA-N 0 0 455.628 3.294 50 0 JGAARN Cn1c(CCNC(=O)c2ccc(Cl)nc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000013726657 555601018 /nfs/dbraw/zinc/60/10/18/555601018.db2.gz RXELVZYMXQZMTK-UHFFFAOYSA-N 0 0 469.954 3.395 50 0 JGAARN Cc1cccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000010032329 555601700 /nfs/dbraw/zinc/60/17/00/555601700.db2.gz ZCSBZPLNZXQUAU-UHFFFAOYSA-N 0 0 458.561 3.339 50 0 JGAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(F)c1 ZINC000010034891 555601967 /nfs/dbraw/zinc/60/19/67/555601967.db2.gz OJXPDURPFDSOFI-UHFFFAOYSA-N 0 0 469.538 3.203 50 0 JGAARN CC(C)(C)OC(=O)C(I)(C(=O)OC(C)(C)C)c1ccc(Cl)nn1 ZINC000010034946 555602268 /nfs/dbraw/zinc/60/22/68/555602268.db2.gz USPMTSCPZGFDPX-UHFFFAOYSA-N 0 0 454.692 3.444 50 0 JGAARN Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000010050408 555607460 /nfs/dbraw/zinc/60/74/60/555607460.db2.gz YWRJZVHVELOREU-UHFFFAOYSA-N 0 0 492.951 3.175 50 0 JGAARN O=C(c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000010050397 555607466 /nfs/dbraw/zinc/60/74/66/555607466.db2.gz SKKTXVPERNFVCU-QHCPKHFHSA-N 0 0 494.544 3.427 50 0 JGAARN COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1OC ZINC000013748958 555608020 /nfs/dbraw/zinc/60/80/20/555608020.db2.gz SROFKAZYTBFRPA-UHFFFAOYSA-N 0 0 452.496 3.124 50 0 JGAARN COc1cc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2N)cc(OC)c1OC ZINC000013749035 555608167 /nfs/dbraw/zinc/60/81/67/555608167.db2.gz KMEWMQJSDLBOQZ-UHFFFAOYSA-N 0 0 463.947 3.377 50 0 JGAARN O=C(C[C@]1(O)c2ccccc2N(Cc2ccc3c(c2)OCO3)C1=O)c1ccc2c(c1)OCCO2 ZINC000010059165 555609038 /nfs/dbraw/zinc/60/90/38/555609038.db2.gz ICTWWGOFRSUOFB-SANMLTNESA-N 0 0 459.454 3.194 50 0 JGAARN O=C(CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000013758748 555611892 /nfs/dbraw/zinc/61/18/92/555611892.db2.gz LSQJKWYXLHVYPH-UHFFFAOYSA-N 0 0 461.897 3.273 50 0 JGAARN COc1ccc(CCN2C(=O)c3cccc4c(C(=O)N5CCOCC5)ccc(c43)C2=O)cc1OC ZINC000013765700 555613129 /nfs/dbraw/zinc/61/31/29/555613129.db2.gz ZPMURZZTHGUBLR-UHFFFAOYSA-N 0 0 474.513 3.168 50 0 JGAARN C[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000013768595 555613451 /nfs/dbraw/zinc/61/34/51/555613451.db2.gz YYSQXSAOQGTZRQ-ZFWWWQNUSA-N 0 0 497.038 3.461 50 0 JGAARN Cc1csc2nc(COC(=O)CCNS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc(=O)n12 ZINC000010071053 555614656 /nfs/dbraw/zinc/61/46/56/555614656.db2.gz DYOMJZWVLMVBDF-UHFFFAOYSA-N 0 0 477.608 3.018 50 0 JGAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000010084889 555617083 /nfs/dbraw/zinc/61/70/83/555617083.db2.gz BPKXCEQUKOODLR-UHFFFAOYSA-N 0 0 479.480 3.225 50 0 JGAARN O=C(CSc1nnc(NCc2ccccc2)s1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000010092605 555617332 /nfs/dbraw/zinc/61/73/32/555617332.db2.gz BIQVZZJUQDLYRC-INIZCTEOSA-N 0 0 478.621 3.051 50 0 JGAARN CCC[C@H](NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 ZINC000010094656 555617637 /nfs/dbraw/zinc/61/76/37/555617637.db2.gz IOZLTCBWHVXUQF-XLIONFOSSA-N 0 0 463.625 3.241 50 0 JGAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N(Cc1ccco1)Cc1ccccc1 ZINC000010094714 555617704 /nfs/dbraw/zinc/61/77/04/555617704.db2.gz OWLGMEIIHXDFNB-UHFFFAOYSA-N 0 0 487.603 3.017 50 0 JGAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NC[C@H]4CCCO4)cc3)ccc12 ZINC000013778817 555617745 /nfs/dbraw/zinc/61/77/45/555617745.db2.gz KSXZGOHRIBKODH-HXUWFJFHSA-N 0 0 451.475 3.132 50 0 JGAARN CCOc1ccc(N2CCCCn3c4c(nc32)n(C)c(=O)n(CCc2ccccc2)c4=O)cc1 ZINC000010102065 555617964 /nfs/dbraw/zinc/61/79/64/555617964.db2.gz IYKCNOVTKFJSKR-UHFFFAOYSA-N 0 0 459.550 3.470 50 0 JGAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CC(=O)c2ccccc2)c4=O)cc1C ZINC000010105066 555618477 /nfs/dbraw/zinc/61/84/77/555618477.db2.gz APYIMHZSGVAFAG-MRXNPFEDSA-N 0 0 457.534 3.184 50 0 JGAARN Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)s2)cs1 ZINC000010105401 555618494 /nfs/dbraw/zinc/61/84/94/555618494.db2.gz YTLJDRTWKLGCKC-UHFFFAOYSA-N 0 0 454.577 3.353 50 0 JGAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccccc2OCCC)c3=O)cc1 ZINC000013805544 555623196 /nfs/dbraw/zinc/62/31/96/555623196.db2.gz SMUIPMGPLZSVHJ-JWGURIENSA-N 0 0 463.559 3.227 50 0 JGAARN CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cccc(Br)c4)sc3nc2=O)cc1 ZINC000013811298 555627853 /nfs/dbraw/zinc/62/78/53/555627853.db2.gz QGKAFTMMLNOFDY-UYRXBGFRSA-N 0 0 484.375 3.201 50 0 JGAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000020096098 555632298 /nfs/dbraw/zinc/63/22/98/555632298.db2.gz YGEXIZWGUQSGSC-XMMPIXPASA-N 0 0 492.645 3.312 50 0 JGAARN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)s1 ZINC000013844213 555633002 /nfs/dbraw/zinc/63/30/02/555633002.db2.gz PLLRLXLWMDBHHI-FQEVSTJZSA-N 0 0 474.633 3.479 50 0 JGAARN Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000013847257 555633922 /nfs/dbraw/zinc/63/39/22/555633922.db2.gz FOGFFSBWNSHFGD-UHFFFAOYSA-N 0 0 493.651 3.355 50 0 JGAARN CCOc1ccccc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000013847175 555633950 /nfs/dbraw/zinc/63/39/50/555633950.db2.gz RMEIWRAOCBMMOK-UHFFFAOYSA-N 0 0 465.531 3.266 50 0 JGAARN COc1ccc([C@@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1OC ZINC000020101743 555634113 /nfs/dbraw/zinc/63/41/13/555634113.db2.gz LBSIUBVGQHKSHL-HSZRJFAPSA-N 0 0 455.522 3.192 50 0 JGAARN COc1cc([C@@H]2CC(=O)c3c(C)nc(N4CCN(c5ccccn5)CC4)nc3C2)cc(OC)c1OC ZINC000020102243 555634552 /nfs/dbraw/zinc/63/45/52/555634552.db2.gz YJQFQWIWYMDUNX-SFHVURJKSA-N 0 0 489.576 3.445 50 0 JGAARN Cc1cccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 ZINC000020103463 555635527 /nfs/dbraw/zinc/63/55/27/555635527.db2.gz ZCMITVPRNOMWLP-UHFFFAOYSA-N 0 0 466.401 3.093 50 0 JGAARN COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CCOCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000020104374 555636466 /nfs/dbraw/zinc/63/64/66/555636466.db2.gz UPTSSXWPAKXHFJ-AHWVRZQESA-N 0 0 481.593 3.027 50 0 JGAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1ccc2c(c1)OCO2 ZINC000010186720 555640102 /nfs/dbraw/zinc/64/01/02/555640102.db2.gz 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CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000022357505 555924924 /nfs/dbraw/zinc/92/49/24/555924924.db2.gz PWYIVJQHZLPYTH-OAHLLOKOSA-N 0 0 473.555 3.129 50 0 JGAARN COc1ccc(-c2cnnc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(OC)c(O)c(OC)c3)n2)cc1 ZINC000015670223 555925459 /nfs/dbraw/zinc/92/54/59/555925459.db2.gz DRSDVFHXAOECFN-KRWDZBQOSA-N 0 0 488.504 3.238 50 0 JGAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000022358756 555925734 /nfs/dbraw/zinc/92/57/34/555925734.db2.gz LCGICLRXPXUFGK-MRXNPFEDSA-N 0 0 466.563 3.353 50 0 JGAARN Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000015670421 555925943 /nfs/dbraw/zinc/92/59/43/555925943.db2.gz GAPXAGUVAQYRBI-GOSISDBHSA-N 0 0 489.923 3.024 50 0 JGAARN O=C(COC(=O)c1csc(NCc2ccccc2)n1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000022375011 555927514 /nfs/dbraw/zinc/92/75/14/555927514.db2.gz COHMTIHWZGTKFS-IBGZPJMESA-N 0 0 483.571 3.256 50 0 JGAARN 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CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3Cl)CC2)(c2ccccc2C)C1=O ZINC000012163368 555931912 /nfs/dbraw/zinc/93/19/12/555931912.db2.gz XCECUUPPMNLTIS-VWLOTQADSA-N 0 0 453.970 3.404 50 0 JGAARN Cn1nc(C(=O)N2CCC[C@@H]3CN(C(=O)CCc4ccccc4)CC[C@H]32)c2ccccc2c1=O ZINC000012165126 555932498 /nfs/dbraw/zinc/93/24/98/555932498.db2.gz BTJIBCZSSZKIMD-NFBKMPQASA-N 0 0 458.562 3.019 50 0 JGAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCC[C@H]1c1nccs1 ZINC000012190787 555937700 /nfs/dbraw/zinc/93/77/00/555937700.db2.gz IXWLSAKBUFNMIH-CPJSRVTESA-N 0 0 460.559 3.489 50 0 JGAARN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCC[C@@H]1c1nccs1 ZINC000012190785 555937876 /nfs/dbraw/zinc/93/78/76/555937876.db2.gz IXWLSAKBUFNMIH-NLFFAJNJSA-N 0 0 460.559 3.489 50 0 JGAARN O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000012194712 555940972 /nfs/dbraw/zinc/94/09/72/555940972.db2.gz HGUKCTAAOZCECR-UHFFFAOYSA-N 0 0 451.951 3.372 50 0 JGAARN COc1ccc(CCNC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1OC 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/nfs/dbraw/zinc/08/64/05/556086405.db2.gz DUTCCJOFKNTXKM-UHFFFAOYSA-N 0 0 491.660 3.358 50 0 JGAARN O=C(COC(=O)c1cccnc1SCC(=O)NCCc1ccccc1)NCCc1ccccc1 ZINC000012591045 556087000 /nfs/dbraw/zinc/08/70/00/556087000.db2.gz LQUXAUYPDZSMHB-UHFFFAOYSA-N 0 0 477.586 3.048 50 0 JGAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000012591408 556087273 /nfs/dbraw/zinc/08/72/73/556087273.db2.gz XFUGZNCORDDCRA-OALUTQOASA-N 0 0 470.591 3.380 50 0 JGAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000015954328 556087814 /nfs/dbraw/zinc/08/78/14/556087814.db2.gz IHPFWMUKTHBQSH-HRFSGMKKSA-N 0 0 484.593 3.093 50 0 biogenic JGAARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012592469 556087955 /nfs/dbraw/zinc/08/79/55/556087955.db2.gz QMDSAXUEDKUWJK-DEOSSOPVSA-N 0 0 454.530 3.189 50 0 JGAARN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1ccccn1 ZINC000012592832 556088173 /nfs/dbraw/zinc/08/81/73/556088173.db2.gz 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50 0 JGAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000023864905 556093532 /nfs/dbraw/zinc/09/35/32/556093532.db2.gz YIVJJOZATORVJW-NRFANRHFSA-N 0 0 496.308 3.476 50 0 JGAARN CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000023865964 556094418 /nfs/dbraw/zinc/09/44/18/556094418.db2.gz KQCNFBVZCGLLFU-UHFFFAOYSA-N 0 0 498.070 3.349 50 0 JGAARN O=C(Cc1csc(-c2ccccc2)n1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015969568 556095718 /nfs/dbraw/zinc/09/57/18/556095718.db2.gz VKHLQLWOPGHDIG-UHFFFAOYSA-N 0 0 458.561 3.117 50 0 JGAARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000023872965 556095860 /nfs/dbraw/zinc/09/58/60/556095860.db2.gz SJUWSKJGEYFXJE-XMMPIXPASA-N 0 0 471.623 3.055 50 0 JGAARN COc1cccc(NC(=O)[C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000015974923 556097852 /nfs/dbraw/zinc/09/78/52/556097852.db2.gz IIRKAWHGDVQVGC-HSZRJFAPSA-N 0 0 485.606 3.034 50 0 JGAARN O=C(Nc1ccccc1)c1ccc(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000023882466 556098524 /nfs/dbraw/zinc/09/85/24/556098524.db2.gz GCNDKHMYFWMDOX-RUZDIDTESA-N 0 0 457.530 3.423 50 0 JGAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 ZINC000015981411 556099911 /nfs/dbraw/zinc/09/99/11/556099911.db2.gz INDLGBAAORKQJO-UHFFFAOYSA-N 0 0 485.031 3.281 50 0 JGAARN COc1ccc(-n2ccnc2SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023908439 556099991 /nfs/dbraw/zinc/09/99/91/556099991.db2.gz SPWRUEZAJJIXKU-UHFFFAOYSA-N 0 0 466.563 3.046 50 0 JGAARN O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023908781 556100430 /nfs/dbraw/zinc/10/04/30/556100430.db2.gz KGOZLNZIGMOIOA-UHFFFAOYSA-N 0 0 476.968 3.039 50 0 JGAARN C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000023921946 556101405 /nfs/dbraw/zinc/10/14/05/556101405.db2.gz KIAZDUWVTZDUFN-INIZCTEOSA-N 0 0 470.620 3.256 50 0 JGAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000023935472 556101962 /nfs/dbraw/zinc/10/19/62/556101962.db2.gz MVGRCGJFDLNNMW-FQEVSTJZSA-N 0 0 469.582 3.238 50 0 JGAARN COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccccc4Br)C3=O)n2)cc1 ZINC000023936189 556102381 /nfs/dbraw/zinc/10/23/81/556102381.db2.gz XBVMPCKACRXYQT-HXUWFJFHSA-N 0 0 457.284 3.475 50 0 JGAARN NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000015990439 556102585 /nfs/dbraw/zinc/10/25/85/556102585.db2.gz PIEPGMMLRFZAKU-MLHJIOFPSA-N 0 0 461.827 3.360 50 0 JGAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000023955751 556103925 /nfs/dbraw/zinc/10/39/25/556103925.db2.gz BBDVFUOXCMHTFU-HSZRJFAPSA-N 0 0 467.551 3.394 50 0 JGAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000023955867 556104337 /nfs/dbraw/zinc/10/43/37/556104337.db2.gz LFTKSKQSSWYAOD-VWLOTQADSA-N 0 0 478.574 3.478 50 0 JGAARN O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023956034 556104654 /nfs/dbraw/zinc/10/46/54/556104654.db2.gz ZHCDZMFBDYVPFI-XMMPIXPASA-N 0 0 493.629 3.255 50 0 JGAARN O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023956343 556105228 /nfs/dbraw/zinc/10/52/28/556105228.db2.gz XSTPNAFLBYTZRI-UHFFFAOYSA-N 0 0 470.620 3.039 50 0 JGAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000016000543 556105291 /nfs/dbraw/zinc/10/52/91/556105291.db2.gz CKAWNPBNFHFCGF-UHFFFAOYSA-N 0 0 477.542 3.132 50 0 JGAARN C[C@@H](NC(=O)CSc1nnc(CN2CCCC2=O)n1-c1ccccn1)c1cccc(Cl)c1 ZINC000012738614 556106719 /nfs/dbraw/zinc/10/67/19/556106719.db2.gz BTGNSJNGWCRIDI-OAHLLOKOSA-N 0 0 470.986 3.408 50 0 JGAARN COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccccc4Br)C3=O)n2)c(OC)c1 ZINC000023967722 556107326 /nfs/dbraw/zinc/10/73/26/556107326.db2.gz SQDAWNFHPTVOPS-NRFANRHFSA-N 0 0 487.310 3.484 50 0 JGAARN CCn1c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000023968274 556108657 /nfs/dbraw/zinc/10/86/57/556108657.db2.gz WNCABVBQFLIJAI-UHFFFAOYSA-N 0 0 494.621 3.099 50 0 JGAARN CN(CC(=O)N1CCN(Cc2ccccc2)CC1)c1nc(-c2cccnc2)nc2ccccc21 ZINC000023982494 556110037 /nfs/dbraw/zinc/11/00/37/556110037.db2.gz VALDLVSBGAAWST-UHFFFAOYSA-N 0 0 452.562 3.472 50 0 JGAARN O=c1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000023982610 556110054 /nfs/dbraw/zinc/11/00/54/556110054.db2.gz SEBMAFDVRMNFPY-UHFFFAOYSA-N 0 0 490.607 3.359 50 0 JGAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)o1 ZINC000023983339 556111136 /nfs/dbraw/zinc/11/11/36/556111136.db2.gz VZCHQFNVEGHHLG-UHFFFAOYSA-N 0 0 465.535 3.207 50 0 JGAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)o1 ZINC000023983325 556111166 /nfs/dbraw/zinc/11/11/66/556111166.db2.gz YNWCJSVKCBJTQD-NRFANRHFSA-N 0 0 487.516 3.184 50 0 JGAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(C)cn32)CC1 ZINC000023983691 556111768 /nfs/dbraw/zinc/11/17/68/556111768.db2.gz MLKINJOWHHFUIH-UHFFFAOYSA-N 0 0 465.579 3.421 50 0 JGAARN Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000016019765 556113082 /nfs/dbraw/zinc/11/30/82/556113082.db2.gz YILQCXVAQQBNAY-UHFFFAOYSA-N 0 0 468.579 3.301 50 0 JGAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000023989416 556113075 /nfs/dbraw/zinc/11/30/75/556113075.db2.gz JTRJDCHLUXLBJZ-UHFFFAOYSA-N 0 0 496.614 3.341 50 0 JGAARN Cc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 ZINC000016021791 556113995 /nfs/dbraw/zinc/11/39/95/556113995.db2.gz WSVDBLFVZVOEDS-XMSQKQJNSA-N 0 0 451.567 3.478 50 0 JGAARN CCCN(Cc1nnc(-c2ccco2)o1)CC1=C(C(=O)OCC)[C@H](c2cccs2)NC(=O)N1 ZINC000023990004 556114015 /nfs/dbraw/zinc/11/40/15/556114015.db2.gz YDXLNEDYPIOAGM-IBGZPJMESA-N 0 0 471.539 3.474 50 0 JGAARN C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 ZINC000012807193 556114931 /nfs/dbraw/zinc/11/49/31/556114931.db2.gz ADAHYFAXJWCJBE-ZACQAIPSSA-N 0 0 486.663 3.499 50 0 JGAARN O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012819783 556115528 /nfs/dbraw/zinc/11/55/28/556115528.db2.gz AVQRYIMZNUEEGT-UHFFFAOYSA-N 0 0 494.642 3.462 50 0 JGAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000024020727 556116290 /nfs/dbraw/zinc/11/62/90/556116290.db2.gz DOJBFAOZMDNSKP-UHFFFAOYSA-N 0 0 455.536 3.118 50 0 JGAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016026204 556116386 /nfs/dbraw/zinc/11/63/86/556116386.db2.gz BNLQCZWZYJPTFF-UHFFFAOYSA-N 0 0 491.613 3.405 50 0 JGAARN COc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]34)C2O)cc1 ZINC000016034855 556118673 /nfs/dbraw/zinc/11/86/73/556118673.db2.gz FEZVIOIHIITMDI-KEZOAJOQSA-N 0 0 451.482 3.457 50 0 JGAARN O=C(C1=C2C(O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2C=CC=NN12)c1ccccc1 ZINC000016038448 556120561 /nfs/dbraw/zinc/12/05/61/556120561.db2.gz ITBSKDMURDQPGG-YDZRNGNQSA-N 0 0 450.292 3.046 50 0 JGAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cs1 ZINC000012879415 556123070 /nfs/dbraw/zinc/12/30/70/556123070.db2.gz HFPLFCIPSXJDLU-ROUUACIJSA-N 0 0 483.546 3.221 50 0 JGAARN O=C(OCc1cc(Cl)c2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000024137622 556123093 /nfs/dbraw/zinc/12/30/93/556123093.db2.gz INYDGMVEIYOIAY-UHFFFAOYSA-N 0 0 487.361 3.304 50 0 JGAARN CCOc1ccc(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccccc2Cl)cc1OCC ZINC000016044244 556123999 /nfs/dbraw/zinc/12/39/99/556123999.db2.gz PUDTUAOGSHYPKF-UHFFFAOYSA-N 0 0 482.986 3.398 50 0 JGAARN Cn1c(SCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)nnc1-c1ccc(F)cc1 ZINC000016044541 556124605 /nfs/dbraw/zinc/12/46/05/556124605.db2.gz SQBXDCAVVJFHBQ-SFHVURJKSA-N 0 0 466.604 3.062 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000016044832 556125440 /nfs/dbraw/zinc/12/54/40/556125440.db2.gz GCZNCVZIXLPKAX-UHFFFAOYSA-N 0 0 473.580 3.345 50 0 JGAARN COc1cc(NC(=O)[C@@H](NC(=O)N2CCc3cc(OC)c(OC)cc3C2)C(C)C)cc(OC)c1 ZINC000012896037 556125648 /nfs/dbraw/zinc/12/56/48/556125648.db2.gz UYGFNGXPAPLIQT-QHCPKHFHSA-N 0 0 471.554 3.452 50 0 biogenic JGAARN COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000024192991 556126095 /nfs/dbraw/zinc/12/60/95/556126095.db2.gz PYGLCZBRZIGIOX-XMMPIXPASA-N 0 0 478.545 3.392 50 0 JGAARN O=C(c1cccc(I)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000024259211 556127888 /nfs/dbraw/zinc/12/78/88/556127888.db2.gz KVTXXDHTTXYJBI-UHFFFAOYSA-N 0 0 480.331 3.361 50 0 JGAARN O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N[C@@H](c1cccs1)c1ccccc1 ZINC000012909596 556128592 /nfs/dbraw/zinc/12/85/92/556128592.db2.gz ZKJWVQDBXWAMIW-IFXJQAMLSA-N 0 0 463.606 3.106 50 0 JGAARN NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000024317005 556129239 /nfs/dbraw/zinc/12/92/39/556129239.db2.gz LQZKLKSFROTHDW-UHFFFAOYSA-N 0 0 488.407 3.208 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c(C)c1 ZINC000012910959 556129813 /nfs/dbraw/zinc/12/98/13/556129813.db2.gz QPBLJGKQOLPPIA-UHFFFAOYSA-N 0 0 453.564 3.424 50 0 JGAARN Cc1cc(I)ccc1NC(=O)COc1ccccc1C(=O)N1CCOCC1 ZINC000024438629 556131138 /nfs/dbraw/zinc/13/11/38/556131138.db2.gz UXECTOIZPKDHAK-UHFFFAOYSA-N 0 0 480.302 3.090 50 0 JGAARN Cc1ccc(C(=O)C2CCN(C(=O)c3sccc3S(=O)(=O)N3CCOCC3)CC2)c(C)c1 ZINC000024455284 556131499 /nfs/dbraw/zinc/13/14/99/556131499.db2.gz IXANVJSKBKZANN-UHFFFAOYSA-N 0 0 476.620 3.121 50 0 JGAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000012912818 556131834 /nfs/dbraw/zinc/13/18/34/556131834.db2.gz ZOEHJDKPDFUCFO-RBUKOAKNSA-N 0 0 485.606 3.213 50 0 JGAARN CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000024504924 556132760 /nfs/dbraw/zinc/13/27/60/556132760.db2.gz JNYJOELHHHYBMY-OAHLLOKOSA-N 0 0 462.959 3.419 50 0 JGAARN COC(=O)c1cnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)s1 ZINC000012914132 556132933 /nfs/dbraw/zinc/13/29/33/556132933.db2.gz JVCFSDCYWHIWSW-DEOSSOPVSA-N 0 0 476.514 3.048 50 0 JGAARN O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000012914530 556133633 /nfs/dbraw/zinc/13/36/33/556133633.db2.gz IOLWTDIILDTHMX-UHFFFAOYSA-N 0 0 488.679 3.348 50 0 JGAARN COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2Cl)CC1 ZINC000024528193 556134556 /nfs/dbraw/zinc/13/45/56/556134556.db2.gz LCFSZDRNBXQOQU-YWZLYKJASA-N 0 0 478.376 3.170 50 0 JGAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(OC)c(OC)c1)C2=O ZINC000012916479 556135569 /nfs/dbraw/zinc/13/55/69/556135569.db2.gz AYCZLGYHGFEHAI-UHFFFAOYSA-N 0 0 459.587 3.280 50 0 JGAARN O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000024551763 556135826 /nfs/dbraw/zinc/13/58/26/556135826.db2.gz NDKVZNXDEJSNPS-UHFFFAOYSA-N 0 0 450.451 3.234 50 0 JGAARN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)N2CCOCC2)cc1 ZINC000024573754 556136477 /nfs/dbraw/zinc/13/64/77/556136477.db2.gz GPUUBJYNMPPMPD-JOCHJYFZSA-N 0 0 457.958 3.279 50 0 JGAARN CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)cc2)c1C 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ACOSKUBMXBVKBB-UHFFFAOYSA-N 0 0 485.025 3.414 50 0 JGAARN COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012920314 556138983 /nfs/dbraw/zinc/13/89/83/556138983.db2.gz TYTYVCPVDRZUPJ-KRWDZBQOSA-N 0 0 472.607 3.471 50 0 JGAARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012920242 556139105 /nfs/dbraw/zinc/13/91/05/556139105.db2.gz QXDJBDPKIBSXCP-KRWDZBQOSA-N 0 0 454.596 3.165 50 0 JGAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1OC ZINC000024607422 556139378 /nfs/dbraw/zinc/13/93/78/556139378.db2.gz HCBUAFYMEIFADX-UHFFFAOYSA-N 0 0 481.014 3.258 50 0 biogenic JGAARN COC(=O)c1cc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc(C(=O)OC)c1 ZINC000024608177 556139578 /nfs/dbraw/zinc/13/95/78/556139578.db2.gz SCQIVLUEGZJHPT-UHFFFAOYSA-N 0 0 498.488 3.213 50 0 JGAARN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000024611206 556140954 /nfs/dbraw/zinc/14/09/54/556140954.db2.gz YKQOPPQVQBARKZ-YRNVUSSQSA-N 0 0 481.662 3.394 50 0 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/nfs/dbraw/zinc/14/67/58/556146758.db2.gz CPMYTVXVRICKJC-UHFFFAOYSA-N 0 0 471.355 3.263 50 0 JGAARN O=c1c2ccccc2cnn1CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000012931862 556148189 /nfs/dbraw/zinc/14/81/89/556148189.db2.gz DBBSEHWWBSSYJA-UHFFFAOYSA-N 0 0 486.903 3.033 50 0 JGAARN CCOc1ccc2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc4c(c3)OCCCO4)sc2c1 ZINC000012932012 556148414 /nfs/dbraw/zinc/14/84/14/556148414.db2.gz NHFCAASNECACGR-ZDUSSCGKSA-N 0 0 477.564 3.162 50 0 JGAARN CNC(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cc1 ZINC000024749925 556148624 /nfs/dbraw/zinc/14/86/24/556148624.db2.gz UYDMTYYIAGPWKN-UHFFFAOYSA-N 0 0 498.649 3.392 50 0 JGAARN CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016625710 556148721 /nfs/dbraw/zinc/14/87/21/556148721.db2.gz SUJAHRJENFILIB-UHFFFAOYSA-N 0 0 474.842 3.123 50 0 JGAARN O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Br)cc1Cl ZINC000012933316 556149360 /nfs/dbraw/zinc/14/93/60/556149360.db2.gz FSOCQQXFNBYGBX-UHFFFAOYSA-N 0 0 459.793 3.413 50 0 JGAARN Cc1c(NC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cccc1-n1cnnn1 ZINC000024755309 556150300 /nfs/dbraw/zinc/15/03/00/556150300.db2.gz SLTZFERRNJWGKD-UHFFFAOYSA-N 0 0 485.957 3.358 50 0 JGAARN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 ZINC000012935220 556150516 /nfs/dbraw/zinc/15/05/16/556150516.db2.gz NZNHZHACRRPYNO-UHFFFAOYSA-N 0 0 460.552 3.398 50 0 JGAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)c12 ZINC000024758777 556150967 /nfs/dbraw/zinc/15/09/67/556150967.db2.gz NPXDZBQDUPHMSQ-UHFFFAOYSA-N 0 0 451.508 3.230 50 0 JGAARN CCCCN(C(=O)COC(=O)c1cc(C)n(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000016685130 556151424 /nfs/dbraw/zinc/15/14/24/556151424.db2.gz RYJOHKHTKQBYOB-NRFANRHFSA-N 0 0 460.596 3.126 50 0 JGAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)CNc1ncccn1 ZINC000024761068 556151522 /nfs/dbraw/zinc/15/15/22/556151522.db2.gz OLXLEADPYVQVJZ-CQSZACIVSA-N 0 0 454.508 3.364 50 0 JGAARN CCOC(=O)c1ccc2c(c1)n(CCS(=O)(=O)c1ccc(Br)cc1)c(=O)n2CC ZINC000024761773 556151933 /nfs/dbraw/zinc/15/19/33/556151933.db2.gz OQBSQKJCUGTYHG-UHFFFAOYSA-N 0 0 481.368 3.236 50 0 JGAARN Cc1cc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)ccc1Br ZINC000012937832 556152121 /nfs/dbraw/zinc/15/21/21/556152121.db2.gz ZOCYSGGZNWCIKH-OAQYLSRUSA-N 0 0 492.439 3.084 50 0 JGAARN C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012940903 556154506 /nfs/dbraw/zinc/15/45/06/556154506.db2.gz IJQWICQDFCNXNP-HUUCEWRRSA-N 0 0 490.626 3.316 50 0 JGAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C)CC2)cc1 ZINC000024778144 556155221 /nfs/dbraw/zinc/15/52/21/556155221.db2.gz VJLHTJODGGXROG-UHFFFAOYSA-N 0 0 468.579 3.035 50 0 JGAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000024779378 556155659 /nfs/dbraw/zinc/15/56/59/556155659.db2.gz DIMCLUQNXKGGDR-UHFFFAOYSA-N 0 0 455.580 3.270 50 0 JGAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2cnn(C(C)C)c2n1 ZINC000012943424 556155830 /nfs/dbraw/zinc/15/58/30/556155830.db2.gz DARMLUAIEMEPEX-UHFFFAOYSA-N 0 0 468.004 3.182 50 0 JGAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nc2ccc(Cl)cc21 ZINC000012943409 556155844 /nfs/dbraw/zinc/15/58/44/556155844.db2.gz DMVSURYPOPZGCN-UHFFFAOYSA-N 0 0 487.796 3.390 50 0 JGAARN Cc1ccc(-c2noc(CCCN3CCN(C(=O)CCc4nc(-c5ccncc5)no4)CC3)n2)cc1 ZINC000024822925 556156830 /nfs/dbraw/zinc/15/68/30/556156830.db2.gz AGQWTFZOZXPCEI-UHFFFAOYSA-N 0 0 487.564 3.200 50 0 JGAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)N(C)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000024829469 556157473 /nfs/dbraw/zinc/15/74/73/556157473.db2.gz NUBOFNCTQLUFSO-FQEVSTJZSA-N 0 0 462.959 3.451 50 0 JGAARN COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)cc(OC)c1OC ZINC000016753306 556157483 /nfs/dbraw/zinc/15/74/83/556157483.db2.gz ZRGXQZMRYBJZQQ-LJQANCHMSA-N 0 0 459.882 3.318 50 0 JGAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000024830041 556157717 /nfs/dbraw/zinc/15/77/17/556157717.db2.gz FTPBYEKBXCHDHM-BUHFOSPRSA-N 0 0 469.589 3.319 50 0 JGAARN O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000024831807 556158073 /nfs/dbraw/zinc/15/80/73/556158073.db2.gz ATDFPHKCRAWCMB-FQEVSTJZSA-N 0 0 483.590 3.420 50 0 JGAARN Cc1nn(C[C@@H](O)COCc2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000012947942 556158639 /nfs/dbraw/zinc/15/86/39/556158639.db2.gz WLRVKDIWFSUQKX-OAQYLSRUSA-N 0 0 475.998 3.482 50 0 JGAARN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H](C(CC)CC)N1CCOCC1 ZINC000012948065 556158649 /nfs/dbraw/zinc/15/86/49/556158649.db2.gz VQEDVWUMXPNHEE-QGZVFWFLSA-N 0 0 463.438 3.263 50 0 JGAARN O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1 ZINC000012949730 556159562 /nfs/dbraw/zinc/15/95/62/556159562.db2.gz XKNCFQGEEUACPQ-DHIUTWEWSA-N 0 0 463.603 3.279 50 0 JGAARN CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000024918750 556163101 /nfs/dbraw/zinc/16/31/01/556163101.db2.gz LLTNIOIDEUGLKP-UHFFFAOYSA-N 0 0 474.583 3.279 50 0 JGAARN C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000024923765 556163482 /nfs/dbraw/zinc/16/34/82/556163482.db2.gz QOFMLPAYTOCUHG-CJFMBICVSA-N 0 0 484.556 3.267 50 0 JGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000012972054 556163653 /nfs/dbraw/zinc/16/36/53/556163653.db2.gz GLNJBNQTCHUASQ-GOSISDBHSA-N 0 0 450.601 3.119 50 0 JGAARN COc1ccccc1N1CCN(c2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)CC1 ZINC000016843710 556165665 /nfs/dbraw/zinc/16/56/65/556165665.db2.gz OBUWGRRCSLRYIJ-UHFFFAOYSA-N 0 0 458.971 3.439 50 0 JGAARN COc1ccc(CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(OC)c1 ZINC000012974074 556165778 /nfs/dbraw/zinc/16/57/78/556165778.db2.gz HHEMPTRURNMRLC-UHFFFAOYSA-N 0 0 465.472 3.048 50 0 JGAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000012974401 556166057 /nfs/dbraw/zinc/16/60/57/556166057.db2.gz ZGFHOIBFNSYQBU-MOPGFXCFSA-N 0 0 482.071 3.443 50 0 JGAARN 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COc1ccc(C(=O)N2CCC([C@@H](NC(=O)c3ccccc3C)C(=O)NCC(C)C)CC2)cc1 ZINC000036208586 523623885 /nfs/dbraw/zinc/62/38/85/523623885.db2.gz OQKICNRMBOKOLV-XMMPIXPASA-N 0 0 465.594 3.427 50 0 JGAARN COc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000040150177 523624679 /nfs/dbraw/zinc/62/46/79/523624679.db2.gz VYTJTOACIQVWQZ-UHFFFAOYSA-N 0 0 457.596 3.221 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)N3CCCCC3)CC2)cc1 ZINC000036208937 523625819 /nfs/dbraw/zinc/62/58/19/523625819.db2.gz RHJOMJKOWORNLC-QFIPXVFZSA-N 0 0 469.607 3.420 50 0 JGAARN COc1ccc(C(=O)N2CCC([C@H](NC(=O)c3cccs3)C(=O)NCC(C)C)CC2)cc1 ZINC000036209195 523627497 /nfs/dbraw/zinc/62/74/97/523627497.db2.gz DXJSMRNQLMLUNO-NRFANRHFSA-N 0 0 457.596 3.180 50 0 JGAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)C1CC1 ZINC000036117622 523648861 /nfs/dbraw/zinc/64/88/61/523648861.db2.gz HKRHALFPYPRYDF-IBGZPJMESA-N 0 0 458.580 3.147 50 0 JGAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c(OC)c1 ZINC000023335662 523649336 /nfs/dbraw/zinc/64/93/36/523649336.db2.gz ZTJJDQYENLCMEC-UHFFFAOYSA-N 0 0 464.497 3.453 50 0 JGAARN COCCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1F)C(=O)NCc1ccccc1 ZINC000035471530 523650678 /nfs/dbraw/zinc/65/06/78/523650678.db2.gz WYPWNBLQUQSLBT-RUZDIDTESA-N 0 0 464.541 3.417 50 0 JGAARN COCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)NCc1ccccc1 ZINC000035471528 523651530 /nfs/dbraw/zinc/65/15/30/523651530.db2.gz WYPWNBLQUQSLBT-VWLOTQADSA-N 0 0 464.541 3.417 50 0 JGAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(=O)COC ZINC000036061036 523656449 /nfs/dbraw/zinc/65/64/49/523656449.db2.gz CAFZPAWKZYJACL-UHFFFAOYSA-N 0 0 480.565 3.225 50 0 JGAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccn3)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000036059220 523667836 /nfs/dbraw/zinc/66/78/36/523667836.db2.gz BHNUBEQEBGFRIX-DNQXCXABSA-N 0 0 475.545 3.280 50 0 JGAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(F)cc1Cl ZINC000035374095 523671719 /nfs/dbraw/zinc/67/17/19/523671719.db2.gz KKGPYTJEUSQYAX-UHFFFAOYSA-N 0 0 469.904 3.168 50 0 JGAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c21 ZINC000033299108 523674211 /nfs/dbraw/zinc/67/42/11/523674211.db2.gz XIGXTGGGONTESB-UHFFFAOYSA-N 0 0 450.562 3.464 50 0 JGAARN COc1ccc(C(=O)NC(=O)COC(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000032933360 523679554 /nfs/dbraw/zinc/67/95/54/523679554.db2.gz IXVZXXGGTNSQRY-MRXNPFEDSA-N 0 0 485.846 3.231 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000036210131 523717404 /nfs/dbraw/zinc/71/74/04/523717404.db2.gz LIXHBYKPAMATPZ-XMMPIXPASA-N 0 0 481.568 3.498 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000036210125 523717899 /nfs/dbraw/zinc/71/78/99/523717899.db2.gz JUBJFESDEMMPRV-XMMPIXPASA-N 0 0 463.578 3.359 50 0 JGAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000036210188 523718003 /nfs/dbraw/zinc/71/80/03/523718003.db2.gz BBNGFHCADIRPOK-OAQYLSRUSA-N 0 0 457.596 3.180 50 0 JGAARN 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Nc1nc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000008883133 554777928 /nfs/dbraw/zinc/77/79/28/554777928.db2.gz WWKQKYAILWETAG-UHFFFAOYSA-N 0 0 469.480 3.332 50 0 JGAARN COC(=O)CCn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000008884003 554778698 /nfs/dbraw/zinc/77/86/98/554778698.db2.gz XNPNSEFJKHHWIE-NRFANRHFSA-N 0 0 451.548 3.415 50 0 JGAARN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCNC1=O ZINC000008885507 554779061 /nfs/dbraw/zinc/77/90/61/554779061.db2.gz AQJKSFDVJJGFGE-UHFFFAOYSA-N 0 0 458.927 3.000 50 0 JGAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 ZINC000008900383 554792609 /nfs/dbraw/zinc/79/26/09/554792609.db2.gz NQQIDSXQQWZEEE-INIZCTEOSA-N 0 0 496.568 3.099 50 0 JGAARN CC(C)CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000008900985 554793979 /nfs/dbraw/zinc/79/39/79/554793979.db2.gz FHDMWNUOAJPZOU-HNNXBMFYSA-N 0 0 454.643 3.105 50 0 JGAARN CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000008901942 554795692 /nfs/dbraw/zinc/79/56/92/554795692.db2.gz YJKASTXDIVMKPG-UHFFFAOYSA-N 0 0 487.622 3.278 50 0 JGAARN O=C(CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)s1)Nc1ccc(F)cc1 ZINC000008904147 554798601 /nfs/dbraw/zinc/79/86/01/554798601.db2.gz SPJAFUZSUWEUTP-CYBMUJFWSA-N 0 0 471.539 3.400 50 0 JGAARN O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000008912143 554801887 /nfs/dbraw/zinc/80/18/87/554801887.db2.gz WJTYOZDPCHHLAG-FQEVSTJZSA-N 0 0 457.509 3.467 50 0 JGAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2cccnc2)s1 ZINC000008912495 554802947 /nfs/dbraw/zinc/80/29/47/554802947.db2.gz YZNBLKHLPSSRLS-UHFFFAOYSA-N 0 0 451.595 3.475 50 0 JGAARN CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccn2)s1 ZINC000008912496 554802971 /nfs/dbraw/zinc/80/29/71/554802971.db2.gz PMJULBYOEVEETO-UHFFFAOYSA-N 0 0 451.595 3.475 50 0 JGAARN COc1ccc(CNC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)cc1OC ZINC000008912659 554803254 /nfs/dbraw/zinc/80/32/54/554803254.db2.gz JKOKXFSIEPWHIG-UHFFFAOYSA-N 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CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008936501 554830497 /nfs/dbraw/zinc/83/04/97/554830497.db2.gz WTIMCOSDSQAUNV-HNNXBMFYSA-N 0 0 458.588 3.278 50 0 JGAARN CSCCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccccc1 ZINC000008938026 554830991 /nfs/dbraw/zinc/83/09/91/554830991.db2.gz DETFKYBQTOOGCE-UHFFFAOYSA-N 0 0 490.676 3.469 50 0 JGAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnnn2-c2ccccc2C)c1 ZINC000008942624 554832111 /nfs/dbraw/zinc/83/21/11/554832111.db2.gz AERPOLCSFNUEBC-UHFFFAOYSA-N 0 0 495.030 3.385 50 0 JGAARN C[C@@H](NC(=O)Cn1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)c1=O)c1ccc2c(c1)OCO2 ZINC000008943282 554832382 /nfs/dbraw/zinc/83/23/82/554832382.db2.gz MPEFIGCFRQOGBB-MRXNPFEDSA-N 0 0 491.931 3.471 50 0 JGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)C(=O)[C@]31C ZINC000008951816 554834922 /nfs/dbraw/zinc/83/49/22/554834922.db2.gz FBNICBOQSVVXBF-FZGANJODSA-N 0 0 452.555 3.295 50 0 biogenic JGAARN 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COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1cc(C)cc2oc(=O)cc(C)c12 ZINC000009034050 554868264 /nfs/dbraw/zinc/86/82/64/554868264.db2.gz VQHFDKMOUWWBPK-FQEVSTJZSA-N 0 0 460.486 3.396 50 0 biogenic JGAARN CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009035997 554868782 /nfs/dbraw/zinc/86/87/82/554868782.db2.gz FRJXUQOPZLQHOX-CQSZACIVSA-N 0 0 453.358 3.179 50 0 JGAARN Cc1c(C)c2c(OCC(=O)N3CCN(c4ncccn4)CC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000009047331 554870713 /nfs/dbraw/zinc/87/07/13/554870713.db2.gz MYCHXTNVRGCOGV-UHFFFAOYSA-N 0 0 478.549 3.031 50 0 JGAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000009048011 554871012 /nfs/dbraw/zinc/87/10/12/554871012.db2.gz DZVYQCUSRJNLCS-UHFFFAOYSA-N 0 0 458.470 3.416 50 0 biogenic JGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000009048012 554871046 /nfs/dbraw/zinc/87/10/46/554871046.db2.gz SXSWKOPCQYAECP-HSZRJFAPSA-N 0 0 498.626 3.341 50 0 JGAARN CC(C)(C)c1ccc(OCC(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)cc1 ZINC000009048670 554871221 /nfs/dbraw/zinc/87/12/21/554871221.db2.gz DZXVMVYYXYZADM-FQEVSTJZSA-N 0 0 465.612 3.255 50 0 JGAARN NC(=O)c1ccc(-c2nnn(CC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)n2)cc1 ZINC000009051765 554872493 /nfs/dbraw/zinc/87/24/93/554872493.db2.gz IQAKKBWTLPHHTC-LJQANCHMSA-N 0 0 475.896 3.063 50 0 JGAARN COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000009056221 554874333 /nfs/dbraw/zinc/87/43/33/554874333.db2.gz CXVYGCSPTJDOKN-QGZVFWFLSA-N 0 0 473.576 3.053 50 0 JGAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(S(N)(=O)=O)cc1 ZINC000009057581 554876715 /nfs/dbraw/zinc/87/67/15/554876715.db2.gz LKUQBLHZWFJXSA-UHFFFAOYSA-N 0 0 458.503 3.056 50 0 JGAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 ZINC000009076109 554887411 /nfs/dbraw/zinc/88/74/11/554887411.db2.gz LBWXMDZQZRGLJI-FQEVSTJZSA-N 0 0 453.564 3.252 50 0 JGAARN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)Nc1ccccc1C 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CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCc1cc(C)c(O)c(C)c1 ZINC000009119546 554910869 /nfs/dbraw/zinc/91/08/69/554910869.db2.gz LQHZKDKSRKAWDC-UHFFFAOYSA-N 0 0 476.624 3.215 50 0 JGAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000009119644 554911133 /nfs/dbraw/zinc/91/11/33/554911133.db2.gz FEAYEPZECJTFTQ-UHFFFAOYSA-N 0 0 459.454 3.413 50 0 JGAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O ZINC000009119841 554911540 /nfs/dbraw/zinc/91/15/40/554911540.db2.gz OSTQNFDBMWBCGJ-UHFFFAOYSA-N 0 0 488.629 3.058 50 0 JGAARN Cc1nc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000009120528 554913686 /nfs/dbraw/zinc/91/36/86/554913686.db2.gz YBWNIPSGTYXXGJ-KRWDZBQOSA-N 0 0 459.549 3.168 50 0 JGAARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(S(N)(=O)=O)c3)c2)c1 ZINC000009120739 554914166 /nfs/dbraw/zinc/91/41/66/554914166.db2.gz FFEBAUPZRKIUHE-UHFFFAOYSA-N 0 0 459.549 3.004 50 0 JGAARN 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CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(OC)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987824 569743553 /nfs/dbraw/zinc/74/35/53/569743553.db2.gz JFQUTOMZRHFAIN-HYBUGGRVSA-N 0 0 493.604 3.392 50 0 JGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC(C)C)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987745 569743557 /nfs/dbraw/zinc/74/35/57/569743557.db2.gz RLWMOHGZAIHJAL-JOCHJYFZSA-N 0 0 467.541 3.132 50 0 JGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 ZINC000035987810 569743558 /nfs/dbraw/zinc/74/35/58/569743558.db2.gz NKFRHVKLSAFGES-NRFANRHFSA-N 0 0 467.566 3.110 50 0 JGAARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000096923357 569743751 /nfs/dbraw/zinc/74/37/51/569743751.db2.gz GJMBIKZGNKONDG-AWEZNQCLSA-N 0 0 469.636 3.090 50 0 JGAARN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)C=Cc3cccc4cccnc34)CC2)c(F)c1 ZINC000096941208 569743831 /nfs/dbraw/zinc/74/38/31/569743831.db2.gz PNXDYSMLLOBETF-NTMALXAHSA-N 0 0 461.493 3.482 50 0 JGAARN COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCc3ccc4c(c3)OCO4)no2)cc1 ZINC000035989272 569743861 /nfs/dbraw/zinc/74/38/61/569743861.db2.gz PTRKBXGHVGPRHK-HXUWFJFHSA-N 0 0 463.490 3.390 50 0 JGAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)cc1 ZINC000096936056 569743893 /nfs/dbraw/zinc/74/38/93/569743893.db2.gz NUESDDCDMUDCPS-IEODJVTJSA-N 0 0 457.534 3.407 50 0 JGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990055 569743953 /nfs/dbraw/zinc/74/39/53/569743953.db2.gz VLFHEBBKPPQXBD-HSZRJFAPSA-N 0 0 497.567 3.080 50 0 JGAARN Cc1c(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cnn1-c1cccc(Cl)c1 ZINC000097001681 569744057 /nfs/dbraw/zinc/74/40/57/569744057.db2.gz BAYDPHSPVFGXFC-UHFFFAOYSA-N 0 0 469.948 3.161 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991377 569744554 /nfs/dbraw/zinc/74/45/54/569744554.db2.gz ROJMJOZNMVONTM-HXUWFJFHSA-N 0 0 483.396 3.061 50 0 JGAARN O=C(c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000097161362 569744698 /nfs/dbraw/zinc/74/46/98/569744698.db2.gz ZEUWEAXMAMZSRW-IBGZPJMESA-N 0 0 487.894 3.079 50 0 JGAARN CCc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097161422 569744730 /nfs/dbraw/zinc/74/47/30/569744730.db2.gz YYWJGJWGFKSMNR-QHCPKHFHSA-N 0 0 459.550 3.019 50 0 JGAARN COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NC5CCC(C)CC5)CC4)c3CO2)cc1 ZINC000097161435 569744748 /nfs/dbraw/zinc/74/47/48/569744748.db2.gz QNYNBNPQUXHUQV-VBVCHWQCSA-N 0 0 481.597 3.105 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992197 569744843 /nfs/dbraw/zinc/74/48/43/569744843.db2.gz DSNIMNJESWUUAL-KOSHJBKYSA-N 0 0 488.604 3.308 50 0 JGAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CC4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000035993065 569745172 /nfs/dbraw/zinc/74/51/72/569745172.db2.gz RXJBAIZPRABJHZ-UHFFFAOYSA-N 0 0 476.577 3.242 50 0 JGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)CC(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993404 569745313 /nfs/dbraw/zinc/74/53/13/569745313.db2.gz JYIKEXCUYSKJSZ-DEOSSOPVSA-N 0 0 470.614 3.089 50 0 JGAARN O=C(CN1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000097527634 569745377 /nfs/dbraw/zinc/74/53/77/569745377.db2.gz GXMBJIFQLUJAJS-UHFFFAOYSA-N 0 0 481.906 3.407 50 0 JGAARN COc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(C/C=C\c2ccccc2)c4=O)c(OC)c1 ZINC000097568702 569745514 /nfs/dbraw/zinc/74/55/14/569745514.db2.gz BFXRVMXWVYEWAN-IBWPDUFMSA-N 0 0 487.560 3.415 50 0 JGAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044708 569755166 /nfs/dbraw/zinc/75/51/66/569755166.db2.gz PEVOLRZELWFDJN-ZWKOTPCHSA-N 0 0 451.633 3.173 50 0 JGAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000097654846 569745636 /nfs/dbraw/zinc/74/56/36/569745636.db2.gz GZOHBCHQFXZJMA-RCCKNPSSSA-N 0 0 487.472 3.290 50 0 JGAARN COc1ccccc1-c1cc(C(=O)N2CCCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)no1 ZINC000036001423 569745916 /nfs/dbraw/zinc/74/59/16/569745916.db2.gz OQOMUQDLQFYTCS-IBGZPJMESA-N 0 0 463.490 3.390 50 0 JGAARN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)C[C@H]3CCCO3)no2)cc1 ZINC000036001381 569745968 /nfs/dbraw/zinc/74/59/68/569745968.db2.gz QWWFVWADYWGMJZ-JOCHJYFZSA-N 0 0 478.549 3.115 50 0 JGAARN Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)CC2)c(C)c1 ZINC000097943525 569746164 /nfs/dbraw/zinc/74/61/64/569746164.db2.gz SZAMXPMOWWRIOE-JOCHJYFZSA-N 0 0 479.968 3.418 50 0 JGAARN Cc1cccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)CC2)c1 ZINC000097943549 569746277 /nfs/dbraw/zinc/74/62/77/569746277.db2.gz YGXZUMYOVMILPX-OAQYLSRUSA-N 0 0 465.941 3.110 50 0 JGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)N[C@@H](C)c5ccccc5)CC4)c3CO2)cc1 ZINC000097943673 569746369 /nfs/dbraw/zinc/74/63/69/569746369.db2.gz WRWGGTKEPCMMJF-UUOWRZLLSA-N 0 0 489.576 3.288 50 0 JGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)N[C@H](C)c5ccccc5)CC4)c3CO2)cc1 ZINC000097943674 569746381 /nfs/dbraw/zinc/74/63/81/569746381.db2.gz WRWGGTKEPCMMJF-KOSHJBKYSA-N 0 0 489.576 3.288 50 0 JGAARN COc1ccc(CNC(=O)C2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccc(C)cc3)C4)CC2)cc1 ZINC000097943716 569746437 /nfs/dbraw/zinc/74/64/37/569746437.db2.gz ZJNQUOASFJOKQT-XMMPIXPASA-N 0 0 489.576 3.035 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccc(F)cc5F)CC4)c3CO2)cc1 ZINC000097943721 569746447 /nfs/dbraw/zinc/74/64/47/569746447.db2.gz RFODQHPADMTEGY-QHCPKHFHSA-N 0 0 495.530 3.305 50 0 JGAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccccc5F)CC4)c3CO2)cc1 ZINC000097943718 569746495 /nfs/dbraw/zinc/74/64/95/569746495.db2.gz RBCKHEVDSKVTIU-HSZRJFAPSA-N 0 0 477.540 3.166 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC5CCCCC5)CC4)c3CO2)cc1 ZINC000097943755 569746545 /nfs/dbraw/zinc/74/65/45/569746545.db2.gz ZFYYCGUCTLUSLD-QHCPKHFHSA-N 0 0 465.598 3.407 50 0 JGAARN Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5cccc(F)c5)CC4)c3CO2)cc1 ZINC000097943782 569746567 /nfs/dbraw/zinc/74/65/67/569746567.db2.gz FWIMOHHKCRQYKR-HSZRJFAPSA-N 0 0 477.540 3.166 50 0 JGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003309 569746613 /nfs/dbraw/zinc/74/66/13/569746613.db2.gz JRKHREPVVILVQT-QFIPXVFZSA-N 0 0 485.629 3.024 50 0 JGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCc5ccccc5C)CC4)c3CO2)cc1 ZINC000097943757 569746619 /nfs/dbraw/zinc/74/66/19/569746619.db2.gz JUPMKBKLDCTZFC-DEOSSOPVSA-N 0 0 473.577 3.335 50 0 JGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003251 569746644 /nfs/dbraw/zinc/74/66/44/569746644.db2.gz YVNIWXUKPHQVMQ-DEOSSOPVSA-N 0 0 482.625 3.233 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000036005200 569746951 /nfs/dbraw/zinc/74/69/51/569746951.db2.gz DNLUPWCQSCMMCF-KOSHJBKYSA-N 0 0 484.641 3.440 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000036005222 569746960 /nfs/dbraw/zinc/74/69/60/569746960.db2.gz DUSWWORESYRVLS-HXUWFJFHSA-N 0 0 483.396 3.061 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000036005385 569747037 /nfs/dbraw/zinc/74/70/37/569747037.db2.gz GYMBMENVLNDNBD-HSZRJFAPSA-N 0 0 499.656 3.233 50 0 JGAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(C(C)(C)C)cc3)NC(=O)N2C)CC1 ZINC000036005387 569747040 /nfs/dbraw/zinc/74/70/40/569747040.db2.gz DBWHMRBNRPCXFI-QHCPKHFHSA-N 0 0 499.656 3.235 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1Cl ZINC000036005321 569747128 /nfs/dbraw/zinc/74/71/28/569747128.db2.gz QFEJZJUYTUOKNX-VGSWGCGISA-N 0 0 491.032 3.432 50 0 JGAARN CC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)Cc1ccc(F)cc1 ZINC000036005752 569747226 /nfs/dbraw/zinc/74/72/26/569747226.db2.gz OWDUQHFMQVNPOY-UHFFFAOYSA-N 0 0 469.561 3.053 50 0 JGAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(C(=O)c3ccccc3)C(C)C)cc2)CC1 ZINC000036005738 569747231 /nfs/dbraw/zinc/74/72/31/569747231.db2.gz KGYWAPKZRAASCP-UHFFFAOYSA-N 0 0 465.598 3.416 50 0 JGAARN CCNC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(C)C ZINC000036013576 569748603 /nfs/dbraw/zinc/74/86/03/569748603.db2.gz NPPZMKIXJGWVGX-UHFFFAOYSA-N 0 0 481.597 3.036 50 0 JGAARN CCCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1)C(=O)CC ZINC000036013558 569748634 /nfs/dbraw/zinc/74/86/34/569748634.db2.gz PXROXTSUXWTFHX-UHFFFAOYSA-N 0 0 457.619 3.438 50 0 JGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013861 569748705 /nfs/dbraw/zinc/74/87/05/569748705.db2.gz XRDDANKNNCMLGV-QFIPXVFZSA-N 0 0 491.032 3.434 50 0 JGAARN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000097998112 569749089 /nfs/dbraw/zinc/74/90/89/569749089.db2.gz UFZDNNXVPJKTTC-SFQUDFHCSA-N 0 0 477.464 3.288 50 0 JGAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)C[C@H]3CCCO3)no2)c1 ZINC000036015318 569749114 /nfs/dbraw/zinc/74/91/14/569749114.db2.gz VDIJFQGULUWOMK-LJQANCHMSA-N 0 0 471.554 3.383 50 0 JGAARN CCOC(=O)C1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3cc(C)ccc3C)on2)CC1 ZINC000036015407 569749123 /nfs/dbraw/zinc/74/91/23/569749123.db2.gz PEQKRYZVILVDQW-UHFFFAOYSA-N 0 0 485.581 3.239 50 0 JGAARN COCCN(CCC(=O)NCCc1ccccn1)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015373 569749175 /nfs/dbraw/zinc/74/91/75/569749175.db2.gz BIHMMGUMNANBJA-UHFFFAOYSA-N 0 0 450.539 3.191 50 0 JGAARN CC(C)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)C(=O)C1CCC1 ZINC000036016485 569749219 /nfs/dbraw/zinc/74/92/19/569749219.db2.gz ANLZOFSESLLCFY-UHFFFAOYSA-N 0 0 457.619 3.292 50 0 JGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036017343 569749449 /nfs/dbraw/zinc/74/94/49/569749449.db2.gz NKCHOPGDSLNULQ-QHCPKHFHSA-N 0 0 499.656 3.333 50 0 JGAARN CCOCCCN(CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C)S(=O)(=O)c1ccc(F)cc1 ZINC000036019025 569749659 /nfs/dbraw/zinc/74/96/59/569749659.db2.gz VZQBNBUSOQQQMO-UHFFFAOYSA-N 0 0 482.574 3.351 50 0 JGAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C4CCC4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019295 569749757 /nfs/dbraw/zinc/74/97/57/569749757.db2.gz GYIYDAAWRWEDKW-UHFFFAOYSA-N 0 0 490.604 3.168 50 0 JGAARN CC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019200 569749771 /nfs/dbraw/zinc/74/97/71/569749771.db2.gz ZCIXXCOOEXKLJG-UHFFFAOYSA-N 0 0 454.546 3.409 50 0 JGAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000036019717 569750069 /nfs/dbraw/zinc/75/00/69/569750069.db2.gz OZALQJYYFMIJLY-UHFFFAOYSA-N 0 0 466.929 3.479 50 0 JGAARN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000036021671 569750165 /nfs/dbraw/zinc/75/01/65/569750165.db2.gz YSQIJPYAPRHOHZ-UHFFFAOYSA-N 0 0 499.461 3.480 50 0 JGAARN CC[C@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036024464 569750349 /nfs/dbraw/zinc/75/03/49/569750349.db2.gz UDTAENXALTUCRD-JTSKRJEESA-N 0 0 477.577 3.492 50 0 JGAARN Cc1cccc(NC(=S)N2CCC3(CC2)N[C@H](C)C(=O)N3Cc2ccc3c(c2)OCO3)c1 ZINC000036024429 569750419 /nfs/dbraw/zinc/75/04/19/569750419.db2.gz RBBNYDDUASZGEF-QGZVFWFLSA-N 0 0 452.580 3.233 50 0 JGAARN CC[C@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(CCCOC)C1=O ZINC000036028155 569751075 /nfs/dbraw/zinc/75/10/75/569751075.db2.gz KILZUEGJIJOANA-HNAYVOBHSA-N 0 0 492.469 3.357 50 0 JGAARN COCC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000036030094 569751511 /nfs/dbraw/zinc/75/15/11/569751511.db2.gz KTTGYCZRHMSAPG-UHFFFAOYSA-N 0 0 459.568 3.281 50 0 JGAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)C(=O)c1ccc(C)cc1 ZINC000036030272 569751564 /nfs/dbraw/zinc/75/15/64/569751564.db2.gz UUJNQPMPNMGFCK-UHFFFAOYSA-N 0 0 485.606 3.101 50 0 JGAARN COCCn1c(CN(CC(C)C)C(=O)NC(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000036031540 569751980 /nfs/dbraw/zinc/75/19/80/569751980.db2.gz XJUXFQPYLTVZRM-UHFFFAOYSA-N 0 0 480.631 3.088 50 0 JGAARN COCCn1c(CN(CC2CC2)C(=O)NC(C)(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036040519 569753139 /nfs/dbraw/zinc/75/31/39/569753139.db2.gz UWUBOQHWHCUBBV-UHFFFAOYSA-N 0 0 480.606 3.363 50 0 JGAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c(=N)n(Cc3ccco3)c2=O)CC(C)(C)OC4)cc1 ZINC000100155430 569754258 /nfs/dbraw/zinc/75/42/58/569754258.db2.gz WZMKFBMETYYVMA-UHFFFAOYSA-N 0 0 494.573 3.484 50 0 JGAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044153 569754884 /nfs/dbraw/zinc/75/48/84/569754884.db2.gz PUMGOSLZLONKGH-WOJBJXKFSA-N 0 0 490.984 3.374 50 0 JGAARN COc1cc([C@@H]2CN(C(=S)NC(C)C)C[C@@H]2C(=O)NCCC(C)C)cc(OC)c1OC ZINC000036044709 569755170 /nfs/dbraw/zinc/75/51/70/569755170.db2.gz PEVOLRZELWFDJN-ROUUACIJSA-N 0 0 451.633 3.173 50 0 JGAARN CCOc1ccc(NC2CCN([C@@H]3CC(=O)N(c4ccc(C(=O)OC)cc4)C3=O)CC2)cc1 ZINC000100209933 569755519 /nfs/dbraw/zinc/75/55/19/569755519.db2.gz DMOBRLCLFXRDPZ-JOCHJYFZSA-N 0 0 451.523 3.080 50 0 JGAARN 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